NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628317 |
5o57   |
34146 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5o57
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 579
_Distance_constraint_stats_list.Viol_count 490
_Distance_constraint_stats_list.Viol_total 364.594
_Distance_constraint_stats_list.Viol_max 0.294
_Distance_constraint_stats_list.Viol_rms 0.0034
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0106
_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 4 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 23 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 24 CYS 0.003 0.003 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 26 SER 0.003 0.003 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 29 ASP 0.000 0.000 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 30 CYS 0.061 0.028 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 31 ASN 0.019 0.004 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 32 THR 0.282 0.107 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 33 ARG 0.263 0.107 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 34 LYS 0.128 0.028 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 35 PHE 0.252 0.120 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 36 CYS 0.123 0.120 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 37 LEU 0.128 0.028 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 38 GLN 1.364 0.156 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 39 PRO 0.006 0.006 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 40 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 42 GLU 0.006 0.006 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 44 PRO 0.025 0.010 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 45 PHE 0.061 0.028 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 46 CYS 0.003 0.002 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 47 ALA 0.037 0.011 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 48 THR 0.607 0.042 63 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 49 CYS 0.678 0.042 63 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 50 ARG 0.132 0.021 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 51 GLY 0.050 0.011 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 52 LEU 0.104 0.009 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 53 ARG 0.114 0.037 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 54 ARG 0.075 0.018 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 55 ARG 0.307 0.030 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 56 CYS 0.029 0.004 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 57 GLN 0.000 0.000 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 58 ARG 0.069 0.011 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 59 ASP 0.218 0.158 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 60 ALA 0.259 0.158 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 61 MET 0.162 0.051 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 62 CYS 0.015 0.004 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 63 CYS 0.006 0.005 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 64 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 65 GLY 0.001 0.001 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 66 THR 0.134 0.014 66 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 67 LEU 0.300 0.021 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 68 CYS 0.216 0.021 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 69 VAL 0.037 0.008 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 70 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 72 VAL 0.323 0.030 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 73 CYS 0.242 0.037 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 74 THR 0.091 0.008 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 75 THR 0.261 0.241 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 76 MET 0.000 0.000 61 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 77 GLU 0.241 0.241 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 78 ASP 0.000 0.000 61 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 79 ALA 0.000 0.000 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 80 THR 0.294 0.294 65 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 81 GLU 0.294 0.294 65 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 83 LEU 0.352 0.105 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 84 TYR 0.059 0.013 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 85 PHE 0.120 0.073 70 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LEU HA 1 4 LEU QD . . 3.660 2.602 1.850 3.458 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
2 1 10 ARG QB 1 10 ARG QD . . 3.260 2.102 1.952 2.422 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
3 1 15 LEU HA 1 15 LEU QD . . 4.160 2.661 1.889 3.471 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
4 1 20 LYS HA 1 20 LYS HD2 . . 5.420 4.107 2.137 5.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
5 1 20 LYS HA 1 20 LYS QD . . 4.650 3.633 2.121 4.289 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
6 1 20 LYS HA 1 20 LYS HD3 . . 5.420 4.233 2.294 5.273 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
7 1 23 GLN HA 1 23 GLN QG . . 3.610 2.349 2.005 3.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
8 1 23 GLN QB 1 24 CYS H . . 3.650 2.431 1.957 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
9 1 23 GLN HB2 1 24 CYS H . . 4.390 2.953 2.069 3.924 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
10 1 23 GLN HB3 1 24 CYS H . . 4.390 2.779 1.968 4.117 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
11 1 23 GLN QG 1 24 CYS H . . 5.150 4.053 1.920 4.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
12 1 24 CYS HA 1 26 SER H . . 4.020 3.935 3.822 4.023 0.003 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
13 1 24 CYS HA 1 29 ASP HB2 . . 4.300 3.836 2.932 4.300 0.000 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
14 1 24 CYS HA 1 29 ASP QB . . 3.730 3.127 2.480 3.635 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
15 1 24 CYS HA 1 29 ASP HB3 . . 4.300 3.365 2.545 4.119 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
16 1 24 CYS QB 1 25 LEU H . . 3.870 2.822 2.468 2.932 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
17 1 24 CYS QB 1 26 SER H . . 3.750 2.938 2.731 3.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
18 1 24 CYS QB 1 29 ASP H . . 4.200 4.056 3.404 4.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
19 1 24 CYS QB 1 29 ASP QB . . 3.740 2.092 1.798 2.729 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
20 1 25 LEU H 1 25 LEU QB . . 3.640 2.199 2.038 2.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
21 1 25 LEU H 1 25 LEU QD . . 4.360 3.257 2.428 3.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
22 1 25 LEU H 1 26 SER H . . 3.330 2.207 1.916 2.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
23 1 25 LEU HA 1 25 LEU MD1 . . 3.780 3.075 2.113 3.777 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
24 1 25 LEU HA 1 25 LEU QD . . 3.030 2.620 1.919 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
25 1 25 LEU HA 1 25 LEU MD2 . . 3.780 3.221 2.063 3.777 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
26 1 25 LEU HA 1 25 LEU HG . . 3.900 2.406 2.113 3.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
27 1 25 LEU QB 1 26 SER H . . 3.540 2.889 2.656 2.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
28 1 25 LEU HB2 1 26 SER H . . 4.120 3.337 2.778 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
29 1 25 LEU HB3 1 26 SER H . . 4.120 3.267 2.721 3.764 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
30 1 26 SER H 1 29 ASP H . . 4.400 3.452 3.120 3.931 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
31 1 26 SER H 1 29 ASP HB2 . . 4.480 2.440 1.955 3.304 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
32 1 26 SER H 1 29 ASP QB . . 3.930 2.377 1.904 3.223 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
33 1 26 SER H 1 29 ASP HB3 . . 4.480 3.474 2.103 4.479 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
34 1 27 ASP HA 1 36 CYS H . . 4.100 2.577 1.949 3.826 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
35 1 27 ASP HA 1 36 CYS HB2 . . 4.350 2.668 1.994 3.208 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
36 1 27 ASP HA 1 36 CYS QB . . 3.800 2.589 1.963 3.015 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
37 1 27 ASP HA 1 36 CYS HB3 . . 4.350 3.876 2.373 4.349 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
38 1 27 ASP QB 1 36 CYS QB . . 4.060 3.723 2.882 4.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
39 1 28 THR HA 1 28 THR MG . . 3.240 2.202 1.966 3.201 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
40 1 29 ASP H 1 29 ASP HB2 . . 3.780 2.240 2.068 2.606 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
41 1 29 ASP H 1 29 ASP QB . . 3.290 2.163 2.046 2.377 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
42 1 29 ASP H 1 29 ASP HB3 . . 3.780 3.030 2.470 3.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
43 1 30 CYS H 1 30 CYS HB2 . . 3.740 2.250 2.057 2.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
44 1 30 CYS H 1 30 CYS HB3 . . 3.740 3.203 2.400 3.761 0.021 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
45 1 30 CYS QB 1 34 LYS H . . 4.250 3.837 2.946 4.278 0.028 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
46 1 30 CYS QB 1 34 LYS HA . . 5.340 4.795 4.186 5.337 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
47 1 30 CYS QB 1 34 LYS QB . . 3.870 2.667 1.926 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
48 1 31 ASN QB 1 32 THR H . . 3.720 2.455 1.921 3.724 0.004 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
49 1 31 ASN HB2 1 32 THR H . . 4.380 3.273 1.947 4.314 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
50 1 31 ASN HB3 1 32 THR H . . 4.380 2.683 1.949 4.339 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
51 1 32 THR H 1 32 THR MG . . 4.250 3.353 1.923 4.054 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
52 1 32 THR HA 1 32 THR MG . . 3.260 2.416 1.967 3.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
53 1 32 THR HA 1 34 LYS H . . 4.990 4.235 3.233 4.982 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
54 1 32 THR HB 1 33 ARG H . . 4.160 2.975 1.938 4.267 0.107 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
55 1 32 THR MG 1 33 ARG QD . . 4.270 3.476 2.184 4.309 0.039 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
56 1 32 THR MG 1 33 ARG QG . . 4.100 3.226 1.954 4.130 0.030 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
57 1 33 ARG H 1 34 LYS H . . 3.910 3.074 2.362 3.874 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
58 1 34 LYS H 1 34 LYS HB2 . . 4.060 2.724 2.365 2.959 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
59 1 34 LYS H 1 34 LYS HB3 . . 4.060 3.760 3.183 3.941 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
60 1 34 LYS H 1 34 LYS QD . . 5.340 4.041 2.885 5.143 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
61 1 34 LYS H 1 34 LYS QG . . 5.000 3.443 2.590 4.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
62 1 34 LYS HA 1 48 THR HA . . 4.170 3.783 2.755 4.176 0.006 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
63 1 34 LYS HA 1 49 CYS H . . 4.260 3.791 2.794 4.261 0.001 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
64 1 34 LYS QB 1 35 PHE H . . 3.630 2.645 2.249 3.057 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
65 1 34 LYS HB2 1 35 PHE H . . 4.150 3.879 3.225 4.157 0.007 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
66 1 34 LYS HB3 1 35 PHE H . . 4.150 2.694 2.285 3.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
67 1 34 LYS QD 1 35 PHE H . . 5.340 4.801 4.077 5.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
68 1 34 LYS QD 1 48 THR HA . . 4.200 3.278 1.990 4.204 0.004 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
69 1 34 LYS HD2 1 48 THR HA . . 4.890 4.152 2.272 4.901 0.011 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
70 1 34 LYS HD3 1 48 THR HA . . 4.890 3.623 2.000 4.890 0.000 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
71 1 34 LYS QE 1 48 THR HA . . 4.220 3.003 2.066 4.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
72 1 34 LYS QE 1 48 THR MG . . 4.770 2.734 1.780 4.636 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
73 1 34 LYS HE2 1 48 THR HA . . 4.930 3.438 2.090 4.938 0.008 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
74 1 34 LYS HE2 1 48 THR MG . . 5.500 3.142 1.881 5.478 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
75 1 34 LYS HE3 1 48 THR HA . . 4.930 3.671 2.103 4.928 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
76 1 34 LYS HE3 1 48 THR MG . . 5.500 3.398 1.952 5.448 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
77 1 34 LYS QG 1 35 PHE H . . 4.820 3.651 2.262 4.158 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
78 1 34 LYS QG 1 48 THR HA . . 3.660 2.127 1.892 2.734 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
79 1 34 LYS QG 1 49 CYS H . . 4.030 2.916 1.958 3.688 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
80 1 34 LYS HG2 1 48 THR HA . . 4.320 2.243 1.990 3.809 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
81 1 34 LYS HG3 1 48 THR HA . . 4.320 3.180 2.056 4.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
82 1 35 PHE H 1 35 PHE QB . . 3.680 2.885 2.262 3.129 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
83 1 35 PHE H 1 35 PHE QD . . 3.970 2.673 1.939 3.987 0.017 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
84 1 35 PHE H 1 47 ALA H . . 4.300 4.123 3.577 4.302 0.002 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
85 1 35 PHE QB 1 36 CYS H . . 3.710 2.549 2.140 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
86 1 35 PHE HB2 1 36 CYS H . . 4.350 2.597 2.158 3.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
87 1 35 PHE HB3 1 36 CYS H . . 4.350 3.822 3.532 4.183 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
88 1 35 PHE QD 1 36 CYS H . . 4.170 3.438 2.430 3.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
89 1 35 PHE QD 1 36 CYS HA . . 4.270 4.048 3.564 4.390 0.120 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
90 1 35 PHE QD 1 61 MET HA . . 4.170 3.802 2.447 4.173 0.003 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
91 1 35 PHE QD 1 61 MET ME . . 4.910 4.479 3.541 4.911 0.001 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
92 1 35 PHE QE 1 37 LEU HA . . 4.290 3.594 2.197 4.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
93 1 35 PHE QE 1 37 LEU HB2 . . 4.470 2.261 1.989 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
94 1 35 PHE QE 1 37 LEU HB3 . . 4.210 3.820 2.959 4.234 0.024 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
95 1 35 PHE QE 1 37 LEU MD1 . . 4.360 2.750 1.897 4.336 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
96 1 35 PHE QE 1 37 LEU QD . . 3.560 2.212 1.893 2.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
97 1 35 PHE QE 1 37 LEU MD2 . . 4.360 3.477 1.928 4.349 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
98 1 35 PHE QE 1 47 ALA MB . . 4.010 2.724 1.950 3.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
99 1 35 PHE QE 1 61 MET ME . . 4.150 3.533 2.901 4.150 0.000 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
100 1 35 PHE HZ 1 37 LEU QD . . 4.110 3.277 1.898 4.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
101 1 35 PHE HZ 1 47 ALA MB . . 4.260 3.214 2.232 4.271 0.011 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
102 1 35 PHE HZ 1 61 MET ME . . 4.380 3.745 2.691 4.381 0.001 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
103 1 36 CYS H 1 36 CYS HB2 . . 4.030 2.407 2.080 2.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
104 1 36 CYS H 1 36 CYS QB . . 3.520 2.240 2.060 2.443 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
105 1 36 CYS H 1 36 CYS HB3 . . 4.030 3.028 2.401 3.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
106 1 36 CYS HA 1 37 LEU H . . 3.470 2.189 2.139 2.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
107 1 36 CYS HA 1 45 PHE H . . 5.500 4.922 4.321 5.464 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
108 1 36 CYS HA 1 46 CYS HA . . 4.060 2.632 2.000 3.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
109 1 37 LEU H 1 37 LEU HB2 . . 3.810 2.588 2.168 2.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
110 1 37 LEU H 1 37 LEU HB3 . . 3.760 2.575 2.328 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
111 1 37 LEU H 1 45 PHE H . . 4.230 3.992 3.652 4.232 0.002 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
112 1 37 LEU H 1 46 CYS HA . . 4.180 3.160 2.531 4.182 0.002 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
113 1 37 LEU H 1 47 ALA H . . 4.370 2.945 2.510 3.602 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
114 1 37 LEU HA 1 37 LEU MD1 . . 4.240 2.760 2.155 3.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
115 1 37 LEU HA 1 37 LEU QD . . 3.540 2.550 1.898 3.053 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
116 1 37 LEU HA 1 37 LEU MD2 . . 4.240 3.390 1.924 3.961 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
117 1 37 LEU HA 1 38 GLN H . . 3.280 2.159 2.139 2.208 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
118 1 37 LEU HA 1 47 ALA MB . . 4.460 4.390 3.812 4.463 0.003 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
119 1 37 LEU HB2 1 47 ALA MB . . 4.000 2.380 1.909 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
120 1 37 LEU HB3 1 45 PHE H . . 4.570 3.928 3.337 4.490 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
121 1 37 LEU HB3 1 45 PHE QE . . 4.670 3.229 1.998 4.099 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
122 1 37 LEU QD 1 38 GLN H . . 3.480 3.026 2.186 3.481 0.001 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
123 1 37 LEU QD 1 39 PRO QD . . 4.350 2.098 1.852 2.778 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
124 1 37 LEU QD 1 39 PRO QG . . 4.060 2.937 2.638 3.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
125 1 37 LEU QD 1 45 PHE H . . 5.070 4.283 3.936 4.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
126 1 37 LEU QD 1 45 PHE QD . . 3.740 3.675 3.333 3.768 0.028 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
127 1 37 LEU QD 1 45 PHE QE . . 3.840 2.287 1.961 2.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
128 1 37 LEU QD 1 47 ALA MB . . 3.790 2.718 1.922 3.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
129 1 37 LEU QD 1 61 MET ME . . 3.840 3.119 1.882 3.843 0.003 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
130 1 37 LEU MD1 1 38 GLN H . . 4.410 3.338 2.213 4.408 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
131 1 37 LEU MD2 1 38 GLN H . . 4.410 3.818 2.436 4.410 0.000 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
132 1 37 LEU HG 1 38 GLN H . . 5.080 3.254 2.336 5.094 0.014 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
133 1 38 GLN H 1 38 GLN HB2 . . 3.920 3.398 2.635 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
134 1 38 GLN H 1 38 GLN HB3 . . 3.920 3.312 2.427 3.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
135 1 38 GLN H 1 38 GLN HG2 . . 4.490 3.174 1.954 4.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
136 1 38 GLN H 1 38 GLN QG . . 3.760 2.522 1.928 3.916 0.156 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
137 1 38 GLN H 1 38 GLN HG3 . . 4.490 2.856 1.961 4.414 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
138 1 38 GLN HA 1 39 PRO HD2 . . 3.990 1.944 1.934 1.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
139 1 38 GLN HA 1 39 PRO QD . . 3.480 1.900 1.889 1.902 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
140 1 38 GLN HA 1 39 PRO HD3 . . 3.990 2.680 2.655 2.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
141 1 38 GLN HA 1 44 PRO HA . . 4.100 2.041 1.994 2.169 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
142 1 38 GLN HA 1 44 PRO QB . . 4.430 2.847 2.567 3.075 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
143 1 38 GLN HA 1 44 PRO HD3 . . 4.670 4.550 4.070 4.680 0.010 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
144 1 38 GLN HA 1 44 PRO QG . . 5.090 4.667 4.353 4.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
145 1 38 GLN HA 1 45 PHE H . . 4.070 3.355 3.185 3.811 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
146 1 38 GLN QB 1 44 PRO QG . . 4.420 4.073 3.467 4.423 0.003 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
147 1 39 PRO QB 1 42 GLU H . . 3.480 2.043 1.964 2.353 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
148 1 39 PRO HB2 1 42 GLU H . . 4.110 2.052 1.971 2.367 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
149 1 39 PRO HB3 1 42 GLU H . . 4.110 3.805 3.729 4.116 0.006 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
150 1 39 PRO QD 1 44 PRO HA . . 3.610 2.179 1.962 2.456 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
151 1 39 PRO QD 1 44 PRO QB . . 4.520 3.692 3.470 3.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
152 1 39 PRO QD 1 45 PHE H . . 4.260 3.299 2.876 3.838 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
153 1 39 PRO HD2 1 44 PRO HA . . 4.160 2.202 1.978 2.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
154 1 39 PRO HD3 1 44 PRO HA . . 4.160 3.492 3.275 3.765 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
155 1 39 PRO QG 1 42 GLU H . . 4.330 2.813 2.590 3.063 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
156 1 40 ARG HA 1 40 ARG HG2 . . 4.230 3.026 2.185 4.057 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
157 1 40 ARG HA 1 40 ARG QG . . 3.630 2.500 2.022 3.356 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
158 1 40 ARG HA 1 40 ARG HG3 . . 4.230 2.825 2.039 4.072 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
159 1 40 ARG HA 1 42 GLU H . . 4.320 4.185 3.781 4.234 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
160 1 40 ARG QB 1 40 ARG QD . . 3.280 2.078 1.951 2.326 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
161 1 40 ARG QB 1 41 ASP H . . 4.300 2.948 2.437 3.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
162 1 40 ARG HB2 1 41 ASP H . . 4.960 3.487 2.480 4.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
163 1 40 ARG HB3 1 41 ASP H . . 4.960 3.335 2.471 4.153 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
164 1 41 ASP H 1 41 ASP QB . . 3.630 2.251 2.068 2.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
165 1 41 ASP H 1 42 GLU H . . 4.010 2.306 2.200 2.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
166 1 41 ASP HB2 1 42 GLU H . . 5.420 3.482 3.028 4.187 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
167 1 41 ASP HB3 1 42 GLU H . . 5.420 3.531 3.038 4.172 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
168 1 42 GLU H 1 42 GLU HB2 . . 4.050 2.472 2.359 2.785 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
169 1 42 GLU H 1 42 GLU QB . . 3.470 2.413 2.315 2.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
170 1 42 GLU H 1 42 GLU HB3 . . 4.050 3.392 3.159 3.700 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
171 1 42 GLU H 1 42 GLU HG2 . . 5.500 4.531 3.378 5.094 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
172 1 42 GLU H 1 42 GLU QG . . 4.780 3.793 3.169 4.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
173 1 42 GLU H 1 42 GLU HG3 . . 5.500 4.127 3.256 4.629 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
174 1 42 GLU HA 1 43 LYS H . . 3.390 2.610 2.572 2.619 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
175 1 42 GLU QB 1 43 LYS H . . 3.320 2.217 1.967 2.448 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
176 1 42 GLU HB2 1 43 LYS H . . 3.890 3.663 3.394 3.761 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
177 1 42 GLU HB3 1 43 LYS H . . 3.890 2.236 1.979 2.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
178 1 42 GLU QG 1 43 LYS H . . 3.920 2.836 2.080 3.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
179 1 42 GLU HG2 1 43 LYS H . . 4.690 3.042 2.093 4.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
180 1 42 GLU HG3 1 43 LYS H . . 4.690 3.722 2.144 4.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
181 1 43 LYS H 1 43 LYS QB . . 3.270 2.345 2.116 2.909 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
182 1 43 LYS H 1 43 LYS QG . . 3.600 2.930 1.911 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
183 1 43 LYS HA 1 43 LYS QD . . 4.260 3.896 3.254 4.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
184 1 43 LYS HA 1 44 PRO HD2 . . 3.750 2.476 2.392 2.502 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
185 1 43 LYS HA 1 44 PRO HD3 . . 3.510 2.338 2.300 2.351 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
186 1 43 LYS HA 1 44 PRO QG . . 4.490 4.051 3.996 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
187 1 43 LYS QB 1 44 PRO HD2 . . 4.110 2.048 1.936 2.214 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
188 1 43 LYS QB 1 44 PRO HD3 . . 4.410 3.383 3.258 3.517 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
189 1 44 PRO HA 1 45 PHE H . . 3.300 2.182 2.150 2.250 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
190 1 44 PRO QB 1 45 PHE H . . 3.550 3.178 2.924 3.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
191 1 44 PRO HB2 1 45 PHE H . . 4.040 3.375 3.067 3.623 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
192 1 44 PRO HB3 1 45 PHE H . . 4.040 3.879 3.688 4.043 0.003 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
193 1 45 PHE H 1 45 PHE QD . . 3.840 2.761 2.124 3.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
194 1 45 PHE H 1 46 CYS H . . 5.100 4.364 4.262 4.420 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
195 1 45 PHE HA 1 46 CYS H . . 3.410 2.475 2.221 2.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
196 1 45 PHE QB 1 46 CYS H . . 3.810 2.309 2.014 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
197 1 45 PHE QD 1 46 CYS H . . 4.120 3.257 2.592 4.026 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
198 1 45 PHE QD 1 47 ALA MB . . 4.180 3.697 2.802 4.182 0.002 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
199 1 46 CYS H 1 46 CYS HB2 . . 3.890 2.318 2.066 2.838 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
200 1 46 CYS H 1 46 CYS HB3 . . 3.890 3.076 2.468 3.602 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
201 1 46 CYS HA 1 47 ALA H . . 3.440 2.154 2.138 2.240 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
202 1 47 ALA H 1 47 ALA MB . . 3.660 2.374 2.218 2.614 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
203 1 47 ALA HA 1 48 THR H . . 3.370 2.283 2.141 2.530 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
204 1 47 ALA MB 1 48 THR H . . 3.650 2.754 2.132 3.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
205 1 48 THR H 1 48 THR HB . . 4.020 3.175 2.520 3.688 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
206 1 48 THR H 1 48 THR MG . . 4.200 2.946 1.915 3.827 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
207 1 48 THR HA 1 48 THR MG . . 3.350 2.340 1.968 3.207 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
208 1 48 THR HA 1 49 CYS H . . 3.180 2.401 2.204 2.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
209 1 48 THR HB 1 49 CYS H . . 3.660 2.961 2.195 3.702 0.042 63 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
210 1 48 THR MG 1 49 CYS H . . 3.680 2.897 1.908 3.688 0.008 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
211 1 49 CYS H 1 49 CYS HB2 . . 3.990 2.680 2.050 3.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
212 1 49 CYS H 1 49 CYS QB . . 3.500 2.259 2.030 2.662 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
213 1 49 CYS H 1 49 CYS HB3 . . 3.990 2.799 2.374 3.378 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
214 1 49 CYS HB2 1 50 ARG H . . 4.150 3.513 2.152 4.171 0.021 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
215 1 49 CYS HB3 1 50 ARG H . . 4.150 3.450 2.366 4.152 0.002 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
216 1 50 ARG H 1 50 ARG HB2 . . 3.750 2.495 2.142 2.719 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
217 1 50 ARG H 1 50 ARG QG . . 4.160 2.760 1.936 3.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
218 1 50 ARG H 1 62 CYS HA . . 4.100 3.690 2.662 4.104 0.004 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
219 1 50 ARG H 1 63 CYS H . . 4.300 3.530 2.948 4.305 0.005 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
220 1 50 ARG HA 1 50 ARG QD . . 3.940 2.908 1.960 3.943 0.003 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
221 1 50 ARG HA 1 50 ARG QG . . 3.680 2.583 2.005 3.112 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
222 1 50 ARG HA 1 51 GLY H . . 3.570 2.310 2.144 2.718 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
223 1 50 ARG HB2 1 62 CYS HA . . 4.420 3.397 2.359 4.414 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
224 1 50 ARG HB3 1 54 ARG H . . 5.360 4.522 4.115 5.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
225 1 50 ARG HB3 1 54 ARG HB2 . . 4.210 2.453 2.008 3.220 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
226 1 50 ARG HB3 1 54 ARG QB . . 3.380 2.070 1.900 2.818 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
227 1 50 ARG HB3 1 54 ARG HB3 . . 4.210 2.292 1.996 3.263 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
228 1 50 ARG QD 1 54 ARG QB . . 4.620 2.608 1.916 4.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
229 1 50 ARG QD 1 54 ARG QG . . 4.170 2.929 1.844 4.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
230 1 50 ARG QG 1 54 ARG QB . . 4.510 3.372 1.942 4.153 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
231 1 51 GLY H 1 52 LEU H . . 4.600 4.493 4.297 4.609 0.009 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
232 1 51 GLY H 1 54 ARG H . . 4.160 3.935 3.217 4.171 0.011 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
233 1 51 GLY H 1 54 ARG QG . . 4.220 2.174 1.884 3.300 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
234 1 51 GLY HA2 1 52 LEU H . . 3.320 2.617 2.344 2.823 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
235 1 51 GLY HA3 1 52 LEU H . . 3.280 2.515 2.332 2.811 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
236 1 51 GLY HA3 1 54 ARG H . . 4.020 3.711 3.286 4.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
237 1 52 LEU H 1 52 LEU HB2 . . 3.670 2.302 2.120 2.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
238 1 52 LEU H 1 52 LEU QB . . 3.140 2.273 2.101 2.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
239 1 52 LEU H 1 52 LEU HB3 . . 3.670 3.540 3.446 3.613 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
240 1 52 LEU H 1 52 LEU MD1 . . 3.980 3.799 3.679 3.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
241 1 52 LEU H 1 52 LEU MD2 . . 3.900 3.581 2.883 3.908 0.008 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
242 1 52 LEU H 1 52 LEU HG . . 3.410 2.699 2.140 3.082 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
243 1 52 LEU HA 1 52 LEU MD1 . . 3.830 3.816 3.793 3.832 0.002 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
244 1 52 LEU HA 1 52 LEU MD2 . . 3.340 2.028 1.951 2.163 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
245 1 52 LEU HA 1 52 LEU HG . . 4.010 2.998 2.755 3.313 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
246 1 52 LEU HA 1 73 CYS HB2 . . 4.390 3.056 2.003 3.880 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
247 1 52 LEU HA 1 73 CYS QB . . 3.830 2.042 1.901 2.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
248 1 52 LEU HA 1 73 CYS HB3 . . 4.390 2.159 1.990 3.064 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
249 1 52 LEU QB 1 52 LEU MD1 . . 3.100 2.071 2.048 2.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
250 1 52 LEU QB 1 52 LEU MD2 . . 3.260 2.286 2.221 2.359 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
251 1 52 LEU QB 1 53 ARG H . . 4.150 2.699 2.078 3.192 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
252 1 52 LEU QB 1 53 ARG QG . . 3.860 3.313 2.972 3.806 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
253 1 52 LEU HB2 1 52 LEU MD1 . . 3.570 2.319 2.223 2.454 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
254 1 52 LEU HB3 1 52 LEU MD1 . . 3.570 2.343 2.208 2.438 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
255 1 52 LEU MD1 1 74 THR HA . . 4.120 4.023 3.411 4.127 0.007 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
256 1 52 LEU MD1 1 75 THR H . . 4.180 3.297 2.809 4.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
257 1 52 LEU MD1 1 75 THR HA . . 4.380 4.309 3.914 4.382 0.002 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
258 1 52 LEU MD1 1 75 THR MG . . 3.380 2.403 1.894 3.247 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
259 1 52 LEU MD2 1 53 ARG H . . 4.790 4.627 4.426 4.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
260 1 52 LEU MD2 1 66 THR HB . . 4.130 3.395 2.772 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
261 1 52 LEU MD2 1 74 THR H . . 4.820 3.756 3.100 4.516 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
262 1 52 LEU MD2 1 74 THR HA . . 3.590 2.371 1.947 3.591 0.001 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
263 1 52 LEU MD2 1 75 THR H . . 4.070 2.435 1.864 4.003 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
264 1 52 LEU MD2 1 75 THR HA . . 4.920 3.054 2.684 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
265 1 52 LEU MD2 1 75 THR HB . . 4.640 4.191 2.398 4.625 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
266 1 52 LEU MD2 1 75 THR MG . . 3.310 2.290 1.918 3.146 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
267 1 52 LEU HG 1 75 THR MG . . 5.240 3.944 3.328 5.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
268 1 53 ARG H 1 53 ARG HG2 . . 4.360 3.198 2.090 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
269 1 53 ARG H 1 53 ARG QG . . 3.580 2.713 2.074 3.259 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
270 1 53 ARG H 1 53 ARG HG3 . . 4.360 3.121 2.339 3.886 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
271 1 53 ARG H 1 54 ARG H . . 3.740 2.545 2.131 2.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
272 1 53 ARG H 1 73 CYS QB . . 4.500 4.462 4.158 4.537 0.037 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
273 1 53 ARG HA 1 53 ARG HD2 . . 4.610 3.879 2.102 4.622 0.012 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
274 1 53 ARG HA 1 53 ARG QD . . 3.750 3.272 1.993 3.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
275 1 53 ARG HA 1 53 ARG HD3 . . 4.610 3.720 2.004 4.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
276 1 53 ARG HA 1 53 ARG HG2 . . 3.800 2.559 2.109 3.640 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
277 1 53 ARG HA 1 53 ARG QG . . 3.240 2.373 2.082 2.869 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
278 1 53 ARG HA 1 53 ARG HG3 . . 3.800 3.375 2.183 3.784 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
279 1 53 ARG HA 1 72 VAL QG . . 3.830 2.956 2.228 3.602 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
280 1 53 ARG HG2 1 54 ARG H . . 5.500 4.888 4.394 5.518 0.018 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
281 1 53 ARG HG3 1 54 ARG H . . 5.500 5.073 4.430 5.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
282 1 54 ARG H 1 54 ARG HB2 . . 3.890 2.238 2.048 2.505 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
283 1 54 ARG H 1 54 ARG QB . . 3.350 2.213 2.027 2.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
284 1 54 ARG H 1 54 ARG HB3 . . 3.890 3.491 3.262 3.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
285 1 54 ARG H 1 54 ARG QD . . 4.620 3.693 2.363 4.611 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
286 1 54 ARG H 1 54 ARG HG2 . . 4.370 3.460 2.398 4.311 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
287 1 54 ARG H 1 54 ARG QG . . 3.840 3.257 2.369 3.848 0.008 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
288 1 54 ARG H 1 54 ARG HG3 . . 4.370 4.146 3.610 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
289 1 54 ARG H 1 72 VAL QG . . 5.160 3.641 3.025 4.733 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
290 1 54 ARG HA 1 54 ARG HD2 . . 3.710 2.756 2.007 3.715 0.005 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
291 1 54 ARG HA 1 54 ARG QD . . 3.220 2.168 1.988 2.635 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
292 1 54 ARG HA 1 54 ARG HD3 . . 3.710 2.563 2.004 3.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
293 1 54 ARG HA 1 54 ARG HG2 . . 4.210 3.005 2.333 3.602 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
294 1 54 ARG HA 1 54 ARG HG3 . . 4.210 3.279 2.432 3.739 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
295 1 54 ARG HA 1 55 ARG H . . 3.230 2.225 2.143 2.334 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
296 1 54 ARG HA 1 55 ARG QG . . 4.490 3.794 3.471 4.331 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
297 1 54 ARG QB 1 55 ARG H . . 3.840 3.006 2.589 3.478 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
298 1 54 ARG QD 1 55 ARG H . . 3.960 3.245 1.937 3.965 0.005 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
299 1 54 ARG QG 1 55 ARG H . . 4.790 3.882 2.819 4.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
300 1 55 ARG H 1 55 ARG QB . . 3.180 2.461 2.250 2.698 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
301 1 55 ARG H 1 55 ARG HD2 . . 5.500 4.520 2.779 5.103 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
302 1 55 ARG H 1 55 ARG HD3 . . 5.500 4.361 1.981 5.349 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
303 1 55 ARG H 1 55 ARG HG2 . . 3.770 2.580 1.957 3.364 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
304 1 55 ARG H 1 55 ARG QG . . 3.280 2.404 1.947 2.892 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
305 1 55 ARG H 1 55 ARG HG3 . . 3.770 3.134 2.440 3.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
306 1 55 ARG HA 1 55 ARG HD2 . . 5.420 3.484 2.118 4.776 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
307 1 55 ARG HA 1 55 ARG QD . . 4.640 3.095 2.105 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
308 1 55 ARG HA 1 55 ARG HD3 . . 5.420 3.761 2.323 4.714 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
309 1 55 ARG HA 1 56 CYS H . . 3.100 2.298 2.150 2.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
310 1 55 ARG HA 1 72 VAL HA . . 3.540 1.998 1.971 2.016 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
311 1 55 ARG HA 1 72 VAL MG1 . . 4.280 3.181 1.956 4.310 0.030 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
312 1 55 ARG HA 1 72 VAL QG . . 3.450 2.334 1.953 2.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
313 1 55 ARG HA 1 72 VAL MG2 . . 4.280 2.567 2.051 4.285 0.005 61 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
314 1 55 ARG HA 1 73 CYS H . . 4.020 3.346 3.008 3.641 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
315 1 55 ARG QB 1 55 ARG QD . . 3.180 2.111 1.943 2.551 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
316 1 55 ARG QB 1 56 CYS H . . 3.430 2.662 2.433 3.194 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
317 1 55 ARG QB 1 72 VAL HA . . 4.460 3.846 3.531 4.034 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
318 1 55 ARG QB 1 72 VAL QG . . 4.760 3.418 2.507 4.345 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
319 1 55 ARG QD 1 72 VAL QG . . 3.910 2.729 1.903 3.922 0.012 66 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
320 1 55 ARG HD2 1 72 VAL MG1 . . 5.500 4.873 2.431 5.507 0.007 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
321 1 55 ARG HD2 1 72 VAL MG2 . . 5.500 3.528 2.065 5.288 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
322 1 55 ARG HD3 1 72 VAL MG1 . . 5.500 4.631 1.923 5.501 0.001 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
323 1 55 ARG HD3 1 72 VAL MG2 . . 5.500 3.372 1.963 5.450 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
324 1 55 ARG QG 1 56 CYS H . . 5.340 4.195 3.784 4.727 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
325 1 55 ARG QG 1 72 VAL HA . . 5.040 4.160 3.391 5.062 0.022 66 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
326 1 55 ARG QG 1 72 VAL QG . . 5.060 2.941 2.085 4.302 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
327 1 56 CYS H 1 71 ASP HA . . 4.610 3.501 3.199 3.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
328 1 56 CYS H 1 71 ASP QB . . 4.820 3.829 3.329 4.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
329 1 56 CYS H 1 72 VAL HA . . 3.690 2.511 1.948 2.822 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
330 1 56 CYS H 1 72 VAL HB . . 5.500 5.054 3.870 5.504 0.004 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
331 1 56 CYS H 1 72 VAL MG1 . . 5.500 4.469 3.373 4.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
332 1 56 CYS H 1 72 VAL QG . . 4.760 3.544 3.123 4.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
333 1 56 CYS H 1 72 VAL MG2 . . 5.500 3.778 3.283 4.854 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
334 1 56 CYS H 1 73 CYS H . . 4.290 4.020 3.540 4.292 0.002 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
335 1 56 CYS HA 1 57 GLN H . . 3.500 2.367 2.202 2.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
336 1 56 CYS HA 1 61 MET ME . . 3.570 3.129 2.067 3.573 0.003 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
337 1 56 CYS QB 1 57 GLN H . . 3.610 2.505 2.151 2.944 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
338 1 56 CYS QB 1 58 ARG H . . 3.750 3.045 2.748 3.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
339 1 56 CYS QB 1 61 MET ME . . 3.860 3.455 1.903 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
340 1 56 CYS HB2 1 57 GLN H . . 4.200 2.540 2.168 3.014 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
341 1 56 CYS HB2 1 61 MET ME . . 4.590 3.728 2.012 4.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
342 1 56 CYS HB3 1 57 GLN H . . 4.200 3.834 3.574 4.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
343 1 56 CYS HB3 1 61 MET ME . . 4.590 4.126 1.975 4.593 0.003 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
344 1 57 GLN H 1 57 GLN HB2 . . 3.970 2.532 2.235 3.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
345 1 57 GLN H 1 57 GLN QB . . 3.450 2.417 2.206 2.883 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
346 1 57 GLN H 1 57 GLN HB3 . . 3.970 3.337 2.577 3.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
347 1 57 GLN H 1 58 ARG H . . 3.490 1.946 1.895 2.405 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
348 1 57 GLN H 1 61 MET ME . . 4.000 3.143 2.259 4.000 0.000 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
349 1 57 GLN HA 1 57 GLN HG2 . . 3.860 2.807 2.071 3.809 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
350 1 57 GLN HA 1 57 GLN QG . . 3.390 2.250 2.002 3.337 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
351 1 57 GLN HA 1 57 GLN HG3 . . 3.860 2.706 2.022 3.688 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
352 1 57 GLN QB 1 58 ARG H . . 3.860 2.860 2.447 3.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
353 1 57 GLN HB2 1 58 ARG H . . 4.470 3.283 2.531 4.084 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
354 1 57 GLN HB3 1 58 ARG H . . 4.470 3.350 2.606 3.988 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
355 1 57 GLN QG 1 58 ARG H . . 4.920 4.349 2.267 4.679 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
356 1 58 ARG H 1 61 MET QB . . 4.300 2.772 1.950 4.304 0.004 69 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
357 1 58 ARG H 1 61 MET HG2 . . 4.730 3.840 1.930 4.741 0.011 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
358 1 58 ARG H 1 61 MET QG . . 3.940 2.881 1.907 3.932 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
359 1 58 ARG H 1 61 MET HG3 . . 4.730 3.164 2.294 4.202 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
360 1 58 ARG HA 1 58 ARG HD2 . . 5.500 4.522 3.827 5.465 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
361 1 58 ARG HA 1 58 ARG HD3 . . 5.500 4.475 3.496 4.802 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
362 1 58 ARG QB 1 58 ARG QD . . 3.340 2.061 1.944 2.156 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
363 1 58 ARG QB 1 60 ALA MB . . 4.260 3.280 2.660 3.866 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
364 1 58 ARG QB 1 61 MET QB . . 4.310 2.772 1.949 4.316 0.006 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
365 1 58 ARG QD 1 60 ALA MB . . 4.590 3.314 1.899 4.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
366 1 58 ARG QD 1 61 MET QB . . 4.210 3.943 2.425 4.207 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
367 1 58 ARG QD 1 61 MET QG . . 4.170 3.091 2.134 4.165 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
368 1 58 ARG HD2 1 60 ALA MB . . 5.260 3.998 2.017 5.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
369 1 58 ARG HD3 1 60 ALA MB . . 5.260 3.727 2.023 5.240 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
370 1 59 ASP HA 1 68 CYS H . . 3.900 3.015 2.331 3.904 0.004 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
371 1 59 ASP HA 1 68 CYS HB2 . . 4.350 2.418 1.981 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
372 1 59 ASP HA 1 68 CYS QB . . 3.790 2.369 1.951 2.976 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
373 1 59 ASP HA 1 68 CYS HB3 . . 4.350 3.477 2.438 4.363 0.013 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
374 1 59 ASP QB 1 60 ALA H . . 3.660 2.843 2.211 3.516 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
375 1 59 ASP QB 1 60 ALA MB . . 4.210 3.937 3.448 4.368 0.158 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
376 1 59 ASP QB 1 67 LEU QD . . 4.000 3.173 1.934 3.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
377 1 59 ASP QB 1 68 CYS QB . . 3.700 3.472 2.691 3.701 0.001 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
378 1 59 ASP HB2 1 60 ALA H . . 4.350 3.362 2.230 4.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
379 1 59 ASP HB3 1 60 ALA H . . 4.350 3.542 2.354 4.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
380 1 60 ALA H 1 60 ALA MB . . 3.300 2.168 2.032 2.278 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
381 1 60 ALA H 1 61 MET QG . . 4.890 4.614 3.838 4.892 0.002 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
382 1 60 ALA HA 1 62 CYS H . . 4.100 3.862 3.600 4.102 0.002 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
383 1 60 ALA MB 1 61 MET H . . 3.940 2.789 2.457 2.967 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
384 1 60 ALA MB 1 61 MET QG . . 4.310 4.064 3.476 4.361 0.051 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
385 1 60 ALA MB 1 62 CYS H . . 4.750 4.396 4.192 4.622 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
386 1 61 MET H 1 61 MET QB . . 3.560 2.213 2.069 2.640 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
387 1 61 MET H 1 61 MET HG2 . . 4.190 3.273 2.194 4.197 0.007 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
388 1 61 MET H 1 61 MET QG . . 3.660 2.777 2.148 3.116 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
389 1 61 MET H 1 61 MET HG3 . . 4.190 3.236 2.507 4.086 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
390 1 61 MET H 1 62 CYS H . . 3.680 2.659 2.257 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
391 1 61 MET HA 1 61 MET ME . . 4.300 3.802 2.927 4.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
392 1 61 MET QB 1 61 MET ME . . 3.730 2.141 1.937 2.942 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
393 1 61 MET HB2 1 61 MET ME . . 4.240 3.049 1.956 3.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
394 1 61 MET HB3 1 61 MET ME . . 4.240 2.406 1.954 3.988 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
395 1 61 MET ME 1 61 MET QG . . 3.530 2.332 2.054 2.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
396 1 62 CYS H 1 62 CYS HB2 . . 3.820 2.295 2.053 2.683 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
397 1 62 CYS H 1 62 CYS QB . . 3.270 2.207 2.032 2.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
398 1 62 CYS H 1 62 CYS HB3 . . 3.820 3.089 2.585 3.676 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
399 1 62 CYS HA 1 63 CYS H . . 3.520 2.349 2.172 2.660 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
400 1 62 CYS QB 1 63 CYS H . . 3.740 2.981 2.162 3.639 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
401 1 62 CYS HB2 1 63 CYS H . . 4.400 4.058 3.661 4.365 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
402 1 62 CYS HB3 1 63 CYS H . . 4.400 3.099 2.177 3.977 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
403 1 63 CYS H 1 63 CYS HB2 . . 3.950 2.274 2.094 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
404 1 63 CYS H 1 63 CYS QB . . 3.360 2.183 2.075 2.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
405 1 63 CYS H 1 63 CYS HB3 . . 3.950 3.416 2.650 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
406 1 63 CYS QB 1 64 PRO QD . . 3.790 2.084 1.907 2.283 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
407 1 65 GLY QA 1 66 THR MG . . 4.190 3.753 3.306 4.191 0.001 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
408 1 66 THR H 1 66 THR MG . . 3.700 3.251 2.751 3.700 0.000 68 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
409 1 66 THR H 1 67 LEU H . . 4.480 4.462 4.387 4.494 0.014 66 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
410 1 66 THR HA 1 66 THR MG . . 3.350 2.156 1.964 2.402 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
411 1 66 THR HA 1 67 LEU H . . 3.320 2.495 2.366 2.515 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
412 1 66 THR HA 1 75 THR HA . . 3.780 2.746 2.001 3.330 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
413 1 66 THR HA 1 76 MET H . . 4.160 2.831 2.096 3.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
414 1 66 THR HB 1 67 LEU H . . 3.480 2.226 2.142 2.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
415 1 66 THR HB 1 73 CYS QB . . 4.340 4.029 3.292 4.353 0.013 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
416 1 66 THR HB 1 74 THR H . . 4.320 3.464 2.765 4.130 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
417 1 66 THR HB 1 75 THR HA . . 4.200 3.468 2.490 4.202 0.002 65 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
418 1 66 THR MG 1 67 LEU H . . 3.720 3.275 2.782 3.688 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
419 1 66 THR MG 1 74 THR H . . 5.180 4.195 3.328 4.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
420 1 66 THR MG 1 74 THR HA . . 4.540 4.115 3.563 4.548 0.008 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
421 1 66 THR MG 1 75 THR H . . 4.680 3.488 2.908 4.095 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
422 1 66 THR MG 1 75 THR HA . . 3.500 2.028 1.888 2.368 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
423 1 66 THR MG 1 75 THR HB . . 4.210 4.013 2.509 4.211 0.001 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
424 1 66 THR MG 1 75 THR MG . . 3.580 2.287 1.803 3.581 0.001 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
425 1 66 THR MG 1 76 MET H . . 4.070 3.301 2.773 3.910 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
426 1 67 LEU H 1 67 LEU HB2 . . 4.110 2.644 2.432 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
427 1 67 LEU H 1 67 LEU QB . . 3.430 2.521 2.392 2.645 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
428 1 67 LEU H 1 67 LEU HB3 . . 4.110 3.334 2.778 3.807 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
429 1 67 LEU H 1 67 LEU MD1 . . 5.290 4.030 2.906 4.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
430 1 67 LEU H 1 67 LEU QD . . 4.350 3.629 2.742 3.996 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
431 1 67 LEU H 1 67 LEU MD2 . . 5.290 4.358 2.780 4.737 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
432 1 67 LEU H 1 73 CYS HA . . 4.660 4.637 4.490 4.671 0.011 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
433 1 67 LEU H 1 74 THR H . . 4.000 3.232 2.813 3.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
434 1 67 LEU H 1 75 THR HA . . 4.310 3.480 2.897 4.064 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
435 1 67 LEU HA 1 67 LEU MD1 . . 4.400 2.936 1.989 3.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
436 1 67 LEU HA 1 67 LEU QD . . 3.260 2.438 1.883 2.994 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
437 1 67 LEU HA 1 67 LEU MD2 . . 4.400 3.087 2.018 3.861 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
438 1 67 LEU QB 1 68 CYS H . . 3.590 3.025 2.417 3.596 0.006 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
439 1 67 LEU HB2 1 68 CYS H . . 4.330 4.143 3.777 4.351 0.021 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
440 1 67 LEU HB2 1 69 VAL MG2 . . 4.240 3.665 2.832 4.151 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
441 1 67 LEU HB3 1 68 CYS H . . 4.330 3.131 2.445 3.842 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
442 1 67 LEU HB3 1 69 VAL MG2 . . 4.240 2.669 2.365 3.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
443 1 67 LEU QD 1 68 CYS H . . 3.700 2.865 1.888 3.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
444 1 67 LEU QD 1 68 CYS QB . . 5.280 4.061 3.059 4.838 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
445 1 67 LEU QD 1 76 MET HA . . 4.090 3.328 2.152 4.044 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
446 1 67 LEU QD 1 76 MET QB . . 4.840 3.814 2.483 4.607 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
447 1 67 LEU QD 1 76 MET ME . . 3.910 2.666 1.877 3.511 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
448 1 67 LEU QD 1 76 MET QG . . 4.610 2.421 1.811 3.107 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
449 1 67 LEU QD 1 79 ALA MB . . 4.210 2.964 1.820 4.147 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
450 1 67 LEU MD1 1 76 MET ME . . 4.730 3.009 1.894 4.624 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
451 1 67 LEU MD2 1 76 MET ME . . 4.730 3.749 1.974 4.722 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
452 1 67 LEU HG 1 76 MET QG . . 5.340 4.312 2.611 5.336 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
453 1 68 CYS H 1 68 CYS HB2 . . 3.770 2.409 2.117 2.787 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
454 1 68 CYS H 1 68 CYS HB3 . . 3.770 2.934 2.606 3.516 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
455 1 68 CYS HA 1 69 VAL H . . 3.340 2.172 2.139 2.200 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
456 1 68 CYS HA 1 72 VAL H . . 4.310 4.109 3.814 4.313 0.003 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
457 1 68 CYS HA 1 73 CYS HA . . 3.700 2.703 2.400 3.128 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
458 1 68 CYS HA 1 74 THR H . . 4.640 3.233 2.789 3.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
459 1 69 VAL H 1 69 VAL HB . . 3.720 2.695 2.561 2.874 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
460 1 69 VAL H 1 69 VAL MG1 . . 4.110 3.874 3.818 3.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
461 1 69 VAL H 1 69 VAL MG2 . . 3.780 2.748 2.478 3.042 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
462 1 69 VAL H 1 72 VAL H . . 3.990 3.130 2.860 3.284 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
463 1 69 VAL H 1 73 CYS HA . . 4.280 3.523 3.349 3.728 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
464 1 69 VAL H 1 74 THR MG . . 4.900 4.214 2.444 4.886 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
465 1 69 VAL HA 1 69 VAL MG1 . . 3.060 2.328 2.212 2.404 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
466 1 69 VAL HA 1 69 VAL MG2 . . 3.290 2.374 2.281 2.464 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
467 1 69 VAL HA 1 70 ASN H . . 3.440 2.186 2.144 2.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
468 1 69 VAL HB 1 74 THR HB . . 4.060 2.555 2.046 3.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
469 1 69 VAL HB 1 74 THR MG . . 3.710 2.943 2.265 3.271 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
470 1 69 VAL MG1 1 70 ASN H . . 4.080 2.356 1.973 2.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
471 1 69 VAL MG1 1 74 THR HB . . 4.640 3.954 3.581 4.642 0.002 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
472 1 69 VAL MG1 1 74 THR MG . . 3.490 3.439 3.227 3.498 0.008 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
473 1 69 VAL MG1 1 79 ALA HA . . 4.480 4.074 3.248 4.465 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
474 1 69 VAL MG1 1 79 ALA MB . . 3.860 3.623 3.051 3.860 0.000 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
475 1 69 VAL MG2 1 74 THR H . . 4.370 3.820 3.263 4.372 0.002 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
476 1 69 VAL MG2 1 74 THR HB . . 3.730 2.594 1.961 3.730 0.000 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
477 1 69 VAL MG2 1 74 THR MG . . 3.330 2.732 1.765 3.330 0.000 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
478 1 69 VAL MG2 1 79 ALA MB . . 3.700 2.267 1.825 2.744 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
479 1 70 ASN H 1 71 ASP H . . 4.100 2.739 2.680 2.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
480 1 70 ASN QB 1 71 ASP H . . 4.020 3.837 3.793 3.896 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
481 1 70 ASN HB2 1 71 ASP H . . 4.690 4.424 4.122 4.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
482 1 70 ASN HB3 1 71 ASP H . . 4.690 4.231 4.102 4.503 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
483 1 71 ASP H 1 71 ASP HA . . 2.920 2.275 2.274 2.276 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
484 1 71 ASP H 1 72 VAL H . . 3.800 2.615 2.593 2.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
485 1 71 ASP H 1 72 VAL QG . . 4.470 4.196 3.717 4.374 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
486 1 71 ASP QB 1 72 VAL H . . 4.310 3.752 3.706 3.826 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
487 1 72 VAL H 1 72 VAL HB . . 4.090 3.020 2.790 3.876 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
488 1 72 VAL H 1 72 VAL QG . . 3.260 2.769 2.273 2.966 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
489 1 72 VAL H 1 73 CYS H . . 4.550 4.338 4.294 4.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
490 1 72 VAL HA 1 73 CYS H . . 3.190 2.230 2.185 2.321 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
491 1 72 VAL HB 1 73 CYS H . . 4.000 3.889 2.587 4.003 0.003 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
492 1 72 VAL QG 1 73 CYS H . . 3.640 2.289 2.045 3.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
493 1 73 CYS H 1 73 CYS HB2 . . 3.920 2.173 2.052 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
494 1 73 CYS H 1 73 CYS QB . . 3.380 2.143 2.030 2.489 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
495 1 73 CYS H 1 73 CYS HB3 . . 3.920 3.282 2.900 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
496 1 73 CYS H 1 74 THR H . . 4.800 4.447 4.348 4.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
497 1 73 CYS HA 1 74 THR H . . 3.310 2.166 2.138 2.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
498 1 73 CYS QB 1 74 THR H . . 3.960 3.563 2.913 3.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
499 1 73 CYS HB2 1 74 THR H . . 4.620 4.479 4.113 4.622 0.002 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
500 1 73 CYS HB3 1 74 THR H . . 4.620 3.749 2.975 4.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
501 1 74 THR H 1 74 THR MG . . 4.120 3.508 2.105 3.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
502 1 74 THR HA 1 74 THR MG . . 3.660 2.569 2.271 3.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
503 1 74 THR HA 1 75 THR H . . 3.530 2.220 2.141 2.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
504 1 74 THR MG 1 75 THR H . . 3.920 2.717 2.030 3.722 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
505 1 74 THR MG 1 78 ASP HB2 . . 4.230 3.058 1.910 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
506 1 74 THR MG 1 78 ASP QB . . 3.670 2.497 1.834 3.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
507 1 74 THR MG 1 78 ASP HB3 . . 4.230 2.766 1.955 4.191 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
508 1 74 THR MG 1 79 ALA H . . 4.360 3.032 2.471 3.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
509 1 74 THR MG 1 79 ALA HA . . 3.870 3.374 2.439 3.865 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
510 1 75 THR H 1 75 THR MG . . 4.090 3.029 1.973 3.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
511 1 75 THR HA 1 75 THR MG . . 3.650 2.119 1.968 3.184 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
512 1 75 THR HA 1 76 MET H . . 3.340 2.282 2.168 2.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
513 1 75 THR HB 1 77 GLU H . . 3.660 2.604 2.190 3.901 0.241 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
514 1 75 THR MG 1 76 MET H . . 4.020 3.033 2.222 3.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
515 1 76 MET H 1 76 MET HB2 . . 3.950 2.167 2.050 2.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
516 1 76 MET H 1 76 MET QB . . 3.420 2.114 2.030 2.347 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
517 1 76 MET H 1 76 MET HB3 . . 3.950 3.153 2.471 3.574 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
518 1 76 MET H 1 76 MET HG2 . . 5.320 4.170 3.092 4.665 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
519 1 76 MET H 1 76 MET QG . . 4.610 3.457 2.348 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
520 1 76 MET H 1 76 MET HG3 . . 5.320 3.751 2.378 4.439 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
521 1 76 MET H 1 77 GLU H . . 4.400 2.644 2.460 2.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
522 1 76 MET HA 1 76 MET QG . . 3.710 2.179 2.001 2.453 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
523 1 76 MET HA 1 78 ASP H . . 4.250 4.092 3.878 4.250 0.000 61 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
524 1 76 MET HA 1 79 ALA H . . 4.310 3.351 2.988 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
525 1 76 MET HA 1 79 ALA MB . . 3.950 2.613 2.029 3.162 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
526 1 76 MET QB 1 76 MET ME . . 4.210 3.307 2.308 3.689 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
527 1 76 MET QB 1 77 GLU H . . 4.000 2.783 2.330 3.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
528 1 76 MET QB 1 79 ALA MB . . 5.340 4.387 3.890 4.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
529 1 76 MET ME 1 79 ALA MB . . 5.500 4.719 2.761 5.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
530 1 76 MET HG2 1 79 ALA MB . . 5.500 4.010 3.060 5.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
531 1 76 MET HG3 1 79 ALA MB . . 5.500 4.555 3.350 5.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
532 1 77 GLU H 1 77 GLU QB . . 3.420 2.336 2.113 2.594 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
533 1 77 GLU H 1 78 ASP H . . 4.390 2.590 2.267 2.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
534 1 77 GLU HA 1 77 GLU QG . . 3.660 2.390 2.079 2.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
535 1 77 GLU QB 1 78 ASP H . . 3.520 2.785 2.564 2.936 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
536 1 77 GLU QB 1 78 ASP HA . . 4.010 3.945 3.857 4.008 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
537 1 77 GLU HB2 1 78 ASP H . . 4.100 2.886 2.619 3.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
538 1 77 GLU HB2 1 78 ASP HA . . 4.830 4.540 4.152 4.827 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
539 1 77 GLU HB3 1 78 ASP H . . 4.100 3.706 3.336 4.006 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
540 1 77 GLU HB3 1 78 ASP HA . . 4.830 4.370 4.056 4.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
541 1 78 ASP H 1 78 ASP QB . . 3.270 2.176 2.055 2.366 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
542 1 78 ASP H 1 79 ALA H . . 4.010 2.439 2.186 2.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
543 1 78 ASP QB 1 79 ALA H . . 3.910 2.666 2.298 2.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
544 1 79 ALA H 1 79 ALA MB . . 3.260 2.137 2.025 2.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
545 1 79 ALA MB 1 80 THR H . . 4.000 2.893 1.981 3.711 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
546 1 80 THR H 1 80 THR MG . . 4.150 3.641 2.001 4.046 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
547 1 80 THR H 1 81 GLU H . . 4.030 3.219 1.919 4.324 0.294 65 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
548 1 80 THR HA 1 80 THR MG . . 3.500 2.265 1.963 3.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
549 1 81 GLU H 1 81 GLU HB2 . . 4.040 2.934 2.072 3.979 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
550 1 81 GLU H 1 81 GLU QB . . 3.500 2.632 2.050 3.292 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
551 1 81 GLU H 1 81 GLU HB3 . . 4.040 3.299 2.448 4.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
552 1 81 GLU HA 1 81 GLU QG . . 3.690 2.510 2.026 3.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
553 1 82 ASN QB 1 83 LEU H . . 4.450 3.094 2.077 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
554 1 82 ASN HB2 1 83 LEU H . . 5.150 3.875 2.090 4.664 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
555 1 82 ASN HB3 1 83 LEU H . . 5.150 3.448 2.222 4.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
556 1 83 LEU H 1 83 LEU HB2 . . 3.930 2.624 2.041 3.724 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
557 1 83 LEU H 1 83 LEU QB . . 3.220 2.521 2.022 3.325 0.105 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
558 1 83 LEU H 1 83 LEU HB3 . . 3.930 3.508 2.839 4.002 0.072 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
559 1 83 LEU HA 1 83 LEU MD1 . . 4.480 3.151 1.978 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
560 1 83 LEU HA 1 83 LEU QD . . 3.290 2.608 1.851 3.308 0.018 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
561 1 83 LEU HA 1 83 LEU MD2 . . 4.480 3.113 1.998 4.088 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
562 1 83 LEU HA 1 84 TYR H . . 3.480 2.491 2.197 3.474 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
563 1 83 LEU HB2 1 84 TYR H . . 4.250 3.817 2.229 4.263 0.013 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
564 1 83 LEU HB3 1 84 TYR H . . 4.250 2.815 1.937 4.261 0.011 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
565 1 84 TYR H 1 84 TYR QB . . 3.630 2.632 2.043 3.363 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
566 1 84 TYR HA 1 84 TYR QD . . 4.080 2.843 2.060 3.739 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
567 1 84 TYR HA 1 85 PHE QB . . 4.200 4.122 3.789 4.205 0.005 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
568 1 84 TYR HA 1 85 PHE QD . . 4.370 3.585 2.881 4.367 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
569 1 84 TYR QB 1 85 PHE H . . 4.230 2.782 1.971 4.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
570 1 84 TYR HB2 1 85 PHE H . . 4.870 3.705 1.981 4.661 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
571 1 84 TYR HB3 1 85 PHE H . . 4.870 3.120 2.007 4.398 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
572 1 85 PHE H 1 85 PHE HB2 . . 4.010 3.095 2.128 4.009 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
573 1 85 PHE H 1 85 PHE QB . . 3.520 2.696 2.109 3.334 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
574 1 85 PHE H 1 85 PHE HB3 . . 4.010 3.396 2.891 4.083 0.073 70 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
575 1 88 LEU HA 1 88 LEU QD . . 3.590 2.706 1.884 3.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
576 1 88 LEU QB 1 89 GLU H . . 4.350 2.940 1.971 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
577 1 88 LEU HB2 1 89 GLU H . . 5.020 3.855 1.981 4.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
578 1 88 LEU HB3 1 89 GLU H . . 5.020 3.228 2.063 4.456 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
579 1 89 GLU H 1 89 GLU QB . . 3.580 2.682 2.038 3.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7]" 1
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