NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
579245 |
2met   |
19531 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2met
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 567
_Distance_constraint_stats_list.Viol_count 701
_Distance_constraint_stats_list.Viol_total 2697.997
_Distance_constraint_stats_list.Viol_max 2.451
_Distance_constraint_stats_list.Viol_rms 0.2571
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0476
_Distance_constraint_stats_list.Viol_average_violations_only 0.3849
_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 GLU 0.000 0.000 5 0 "[ . 1]"
1 2 LYS 0.000 0.000 . 0 "[ . 1]"
1 3 THR 38.594 2.451 10 10 [*******-*+]
1 4 ASN 17.858 1.867 2 10 [*+*******-]
1 5 LEU 22.163 2.451 10 10 [*******-*+]
1 6 GLU 20.043 1.387 4 10 [***+*-****]
1 7 ILE 9.371 0.756 2 10 [*+***-****]
1 8 ILE 0.014 0.014 9 0 "[ . 1]"
1 9 ILE 6.130 0.420 2 0 "[ . 1]"
1 10 LEU 18.546 1.381 4 10 [**-+******]
1 11 GLU 1.196 0.110 4 0 "[ . 1]"
1 12 GLY 0.000 0.000 . 0 "[ . 1]"
1 13 THR 0.000 0.000 . 0 "[ . 1]"
1 14 ALA 32.017 1.720 9 10 [****-***+*]
1 15 VAL 0.349 0.041 7 0 "[ . 1]"
1 16 ILE 0.004 0.004 3 0 "[ . 1]"
1 17 ALA 0.023 0.011 2 0 "[ . 1]"
1 18 MET 0.221 0.041 7 0 "[ . 1]"
1 19 PHE 0.080 0.058 5 0 "[ . 1]"
1 20 PHE 0.895 0.182 4 0 "[ . 1]"
1 22 LEU 0.408 0.211 7 0 "[ . 1]"
1 23 LEU 0.959 0.182 4 0 "[ . 1]"
1 24 LEU 0.004 0.004 5 0 "[ . 1]"
1 25 VAL 0.002 0.002 10 0 "[ . 1]"
1 26 ILE 0.068 0.021 6 0 "[ . 1]"
1 27 ILE 0.000 0.000 . 0 "[ . 1]"
1 28 LEU 0.016 0.006 9 0 "[ . 1]"
1 29 ARG 0.001 0.001 1 0 "[ . 1]"
1 30 THR 3.019 0.301 8 0 "[ . 1]"
1 31 VAL 2.910 0.301 8 0 "[ . 1]"
1 32 LYS 0.000 0.000 . 0 "[ . 1]"
1 33 ARG 0.991 0.069 6 0 "[ . 1]"
1 34 ALA 0.454 0.067 1 0 "[ . 1]"
1 35 ASN 0.000 0.000 . 0 "[ . 1]"
2 1 GLU 0.002 0.002 5 0 "[ . 1]"
2 2 LYS 0.000 0.000 . 0 "[ . 1]"
2 3 THR 38.649 2.450 10 10 [*******-*+]
2 4 ASN 17.886 1.868 2 10 [*+*-******]
2 5 LEU 22.217 2.450 10 10 [*******-*+]
2 6 GLU 19.995 1.386 4 10 [***+*-****]
2 7 ILE 9.464 0.761 2 10 [*+*-******]
2 8 ILE 0.014 0.014 9 0 "[ . 1]"
2 9 ILE 6.139 0.420 2 0 "[ . 1]"
2 10 LEU 18.558 1.387 4 10 [**-+******]
2 11 GLU 1.202 0.110 4 0 "[ . 1]"
2 12 GLY 0.000 0.000 . 0 "[ . 1]"
2 13 THR 0.000 0.000 . 0 "[ . 1]"
2 14 ALA 32.014 1.720 9 10 [****-***+*]
2 15 VAL 0.314 0.029 3 0 "[ . 1]"
2 16 ILE 0.000 0.000 . 0 "[ . 1]"
2 17 ALA 0.024 0.011 2 0 "[ . 1]"
2 18 MET 0.196 0.029 3 0 "[ . 1]"
2 19 PHE 0.268 0.129 7 0 "[ . 1]"
2 20 PHE 0.967 0.305 3 0 "[ . 1]"
2 22 LEU 0.076 0.058 5 0 "[ . 1]"
2 23 LEU 1.030 0.305 3 0 "[ . 1]"
2 24 LEU 0.004 0.002 7 0 "[ . 1]"
2 25 VAL 0.001 0.001 1 0 "[ . 1]"
2 26 ILE 0.073 0.027 6 0 "[ . 1]"
2 27 ILE 0.001 0.001 3 0 "[ . 1]"
2 28 LEU 0.020 0.006 9 0 "[ . 1]"
2 29 ARG 0.002 0.002 1 0 "[ . 1]"
2 30 THR 3.025 0.302 8 0 "[ . 1]"
2 31 VAL 2.924 0.302 8 0 "[ . 1]"
2 32 LYS 0.000 0.000 . 0 "[ . 1]"
2 33 ARG 0.996 0.067 6 0 "[ . 1]"
2 34 ALA 0.469 0.067 1 0 "[ . 1]"
2 35 ASN 0.000 0.000 . 0 "[ . 1]"
3 1 GLU 0.001 0.001 5 0 "[ . 1]"
3 2 LYS 0.000 0.000 . 0 "[ . 1]"
3 3 THR 38.653 2.450 4 10 [***+***-**]
3 4 ASN 17.890 1.868 2 10 [*+*-******]
3 5 LEU 22.220 2.450 4 10 [***+***-**]
3 6 GLU 20.021 1.381 4 10 [***+******]
3 7 ILE 9.500 0.760 2 10 [*+***-****]
3 8 ILE 0.013 0.013 9 0 "[ . 1]"
3 9 ILE 6.143 0.419 2 0 "[ . 1]"
3 10 LEU 18.614 1.386 4 10 [**-+******]
3 11 GLU 1.214 0.111 7 0 "[ . 1]"
3 12 GLY 0.000 0.000 . 0 "[ . 1]"
3 13 THR 0.000 0.000 . 0 "[ . 1]"
3 14 ALA 31.984 1.719 9 10 [****-***+*]
3 15 VAL 0.306 0.032 7 0 "[ . 1]"
3 16 ILE 0.000 0.000 3 0 "[ . 1]"
3 17 ALA 0.023 0.010 5 0 "[ . 1]"
3 18 MET 0.198 0.032 7 0 "[ . 1]"
3 19 PHE 0.406 0.211 7 0 "[ . 1]"
3 20 PHE 1.222 0.345 3 0 "[ . 1]"
3 22 LEU 0.268 0.129 7 0 "[ . 1]"
3 23 LEU 1.281 0.345 3 0 "[ . 1]"
3 24 LEU 0.001 0.001 4 0 "[ . 1]"
3 25 VAL 0.000 0.000 . 0 "[ . 1]"
3 26 ILE 0.067 0.023 6 0 "[ . 1]"
3 27 ILE 0.008 0.006 1 0 "[ . 1]"
3 28 LEU 0.012 0.005 9 0 "[ . 1]"
3 29 ARG 0.000 0.000 . 0 "[ . 1]"
3 30 THR 3.019 0.302 8 0 "[ . 1]"
3 31 VAL 2.922 0.302 8 0 "[ . 1]"
3 32 LYS 0.000 0.000 . 0 "[ . 1]"
3 33 ARG 0.989 0.067 6 0 "[ . 1]"
3 34 ALA 0.465 0.066 1 0 "[ . 1]"
3 35 ASN 0.000 0.000 . 0 "[ . 1]"
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 GLU HA 1 4 ASN QB . . 3.600 3.435 3.156 3.600 0.000 5 0 "[ . 1]" 1
2 1 2 LYS H 1 3 THR H . . 3.300 2.476 2.351 2.637 . 0 0 "[ . 1]" 1
3 1 3 THR H 1 4 ASN H . . 3.000 2.830 2.624 2.871 . 0 0 "[ . 1]" 1
4 1 3 THR HA 1 4 ASN QB . . 3.500 5.161 5.091 5.367 1.867 2 10 [*+*******-] 1
5 1 3 THR HA 1 6 GLU H . . 3.500 3.337 3.301 3.425 . 0 0 "[ . 1]" 1
6 1 3 THR HA 1 6 GLU QB . . 3.300 3.180 3.157 3.255 . 0 0 "[ . 1]" 1
7 1 3 THR HB 1 5 LEU H . . 3.600 5.797 5.028 6.051 2.451 10 10 [*******-*+] 1
8 1 3 THR MG 1 7 ILE MD . . 2.900 2.606 2.355 2.910 0.010 5 0 "[ . 1]" 1
9 1 3 THR MG 1 7 ILE HG13 . . 3.400 3.239 2.906 3.348 . 0 0 "[ . 1]" 1
10 1 4 ASN H 1 5 LEU H . . 3.000 3.005 2.982 3.012 0.012 10 0 "[ . 1]" 1
11 1 4 ASN HA 1 5 LEU H . . 3.700 3.604 3.597 3.606 . 0 0 "[ . 1]" 1
12 1 4 ASN HA 1 6 GLU H . . 4.500 4.363 4.329 4.382 . 0 0 "[ . 1]" 1
13 1 4 ASN HA 1 7 ILE H . . 3.800 3.056 3.024 3.070 . 0 0 "[ . 1]" 1
14 1 4 ASN HA 1 7 ILE HB . . 3.300 2.567 2.433 2.597 . 0 0 "[ . 1]" 1
15 1 4 ASN HA 1 7 ILE MD . . 3.300 2.184 2.130 2.205 . 0 0 "[ . 1]" 1
16 1 4 ASN HA 1 7 ILE HG13 . . 4.300 1.815 1.801 1.852 . 0 0 "[ . 1]" 1
17 1 4 ASN HA 1 7 ILE MG . . 5.500 3.689 3.609 3.710 . 0 0 "[ . 1]" 1
18 1 4 ASN QB 1 7 ILE MD . . 3.300 3.259 3.192 3.298 . 0 0 "[ . 1]" 1
19 1 4 ASN QB 1 7 ILE HG13 . . 3.700 3.818 3.751 3.834 0.134 4 0 "[ . 1]" 1
20 1 4 ASN QB 1 8 ILE MD . . 4.200 4.020 3.664 4.197 . 0 0 "[ . 1]" 1
21 1 5 LEU H 1 5 LEU HA . . 3.000 2.739 2.737 2.741 . 0 0 "[ . 1]" 1
22 1 5 LEU H 1 5 LEU HG . . 2.900 2.499 2.262 2.585 . 0 0 "[ . 1]" 1
23 1 5 LEU HA 1 6 GLU H . . 3.700 3.602 3.599 3.606 . 0 0 "[ . 1]" 1
24 1 5 LEU HA 1 8 ILE H . . 3.700 3.470 3.452 3.506 . 0 0 "[ . 1]" 1
25 1 5 LEU HA 1 8 ILE HB . . 3.200 3.042 2.941 3.121 . 0 0 "[ . 1]" 1
26 1 5 LEU HA 1 8 ILE MD . . 3.600 2.394 2.068 2.643 . 0 0 "[ . 1]" 1
27 1 5 LEU HA 1 8 ILE MG . . 4.600 4.362 4.270 4.429 . 0 0 "[ . 1]" 1
28 1 5 LEU HA 1 9 ILE H . . 4.500 4.511 4.500 4.520 0.020 4 0 "[ . 1]" 1
29 1 5 LEU QD 1 8 ILE HB . . 3.500 3.451 3.377 3.514 0.014 9 0 "[ . 1]" 1
30 1 6 GLU H 1 6 GLU HA . . 3.000 2.853 2.849 2.859 . 0 0 "[ . 1]" 1
31 1 6 GLU H 1 7 ILE H . . 3.000 2.582 2.562 2.596 . 0 0 "[ . 1]" 1
32 1 6 GLU QB 3 7 ILE MD . . 3.500 4.141 4.066 4.260 0.760 2 10 [*+***-****] 1
33 1 6 GLU QG 2 10 LEU QD . . 3.300 4.664 4.631 4.687 1.387 4 10 [**-+******] 1
34 1 7 ILE H 1 7 ILE HA . . 3.000 2.853 2.849 2.854 . 0 0 "[ . 1]" 1
35 1 7 ILE H 1 7 ILE HB . . 2.700 2.623 2.608 2.643 . 0 0 "[ . 1]" 1
36 1 7 ILE H 1 7 ILE QG . . 3.000 1.888 1.871 1.896 . 0 0 "[ . 1]" 1
37 1 7 ILE HA 1 8 ILE H . . 3.700 3.534 3.530 3.543 . 0 0 "[ . 1]" 1
38 1 7 ILE HA 1 10 LEU HB2 . . 3.300 2.329 2.299 2.375 . 0 0 "[ . 1]" 1
39 1 7 ILE HA 1 10 LEU HG . . 4.000 4.089 4.082 4.105 0.105 3 0 "[ . 1]" 1
40 1 7 ILE HA 1 11 GLU H . . 4.500 3.305 3.202 3.471 . 0 0 "[ . 1]" 1
41 1 7 ILE HA 2 10 LEU QD . . 3.500 1.748 1.729 1.771 . 0 0 "[ . 1]" 1
42 1 7 ILE HB 1 7 ILE HG13 . . 2.800 2.380 2.376 2.386 . 0 0 "[ . 1]" 1
43 1 7 ILE MD 2 6 GLU QB . . 3.500 4.131 4.057 4.256 0.756 2 10 [*+***-****] 1
44 1 7 ILE HG12 1 7 ILE MG . . 2.600 2.471 2.461 2.477 . 0 0 "[ . 1]" 1
45 1 7 ILE MG 1 11 GLU HA . . 4.400 4.498 4.479 4.510 0.110 4 0 "[ . 1]" 1
46 1 8 ILE H 1 8 ILE HA . . 3.000 2.900 2.897 2.902 . 0 0 "[ . 1]" 1
47 1 8 ILE H 1 8 ILE HB . . 2.700 2.304 2.244 2.377 . 0 0 "[ . 1]" 1
48 1 8 ILE H 1 8 ILE HG13 . . 2.900 2.500 2.306 2.679 . 0 0 "[ . 1]" 1
49 1 8 ILE H 1 9 ILE H . . 3.000 2.474 2.468 2.494 . 0 0 "[ . 1]" 1
50 1 8 ILE HA 1 9 ILE H . . 3.700 3.586 3.584 3.590 . 0 0 "[ . 1]" 1
51 1 8 ILE HA 1 11 GLU HB2 . . 3.300 2.744 2.533 2.872 . 0 0 "[ . 1]" 1
52 1 9 ILE H 1 9 ILE HA . . 2.700 2.899 2.889 2.904 0.204 9 0 "[ . 1]" 1
53 1 9 ILE HA 1 10 LEU H . . 3.100 3.502 3.495 3.520 0.420 2 0 "[ . 1]" 1
54 1 10 LEU H 1 10 LEU HA . . 3.000 2.930 2.924 2.931 . 0 0 "[ . 1]" 1
55 1 10 LEU H 1 10 LEU HB2 . . 2.700 2.243 2.239 2.248 . 0 0 "[ . 1]" 1
56 1 10 LEU H 1 10 LEU HG . . 2.900 2.770 2.727 2.784 . 0 0 "[ . 1]" 1
57 1 10 LEU H 1 11 GLU H . . 3.000 2.406 2.343 2.460 . 0 0 "[ . 1]" 1
58 1 10 LEU HA 1 11 GLU H . . 3.700 3.599 3.582 3.610 . 0 0 "[ . 1]" 1
59 1 10 LEU HA 1 13 THR MG . . 4.400 3.857 3.639 3.951 . 0 0 "[ . 1]" 1
60 1 10 LEU QD 3 6 GLU QG . . 3.300 4.663 4.636 4.681 1.381 4 10 [**-+******] 1
61 1 10 LEU QD 3 7 ILE HA . . 3.500 1.747 1.721 1.773 . 0 0 "[ . 1]" 1
62 1 11 GLU H 1 11 GLU HA . . 2.800 2.822 2.808 2.826 0.026 1 0 "[ . 1]" 1
63 1 11 GLU H 1 11 GLU HG2 . . 3.000 2.368 2.211 2.626 . 0 0 "[ . 1]" 1
64 1 11 GLU H 1 12 GLY H . . 3.000 2.736 2.710 2.787 . 0 0 "[ . 1]" 1
65 1 11 GLU HA 1 11 GLU HB3 . . 2.700 2.581 2.544 2.648 . 0 0 "[ . 1]" 1
66 1 11 GLU HA 1 14 ALA MB . . 3.300 2.457 2.388 2.645 . 0 0 "[ . 1]" 1
67 1 11 GLU HA 1 15 VAL H . . 4.500 4.102 4.042 4.203 . 0 0 "[ . 1]" 1
68 1 12 GLY H 1 12 GLY HA3 . . 2.600 2.305 2.302 2.306 . 0 0 "[ . 1]" 1
69 1 12 GLY H 1 13 THR H . . 3.000 2.693 2.657 2.762 . 0 0 "[ . 1]" 1
70 1 12 GLY HA2 1 15 VAL QG . . 3.500 3.382 3.159 3.453 . 0 0 "[ . 1]" 1
71 1 13 THR H 1 13 THR HB . . 2.800 2.404 2.352 2.437 . 0 0 "[ . 1]" 1
72 1 13 THR H 1 14 ALA H . . 3.000 2.691 2.667 2.817 . 0 0 "[ . 1]" 1
73 1 13 THR HA 1 14 ALA H . . 3.700 3.514 3.502 3.563 . 0 0 "[ . 1]" 1
74 1 13 THR HA 1 16 ILE H . . 3.700 3.435 3.389 3.460 . 0 0 "[ . 1]" 1
75 1 13 THR HA 1 16 ILE HB . . 3.600 1.932 1.887 1.963 . 0 0 "[ . 1]" 1
76 1 13 THR HA 1 16 ILE MD . . 3.600 2.131 1.795 2.356 . 0 0 "[ . 1]" 1
77 1 14 ALA H 1 14 ALA HA . . 3.000 2.863 2.829 2.871 . 0 0 "[ . 1]" 1
78 1 14 ALA H 1 15 VAL H . . 3.000 2.833 2.813 2.924 . 0 0 "[ . 1]" 1
79 1 14 ALA HA 1 17 ALA MB . . 3.300 3.298 3.286 3.311 0.011 2 0 "[ . 1]" 1
80 1 14 ALA HA 2 14 ALA MB . . 3.500 5.101 5.005 5.220 1.720 9 10 [****-***+*] 1
81 1 14 ALA MB 1 15 VAL H . . 2.900 2.243 2.165 2.284 . 0 0 "[ . 1]" 1
82 1 14 ALA MB 1 15 VAL HA . . 4.500 3.767 3.743 3.787 . 0 0 "[ . 1]" 1
83 1 14 ALA MB 3 14 ALA HA . . 3.500 5.098 5.004 5.219 1.719 9 10 [****-***+*] 1
84 1 15 VAL H 1 15 VAL HA . . 2.900 2.864 2.847 2.871 . 0 0 "[ . 1]" 1
85 1 15 VAL H 1 15 VAL HB . . 2.700 2.713 2.699 2.723 0.023 3 0 "[ . 1]" 1
86 1 15 VAL H 1 15 VAL QG . . 2.400 1.898 1.800 1.952 . 0 0 "[ . 1]" 1
87 1 15 VAL H 1 16 ILE H . . 3.000 2.542 2.522 2.594 . 0 0 "[ . 1]" 1
88 1 15 VAL HA 1 18 MET H . . 3.700 3.648 3.567 3.686 . 0 0 "[ . 1]" 1
89 1 15 VAL HA 1 18 MET HB3 . . 3.700 3.721 3.685 3.741 0.041 7 0 "[ . 1]" 1
90 1 15 VAL QG 1 18 MET ME . . 3.500 3.278 2.006 3.450 . 0 0 "[ . 1]" 1
91 1 15 VAL QG 1 19 PHE QB . . 3.700 3.635 3.558 3.673 . 0 0 "[ . 1]" 1
92 1 15 VAL QG 1 19 PHE QR . . 3.900 3.388 2.829 3.868 . 0 0 "[ . 1]" 1
93 1 15 VAL QG 2 18 MET ME . . 3.700 2.849 2.619 3.394 . 0 0 "[ . 1]" 1
94 1 16 ILE H 1 16 ILE HA . . 3.000 2.896 2.877 2.903 . 0 0 "[ . 1]" 1
95 1 16 ILE H 1 17 ALA H . . 3.000 2.755 2.734 2.814 . 0 0 "[ . 1]" 1
96 1 16 ILE HA 1 19 PHE H . . 3.700 3.625 3.575 3.658 . 0 0 "[ . 1]" 1
97 1 16 ILE HA 1 19 PHE QB . . 3.300 3.083 2.831 3.304 0.004 3 0 "[ . 1]" 1
98 1 16 ILE MG 1 20 PHE QR . . 3.300 2.522 1.807 2.836 . 0 0 "[ . 1]" 1
99 1 17 ALA H 1 17 ALA HA . . 3.000 2.783 2.780 2.796 . 0 0 "[ . 1]" 1
100 1 17 ALA H 1 18 MET H . . 3.000 2.772 2.726 2.793 . 0 0 "[ . 1]" 1
101 1 18 MET H 1 18 MET HA . . 3.000 2.856 2.831 2.878 . 0 0 "[ . 1]" 1
102 1 18 MET H 1 19 PHE H . . 3.000 2.813 2.741 2.886 . 0 0 "[ . 1]" 1
103 1 18 MET ME 1 22 LEU QD . . 4.300 3.104 2.441 4.133 . 0 0 "[ . 1]" 1
104 1 18 MET ME 3 15 VAL QG . . 3.700 2.866 2.624 3.392 . 0 0 "[ . 1]" 1
105 1 19 PHE H 1 19 PHE HA . . 3.000 2.810 2.786 2.846 . 0 0 "[ . 1]" 1
106 1 19 PHE H 1 19 PHE QB . . 2.700 2.065 1.997 2.110 . 0 0 "[ . 1]" 1
107 1 19 PHE HA 1 22 LEU HB2 . . 3.700 2.603 2.105 3.434 . 0 0 "[ . 1]" 1
108 1 19 PHE HA 1 22 LEU QD . . 3.700 3.023 2.408 3.702 0.002 5 0 "[ . 1]" 1
109 1 19 PHE QR 2 22 LEU QD . . 3.500 3.294 2.845 3.558 0.058 5 0 "[ . 1]" 1
110 1 20 PHE HA 1 23 LEU QB . . 3.700 2.902 2.315 3.720 0.020 5 0 "[ . 1]" 1
111 1 20 PHE HA 1 23 LEU QD . . 3.700 2.210 1.767 2.446 . 0 0 "[ . 1]" 1
112 1 20 PHE QB 1 23 LEU QD . . 4.000 3.932 3.411 4.182 0.182 4 0 "[ . 1]" 1
113 1 22 LEU H 1 23 LEU H . . 3.000 2.678 2.463 2.807 . 0 0 "[ . 1]" 1
114 1 22 LEU HA 1 25 VAL H . . 3.900 3.431 3.223 3.637 . 0 0 "[ . 1]" 1
115 1 22 LEU HA 1 25 VAL HB . . 3.600 2.639 2.126 3.271 . 0 0 "[ . 1]" 1
116 1 22 LEU HA 1 25 VAL MG2 . . 3.500 2.953 2.435 3.416 . 0 0 "[ . 1]" 1
117 1 22 LEU QD 1 25 VAL HB . . 3.600 3.303 2.632 3.602 0.002 10 0 "[ . 1]" 1
118 1 22 LEU QD 3 19 PHE QR . . 3.500 3.462 3.070 3.711 0.211 7 0 "[ . 1]" 1
119 1 23 LEU H 1 23 LEU HG . . 3.000 2.627 2.192 2.997 . 0 0 "[ . 1]" 1
120 1 23 LEU H 1 24 LEU H . . 3.000 2.730 2.633 2.808 . 0 0 "[ . 1]" 1
121 1 23 LEU HA 1 26 ILE H . . 3.700 3.306 3.114 3.504 . 0 0 "[ . 1]" 1
122 1 23 LEU HA 1 26 ILE HB . . 3.300 2.551 2.094 3.214 . 0 0 "[ . 1]" 1
123 1 23 LEU HA 1 26 ILE HG13 . . 4.200 3.691 3.096 4.206 0.006 1 0 "[ . 1]" 1
124 1 23 LEU QD 1 26 ILE HB . . 3.700 3.596 3.389 3.721 0.021 6 0 "[ . 1]" 1
125 1 24 LEU HA 1 27 ILE H . . 3.700 3.407 3.238 3.572 . 0 0 "[ . 1]" 1
126 1 24 LEU HA 1 27 ILE HB . . 3.300 2.683 2.326 3.259 . 0 0 "[ . 1]" 1
127 1 24 LEU HA 1 27 ILE MD . . 3.000 2.516 2.187 2.850 . 0 0 "[ . 1]" 1
128 1 24 LEU HA 1 28 LEU H . . 4.500 3.975 3.736 4.206 . 0 0 "[ . 1]" 1
129 1 24 LEU HA 1 28 LEU HG . . 4.000 3.922 3.719 4.004 0.004 5 0 "[ . 1]" 1
130 1 25 VAL H 1 25 VAL HA . . 3.000 2.873 2.843 2.903 . 0 0 "[ . 1]" 1
131 1 25 VAL H 1 25 VAL HB . . 2.700 2.345 2.265 2.513 . 0 0 "[ . 1]" 1
132 1 25 VAL H 1 26 ILE H . . 3.000 2.538 2.447 2.659 . 0 0 "[ . 1]" 1
133 1 25 VAL HA 1 26 ILE H . . 3.700 3.551 3.494 3.593 . 0 0 "[ . 1]" 1
134 1 25 VAL HA 1 28 LEU H . . 3.600 3.439 3.285 3.600 0.000 1 0 "[ . 1]" 1
135 1 25 VAL HA 1 28 LEU HB2 . . 3.300 2.570 2.275 3.031 . 0 0 "[ . 1]" 1
136 1 25 VAL HA 1 28 LEU MD1 . . 3.200 2.958 2.628 3.155 . 0 0 "[ . 1]" 1
137 1 25 VAL HA 1 29 ARG H . . 4.400 3.808 3.498 4.190 . 0 0 "[ . 1]" 1
138 1 26 ILE H 1 26 ILE HA . . 3.000 2.877 2.853 2.890 . 0 0 "[ . 1]" 1
139 1 26 ILE H 1 26 ILE HB . . 2.700 2.288 2.250 2.356 . 0 0 "[ . 1]" 1
140 1 26 ILE H 1 27 ILE H . . 3.000 2.542 2.462 2.609 . 0 0 "[ . 1]" 1
141 1 26 ILE HA 1 27 ILE H . . 3.700 3.571 3.530 3.598 . 0 0 "[ . 1]" 1
142 1 26 ILE HA 1 29 ARG H . . 3.700 3.513 3.387 3.637 . 0 0 "[ . 1]" 1
143 1 26 ILE HA 1 29 ARG QB . . 3.300 2.599 2.358 2.808 . 0 0 "[ . 1]" 1
144 1 26 ILE HA 1 29 ARG QD . . 3.900 3.411 3.221 3.801 . 0 0 "[ . 1]" 1
145 1 26 ILE MG 1 30 THR HB . . 3.600 3.585 3.549 3.605 0.005 5 0 "[ . 1]" 1
146 1 26 ILE MG 1 30 THR HG1 . . 3.600 2.592 2.098 3.203 . 0 0 "[ . 1]" 1
147 1 27 ILE H 1 27 ILE HA . . 3.000 2.873 2.858 2.884 . 0 0 "[ . 1]" 1
148 1 27 ILE H 1 27 ILE HB . . 2.700 2.321 2.257 2.383 . 0 0 "[ . 1]" 1
149 1 27 ILE HA 1 28 LEU H . . 3.600 3.579 3.561 3.600 . 0 0 "[ . 1]" 1
150 1 27 ILE HA 1 30 THR H . . 3.700 3.572 3.267 3.686 . 0 0 "[ . 1]" 1
151 1 27 ILE HA 1 30 THR HB . . 3.300 2.512 2.325 2.685 . 0 0 "[ . 1]" 1
152 1 27 ILE HA 1 30 THR MG . . 5.000 3.759 3.624 3.948 . 0 0 "[ . 1]" 1
153 1 27 ILE HA 1 31 VAL MG2 . . 3.700 3.646 3.527 3.696 . 0 0 "[ . 1]" 1
154 1 27 ILE HB 1 28 LEU H . . 2.900 2.674 2.514 2.783 . 0 0 "[ . 1]" 1
155 1 27 ILE MG 1 28 LEU HA . . 3.700 3.353 3.225 3.490 . 0 0 "[ . 1]" 1
156 1 27 ILE MG 1 31 VAL HB . . 4.200 4.021 3.825 4.191 . 0 0 "[ . 1]" 1
157 1 28 LEU H 1 28 LEU HA . . 2.900 2.865 2.837 2.885 . 0 0 "[ . 1]" 1
158 1 28 LEU H 1 28 LEU HB2 . . 2.700 2.296 2.212 2.426 . 0 0 "[ . 1]" 1
159 1 28 LEU H 1 28 LEU HG . . 2.700 2.410 2.111 2.611 . 0 0 "[ . 1]" 1
160 1 28 LEU H 1 29 ARG H . . 3.000 2.602 2.497 2.687 . 0 0 "[ . 1]" 1
161 1 28 LEU HA 1 28 LEU MD2 . . 3.000 1.853 1.780 2.009 . 0 0 "[ . 1]" 1
162 1 28 LEU HA 1 31 VAL HB . . 3.300 2.809 2.692 2.887 . 0 0 "[ . 1]" 1
163 1 28 LEU HA 1 32 LYS H . . 4.500 3.938 3.800 4.220 . 0 0 "[ . 1]" 1
164 1 28 LEU MD2 1 31 VAL HB . . 3.700 3.681 3.650 3.706 0.006 9 0 "[ . 1]" 1
165 1 29 ARG H 1 29 ARG HA . . 2.900 2.869 2.844 2.901 0.001 1 0 "[ . 1]" 1
166 1 29 ARG H 1 30 THR H . . 3.000 2.619 2.439 2.718 . 0 0 "[ . 1]" 1
167 1 29 ARG HA 1 32 LYS H . . 3.700 3.392 3.214 3.610 . 0 0 "[ . 1]" 1
168 1 29 ARG HA 1 32 LYS QB . . 3.600 2.525 2.171 3.534 . 0 0 "[ . 1]" 1
169 1 30 THR H 1 30 THR HA . . 2.800 2.815 2.790 2.867 0.067 1 0 "[ . 1]" 1
170 1 30 THR H 1 30 THR HB . . 2.800 2.306 2.265 2.329 . 0 0 "[ . 1]" 1
171 1 30 THR H 1 31 VAL H . . 3.000 2.747 2.541 2.859 . 0 0 "[ . 1]" 1
172 1 30 THR HA 1 31 VAL H . . 3.300 3.582 3.541 3.601 0.301 8 0 "[ . 1]" 1
173 1 30 THR HA 1 33 ARG H . . 3.700 3.630 3.503 3.714 0.014 9 0 "[ . 1]" 1
174 1 30 THR HA 1 33 ARG HB2 . . 3.300 3.110 2.817 3.296 . 0 0 "[ . 1]" 1
175 1 30 THR HB 1 31 VAL H . . 3.000 2.663 2.534 2.894 . 0 0 "[ . 1]" 1
176 1 30 THR HB 1 31 VAL MG2 . . 3.700 3.360 3.313 3.419 . 0 0 "[ . 1]" 1
177 1 30 THR MG 1 31 VAL H . . 3.600 3.186 3.009 3.364 . 0 0 "[ . 1]" 1
178 1 30 THR MG 1 31 VAL HA . . 4.200 3.286 3.147 3.373 . 0 0 "[ . 1]" 1
179 1 31 VAL H 1 31 VAL HA . . 3.000 2.865 2.819 2.898 . 0 0 "[ . 1]" 1
180 1 31 VAL H 1 31 VAL HB . . 2.700 2.336 2.311 2.382 . 0 0 "[ . 1]" 1
181 1 31 VAL H 1 31 VAL MG2 . . 3.000 2.363 2.239 2.444 . 0 0 "[ . 1]" 1
182 1 31 VAL H 1 32 LYS H . . 3.000 2.639 2.478 2.842 . 0 0 "[ . 1]" 1
183 1 31 VAL HA 1 32 LYS H . . 3.700 3.597 3.576 3.615 . 0 0 "[ . 1]" 1
184 1 31 VAL HA 1 34 ALA H . . 4.000 4.005 3.979 4.019 0.019 9 0 "[ . 1]" 1
185 1 31 VAL HA 1 34 ALA MB . . 3.300 2.350 2.267 2.488 . 0 0 "[ . 1]" 1
186 1 31 VAL HB 1 32 LYS H . . 3.000 2.526 2.284 2.676 . 0 0 "[ . 1]" 1
187 1 31 VAL MG1 1 32 LYS HA . . 3.800 3.297 3.205 3.429 . 0 0 "[ . 1]" 1
188 1 32 LYS H 1 32 LYS HA . . 3.000 2.790 2.777 2.812 . 0 0 "[ . 1]" 1
189 1 32 LYS H 1 33 ARG H . . 3.000 2.752 2.690 2.801 . 0 0 "[ . 1]" 1
190 1 32 LYS HA 1 33 ARG H . . 3.600 3.538 3.504 3.559 . 0 0 "[ . 1]" 1
191 1 32 LYS HA 1 35 ASN QB . . 4.200 3.613 3.347 3.834 . 0 0 "[ . 1]" 1
192 1 33 ARG H 1 33 ARG HA . . 2.900 2.960 2.953 2.969 0.069 6 0 "[ . 1]" 1
193 1 33 ARG H 1 34 ALA H . . 3.300 2.952 2.861 3.017 . 0 0 "[ . 1]" 1
194 1 33 ARG HA 1 34 ALA MB . . 4.500 4.538 4.513 4.567 0.067 1 0 "[ . 1]" 1
195 1 34 ALA H 1 34 ALA HA . . 3.000 2.962 2.955 2.968 . 0 0 "[ . 1]" 1
196 2 1 GLU HA 2 4 ASN QB . . 3.600 3.408 3.142 3.602 0.002 5 0 "[ . 1]" 1
197 2 2 LYS H 2 3 THR H . . 3.300 2.484 2.350 2.723 . 0 0 "[ . 1]" 1
198 2 3 THR H 2 4 ASN H . . 3.000 2.831 2.626 2.869 . 0 0 "[ . 1]" 1
199 2 3 THR HA 2 4 ASN QB . . 3.500 5.163 5.091 5.368 1.868 2 10 [*+*-******] 1
200 2 3 THR HA 2 6 GLU H . . 3.500 3.336 3.299 3.426 . 0 0 "[ . 1]" 1
201 2 3 THR HA 2 6 GLU QB . . 3.300 3.171 3.113 3.253 . 0 0 "[ . 1]" 1
202 2 3 THR HB 2 5 LEU H . . 3.600 5.801 5.027 6.050 2.450 10 10 [*******-*+] 1
203 2 3 THR MG 2 7 ILE MD . . 2.900 2.618 2.429 2.912 0.012 5 0 "[ . 1]" 1
204 2 3 THR MG 2 7 ILE HG13 . . 3.400 3.247 2.908 3.354 . 0 0 "[ . 1]" 1
205 2 4 ASN H 2 5 LEU H . . 3.000 3.006 2.982 3.011 0.011 10 0 "[ . 1]" 1
206 2 4 ASN HA 2 5 LEU H . . 3.700 3.604 3.597 3.606 . 0 0 "[ . 1]" 1
207 2 4 ASN HA 2 6 GLU H . . 4.500 4.362 4.331 4.381 . 0 0 "[ . 1]" 1
208 2 4 ASN HA 2 7 ILE H . . 3.800 3.058 3.025 3.072 . 0 0 "[ . 1]" 1
209 2 4 ASN HA 2 7 ILE HB . . 3.300 2.577 2.436 2.612 . 0 0 "[ . 1]" 1
210 2 4 ASN HA 2 7 ILE MD . . 3.300 2.186 2.131 2.206 . 0 0 "[ . 1]" 1
211 2 4 ASN HA 2 7 ILE HG13 . . 4.300 1.815 1.801 1.854 . 0 0 "[ . 1]" 1
212 2 4 ASN HA 2 7 ILE MG . . 5.500 3.695 3.611 3.718 . 0 0 "[ . 1]" 1
213 2 4 ASN QB 2 7 ILE MD . . 3.300 3.263 3.193 3.302 0.002 9 0 "[ . 1]" 1
214 2 4 ASN QB 2 7 ILE HG13 . . 3.700 3.818 3.751 3.835 0.135 9 0 "[ . 1]" 1
215 2 4 ASN QB 2 8 ILE MD . . 4.200 4.029 3.678 4.200 . 0 0 "[ . 1]" 1
216 2 5 LEU H 2 5 LEU HA . . 3.000 2.739 2.738 2.742 . 0 0 "[ . 1]" 1
217 2 5 LEU H 2 5 LEU HG . . 2.900 2.498 2.251 2.583 . 0 0 "[ . 1]" 1
218 2 5 LEU HA 2 6 GLU H . . 3.700 3.602 3.599 3.606 . 0 0 "[ . 1]" 1
219 2 5 LEU HA 2 8 ILE H . . 3.700 3.468 3.450 3.506 . 0 0 "[ . 1]" 1
220 2 5 LEU HA 2 8 ILE HB . . 3.200 3.041 2.956 3.111 . 0 0 "[ . 1]" 1
221 2 5 LEU HA 2 8 ILE MD . . 3.600 2.392 2.039 2.642 . 0 0 "[ . 1]" 1
222 2 5 LEU HA 2 8 ILE MG . . 4.600 4.362 4.292 4.413 . 0 0 "[ . 1]" 1
223 2 5 LEU HA 2 9 ILE H . . 4.500 4.512 4.499 4.518 0.018 9 0 "[ . 1]" 1
224 2 5 LEU QD 2 8 ILE HB . . 3.500 3.447 3.358 3.514 0.014 9 0 "[ . 1]" 1
225 2 6 GLU H 2 6 GLU HA . . 3.000 2.853 2.849 2.859 . 0 0 "[ . 1]" 1
226 2 6 GLU H 2 7 ILE H . . 3.000 2.583 2.560 2.594 . 0 0 "[ . 1]" 1
227 2 6 GLU QG 3 10 LEU QD . . 3.300 4.669 4.631 4.686 1.386 4 10 [**-+******] 1
228 2 7 ILE H 2 7 ILE HA . . 3.000 2.853 2.848 2.854 . 0 0 "[ . 1]" 1
229 2 7 ILE H 2 7 ILE HB . . 2.700 2.622 2.607 2.643 . 0 0 "[ . 1]" 1
230 2 7 ILE H 2 7 ILE QG . . 3.000 1.889 1.872 1.896 . 0 0 "[ . 1]" 1
231 2 7 ILE HA 2 8 ILE H . . 3.700 3.534 3.531 3.543 . 0 0 "[ . 1]" 1
232 2 7 ILE HA 2 10 LEU HB2 . . 3.300 2.329 2.303 2.375 . 0 0 "[ . 1]" 1
233 2 7 ILE HA 2 10 LEU HG . . 4.000 4.090 4.083 4.106 0.106 3 0 "[ . 1]" 1
234 2 7 ILE HA 2 11 GLU H . . 4.500 3.309 3.214 3.473 . 0 0 "[ . 1]" 1
235 2 7 ILE HA 3 10 LEU QD . . 3.500 1.754 1.729 1.770 . 0 0 "[ . 1]" 1
236 2 7 ILE HB 2 7 ILE HG13 . . 2.800 2.379 2.376 2.386 . 0 0 "[ . 1]" 1
237 2 7 ILE MD 3 6 GLU QB . . 3.500 4.139 4.068 4.261 0.761 2 10 [*+*-******] 1
238 2 7 ILE HG12 2 7 ILE MG . . 2.600 2.471 2.462 2.477 . 0 0 "[ . 1]" 1
239 2 7 ILE MG 2 11 GLU HA . . 4.400 4.498 4.479 4.510 0.110 4 0 "[ . 1]" 1
240 2 8 ILE H 2 8 ILE HA . . 3.000 2.901 2.897 2.902 . 0 0 "[ . 1]" 1
241 2 8 ILE H 2 8 ILE HB . . 2.700 2.305 2.247 2.377 . 0 0 "[ . 1]" 1
242 2 8 ILE H 2 8 ILE HG13 . . 2.900 2.499 2.306 2.672 . 0 0 "[ . 1]" 1
243 2 8 ILE H 2 9 ILE H . . 3.000 2.474 2.466 2.495 . 0 0 "[ . 1]" 1
244 2 8 ILE HA 2 9 ILE H . . 3.700 3.586 3.584 3.591 . 0 0 "[ . 1]" 1
245 2 8 ILE HA 2 11 GLU HB2 . . 3.300 2.740 2.529 2.867 . 0 0 "[ . 1]" 1
246 2 9 ILE H 2 9 ILE HA . . 2.700 2.900 2.889 2.903 0.203 4 0 "[ . 1]" 1
247 2 9 ILE HA 2 10 LEU H . . 3.100 3.502 3.496 3.520 0.420 2 0 "[ . 1]" 1
248 2 10 LEU H 2 10 LEU HA . . 3.000 2.930 2.923 2.931 . 0 0 "[ . 1]" 1
249 2 10 LEU H 2 10 LEU HB2 . . 2.700 2.242 2.239 2.249 . 0 0 "[ . 1]" 1
250 2 10 LEU H 2 10 LEU HG . . 2.900 2.770 2.727 2.785 . 0 0 "[ . 1]" 1
251 2 10 LEU H 2 11 GLU H . . 3.000 2.403 2.343 2.437 . 0 0 "[ . 1]" 1
252 2 10 LEU HA 2 11 GLU H . . 3.700 3.598 3.582 3.607 . 0 0 "[ . 1]" 1
253 2 10 LEU HA 2 13 THR MG . . 4.400 3.863 3.640 3.950 . 0 0 "[ . 1]" 1
254 2 11 GLU H 2 11 GLU HA . . 2.800 2.822 2.815 2.827 0.027 1 0 "[ . 1]" 1
255 2 11 GLU H 2 11 GLU HG2 . . 3.000 2.375 2.226 2.629 . 0 0 "[ . 1]" 1
256 2 11 GLU H 2 12 GLY H . . 3.000 2.734 2.709 2.786 . 0 0 "[ . 1]" 1
257 2 11 GLU HA 2 11 GLU HB3 . . 2.700 2.582 2.545 2.650 . 0 0 "[ . 1]" 1
258 2 11 GLU HA 2 14 ALA MB . . 3.300 2.456 2.387 2.647 . 0 0 "[ . 1]" 1
259 2 11 GLU HA 2 15 VAL H . . 4.500 4.099 4.043 4.203 . 0 0 "[ . 1]" 1
260 2 12 GLY H 2 12 GLY HA3 . . 2.600 2.305 2.302 2.307 . 0 0 "[ . 1]" 1
261 2 12 GLY H 2 13 THR H . . 3.000 2.693 2.659 2.761 . 0 0 "[ . 1]" 1
262 2 12 GLY HA2 2 15 VAL QG . . 3.500 3.387 3.158 3.452 . 0 0 "[ . 1]" 1
263 2 13 THR H 2 13 THR HB . . 2.800 2.407 2.377 2.438 . 0 0 "[ . 1]" 1
264 2 13 THR H 2 14 ALA H . . 3.000 2.691 2.667 2.818 . 0 0 "[ . 1]" 1
265 2 13 THR HA 2 14 ALA H . . 3.700 3.514 3.502 3.563 . 0 0 "[ . 1]" 1
266 2 13 THR HA 2 16 ILE H . . 3.700 3.435 3.389 3.465 . 0 0 "[ . 1]" 1
267 2 13 THR HA 2 16 ILE HB . . 3.600 1.935 1.886 1.992 . 0 0 "[ . 1]" 1
268 2 13 THR HA 2 16 ILE MD . . 3.600 2.141 1.794 2.351 . 0 0 "[ . 1]" 1
269 2 14 ALA H 2 14 ALA HA . . 3.000 2.863 2.829 2.875 . 0 0 "[ . 1]" 1
270 2 14 ALA H 2 15 VAL H . . 3.000 2.831 2.792 2.926 . 0 0 "[ . 1]" 1
271 2 14 ALA HA 2 17 ALA MB . . 3.300 3.299 3.286 3.311 0.011 2 0 "[ . 1]" 1
272 2 14 ALA HA 3 14 ALA MB . . 3.500 5.098 5.000 5.212 1.712 9 10 [****-***+*] 1
273 2 14 ALA MB 2 15 VAL H . . 2.900 2.243 2.162 2.289 . 0 0 "[ . 1]" 1
274 2 14 ALA MB 2 15 VAL HA . . 4.500 3.768 3.749 3.787 . 0 0 "[ . 1]" 1
275 2 15 VAL H 2 15 VAL HA . . 2.900 2.864 2.847 2.870 . 0 0 "[ . 1]" 1
276 2 15 VAL H 2 15 VAL HB . . 2.700 2.711 2.689 2.725 0.025 3 0 "[ . 1]" 1
277 2 15 VAL H 2 15 VAL QG . . 2.400 1.900 1.791 1.952 . 0 0 "[ . 1]" 1
278 2 15 VAL H 2 16 ILE H . . 3.000 2.541 2.523 2.594 . 0 0 "[ . 1]" 1
279 2 15 VAL HA 2 18 MET H . . 3.700 3.650 3.567 3.707 0.007 7 0 "[ . 1]" 1
280 2 15 VAL HA 2 18 MET HB3 . . 3.700 3.717 3.684 3.729 0.029 3 0 "[ . 1]" 1
281 2 15 VAL QG 2 18 MET ME . . 3.500 3.248 1.993 3.452 . 0 0 "[ . 1]" 1
282 2 15 VAL QG 2 19 PHE QB . . 3.700 3.646 3.592 3.671 . 0 0 "[ . 1]" 1
283 2 15 VAL QG 2 19 PHE QR . . 3.900 3.375 2.850 3.846 . 0 0 "[ . 1]" 1
284 2 15 VAL QG 3 18 MET ME . . 3.700 2.856 2.615 3.395 . 0 0 "[ . 1]" 1
285 2 16 ILE H 2 16 ILE HA . . 3.000 2.897 2.878 2.911 . 0 0 "[ . 1]" 1
286 2 16 ILE H 2 17 ALA H . . 3.000 2.754 2.714 2.814 . 0 0 "[ . 1]" 1
287 2 16 ILE HA 2 19 PHE H . . 3.700 3.627 3.603 3.659 . 0 0 "[ . 1]" 1
288 2 16 ILE HA 2 19 PHE QB . . 3.300 3.077 2.796 3.294 . 0 0 "[ . 1]" 1
289 2 16 ILE MG 2 20 PHE QR . . 3.300 2.622 1.950 3.006 . 0 0 "[ . 1]" 1
290 2 17 ALA H 2 17 ALA HA . . 3.000 2.785 2.780 2.797 . 0 0 "[ . 1]" 1
291 2 17 ALA H 2 18 MET H . . 3.000 2.767 2.725 2.794 . 0 0 "[ . 1]" 1
292 2 18 MET H 2 18 MET HA . . 3.000 2.857 2.830 2.885 . 0 0 "[ . 1]" 1
293 2 18 MET H 2 19 PHE H . . 3.000 2.808 2.721 2.887 . 0 0 "[ . 1]" 1
294 2 18 MET ME 2 22 LEU QD . . 4.300 3.027 2.439 3.789 . 0 0 "[ . 1]" 1
295 2 19 PHE H 2 19 PHE HA . . 3.000 2.806 2.773 2.845 . 0 0 "[ . 1]" 1
296 2 19 PHE H 2 19 PHE QB . . 2.700 2.065 1.991 2.108 . 0 0 "[ . 1]" 1
297 2 19 PHE HA 2 22 LEU HB2 . . 3.700 2.577 2.149 3.419 . 0 0 "[ . 1]" 1
298 2 19 PHE HA 2 22 LEU QD . . 3.700 2.944 2.357 3.702 0.002 5 0 "[ . 1]" 1
299 2 19 PHE QR 3 22 LEU QD . . 3.500 3.402 3.158 3.629 0.129 7 0 "[ . 1]" 1
300 2 20 PHE HA 2 23 LEU QB . . 3.700 2.957 2.402 3.717 0.017 5 0 "[ . 1]" 1
301 2 20 PHE HA 2 23 LEU QD . . 3.700 2.213 1.813 2.582 . 0 0 "[ . 1]" 1
302 2 20 PHE QB 2 23 LEU QD . . 4.000 3.943 3.442 4.305 0.305 3 0 "[ . 1]" 1
303 2 22 LEU H 2 23 LEU H . . 3.000 2.688 2.488 2.806 . 0 0 "[ . 1]" 1
304 2 22 LEU HA 2 25 VAL H . . 3.900 3.422 3.255 3.657 . 0 0 "[ . 1]" 1
305 2 22 LEU HA 2 25 VAL HB . . 3.600 2.594 2.105 3.274 . 0 0 "[ . 1]" 1
306 2 22 LEU HA 2 25 VAL MG2 . . 3.500 2.934 2.540 3.368 . 0 0 "[ . 1]" 1
307 2 22 LEU QD 2 25 VAL HB . . 3.600 3.283 2.694 3.597 . 0 0 "[ . 1]" 1
308 2 23 LEU H 2 23 LEU HG . . 3.000 2.629 2.178 3.001 0.001 1 0 "[ . 1]" 1
309 2 23 LEU H 2 24 LEU H . . 3.000 2.737 2.631 2.815 . 0 0 "[ . 1]" 1
310 2 23 LEU HA 2 26 ILE H . . 3.700 3.322 3.109 3.482 . 0 0 "[ . 1]" 1
311 2 23 LEU HA 2 26 ILE HB . . 3.300 2.574 2.113 3.178 . 0 0 "[ . 1]" 1
312 2 23 LEU HA 2 26 ILE HG13 . . 4.200 3.670 3.116 4.202 0.002 1 0 "[ . 1]" 1
313 2 23 LEU QD 2 26 ILE HB . . 3.700 3.618 3.461 3.727 0.027 6 0 "[ . 1]" 1
314 2 24 LEU HA 2 27 ILE H . . 3.700 3.402 3.212 3.593 . 0 0 "[ . 1]" 1
315 2 24 LEU HA 2 27 ILE HB . . 3.300 2.707 2.326 3.267 . 0 0 "[ . 1]" 1
316 2 24 LEU HA 2 27 ILE MD . . 3.000 2.519 2.150 2.874 . 0 0 "[ . 1]" 1
317 2 24 LEU HA 2 28 LEU H . . 4.500 3.995 3.764 4.228 . 0 0 "[ . 1]" 1
318 2 24 LEU HA 2 28 LEU HG . . 4.000 3.964 3.833 4.002 0.002 7 0 "[ . 1]" 1
319 2 25 VAL H 2 25 VAL HA . . 3.000 2.873 2.847 2.906 . 0 0 "[ . 1]" 1
320 2 25 VAL H 2 25 VAL HB . . 2.700 2.346 2.264 2.517 . 0 0 "[ . 1]" 1
321 2 25 VAL H 2 26 ILE H . . 3.000 2.537 2.439 2.639 . 0 0 "[ . 1]" 1
322 2 25 VAL HA 2 26 ILE H . . 3.700 3.550 3.493 3.593 . 0 0 "[ . 1]" 1
323 2 25 VAL HA 2 28 LEU H . . 3.600 3.427 3.295 3.601 0.001 1 0 "[ . 1]" 1
324 2 25 VAL HA 2 28 LEU HB2 . . 3.300 2.556 2.281 3.009 . 0 0 "[ . 1]" 1
325 2 25 VAL HA 2 28 LEU MD1 . . 3.200 2.972 2.664 3.199 . 0 0 "[ . 1]" 1
326 2 25 VAL HA 2 29 ARG H . . 4.400 3.783 3.490 4.236 . 0 0 "[ . 1]" 1
327 2 26 ILE H 2 26 ILE HA . . 3.000 2.875 2.852 2.888 . 0 0 "[ . 1]" 1
328 2 26 ILE H 2 26 ILE HB . . 2.700 2.288 2.251 2.352 . 0 0 "[ . 1]" 1
329 2 26 ILE H 2 27 ILE H . . 3.000 2.548 2.462 2.619 . 0 0 "[ . 1]" 1
330 2 26 ILE HA 2 27 ILE H . . 3.700 3.572 3.532 3.599 . 0 0 "[ . 1]" 1
331 2 26 ILE HA 2 29 ARG H . . 3.700 3.520 3.407 3.633 . 0 0 "[ . 1]" 1
332 2 26 ILE HA 2 29 ARG QB . . 3.300 2.593 2.332 2.846 . 0 0 "[ . 1]" 1
333 2 26 ILE HA 2 29 ARG QD . . 3.900 3.399 3.182 3.777 . 0 0 "[ . 1]" 1
334 2 26 ILE MG 2 30 THR HB . . 3.600 3.592 3.536 3.604 0.004 6 0 "[ . 1]" 1
335 2 26 ILE MG 2 30 THR HG1 . . 3.600 2.599 2.065 3.190 . 0 0 "[ . 1]" 1
336 2 27 ILE H 2 27 ILE HA . . 3.000 2.874 2.862 2.885 . 0 0 "[ . 1]" 1
337 2 27 ILE H 2 27 ILE HB . . 2.700 2.320 2.258 2.383 . 0 0 "[ . 1]" 1
338 2 27 ILE HA 2 28 LEU H . . 3.600 3.580 3.562 3.601 0.001 1 0 "[ . 1]" 1
339 2 27 ILE HA 2 30 THR H . . 3.700 3.577 3.271 3.699 . 0 0 "[ . 1]" 1
340 2 27 ILE HA 2 30 THR HB . . 3.300 2.522 2.321 2.723 . 0 0 "[ . 1]" 1
341 2 27 ILE HA 2 30 THR MG . . 5.000 3.769 3.628 3.982 . 0 0 "[ . 1]" 1
342 2 27 ILE HA 2 31 VAL MG2 . . 3.700 3.648 3.574 3.701 0.001 3 0 "[ . 1]" 1
343 2 27 ILE HB 2 28 LEU H . . 2.900 2.668 2.514 2.776 . 0 0 "[ . 1]" 1
344 2 27 ILE MG 2 28 LEU HA . . 3.700 3.350 3.218 3.482 . 0 0 "[ . 1]" 1
345 2 27 ILE MG 2 31 VAL HB . . 4.200 4.023 3.878 4.200 . 0 0 "[ . 1]" 1
346 2 28 LEU H 2 28 LEU HA . . 2.900 2.865 2.837 2.884 . 0 0 "[ . 1]" 1
347 2 28 LEU H 2 28 LEU HB2 . . 2.700 2.296 2.211 2.423 . 0 0 "[ . 1]" 1
348 2 28 LEU H 2 28 LEU HG . . 2.700 2.411 2.122 2.615 . 0 0 "[ . 1]" 1
349 2 28 LEU H 2 29 ARG H . . 3.000 2.599 2.497 2.698 . 0 0 "[ . 1]" 1
350 2 28 LEU HA 2 28 LEU MD2 . . 3.000 1.851 1.777 2.000 . 0 0 "[ . 1]" 1
351 2 28 LEU HA 2 31 VAL HB . . 3.300 2.813 2.705 2.888 . 0 0 "[ . 1]" 1
352 2 28 LEU HA 2 32 LYS H . . 4.500 3.925 3.756 4.230 . 0 0 "[ . 1]" 1
353 2 28 LEU MD2 2 31 VAL HB . . 3.700 3.679 3.641 3.706 0.006 9 0 "[ . 1]" 1
354 2 29 ARG H 2 29 ARG HA . . 2.900 2.869 2.847 2.902 0.002 1 0 "[ . 1]" 1
355 2 29 ARG H 2 30 THR H . . 3.000 2.618 2.435 2.722 . 0 0 "[ . 1]" 1
356 2 29 ARG HA 2 32 LYS H . . 3.700 3.392 3.232 3.607 . 0 0 "[ . 1]" 1
357 2 29 ARG HA 2 32 LYS QB . . 3.600 2.514 2.172 3.535 . 0 0 "[ . 1]" 1
358 2 30 THR H 2 30 THR HA . . 2.800 2.815 2.792 2.865 0.065 1 0 "[ . 1]" 1
359 2 30 THR H 2 30 THR HB . . 2.800 2.308 2.266 2.331 . 0 0 "[ . 1]" 1
360 2 30 THR H 2 31 VAL H . . 3.000 2.750 2.543 2.866 . 0 0 "[ . 1]" 1
361 2 30 THR HA 2 31 VAL H . . 3.300 3.583 3.540 3.602 0.302 8 0 "[ . 1]" 1
362 2 30 THR HA 2 33 ARG H . . 3.700 3.638 3.498 3.714 0.014 9 0 "[ . 1]" 1
363 2 30 THR HA 2 33 ARG HB2 . . 3.300 3.113 2.818 3.296 . 0 0 "[ . 1]" 1
364 2 30 THR HB 2 31 VAL H . . 3.000 2.659 2.520 2.899 . 0 0 "[ . 1]" 1
365 2 30 THR HB 2 31 VAL MG2 . . 3.700 3.352 3.311 3.423 . 0 0 "[ . 1]" 1
366 2 30 THR MG 2 31 VAL H . . 3.600 3.184 2.993 3.368 . 0 0 "[ . 1]" 1
367 2 30 THR MG 2 31 VAL HA . . 4.200 3.287 3.145 3.389 . 0 0 "[ . 1]" 1
368 2 31 VAL H 2 31 VAL HA . . 3.000 2.866 2.821 2.898 . 0 0 "[ . 1]" 1
369 2 31 VAL H 2 31 VAL HB . . 2.700 2.338 2.310 2.386 . 0 0 "[ . 1]" 1
370 2 31 VAL H 2 31 VAL MG2 . . 3.000 2.359 2.232 2.447 . 0 0 "[ . 1]" 1
371 2 31 VAL H 2 32 LYS H . . 3.000 2.637 2.483 2.838 . 0 0 "[ . 1]" 1
372 2 31 VAL HA 2 32 LYS H . . 3.700 3.597 3.579 3.615 . 0 0 "[ . 1]" 1
373 2 31 VAL HA 2 34 ALA H . . 4.000 4.008 3.998 4.015 0.015 9 0 "[ . 1]" 1
374 2 31 VAL HA 2 34 ALA MB . . 3.300 2.352 2.279 2.492 . 0 0 "[ . 1]" 1
375 2 31 VAL HB 2 32 LYS H . . 3.000 2.524 2.273 2.662 . 0 0 "[ . 1]" 1
376 2 31 VAL MG1 2 32 LYS HA . . 3.800 3.301 3.199 3.425 . 0 0 "[ . 1]" 1
377 2 32 LYS H 2 32 LYS HA . . 3.000 2.789 2.776 2.810 . 0 0 "[ . 1]" 1
378 2 32 LYS H 2 33 ARG H . . 3.000 2.754 2.694 2.803 . 0 0 "[ . 1]" 1
379 2 32 LYS HA 2 33 ARG H . . 3.600 3.537 3.504 3.559 . 0 0 "[ . 1]" 1
380 2 32 LYS HA 2 35 ASN QB . . 4.200 3.606 3.366 3.833 . 0 0 "[ . 1]" 1
381 2 33 ARG H 2 33 ARG HA . . 2.900 2.959 2.952 2.967 0.067 6 0 "[ . 1]" 1
382 2 33 ARG H 2 34 ALA H . . 3.300 2.952 2.859 3.028 . 0 0 "[ . 1]" 1
383 2 33 ARG HA 2 34 ALA MB . . 4.500 4.539 4.510 4.567 0.067 1 0 "[ . 1]" 1
384 2 34 ALA H 2 34 ALA HA . . 3.000 2.962 2.956 2.968 . 0 0 "[ . 1]" 1
385 3 1 GLU HA 3 4 ASN QB . . 3.600 3.415 3.150 3.601 0.001 5 0 "[ . 1]" 1
386 3 2 LYS H 3 3 THR H . . 3.300 2.482 2.351 2.701 . 0 0 "[ . 1]" 1
387 3 3 THR H 3 4 ASN H . . 3.000 2.833 2.623 2.882 . 0 0 "[ . 1]" 1
388 3 3 THR HA 3 4 ASN QB . . 3.500 5.163 5.091 5.368 1.868 2 10 [*+*-******] 1
389 3 3 THR HA 3 6 GLU H . . 3.500 3.336 3.299 3.426 . 0 0 "[ . 1]" 1
390 3 3 THR HA 3 6 GLU QB . . 3.300 3.169 3.101 3.256 . 0 0 "[ . 1]" 1
391 3 3 THR HB 3 5 LEU H . . 3.600 5.801 5.028 6.050 2.450 4 10 [***+***-**] 1
392 3 3 THR MG 3 7 ILE MD . . 2.900 2.622 2.448 2.912 0.012 5 0 "[ . 1]" 1
393 3 3 THR MG 3 7 ILE HG13 . . 3.400 3.251 2.904 3.361 . 0 0 "[ . 1]" 1
394 3 4 ASN H 3 5 LEU H . . 3.000 3.006 2.982 3.013 0.013 4 0 "[ . 1]" 1
395 3 4 ASN HA 3 5 LEU H . . 3.700 3.604 3.598 3.606 . 0 0 "[ . 1]" 1
396 3 4 ASN HA 3 6 GLU H . . 4.500 4.361 4.330 4.380 . 0 0 "[ . 1]" 1
397 3 4 ASN HA 3 7 ILE H . . 3.800 3.058 3.022 3.073 . 0 0 "[ . 1]" 1
398 3 4 ASN HA 3 7 ILE HB . . 3.300 2.577 2.432 2.624 . 0 0 "[ . 1]" 1
399 3 4 ASN HA 3 7 ILE MD . . 3.300 2.184 2.132 2.206 . 0 0 "[ . 1]" 1
400 3 4 ASN HA 3 7 ILE HG13 . . 4.300 1.815 1.801 1.853 . 0 0 "[ . 1]" 1
401 3 4 ASN HA 3 7 ILE MG . . 5.500 3.695 3.609 3.726 . 0 0 "[ . 1]" 1
402 3 4 ASN QB 3 7 ILE MD . . 3.300 3.261 3.193 3.302 0.002 9 0 "[ . 1]" 1
403 3 4 ASN QB 3 7 ILE HG13 . . 3.700 3.818 3.751 3.836 0.136 9 0 "[ . 1]" 1
404 3 4 ASN QB 3 8 ILE MD . . 4.200 4.031 3.672 4.201 0.001 7 0 "[ . 1]" 1
405 3 5 LEU H 3 5 LEU HA . . 3.000 2.739 2.737 2.743 . 0 0 "[ . 1]" 1
406 3 5 LEU H 3 5 LEU HG . . 2.900 2.498 2.246 2.584 . 0 0 "[ . 1]" 1
407 3 5 LEU HA 3 6 GLU H . . 3.700 3.602 3.599 3.606 . 0 0 "[ . 1]" 1
408 3 5 LEU HA 3 8 ILE H . . 3.700 3.467 3.448 3.507 . 0 0 "[ . 1]" 1
409 3 5 LEU HA 3 8 ILE HB . . 3.200 3.043 2.953 3.120 . 0 0 "[ . 1]" 1
410 3 5 LEU HA 3 8 ILE MD . . 3.600 2.393 2.055 2.642 . 0 0 "[ . 1]" 1
411 3 5 LEU HA 3 8 ILE MG . . 4.600 4.364 4.288 4.428 . 0 0 "[ . 1]" 1
412 3 5 LEU HA 3 9 ILE H . . 4.500 4.512 4.499 4.520 0.020 4 0 "[ . 1]" 1
413 3 5 LEU QD 3 8 ILE HB . . 3.500 3.448 3.369 3.513 0.013 9 0 "[ . 1]" 1
414 3 6 GLU H 3 6 GLU HA . . 3.000 2.853 2.849 2.859 . 0 0 "[ . 1]" 1
415 3 6 GLU H 3 7 ILE H . . 3.000 2.582 2.561 2.596 . 0 0 "[ . 1]" 1
416 3 7 ILE H 3 7 ILE HA . . 3.000 2.853 2.850 2.854 . 0 0 "[ . 1]" 1
417 3 7 ILE H 3 7 ILE HB . . 2.700 2.622 2.608 2.643 . 0 0 "[ . 1]" 1
418 3 7 ILE H 3 7 ILE QG . . 3.000 1.889 1.871 1.896 . 0 0 "[ . 1]" 1
419 3 7 ILE HA 3 8 ILE H . . 3.700 3.535 3.531 3.543 . 0 0 "[ . 1]" 1
420 3 7 ILE HA 3 10 LEU HB2 . . 3.300 2.330 2.304 2.375 . 0 0 "[ . 1]" 1
421 3 7 ILE HA 3 10 LEU HG . . 4.000 4.090 4.085 4.104 0.104 3 0 "[ . 1]" 1
422 3 7 ILE HA 3 11 GLU H . . 4.500 3.309 3.201 3.475 . 0 0 "[ . 1]" 1
423 3 7 ILE HB 3 7 ILE HG13 . . 2.800 2.379 2.375 2.385 . 0 0 "[ . 1]" 1
424 3 7 ILE HG12 3 7 ILE MG . . 2.600 2.471 2.462 2.477 . 0 0 "[ . 1]" 1
425 3 7 ILE MG 3 11 GLU HA . . 4.400 4.499 4.481 4.511 0.111 7 0 "[ . 1]" 1
426 3 8 ILE H 3 8 ILE HA . . 3.000 2.901 2.898 2.903 . 0 0 "[ . 1]" 1
427 3 8 ILE H 3 8 ILE HB . . 2.700 2.305 2.247 2.378 . 0 0 "[ . 1]" 1
428 3 8 ILE H 3 8 ILE HG13 . . 2.900 2.499 2.306 2.675 . 0 0 "[ . 1]" 1
429 3 8 ILE H 3 9 ILE H . . 3.000 2.473 2.467 2.493 . 0 0 "[ . 1]" 1
430 3 8 ILE HA 3 9 ILE H . . 3.700 3.586 3.584 3.590 . 0 0 "[ . 1]" 1
431 3 8 ILE HA 3 11 GLU HB2 . . 3.300 2.741 2.532 2.859 . 0 0 "[ . 1]" 1
432 3 9 ILE H 3 9 ILE HA . . 2.700 2.900 2.889 2.904 0.204 4 0 "[ . 1]" 1
433 3 9 ILE HA 3 10 LEU H . . 3.100 3.503 3.497 3.519 0.419 2 0 "[ . 1]" 1
434 3 10 LEU H 3 10 LEU HA . . 3.000 2.930 2.923 2.932 . 0 0 "[ . 1]" 1
435 3 10 LEU H 3 10 LEU HB2 . . 2.700 2.242 2.239 2.248 . 0 0 "[ . 1]" 1
436 3 10 LEU H 3 10 LEU HG . . 2.900 2.770 2.727 2.784 . 0 0 "[ . 1]" 1
437 3 10 LEU H 3 11 GLU H . . 3.000 2.404 2.343 2.455 . 0 0 "[ . 1]" 1
438 3 10 LEU HA 3 11 GLU H . . 3.700 3.599 3.582 3.610 . 0 0 "[ . 1]" 1
439 3 10 LEU HA 3 13 THR MG . . 4.400 3.860 3.640 3.943 . 0 0 "[ . 1]" 1
440 3 11 GLU H 3 11 GLU HA . . 2.800 2.822 2.812 2.827 0.027 1 0 "[ . 1]" 1
441 3 11 GLU H 3 11 GLU HG2 . . 3.000 2.373 2.209 2.628 . 0 0 "[ . 1]" 1
442 3 11 GLU H 3 12 GLY H . . 3.000 2.735 2.709 2.786 . 0 0 "[ . 1]" 1
443 3 11 GLU HA 3 11 GLU HB3 . . 2.700 2.582 2.546 2.648 . 0 0 "[ . 1]" 1
444 3 11 GLU HA 3 14 ALA MB . . 3.300 2.456 2.387 2.647 . 0 0 "[ . 1]" 1
445 3 11 GLU HA 3 15 VAL H . . 4.500 4.101 4.049 4.204 . 0 0 "[ . 1]" 1
446 3 12 GLY H 3 12 GLY HA3 . . 2.600 2.305 2.302 2.307 . 0 0 "[ . 1]" 1
447 3 12 GLY H 3 13 THR H . . 3.000 2.693 2.657 2.763 . 0 0 "[ . 1]" 1
448 3 12 GLY HA2 3 15 VAL QG . . 3.500 3.389 3.158 3.456 . 0 0 "[ . 1]" 1
449 3 13 THR H 3 13 THR HB . . 2.800 2.406 2.370 2.438 . 0 0 "[ . 1]" 1
450 3 13 THR H 3 14 ALA H . . 3.000 2.691 2.667 2.819 . 0 0 "[ . 1]" 1
451 3 13 THR HA 3 14 ALA H . . 3.700 3.514 3.503 3.564 . 0 0 "[ . 1]" 1
452 3 13 THR HA 3 16 ILE H . . 3.700 3.436 3.389 3.462 . 0 0 "[ . 1]" 1
453 3 13 THR HA 3 16 ILE HB . . 3.600 1.933 1.887 1.965 . 0 0 "[ . 1]" 1
454 3 13 THR HA 3 16 ILE MD . . 3.600 2.133 1.795 2.347 . 0 0 "[ . 1]" 1
455 3 14 ALA H 3 14 ALA HA . . 3.000 2.862 2.829 2.872 . 0 0 "[ . 1]" 1
456 3 14 ALA H 3 15 VAL H . . 3.000 2.834 2.811 2.926 . 0 0 "[ . 1]" 1
457 3 14 ALA HA 3 17 ALA MB . . 3.300 3.298 3.285 3.310 0.010 5 0 "[ . 1]" 1
458 3 14 ALA MB 3 15 VAL H . . 2.900 2.242 2.163 2.283 . 0 0 "[ . 1]" 1
459 3 14 ALA MB 3 15 VAL HA . . 4.500 3.767 3.745 3.787 . 0 0 "[ . 1]" 1
460 3 15 VAL H 3 15 VAL HA . . 2.900 2.864 2.846 2.870 . 0 0 "[ . 1]" 1
461 3 15 VAL H 3 15 VAL HB . . 2.700 2.710 2.696 2.723 0.023 3 0 "[ . 1]" 1
462 3 15 VAL H 3 15 VAL QG . . 2.400 1.900 1.795 1.956 . 0 0 "[ . 1]" 1
463 3 15 VAL H 3 16 ILE H . . 3.000 2.542 2.523 2.595 . 0 0 "[ . 1]" 1
464 3 15 VAL HA 3 18 MET H . . 3.700 3.647 3.565 3.683 . 0 0 "[ . 1]" 1
465 3 15 VAL HA 3 18 MET HB3 . . 3.700 3.718 3.682 3.732 0.032 7 0 "[ . 1]" 1
466 3 15 VAL QG 3 18 MET ME . . 3.500 3.277 1.997 3.451 . 0 0 "[ . 1]" 1
467 3 15 VAL QG 3 19 PHE QB . . 3.700 3.645 3.575 3.673 . 0 0 "[ . 1]" 1
468 3 15 VAL QG 3 19 PHE QR . . 3.900 3.402 2.912 3.846 . 0 0 "[ . 1]" 1
469 3 16 ILE H 3 16 ILE HA . . 3.000 2.896 2.877 2.904 . 0 0 "[ . 1]" 1
470 3 16 ILE H 3 17 ALA H . . 3.000 2.755 2.728 2.814 . 0 0 "[ . 1]" 1
471 3 16 ILE HA 3 19 PHE H . . 3.700 3.625 3.587 3.660 . 0 0 "[ . 1]" 1
472 3 16 ILE HA 3 19 PHE QB . . 3.300 3.080 2.826 3.300 0.000 3 0 "[ . 1]" 1
473 3 16 ILE MG 3 20 PHE QR . . 3.300 2.610 1.873 2.838 . 0 0 "[ . 1]" 1
474 3 17 ALA H 3 17 ALA HA . . 3.000 2.784 2.780 2.796 . 0 0 "[ . 1]" 1
475 3 17 ALA H 3 18 MET H . . 3.000 2.770 2.725 2.792 . 0 0 "[ . 1]" 1
476 3 18 MET H 3 18 MET HA . . 3.000 2.856 2.832 2.879 . 0 0 "[ . 1]" 1
477 3 18 MET H 3 19 PHE H . . 3.000 2.812 2.743 2.884 . 0 0 "[ . 1]" 1
478 3 18 MET ME 3 22 LEU QD . . 4.300 3.079 2.527 3.840 . 0 0 "[ . 1]" 1
479 3 19 PHE H 3 19 PHE HA . . 3.000 2.807 2.779 2.846 . 0 0 "[ . 1]" 1
480 3 19 PHE H 3 19 PHE QB . . 2.700 2.062 1.991 2.104 . 0 0 "[ . 1]" 1
481 3 19 PHE HA 3 22 LEU HB2 . . 3.700 2.614 2.205 3.394 . 0 0 "[ . 1]" 1
482 3 19 PHE HA 3 22 LEU QD . . 3.700 2.933 2.281 3.701 0.001 5 0 "[ . 1]" 1
483 3 20 PHE HA 3 23 LEU QB . . 3.700 2.952 2.308 3.715 0.015 5 0 "[ . 1]" 1
484 3 20 PHE HA 3 23 LEU QD . . 3.700 2.253 1.815 2.668 . 0 0 "[ . 1]" 1
485 3 20 PHE QB 3 23 LEU QD . . 4.000 3.965 3.419 4.345 0.345 3 0 "[ . 1]" 1
486 3 22 LEU H 3 23 LEU H . . 3.000 2.693 2.471 2.828 . 0 0 "[ . 1]" 1
487 3 22 LEU HA 3 25 VAL H . . 3.900 3.433 3.247 3.675 . 0 0 "[ . 1]" 1
488 3 22 LEU HA 3 25 VAL HB . . 3.600 2.613 2.090 3.266 . 0 0 "[ . 1]" 1
489 3 22 LEU HA 3 25 VAL MG2 . . 3.500 2.899 2.471 3.349 . 0 0 "[ . 1]" 1
490 3 22 LEU QD 3 25 VAL HB . . 3.600 3.308 2.686 3.600 . 0 0 "[ . 1]" 1
491 3 23 LEU H 3 23 LEU HG . . 3.000 2.632 2.186 2.998 . 0 0 "[ . 1]" 1
492 3 23 LEU H 3 24 LEU H . . 3.000 2.726 2.635 2.816 . 0 0 "[ . 1]" 1
493 3 23 LEU HA 3 26 ILE H . . 3.700 3.323 3.110 3.528 . 0 0 "[ . 1]" 1
494 3 23 LEU HA 3 26 ILE HB . . 3.300 2.612 2.117 3.239 . 0 0 "[ . 1]" 1
495 3 23 LEU HA 3 26 ILE HG13 . . 4.200 3.660 3.082 4.201 0.001 1 0 "[ . 1]" 1
496 3 23 LEU QD 3 26 ILE HB . . 3.700 3.627 3.419 3.723 0.023 6 0 "[ . 1]" 1
497 3 24 LEU HA 3 27 ILE H . . 3.700 3.386 3.205 3.564 . 0 0 "[ . 1]" 1
498 3 24 LEU HA 3 27 ILE HB . . 3.300 2.696 2.270 3.258 . 0 0 "[ . 1]" 1
499 3 24 LEU HA 3 27 ILE MD . . 3.000 2.514 2.162 2.837 . 0 0 "[ . 1]" 1
500 3 24 LEU HA 3 28 LEU H . . 4.500 3.984 3.645 4.213 . 0 0 "[ . 1]" 1
501 3 24 LEU HA 3 28 LEU HG . . 4.000 3.959 3.803 4.001 0.001 4 0 "[ . 1]" 1
502 3 25 VAL H 3 25 VAL HA . . 3.000 2.871 2.840 2.902 . 0 0 "[ . 1]" 1
503 3 25 VAL H 3 25 VAL HB . . 2.700 2.347 2.264 2.515 . 0 0 "[ . 1]" 1
504 3 25 VAL H 3 26 ILE H . . 3.000 2.543 2.442 2.656 . 0 0 "[ . 1]" 1
505 3 25 VAL HA 3 26 ILE H . . 3.700 3.551 3.494 3.591 . 0 0 "[ . 1]" 1
506 3 25 VAL HA 3 28 LEU H . . 3.600 3.426 3.295 3.598 . 0 0 "[ . 1]" 1
507 3 25 VAL HA 3 28 LEU HB2 . . 3.300 2.548 2.281 2.999 . 0 0 "[ . 1]" 1
508 3 25 VAL HA 3 28 LEU MD1 . . 3.200 2.967 2.676 3.196 . 0 0 "[ . 1]" 1
509 3 25 VAL HA 3 29 ARG H . . 4.400 3.771 3.493 4.084 . 0 0 "[ . 1]" 1
510 3 26 ILE H 3 26 ILE HA . . 3.000 2.875 2.851 2.890 . 0 0 "[ . 1]" 1
511 3 26 ILE H 3 26 ILE HB . . 2.700 2.288 2.249 2.346 . 0 0 "[ . 1]" 1
512 3 26 ILE H 3 27 ILE H . . 3.000 2.549 2.454 2.635 . 0 0 "[ . 1]" 1
513 3 26 ILE HA 3 27 ILE H . . 3.700 3.572 3.534 3.600 . 0 0 "[ . 1]" 1
514 3 26 ILE HA 3 29 ARG H . . 3.700 3.522 3.407 3.622 . 0 0 "[ . 1]" 1
515 3 26 ILE HA 3 29 ARG QB . . 3.300 2.597 2.370 2.826 . 0 0 "[ . 1]" 1
516 3 26 ILE HA 3 29 ARG QD . . 3.900 3.412 3.194 3.780 . 0 0 "[ . 1]" 1
517 3 26 ILE MG 3 30 THR HB . . 3.600 3.592 3.537 3.603 0.003 6 0 "[ . 1]" 1
518 3 26 ILE MG 3 30 THR HG1 . . 3.600 2.610 2.058 3.221 . 0 0 "[ . 1]" 1
519 3 27 ILE H 3 27 ILE HA . . 3.000 2.874 2.860 2.885 . 0 0 "[ . 1]" 1
520 3 27 ILE H 3 27 ILE HB . . 2.700 2.320 2.256 2.382 . 0 0 "[ . 1]" 1
521 3 27 ILE HA 3 28 LEU H . . 3.600 3.580 3.560 3.602 0.002 1 0 "[ . 1]" 1
522 3 27 ILE HA 3 30 THR H . . 3.700 3.581 3.300 3.692 . 0 0 "[ . 1]" 1
523 3 27 ILE HA 3 30 THR HB . . 3.300 2.523 2.348 2.696 . 0 0 "[ . 1]" 1
524 3 27 ILE HA 3 30 THR MG . . 5.000 3.766 3.636 3.946 . 0 0 "[ . 1]" 1
525 3 27 ILE HA 3 31 VAL MG2 . . 3.700 3.656 3.579 3.699 . 0 0 "[ . 1]" 1
526 3 27 ILE HB 3 28 LEU H . . 2.900 2.670 2.497 2.777 . 0 0 "[ . 1]" 1
527 3 27 ILE MG 3 28 LEU HA . . 3.700 3.350 3.221 3.482 . 0 0 "[ . 1]" 1
528 3 27 ILE MG 3 31 VAL HB . . 4.200 4.026 3.927 4.206 0.006 1 0 "[ . 1]" 1
529 3 28 LEU H 3 28 LEU HA . . 2.900 2.865 2.842 2.884 . 0 0 "[ . 1]" 1
530 3 28 LEU H 3 28 LEU HB2 . . 2.700 2.296 2.213 2.425 . 0 0 "[ . 1]" 1
531 3 28 LEU H 3 28 LEU HG . . 2.700 2.409 2.113 2.613 . 0 0 "[ . 1]" 1
532 3 28 LEU H 3 29 ARG H . . 3.000 2.600 2.498 2.691 . 0 0 "[ . 1]" 1
533 3 28 LEU HA 3 28 LEU MD2 . . 3.000 1.854 1.781 2.004 . 0 0 "[ . 1]" 1
534 3 28 LEU HA 3 31 VAL HB . . 3.300 2.807 2.692 2.885 . 0 0 "[ . 1]" 1
535 3 28 LEU HA 3 32 LYS H . . 4.500 3.929 3.778 4.213 . 0 0 "[ . 1]" 1
536 3 28 LEU MD2 3 31 VAL HB . . 3.700 3.677 3.645 3.705 0.005 9 0 "[ . 1]" 1
537 3 29 ARG H 3 29 ARG HA . . 2.900 2.868 2.845 2.898 . 0 0 "[ . 1]" 1
538 3 29 ARG H 3 30 THR H . . 3.000 2.623 2.442 2.726 . 0 0 "[ . 1]" 1
539 3 29 ARG HA 3 32 LYS H . . 3.700 3.386 3.206 3.593 . 0 0 "[ . 1]" 1
540 3 29 ARG HA 3 32 LYS QB . . 3.600 2.512 2.168 3.519 . 0 0 "[ . 1]" 1
541 3 30 THR H 3 30 THR HA . . 2.800 2.814 2.790 2.865 0.065 1 0 "[ . 1]" 1
542 3 30 THR H 3 30 THR HB . . 2.800 2.306 2.265 2.326 . 0 0 "[ . 1]" 1
543 3 30 THR H 3 31 VAL H . . 3.000 2.749 2.543 2.855 . 0 0 "[ . 1]" 1
544 3 30 THR HA 3 31 VAL H . . 3.300 3.582 3.541 3.602 0.302 8 0 "[ . 1]" 1
545 3 30 THR HA 3 33 ARG H . . 3.700 3.641 3.515 3.717 0.017 9 0 "[ . 1]" 1
546 3 30 THR HA 3 33 ARG HB2 . . 3.300 3.118 2.811 3.304 0.004 8 0 "[ . 1]" 1
547 3 30 THR HB 3 31 VAL H . . 3.000 2.665 2.525 2.895 . 0 0 "[ . 1]" 1
548 3 30 THR HB 3 31 VAL MG2 . . 3.700 3.360 3.312 3.429 . 0 0 "[ . 1]" 1
549 3 30 THR MG 3 31 VAL H . . 3.600 3.185 3.000 3.364 . 0 0 "[ . 1]" 1
550 3 30 THR MG 3 31 VAL HA . . 4.200 3.285 3.154 3.383 . 0 0 "[ . 1]" 1
551 3 31 VAL H 3 31 VAL HA . . 3.000 2.867 2.823 2.899 . 0 0 "[ . 1]" 1
552 3 31 VAL H 3 31 VAL HB . . 2.700 2.334 2.309 2.363 . 0 0 "[ . 1]" 1
553 3 31 VAL H 3 31 VAL MG2 . . 3.000 2.368 2.278 2.447 . 0 0 "[ . 1]" 1
554 3 31 VAL H 3 32 LYS H . . 3.000 2.633 2.479 2.825 . 0 0 "[ . 1]" 1
555 3 31 VAL HA 3 32 LYS H . . 3.700 3.597 3.580 3.615 . 0 0 "[ . 1]" 1
556 3 31 VAL HA 3 34 ALA H . . 4.000 4.009 4.001 4.020 0.020 1 0 "[ . 1]" 1
557 3 31 VAL HA 3 34 ALA MB . . 3.300 2.357 2.280 2.498 . 0 0 "[ . 1]" 1
558 3 31 VAL HB 3 32 LYS H . . 3.000 2.528 2.285 2.660 . 0 0 "[ . 1]" 1
559 3 31 VAL MG1 3 32 LYS HA . . 3.800 3.297 3.201 3.421 . 0 0 "[ . 1]" 1
560 3 32 LYS H 3 32 LYS HA . . 3.000 2.789 2.775 2.810 . 0 0 "[ . 1]" 1
561 3 32 LYS H 3 33 ARG H . . 3.000 2.755 2.696 2.804 . 0 0 "[ . 1]" 1
562 3 32 LYS HA 3 33 ARG H . . 3.600 3.538 3.505 3.559 . 0 0 "[ . 1]" 1
563 3 32 LYS HA 3 35 ASN QB . . 4.200 3.591 3.345 3.804 . 0 0 "[ . 1]" 1
564 3 33 ARG H 3 33 ARG HA . . 2.900 2.959 2.952 2.967 0.067 6 0 "[ . 1]" 1
565 3 33 ARG H 3 34 ALA H . . 3.300 2.952 2.858 3.027 . 0 0 "[ . 1]" 1
566 3 33 ARG HA 3 34 ALA MB . . 4.500 4.538 4.509 4.566 0.066 1 0 "[ . 1]" 1
567 3 34 ALA H 3 34 ALA HA . . 3.000 2.962 2.954 2.967 . 0 0 "[ . 1]" 1
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