NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403151 |
1wj0   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wj0
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 842
_Distance_constraint_stats_list.Viol_count 463
_Distance_constraint_stats_list.Viol_total 68.918
_Distance_constraint_stats_list.Viol_max 0.068
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0074
_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 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ILE 0.034 0.006 1 0 "[ . 1 . 2]"
1 5 CYS 0.013 0.006 1 0 "[ . 1 . 2]"
1 6 CYS 0.062 0.006 12 0 "[ . 1 . 2]"
1 7 GLN 0.155 0.018 19 0 "[ . 1 . 2]"
1 8 VAL 0.179 0.023 12 0 "[ . 1 . 2]"
1 9 ASP 0.053 0.008 17 0 "[ . 1 . 2]"
1 10 ASN 0.073 0.015 18 0 "[ . 1 . 2]"
1 11 CYS 0.184 0.015 18 0 "[ . 1 . 2]"
1 12 GLY 0.047 0.012 10 0 "[ . 1 . 2]"
1 13 ALA 0.038 0.006 12 0 "[ . 1 . 2]"
1 14 ASP 0.019 0.007 20 0 "[ . 1 . 2]"
1 15 LEU 0.096 0.009 14 0 "[ . 1 . 2]"
1 16 SER 0.006 0.002 7 0 "[ . 1 . 2]"
1 17 LYS 0.062 0.015 17 0 "[ . 1 . 2]"
1 18 VAL 0.081 0.012 9 0 "[ . 1 . 2]"
1 19 LYS 0.717 0.050 10 0 "[ . 1 . 2]"
1 20 ASP 0.713 0.050 10 0 "[ . 1 . 2]"
1 21 TYR 0.058 0.018 17 0 "[ . 1 . 2]"
1 22 HIS 0.081 0.018 17 0 "[ . 1 . 2]"
1 23 ARG 0.056 0.012 9 0 "[ . 1 . 2]"
1 24 ARG 0.020 0.005 15 0 "[ . 1 . 2]"
1 25 HIS 0.018 0.006 10 0 "[ . 1 . 2]"
1 26 LYS 0.017 0.005 6 0 "[ . 1 . 2]"
1 27 VAL 0.062 0.010 19 0 "[ . 1 . 2]"
1 28 CYS 0.068 0.026 12 0 "[ . 1 . 2]"
1 29 GLU 0.337 0.058 10 0 "[ . 1 . 2]"
1 30 ILE 0.583 0.068 14 0 "[ . 1 . 2]"
1 31 HIS 0.256 0.024 7 0 "[ . 1 . 2]"
1 32 SER 0.124 0.051 18 0 "[ . 1 . 2]"
1 33 LYS 0.279 0.051 18 0 "[ . 1 . 2]"
1 34 ALA 0.029 0.007 20 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.005 0.002 5 0 "[ . 1 . 2]"
1 37 ALA 0.026 0.007 20 0 "[ . 1 . 2]"
1 38 LEU 0.100 0.010 1 0 "[ . 1 . 2]"
1 39 VAL 0.058 0.011 12 0 "[ . 1 . 2]"
1 40 GLY 0.009 0.008 17 0 "[ . 1 . 2]"
1 41 GLY 0.028 0.010 1 0 "[ . 1 . 2]"
1 42 ILE 0.117 0.031 6 0 "[ . 1 . 2]"
1 43 MET 0.164 0.031 6 0 "[ . 1 . 2]"
1 44 GLN 0.097 0.010 6 0 "[ . 1 . 2]"
1 45 ARG 0.074 0.010 6 0 "[ . 1 . 2]"
1 46 PHE 0.026 0.004 6 0 "[ . 1 . 2]"
1 47 CYS 0.009 0.005 6 0 "[ . 1 . 2]"
1 48 GLN 0.012 0.004 6 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 0.002 0.002 12 0 "[ . 1 . 2]"
1 52 ARG 0.006 0.004 5 0 "[ . 1 . 2]"
1 53 PHE 0.122 0.018 19 0 "[ . 1 . 2]"
1 54 HIS 0.006 0.004 18 0 "[ . 1 . 2]"
1 55 VAL 0.053 0.014 15 0 "[ . 1 . 2]"
1 56 LEU 0.133 0.034 1 0 "[ . 1 . 2]"
1 57 GLU 0.206 0.048 11 0 "[ . 1 . 2]"
1 58 GLU 0.156 0.048 11 0 "[ . 1 . 2]"
1 59 PHE 0.128 0.034 1 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ALA HA 1 3 ALA MB 2.000 . 2.800 2.112 2.094 2.127 . 0 0 "[ . 1 . 2]" 1
2 1 3 ALA HA 1 4 ILE H 2.000 . 2.800 2.229 2.138 2.608 . 0 0 "[ . 1 . 2]" 1
3 1 3 ALA MB 1 4 ILE H 2.500 . 3.500 2.984 1.977 3.476 . 0 0 "[ . 1 . 2]" 1
4 1 4 ILE H 1 4 ILE HA 2.500 . 3.500 2.940 2.924 2.949 . 0 0 "[ . 1 . 2]" 1
5 1 4 ILE H 1 4 ILE HB 2.500 . 3.500 2.751 2.643 2.923 . 0 0 "[ . 1 . 2]" 1
6 1 4 ILE H 1 4 ILE MD 3.500 . 4.500 3.833 3.306 4.187 . 0 0 "[ . 1 . 2]" 1
7 1 4 ILE H 1 4 ILE QG 3.500 . 4.500 2.545 2.239 2.827 . 0 0 "[ . 1 . 2]" 1
8 1 4 ILE H 1 4 ILE MG 3.500 . 4.500 3.893 3.834 3.969 . 0 0 "[ . 1 . 2]" 1
9 1 4 ILE H 1 15 LEU QB 2.000 . 2.800 2.688 2.350 2.802 0.002 16 0 "[ . 1 . 2]" 1
10 1 4 ILE HA 1 4 ILE HB 2.500 . 3.500 3.016 3.014 3.020 . 0 0 "[ . 1 . 2]" 1
11 1 4 ILE HA 1 4 ILE MD 3.500 . 4.500 3.721 2.174 3.929 . 0 0 "[ . 1 . 2]" 1
12 1 4 ILE HA 1 4 ILE QG 3.500 . 4.500 2.563 2.487 3.019 . 0 0 "[ . 1 . 2]" 1
13 1 4 ILE HA 1 4 ILE MG 2.500 . 3.500 2.263 2.197 2.362 . 0 0 "[ . 1 . 2]" 1
14 1 4 ILE HA 1 5 CYS H 2.000 . 2.800 2.245 2.143 2.336 . 0 0 "[ . 1 . 2]" 1
15 1 4 ILE HB 1 4 ILE MD 2.500 . 3.500 2.417 2.177 3.226 . 0 0 "[ . 1 . 2]" 1
16 1 4 ILE HB 1 4 ILE QG 2.500 . 3.500 2.374 2.187 2.516 . 0 0 "[ . 1 . 2]" 1
17 1 4 ILE HB 1 5 CYS H 3.500 . 4.500 3.882 3.568 4.410 . 0 0 "[ . 1 . 2]" 1
18 1 4 ILE HB 1 23 ARG HA 5.000 2.500 6.000 3.477 2.836 3.939 . 0 0 "[ . 1 . 2]" 1
19 1 4 ILE MD 1 4 ILE MG 2.000 . 2.800 2.051 1.748 2.472 . 0 0 "[ . 1 . 2]" 1
20 1 4 ILE MD 1 5 CYS H 5.000 2.500 6.000 4.878 3.612 5.527 . 0 0 "[ . 1 . 2]" 1
21 1 4 ILE MD 1 15 LEU QD 3.500 . 4.500 3.538 2.945 4.220 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE MD 1 23 ARG HA 3.500 . 4.500 3.579 2.769 4.505 0.005 6 0 "[ . 1 . 2]" 1
23 1 4 ILE MD 1 23 ARG HD2 3.500 . 4.500 2.958 2.237 4.131 . 0 0 "[ . 1 . 2]" 1
24 1 4 ILE MD 1 23 ARG QD 3.500 . 4.500 2.350 1.998 3.015 0.002 2 0 "[ . 1 . 2]" 1
25 1 4 ILE MD 1 23 ARG HD3 3.500 . 4.500 2.683 2.013 4.129 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE MD 1 26 LYS QE 5.000 2.500 6.000 3.821 2.504 4.655 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE QG 1 4 ILE MG 2.000 . 2.800 2.294 2.128 2.378 . 0 0 "[ . 1 . 2]" 1
28 1 4 ILE QG 1 5 CYS H 5.000 2.500 6.000 4.226 4.054 4.478 . 0 0 "[ . 1 . 2]" 1
29 1 4 ILE MG 1 5 CYS H 3.500 . 4.500 2.330 1.994 3.395 0.006 1 0 "[ . 1 . 2]" 1
30 1 4 ILE MG 1 15 LEU QD 2.500 . 3.500 2.489 1.923 3.337 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE MG 1 23 ARG HA 3.500 . 4.500 4.205 3.324 4.501 0.001 4 0 "[ . 1 . 2]" 1
32 1 4 ILE MG 1 23 ARG QD 3.500 . 4.500 4.311 3.883 4.501 0.001 2 0 "[ . 1 . 2]" 1
33 1 4 ILE MG 1 26 LYS HA 3.500 . 4.500 2.693 2.320 3.244 . 0 0 "[ . 1 . 2]" 1
34 1 4 ILE MG 1 26 LYS QB 3.500 . 4.500 3.159 2.567 3.692 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE MG 1 26 LYS QE 3.500 . 4.500 3.283 2.442 4.082 . 0 0 "[ . 1 . 2]" 1
36 1 4 ILE MG 1 26 LYS QG 2.500 . 3.500 1.903 1.689 2.366 . 0 0 "[ . 1 . 2]" 1
37 1 5 CYS H 1 5 CYS QB 2.500 . 3.500 2.498 2.101 3.089 . 0 0 "[ . 1 . 2]" 1
38 1 5 CYS H 1 15 LEU QD 5.000 2.500 6.000 3.918 3.148 4.608 . 0 0 "[ . 1 . 2]" 1
39 1 5 CYS HA 1 5 CYS QB 2.500 . 3.500 2.378 2.179 2.538 . 0 0 "[ . 1 . 2]" 1
40 1 5 CYS HA 1 6 CYS H 2.500 . 3.500 2.315 2.237 2.387 . 0 0 "[ . 1 . 2]" 1
41 1 5 CYS HA 1 14 ASP HA 3.500 . 4.500 2.847 2.417 3.148 . 0 0 "[ . 1 . 2]" 1
42 1 5 CYS HA 1 14 ASP HB3 5.000 2.500 6.000 5.781 5.332 6.001 0.001 15 0 "[ . 1 . 2]" 1
43 1 5 CYS HA 1 15 LEU H 3.500 . 4.500 3.017 2.670 3.594 . 0 0 "[ . 1 . 2]" 1
44 1 5 CYS HA 1 15 LEU QD 3.500 . 4.500 3.379 2.709 3.761 . 0 0 "[ . 1 . 2]" 1
45 1 5 CYS HA 1 15 LEU HG 3.500 . 4.500 2.958 2.618 3.446 . 0 0 "[ . 1 . 2]" 1
46 1 5 CYS QB 1 6 CYS H 2.500 . 3.500 2.773 2.489 3.343 . 0 0 "[ . 1 . 2]" 1
47 1 6 CYS H 1 6 CYS HA 2.500 . 3.500 2.804 2.776 2.840 . 0 0 "[ . 1 . 2]" 1
48 1 6 CYS H 1 6 CYS HB2 2.500 . 3.500 2.398 2.324 2.525 . 0 0 "[ . 1 . 2]" 1
49 1 6 CYS H 1 6 CYS HB3 2.000 . 2.800 2.666 2.540 2.747 . 0 0 "[ . 1 . 2]" 1
50 1 6 CYS H 1 13 ALA MB 2.500 . 3.500 3.447 3.143 3.506 0.006 11 0 "[ . 1 . 2]" 1
51 1 6 CYS H 1 15 LEU QD 2.500 . 3.500 3.395 3.182 3.501 0.001 17 0 "[ . 1 . 2]" 1
52 1 6 CYS H 1 15 LEU HG 2.500 . 3.500 3.422 3.190 3.505 0.005 8 0 "[ . 1 . 2]" 1
53 1 6 CYS HA 1 6 CYS HB2 2.500 . 3.500 2.525 2.473 2.562 . 0 0 "[ . 1 . 2]" 1
54 1 6 CYS HA 1 7 GLN H 2.000 . 2.800 2.180 2.145 2.254 . 0 0 "[ . 1 . 2]" 1
55 1 6 CYS HA 1 7 GLN HA 3.500 . 4.500 4.354 4.332 4.365 . 0 0 "[ . 1 . 2]" 1
56 1 6 CYS HA 1 8 VAL H 3.500 . 4.500 3.845 3.686 4.110 . 0 0 "[ . 1 . 2]" 1
57 1 6 CYS HA 1 15 LEU QD 2.000 . 2.800 2.586 2.339 2.804 0.004 16 0 "[ . 1 . 2]" 1
58 1 6 CYS HA 1 27 VAL HA 2.500 . 3.500 2.729 2.405 2.963 . 0 0 "[ . 1 . 2]" 1
59 1 6 CYS HA 1 28 CYS H 5.000 2.500 6.000 3.775 3.345 4.176 . 0 0 "[ . 1 . 2]" 1
60 1 6 CYS HB2 1 7 GLN H 3.500 . 4.500 4.244 4.084 4.365 . 0 0 "[ . 1 . 2]" 1
61 1 6 CYS HB2 1 13 ALA MB 2.500 . 3.500 2.380 2.050 2.642 . 0 0 "[ . 1 . 2]" 1
62 1 6 CYS HB2 1 15 LEU QD 2.500 . 3.500 3.212 2.947 3.391 . 0 0 "[ . 1 . 2]" 1
63 1 6 CYS HB2 1 27 VAL HA 3.500 . 4.500 3.811 3.496 4.132 . 0 0 "[ . 1 . 2]" 1
64 1 6 CYS HB2 1 28 CYS H 3.500 . 4.500 3.255 2.645 3.750 . 0 0 "[ . 1 . 2]" 1
65 1 6 CYS HB3 1 7 GLN H 5.000 2.500 6.000 4.017 3.759 4.197 . 0 0 "[ . 1 . 2]" 1
66 1 6 CYS HB3 1 8 VAL H 5.000 2.500 6.000 3.504 2.861 3.806 . 0 0 "[ . 1 . 2]" 1
67 1 6 CYS HB3 1 11 CYS HB3 2.500 . 3.500 2.750 2.251 3.028 . 0 0 "[ . 1 . 2]" 1
68 1 6 CYS HB3 1 13 ALA H 2.500 . 3.500 3.087 2.318 3.506 0.006 12 0 "[ . 1 . 2]" 1
69 1 6 CYS HB3 1 13 ALA MB 2.500 . 3.500 3.227 2.819 3.502 0.002 4 0 "[ . 1 . 2]" 1
70 1 6 CYS HB3 1 15 LEU QD 3.500 . 4.500 4.390 4.222 4.504 0.004 14 0 "[ . 1 . 2]" 1
71 1 7 GLN H 1 7 GLN HA 2.500 . 3.500 2.834 2.785 2.926 . 0 0 "[ . 1 . 2]" 1
72 1 7 GLN H 1 7 GLN QB 2.000 . 2.800 2.575 2.312 2.702 . 0 0 "[ . 1 . 2]" 1
73 1 7 GLN H 1 7 GLN QE 5.000 2.500 6.000 4.088 3.240 4.515 . 0 0 "[ . 1 . 2]" 1
74 1 7 GLN H 1 7 GLN QG 2.500 . 3.500 2.112 1.989 2.590 . 0 0 "[ . 1 . 2]" 1
75 1 7 GLN H 1 26 LYS QB 2.500 . 3.500 3.154 2.698 3.505 0.005 6 0 "[ . 1 . 2]" 1
76 1 7 GLN H 1 27 VAL HA 3.500 . 4.500 3.069 2.702 3.303 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLN H 1 27 VAL MG2 3.500 . 4.500 4.352 4.055 4.506 0.006 12 0 "[ . 1 . 2]" 1
78 1 7 GLN H 1 39 VAL MG2 5.000 2.500 6.000 5.000 4.416 5.715 . 0 0 "[ . 1 . 2]" 1
79 1 7 GLN H 1 53 PHE QE 3.500 . 4.500 3.866 3.299 4.362 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLN HA 1 7 GLN QB 2.000 . 2.800 2.234 2.178 2.438 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLN HA 1 7 GLN QG 2.500 . 3.500 3.022 2.198 3.340 . 0 0 "[ . 1 . 2]" 1
82 1 7 GLN HA 1 8 VAL H 3.500 . 4.500 3.365 2.791 3.515 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLN QB 1 7 GLN QE 2.500 . 3.500 2.837 2.069 3.295 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLN QB 1 7 GLN QG 2.000 . 2.800 2.066 2.047 2.086 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLN QB 1 8 VAL MG2 5.000 2.500 6.000 3.845 3.190 4.269 . 0 0 "[ . 1 . 2]" 1
86 1 7 GLN QB 1 39 VAL MG1 2.500 . 3.500 2.583 1.831 3.115 . 0 0 "[ . 1 . 2]" 1
87 1 7 GLN QB 1 39 VAL MG2 3.500 . 4.500 3.644 2.433 4.456 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLN QB 1 53 PHE QD 3.500 . 4.500 3.884 2.645 4.504 0.004 19 0 "[ . 1 . 2]" 1
89 1 7 GLN HB2 1 39 VAL MG1 3.500 . 4.500 2.798 2.027 3.184 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLN HB2 1 53 PHE QE 3.500 . 4.500 3.840 2.335 4.518 0.018 19 0 "[ . 1 . 2]" 1
91 1 7 GLN HB3 1 39 VAL MG1 3.500 . 4.500 3.518 1.991 4.505 0.009 12 0 "[ . 1 . 2]" 1
92 1 7 GLN HB3 1 53 PHE QE 3.500 . 4.500 4.408 3.785 4.510 0.010 18 0 "[ . 1 . 2]" 1
93 1 7 GLN QE 1 7 GLN QG 2.500 . 3.500 2.200 2.067 2.565 . 0 0 "[ . 1 . 2]" 1
94 1 7 GLN QE 1 26 LYS QB 2.500 . 3.500 2.533 1.998 3.235 . 0 0 "[ . 1 . 2]" 1
95 1 7 GLN QE 1 27 VAL HB 3.500 . 4.500 3.741 2.145 4.503 0.003 11 0 "[ . 1 . 2]" 1
96 1 7 GLN QE 1 53 PHE QD 3.500 . 4.500 2.593 2.119 3.254 . 0 0 "[ . 1 . 2]" 1
97 1 7 GLN QE 1 53 PHE QE 3.500 . 4.500 3.219 2.182 4.171 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLN QG 1 39 VAL MG1 3.500 . 4.500 2.834 1.998 3.864 0.002 6 0 "[ . 1 . 2]" 1
99 1 7 GLN QG 1 39 VAL MG2 3.500 . 4.500 3.329 2.492 4.511 0.011 12 0 "[ . 1 . 2]" 1
100 1 7 GLN QG 1 53 PHE QD 2.500 . 3.500 3.142 2.637 3.506 0.006 11 0 "[ . 1 . 2]" 1
101 1 7 GLN QG 1 53 PHE QE 2.500 . 3.500 2.415 1.928 3.411 . 0 0 "[ . 1 . 2]" 1
102 1 8 VAL H 1 8 VAL HA 2.500 . 3.500 2.821 2.770 2.948 . 0 0 "[ . 1 . 2]" 1
103 1 8 VAL H 1 8 VAL HB 2.000 . 2.800 2.667 2.629 2.774 . 0 0 "[ . 1 . 2]" 1
104 1 8 VAL H 1 8 VAL MG1 3.500 . 4.500 3.783 3.756 3.910 . 0 0 "[ . 1 . 2]" 1
105 1 8 VAL H 1 8 VAL QG 2.000 . 2.800 2.104 1.922 2.751 . 0 0 "[ . 1 . 2]" 1
106 1 8 VAL H 1 8 VAL MG2 2.500 . 3.500 2.119 1.928 2.815 . 0 0 "[ . 1 . 2]" 1
107 1 8 VAL H 1 11 CYS HB2 5.000 2.500 6.000 5.116 4.650 5.537 . 0 0 "[ . 1 . 2]" 1
108 1 8 VAL H 1 39 VAL MG2 5.000 2.500 6.000 3.607 2.839 4.763 . 0 0 "[ . 1 . 2]" 1
109 1 8 VAL HA 1 8 VAL HB 2.500 . 3.500 3.020 3.016 3.023 . 0 0 "[ . 1 . 2]" 1
110 1 8 VAL HA 1 8 VAL MG1 2.500 . 3.500 2.295 2.203 2.390 . 0 0 "[ . 1 . 2]" 1
111 1 8 VAL HA 1 8 VAL QG 2.000 . 2.800 2.102 2.044 2.170 . 0 0 "[ . 1 . 2]" 1
112 1 8 VAL HA 1 8 VAL MG2 2.500 . 3.500 2.447 2.335 2.492 . 0 0 "[ . 1 . 2]" 1
113 1 8 VAL HA 1 9 ASP H 2.000 . 2.800 2.183 2.139 2.262 . 0 0 "[ . 1 . 2]" 1
114 1 8 VAL HA 1 39 VAL HA 3.500 . 4.500 2.812 2.286 3.198 . 0 0 "[ . 1 . 2]" 1
115 1 8 VAL HA 1 39 VAL MG1 3.500 . 4.500 3.164 2.656 3.687 . 0 0 "[ . 1 . 2]" 1
116 1 8 VAL HA 1 39 VAL MG2 2.000 . 2.800 2.062 1.893 2.753 . 0 0 "[ . 1 . 2]" 1
117 1 8 VAL HB 1 8 VAL QG 2.000 . 2.800 1.871 1.860 1.888 . 0 0 "[ . 1 . 2]" 1
118 1 8 VAL HB 1 8 VAL MG2 2.000 . 2.800 2.095 2.087 2.122 . 0 0 "[ . 1 . 2]" 1
119 1 8 VAL HB 1 11 CYS H 5.000 2.500 6.000 4.760 4.533 5.025 . 0 0 "[ . 1 . 2]" 1
120 1 8 VAL HB 1 11 CYS HB2 2.500 . 3.500 2.796 2.215 3.170 . 0 0 "[ . 1 . 2]" 1
121 1 8 VAL HB 1 11 CYS HB3 2.500 . 3.500 2.584 2.139 2.986 . 0 0 "[ . 1 . 2]" 1
122 1 8 VAL HB 1 31 HIS HE1 3.500 . 4.500 3.009 2.650 3.210 . 0 0 "[ . 1 . 2]" 1
123 1 8 VAL QG 1 9 ASP H 2.000 . 2.800 2.360 2.054 2.764 . 0 0 "[ . 1 . 2]" 1
124 1 8 VAL QG 1 11 CYS H 3.500 . 4.500 4.182 3.845 4.398 . 0 0 "[ . 1 . 2]" 1
125 1 8 VAL QG 1 11 CYS HB2 2.500 . 3.500 2.704 2.122 3.229 . 0 0 "[ . 1 . 2]" 1
126 1 8 VAL QG 1 11 CYS HB3 2.500 . 3.500 3.284 2.972 3.510 0.010 3 0 "[ . 1 . 2]" 1
127 1 8 VAL QG 1 28 CYS H 5.000 2.500 6.000 3.942 3.776 4.142 . 0 0 "[ . 1 . 2]" 1
128 1 8 VAL QG 1 31 HIS HD2 3.500 . 4.500 2.950 2.803 3.124 . 0 0 "[ . 1 . 2]" 1
129 1 8 VAL QG 1 31 HIS HE1 2.500 . 3.500 2.536 2.264 2.763 . 0 0 "[ . 1 . 2]" 1
130 1 8 VAL QG 1 37 ALA HA 2.500 . 3.500 2.998 2.624 3.268 . 0 0 "[ . 1 . 2]" 1
131 1 8 VAL QG 1 37 ALA MB 2.000 . 2.800 2.070 1.792 2.461 . 0 0 "[ . 1 . 2]" 1
132 1 8 VAL QG 1 38 LEU H 2.500 . 3.500 2.276 1.908 2.684 . 0 0 "[ . 1 . 2]" 1
133 1 8 VAL QG 1 39 VAL HA 5.000 2.500 6.000 3.566 2.979 3.807 . 0 0 "[ . 1 . 2]" 1
134 1 8 VAL MG1 1 9 ASP H 2.500 . 3.500 2.379 2.061 2.806 . 0 0 "[ . 1 . 2]" 1
135 1 8 VAL MG1 1 11 CYS H 3.500 . 4.500 4.274 3.893 4.505 0.005 4 0 "[ . 1 . 2]" 1
136 1 8 VAL MG1 1 11 CYS HB2 2.500 . 3.500 2.743 2.135 3.319 . 0 0 "[ . 1 . 2]" 1
137 1 8 VAL MG1 1 11 CYS HB3 3.500 . 4.500 3.464 3.136 3.744 . 0 0 "[ . 1 . 2]" 1
138 1 8 VAL MG1 1 31 HIS HB2 3.500 . 4.500 4.487 4.213 4.523 0.023 12 0 "[ . 1 . 2]" 1
139 1 8 VAL MG1 1 31 HIS HD2 5.000 2.500 6.000 3.215 2.951 3.386 . 0 0 "[ . 1 . 2]" 1
140 1 8 VAL MG1 1 31 HIS HE1 3.500 . 4.500 2.598 2.303 2.838 . 0 0 "[ . 1 . 2]" 1
141 1 8 VAL MG1 1 37 ALA HA 3.500 . 4.500 3.100 2.662 3.396 . 0 0 "[ . 1 . 2]" 1
142 1 8 VAL MG1 1 37 ALA MB 2.000 . 2.800 2.495 1.952 2.802 0.002 17 0 "[ . 1 . 2]" 1
143 1 8 VAL MG1 1 38 LEU H 2.500 . 3.500 2.294 1.939 2.703 . 0 0 "[ . 1 . 2]" 1
144 1 8 VAL MG1 1 39 VAL MG2 2.500 . 3.500 2.628 1.917 3.072 . 0 0 "[ . 1 . 2]" 1
145 1 8 VAL MG2 1 9 ASP H 3.500 . 4.500 4.075 3.960 4.191 . 0 0 "[ . 1 . 2]" 1
146 1 8 VAL MG2 1 11 CYS HB2 3.500 . 4.500 4.178 3.709 4.510 0.010 1 0 "[ . 1 . 2]" 1
147 1 8 VAL MG2 1 27 VAL MG2 2.500 . 3.500 2.816 2.526 3.088 . 0 0 "[ . 1 . 2]" 1
148 1 8 VAL MG2 1 31 HIS HB2 2.500 . 3.500 2.709 2.506 3.106 . 0 0 "[ . 1 . 2]" 1
149 1 8 VAL MG2 1 31 HIS HB3 2.500 . 3.500 2.728 2.412 3.007 . 0 0 "[ . 1 . 2]" 1
150 1 8 VAL MG2 1 31 HIS HD2 3.500 . 4.500 3.458 3.094 3.805 . 0 0 "[ . 1 . 2]" 1
151 1 8 VAL MG2 1 31 HIS HE1 3.500 . 4.500 3.563 3.321 3.865 . 0 0 "[ . 1 . 2]" 1
152 1 8 VAL MG2 1 37 ALA HA 3.500 . 4.500 4.038 3.247 4.498 . 0 0 "[ . 1 . 2]" 1
153 1 8 VAL MG2 1 37 ALA MB 2.000 . 2.800 2.250 1.893 2.760 . 0 0 "[ . 1 . 2]" 1
154 1 8 VAL MG2 1 39 VAL MG2 2.000 . 2.800 2.165 1.842 2.487 . 0 0 "[ . 1 . 2]" 1
155 1 8 VAL MG2 1 53 PHE QD 3.500 . 4.500 4.193 3.873 4.427 . 0 0 "[ . 1 . 2]" 1
156 1 8 VAL MG2 1 53 PHE QE 2.500 . 3.500 2.712 2.429 3.189 . 0 0 "[ . 1 . 2]" 1
157 1 8 VAL MG2 1 53 PHE HZ 2.500 . 3.500 2.356 2.020 2.713 . 0 0 "[ . 1 . 2]" 1
158 1 9 ASP H 1 9 ASP HA 2.500 . 3.500 2.816 2.729 2.912 . 0 0 "[ . 1 . 2]" 1
159 1 9 ASP H 1 9 ASP QB 2.500 . 3.500 2.248 2.044 2.463 . 0 0 "[ . 1 . 2]" 1
160 1 9 ASP H 1 38 LEU QB 5.000 2.500 6.000 3.197 2.755 3.546 . 0 0 "[ . 1 . 2]" 1
161 1 9 ASP H 1 39 VAL HA 2.500 . 3.500 2.795 2.335 3.499 . 0 0 "[ . 1 . 2]" 1
162 1 9 ASP H 1 39 VAL MG1 5.000 2.500 6.000 4.143 3.661 4.789 . 0 0 "[ . 1 . 2]" 1
163 1 9 ASP H 1 39 VAL MG2 3.500 . 4.500 3.420 2.761 4.048 . 0 0 "[ . 1 . 2]" 1
164 1 9 ASP H 1 40 GLY H 3.500 . 4.500 3.991 3.199 4.508 0.008 17 0 "[ . 1 . 2]" 1
165 1 9 ASP HA 1 9 ASP QB 2.000 . 2.800 2.457 2.369 2.542 . 0 0 "[ . 1 . 2]" 1
166 1 9 ASP HA 1 11 CYS H 3.500 . 4.500 3.638 3.246 4.155 . 0 0 "[ . 1 . 2]" 1
167 1 9 ASP QB 1 10 ASN QD 3.500 . 4.500 3.726 2.186 4.477 . 0 0 "[ . 1 . 2]" 1
168 1 9 ASP QB 1 38 LEU QB 2.500 . 3.500 2.540 1.978 2.945 . 0 0 "[ . 1 . 2]" 1
169 1 9 ASP QB 1 38 LEU MD1 3.500 . 4.500 2.343 2.003 2.766 . 0 0 "[ . 1 . 2]" 1
170 1 9 ASP QB 1 38 LEU MD2 3.500 . 4.500 4.457 4.271 4.507 0.007 12 0 "[ . 1 . 2]" 1
171 1 9 ASP QB 1 38 LEU HG 2.500 . 3.500 3.436 3.160 3.506 0.006 11 0 "[ . 1 . 2]" 1
172 1 9 ASP QB 1 39 VAL HA 5.000 2.500 6.000 3.780 2.923 4.322 . 0 0 "[ . 1 . 2]" 1
173 1 10 ASN HA 1 10 ASN QB 2.500 . 3.500 2.404 2.185 2.536 . 0 0 "[ . 1 . 2]" 1
174 1 10 ASN HA 1 11 CYS H 5.000 2.500 6.000 2.765 2.485 2.986 0.015 18 0 "[ . 1 . 2]" 1
175 1 10 ASN QB 1 10 ASN QD 2.500 . 3.500 2.192 2.063 2.537 . 0 0 "[ . 1 . 2]" 1
176 1 11 CYS H 1 11 CYS HB2 2.500 . 3.500 3.191 3.000 3.342 . 0 0 "[ . 1 . 2]" 1
177 1 11 CYS H 1 11 CYS HB3 2.500 . 3.500 2.991 2.646 3.293 . 0 0 "[ . 1 . 2]" 1
178 1 11 CYS H 1 12 GLY H 5.000 2.500 6.000 3.398 2.488 4.071 0.012 10 0 "[ . 1 . 2]" 1
179 1 11 CYS H 1 31 HIS HE1 5.000 2.500 6.000 5.167 4.844 5.304 . 0 0 "[ . 1 . 2]" 1
180 1 11 CYS HA 1 11 CYS HB2 2.500 . 3.500 2.544 2.457 2.610 . 0 0 "[ . 1 . 2]" 1
181 1 11 CYS HA 1 11 CYS HB3 2.500 . 3.500 3.016 3.000 3.028 . 0 0 "[ . 1 . 2]" 1
182 1 11 CYS HA 1 12 GLY H 3.500 . 4.500 2.612 2.146 3.576 . 0 0 "[ . 1 . 2]" 1
183 1 11 CYS HA 1 31 HIS HE1 3.500 . 4.500 4.012 3.403 4.416 . 0 0 "[ . 1 . 2]" 1
184 1 11 CYS HB2 1 31 HIS HE1 2.500 . 3.500 2.045 1.944 2.240 . 0 0 "[ . 1 . 2]" 1
185 1 11 CYS HB3 1 12 GLY H 3.500 . 4.500 3.623 1.989 4.438 0.011 10 0 "[ . 1 . 2]" 1
186 1 11 CYS HB3 1 31 HIS HE1 2.500 . 3.500 3.287 2.971 3.506 0.006 13 0 "[ . 1 . 2]" 1
187 1 12 GLY H 1 12 GLY QA 3.500 . 4.500 2.252 2.194 2.372 . 0 0 "[ . 1 . 2]" 1
188 1 12 GLY HA2 1 13 ALA H 3.500 . 4.500 2.838 2.568 2.975 . 0 0 "[ . 1 . 2]" 1
189 1 12 GLY HA3 1 13 ALA H 3.500 . 4.500 3.524 3.483 3.568 . 0 0 "[ . 1 . 2]" 1
190 1 13 ALA H 1 13 ALA HA 2.500 . 3.500 2.865 2.795 2.935 . 0 0 "[ . 1 . 2]" 1
191 1 13 ALA H 1 13 ALA MB 2.000 . 2.800 2.219 2.079 2.345 . 0 0 "[ . 1 . 2]" 1
192 1 13 ALA H 1 15 LEU QD 5.000 2.500 6.000 5.233 4.831 5.516 . 0 0 "[ . 1 . 2]" 1
193 1 13 ALA HA 1 13 ALA MB 2.000 . 2.800 2.115 2.098 2.129 . 0 0 "[ . 1 . 2]" 1
194 1 13 ALA HA 1 14 ASP H 2.000 . 2.800 2.261 2.141 2.620 . 0 0 "[ . 1 . 2]" 1
195 1 13 ALA MB 1 14 ASP H 2.500 . 3.500 2.868 2.099 3.491 . 0 0 "[ . 1 . 2]" 1
196 1 13 ALA MB 1 15 LEU QD 2.500 . 3.500 3.172 2.665 3.502 0.002 16 0 "[ . 1 . 2]" 1
197 1 13 ALA MB 1 28 CYS H 5.000 2.500 6.000 4.139 3.583 4.593 . 0 0 "[ . 1 . 2]" 1
198 1 13 ALA MB 1 28 CYS HB2 2.500 . 3.500 2.962 2.227 3.488 . 0 0 "[ . 1 . 2]" 1
199 1 13 ALA MB 1 28 CYS QB 2.000 . 2.800 2.197 1.757 2.668 . 0 0 "[ . 1 . 2]" 1
200 1 13 ALA MB 1 28 CYS HB3 2.500 . 3.500 2.266 1.840 2.769 . 0 0 "[ . 1 . 2]" 1
201 1 14 ASP H 1 14 ASP HB2 2.000 . 2.800 2.488 2.193 2.792 . 0 0 "[ . 1 . 2]" 1
202 1 14 ASP H 1 14 ASP HB3 2.500 . 3.500 2.895 2.635 3.094 . 0 0 "[ . 1 . 2]" 1
203 1 14 ASP HA 1 14 ASP HB2 2.000 . 2.800 2.659 2.520 2.711 . 0 0 "[ . 1 . 2]" 1
204 1 14 ASP HA 1 14 ASP HB3 2.500 . 3.500 2.980 2.957 3.023 . 0 0 "[ . 1 . 2]" 1
205 1 14 ASP HA 1 15 LEU H 2.000 . 2.800 2.180 2.135 2.431 . 0 0 "[ . 1 . 2]" 1
206 1 14 ASP HA 1 15 LEU QB 3.500 . 4.500 4.470 4.379 4.507 0.007 20 0 "[ . 1 . 2]" 1
207 1 14 ASP HA 1 15 LEU HG 3.500 . 4.500 3.655 3.153 3.860 . 0 0 "[ . 1 . 2]" 1
208 1 14 ASP HA 1 16 SER H 3.500 . 4.500 4.153 3.885 4.397 . 0 0 "[ . 1 . 2]" 1
209 1 15 LEU H 1 15 LEU QB 2.500 . 3.500 2.561 2.454 2.832 . 0 0 "[ . 1 . 2]" 1
210 1 15 LEU H 1 15 LEU QD 2.500 . 3.500 3.218 3.047 3.465 . 0 0 "[ . 1 . 2]" 1
211 1 15 LEU H 1 15 LEU HG 2.500 . 3.500 2.505 2.252 2.886 . 0 0 "[ . 1 . 2]" 1
212 1 15 LEU H 1 16 SER H 2.500 . 3.500 3.111 2.354 3.502 0.002 18 0 "[ . 1 . 2]" 1
213 1 15 LEU HA 1 15 LEU QD 2.000 . 2.800 2.179 1.968 2.395 . 0 0 "[ . 1 . 2]" 1
214 1 15 LEU HA 1 16 SER H 3.500 . 4.500 2.725 2.573 2.896 . 0 0 "[ . 1 . 2]" 1
215 1 15 LEU HA 1 17 LYS H 5.000 2.500 6.000 3.689 3.408 4.035 . 0 0 "[ . 1 . 2]" 1
216 1 15 LEU HA 1 18 VAL H 5.000 2.500 6.000 3.787 3.181 4.579 . 0 0 "[ . 1 . 2]" 1
217 1 15 LEU HA 1 18 VAL MG1 2.500 . 3.500 2.679 1.946 3.383 . 0 0 "[ . 1 . 2]" 1
218 1 15 LEU HA 1 18 VAL MG2 2.500 . 3.500 2.420 1.997 2.880 . 0 0 "[ . 1 . 2]" 1
219 1 15 LEU QB 1 15 LEU QD 2.000 . 2.800 1.904 1.824 1.942 . 0 0 "[ . 1 . 2]" 1
220 1 15 LEU QB 1 15 LEU HG 2.000 . 2.800 2.388 2.328 2.462 . 0 0 "[ . 1 . 2]" 1
221 1 15 LEU QB 1 16 SER H 3.500 . 4.500 3.870 3.809 3.899 . 0 0 "[ . 1 . 2]" 1
222 1 15 LEU QB 1 18 VAL MG2 3.500 . 4.500 2.177 2.000 2.628 . 0 0 "[ . 1 . 2]" 1
223 1 15 LEU QB 1 23 ARG HA 2.500 . 3.500 2.597 1.905 3.153 . 0 0 "[ . 1 . 2]" 1
224 1 15 LEU QD 1 16 SER H 5.000 2.500 6.000 4.304 4.157 4.489 . 0 0 "[ . 1 . 2]" 1
225 1 15 LEU QD 1 18 VAL MG1 2.500 . 3.500 2.449 1.913 3.013 . 0 0 "[ . 1 . 2]" 1
226 1 15 LEU QD 1 18 VAL MG2 2.000 . 2.800 2.748 2.489 2.809 0.009 14 0 "[ . 1 . 2]" 1
227 1 15 LEU QD 1 22 HIS HB3 3.500 . 4.500 2.785 2.300 3.146 . 0 0 "[ . 1 . 2]" 1
228 1 15 LEU QD 1 23 ARG HA 2.000 . 2.800 2.241 1.918 2.636 . 0 0 "[ . 1 . 2]" 1
229 1 15 LEU QD 1 26 LYS H 3.500 . 4.500 3.352 2.854 3.741 . 0 0 "[ . 1 . 2]" 1
230 1 15 LEU QD 1 26 LYS HA 2.000 . 2.800 2.293 2.097 2.612 . 0 0 "[ . 1 . 2]" 1
231 1 15 LEU QD 1 27 VAL H 2.500 . 3.500 2.064 1.809 2.591 . 0 0 "[ . 1 . 2]" 1
232 1 15 LEU QD 1 27 VAL HA 3.500 . 4.500 3.115 2.907 3.280 . 0 0 "[ . 1 . 2]" 1
233 1 15 LEU QD 1 28 CYS H 3.500 . 4.500 3.147 2.884 3.415 . 0 0 "[ . 1 . 2]" 1
234 1 15 LEU QD 1 28 CYS HA 2.000 . 2.800 2.072 1.874 2.411 . 0 0 "[ . 1 . 2]" 1
235 1 15 LEU QD 1 28 CYS HB2 2.500 . 3.500 3.343 2.926 3.505 0.005 19 0 "[ . 1 . 2]" 1
236 1 15 LEU QD 1 28 CYS HB3 2.500 . 3.500 2.752 2.417 2.998 . 0 0 "[ . 1 . 2]" 1
237 1 15 LEU QD 1 29 GLU H 3.500 . 4.500 4.033 3.750 4.298 . 0 0 "[ . 1 . 2]" 1
238 1 16 SER H 1 16 SER HB2 3.500 . 4.500 2.877 2.215 3.719 . 0 0 "[ . 1 . 2]" 1
239 1 16 SER H 1 16 SER HB3 3.500 . 4.500 2.917 2.443 3.673 . 0 0 "[ . 1 . 2]" 1
240 1 16 SER H 1 17 LYS H 3.500 . 4.500 2.134 1.998 2.288 0.002 7 0 "[ . 1 . 2]" 1
241 1 16 SER HA 1 16 SER QB 2.000 . 2.800 2.365 2.178 2.509 . 0 0 "[ . 1 . 2]" 1
242 1 16 SER HA 1 17 LYS H 5.000 2.500 6.000 3.491 3.448 3.547 . 0 0 "[ . 1 . 2]" 1
243 1 17 LYS H 1 17 LYS HA 2.500 . 3.500 2.898 2.848 2.941 . 0 0 "[ . 1 . 2]" 1
244 1 17 LYS H 1 17 LYS HB2 2.500 . 3.500 2.427 2.230 2.619 . 0 0 "[ . 1 . 2]" 1
245 1 17 LYS H 1 17 LYS HB3 2.500 . 3.500 2.811 2.502 2.994 . 0 0 "[ . 1 . 2]" 1
246 1 17 LYS H 1 17 LYS HG2 3.500 . 4.500 4.464 4.321 4.515 0.015 17 0 "[ . 1 . 2]" 1
247 1 17 LYS H 1 17 LYS HG3 3.500 . 4.500 4.394 4.190 4.507 0.007 17 0 "[ . 1 . 2]" 1
248 1 17 LYS H 1 18 VAL H 2.500 . 3.500 2.642 2.280 3.023 . 0 0 "[ . 1 . 2]" 1
249 1 17 LYS HA 1 17 LYS HB2 2.500 . 3.500 2.630 2.468 2.717 . 0 0 "[ . 1 . 2]" 1
250 1 17 LYS HA 1 17 LYS HB3 2.500 . 3.500 2.987 2.952 3.023 . 0 0 "[ . 1 . 2]" 1
251 1 17 LYS HA 1 17 LYS HG2 2.500 . 3.500 2.490 2.127 3.487 . 0 0 "[ . 1 . 2]" 1
252 1 17 LYS HA 1 17 LYS QG 3.500 . 4.500 2.261 2.092 2.405 . 0 0 "[ . 1 . 2]" 1
253 1 17 LYS HA 1 17 LYS HG3 2.500 . 3.500 2.816 2.395 3.176 . 0 0 "[ . 1 . 2]" 1
254 1 17 LYS HA 1 18 VAL H 2.500 . 3.500 3.207 2.784 3.503 0.003 1 0 "[ . 1 . 2]" 1
255 1 17 LYS HB2 1 17 LYS QE 5.000 2.500 6.000 4.023 3.340 4.332 . 0 0 "[ . 1 . 2]" 1
256 1 17 LYS QD 1 17 LYS QE 2.000 . 2.800 2.043 2.008 2.086 . 0 0 "[ . 1 . 2]" 1
257 1 17 LYS QE 1 17 LYS QG 2.500 . 3.500 2.148 1.974 2.442 . 0 0 "[ . 1 . 2]" 1
258 1 18 VAL H 1 18 VAL HA 2.500 . 3.500 2.863 2.762 2.949 . 0 0 "[ . 1 . 2]" 1
259 1 18 VAL H 1 18 VAL HB 3.500 . 4.500 3.658 3.600 3.769 . 0 0 "[ . 1 . 2]" 1
260 1 18 VAL H 1 18 VAL MG1 2.500 . 3.500 2.614 2.173 3.186 . 0 0 "[ . 1 . 2]" 1
261 1 18 VAL H 1 18 VAL MG2 2.000 . 2.800 2.077 1.937 2.244 . 0 0 "[ . 1 . 2]" 1
262 1 18 VAL HA 1 18 VAL HB 2.500 . 3.500 2.507 2.476 2.554 . 0 0 "[ . 1 . 2]" 1
263 1 18 VAL HA 1 18 VAL MG1 2.000 . 2.800 2.270 2.132 2.368 . 0 0 "[ . 1 . 2]" 1
264 1 18 VAL HA 1 18 VAL MG2 3.500 . 4.500 3.194 3.183 3.204 . 0 0 "[ . 1 . 2]" 1
265 1 18 VAL HA 1 19 LYS H 2.000 . 2.800 2.525 2.418 2.594 . 0 0 "[ . 1 . 2]" 1
266 1 18 VAL HB 1 18 VAL MG1 2.000 . 2.800 2.106 2.084 2.128 . 0 0 "[ . 1 . 2]" 1
267 1 18 VAL HB 1 19 LYS H 2.000 . 2.800 2.119 1.988 2.347 . 0 0 "[ . 1 . 2]" 1
268 1 18 VAL HB 1 22 HIS HB2 2.500 . 3.500 2.902 2.390 3.321 . 0 0 "[ . 1 . 2]" 1
269 1 18 VAL HB 1 22 HIS HD1 5.000 2.500 6.000 3.859 2.882 4.579 . 0 0 "[ . 1 . 2]" 1
270 1 18 VAL MG1 1 18 VAL MG2 2.000 . 2.800 2.029 1.880 2.092 . 0 0 "[ . 1 . 2]" 1
271 1 18 VAL MG1 1 19 LYS H 3.500 . 4.500 3.472 3.315 3.573 . 0 0 "[ . 1 . 2]" 1
272 1 18 VAL MG1 1 22 HIS HB2 5.000 2.500 6.000 2.921 2.497 3.554 0.003 1 0 "[ . 1 . 2]" 1
273 1 18 VAL MG1 1 22 HIS HB3 5.000 2.500 6.000 3.131 2.659 4.026 . 0 0 "[ . 1 . 2]" 1
274 1 18 VAL MG1 1 23 ARG QB 3.500 . 4.500 4.320 3.903 4.502 0.002 4 0 "[ . 1 . 2]" 1
275 1 18 VAL MG2 1 19 LYS H 2.500 . 3.500 3.336 3.134 3.502 0.002 9 0 "[ . 1 . 2]" 1
276 1 18 VAL MG2 1 22 HIS HB2 2.500 . 3.500 3.270 2.723 3.503 0.003 14 0 "[ . 1 . 2]" 1
277 1 18 VAL MG2 1 22 HIS HB3 3.500 . 4.500 3.669 2.609 4.296 . 0 0 "[ . 1 . 2]" 1
278 1 18 VAL MG2 1 22 HIS HD1 5.000 2.500 6.000 4.720 4.017 5.129 . 0 0 "[ . 1 . 2]" 1
279 1 18 VAL MG2 1 23 ARG H 3.500 . 4.500 3.440 2.555 4.357 . 0 0 "[ . 1 . 2]" 1
280 1 18 VAL MG2 1 23 ARG HA 2.500 . 3.500 3.245 2.779 3.510 0.010 9 0 "[ . 1 . 2]" 1
281 1 18 VAL MG2 1 23 ARG QB 3.500 . 4.500 2.164 1.988 2.410 0.012 9 0 "[ . 1 . 2]" 1
282 1 19 LYS H 1 19 LYS QB 2.000 . 2.800 2.352 2.066 2.538 . 0 0 "[ . 1 . 2]" 1
283 1 19 LYS H 1 19 LYS QG 2.500 . 3.500 3.044 2.044 3.496 . 0 0 "[ . 1 . 2]" 1
284 1 19 LYS H 1 20 ASP H 2.500 . 3.500 2.697 1.988 3.161 . 0 0 "[ . 1 . 2]" 1
285 1 19 LYS HA 1 19 LYS QB 2.500 . 3.500 2.438 2.319 2.534 . 0 0 "[ . 1 . 2]" 1
286 1 19 LYS HA 1 20 ASP H 2.500 . 3.500 3.536 3.518 3.550 0.050 10 0 "[ . 1 . 2]" 1
287 1 19 LYS QB 1 19 LYS QG 2.000 . 2.800 2.038 2.001 2.086 . 0 0 "[ . 1 . 2]" 1
288 1 19 LYS QB 1 20 ASP H 2.500 . 3.500 2.100 1.934 2.671 . 0 0 "[ . 1 . 2]" 1
289 1 19 LYS QB 1 22 HIS HD1 5.000 2.500 6.000 5.286 3.522 5.999 . 0 0 "[ . 1 . 2]" 1
290 1 20 ASP H 1 20 ASP QB 2.500 . 3.500 2.849 2.491 3.334 . 0 0 "[ . 1 . 2]" 1
291 1 20 ASP HA 1 20 ASP HB2 2.500 . 3.500 2.767 2.511 3.015 . 0 0 "[ . 1 . 2]" 1
292 1 20 ASP HA 1 20 ASP HB3 2.500 . 3.500 2.813 2.382 3.015 . 0 0 "[ . 1 . 2]" 1
293 1 20 ASP HA 1 21 TYR H 3.500 . 4.500 3.025 2.496 3.545 . 0 0 "[ . 1 . 2]" 1
294 1 20 ASP HA 1 23 ARG H 5.000 2.500 6.000 3.607 2.869 4.703 . 0 0 "[ . 1 . 2]" 1
295 1 20 ASP HA 1 23 ARG HB2 3.500 . 4.500 3.496 2.209 4.500 . 19 0 "[ . 1 . 2]" 1
296 1 20 ASP HA 1 23 ARG HB3 3.500 . 4.500 3.200 2.322 3.970 . 0 0 "[ . 1 . 2]" 1
297 1 20 ASP QB 1 21 TYR H 2.500 . 3.500 2.462 1.984 3.335 . 0 0 "[ . 1 . 2]" 1
298 1 21 TYR H 1 21 TYR HB3 3.500 . 4.500 3.361 2.540 3.900 . 0 0 "[ . 1 . 2]" 1
299 1 21 TYR H 1 21 TYR QD 5.000 2.500 6.000 4.146 3.901 4.491 . 0 0 "[ . 1 . 2]" 1
300 1 21 TYR H 1 22 HIS H 5.000 2.500 6.000 3.121 2.662 3.782 . 0 0 "[ . 1 . 2]" 1
301 1 21 TYR HA 1 21 TYR HB2 2.500 . 3.500 2.618 2.456 2.711 . 0 0 "[ . 1 . 2]" 1
302 1 21 TYR HA 1 21 TYR QD 3.500 . 4.500 2.934 2.264 3.174 . 0 0 "[ . 1 . 2]" 1
303 1 21 TYR HA 1 21 TYR QE 5.000 2.500 6.000 4.528 4.307 4.754 . 0 0 "[ . 1 . 2]" 1
304 1 21 TYR HA 1 22 HIS H 5.000 2.500 6.000 3.284 2.545 3.571 . 0 0 "[ . 1 . 2]" 1
305 1 21 TYR HA 1 24 ARG H 5.000 2.500 6.000 4.547 3.562 5.095 . 0 0 "[ . 1 . 2]" 1
306 1 21 TYR HA 1 24 ARG QB 3.500 . 4.500 4.055 2.710 4.505 0.005 15 0 "[ . 1 . 2]" 1
307 1 21 TYR HB2 1 21 TYR QD 2.500 . 3.500 2.370 2.277 2.652 . 0 0 "[ . 1 . 2]" 1
308 1 21 TYR HB2 1 21 TYR QE 3.500 . 4.500 4.408 4.382 4.483 . 0 0 "[ . 1 . 2]" 1
309 1 21 TYR HB3 1 21 TYR QD 2.500 . 3.500 2.466 2.278 2.689 . 0 0 "[ . 1 . 2]" 1
310 1 21 TYR HB3 1 21 TYR QE 3.500 . 4.500 4.435 4.384 4.493 . 0 0 "[ . 1 . 2]" 1
311 1 21 TYR HB3 1 22 HIS H 3.500 . 4.500 3.062 1.997 4.355 0.003 1 0 "[ . 1 . 2]" 1
312 1 21 TYR QD 1 22 HIS HA 3.500 . 4.500 3.916 2.819 4.518 0.018 17 0 "[ . 1 . 2]" 1
313 1 21 TYR QE 1 27 VAL MG1 5.000 2.500 6.000 5.178 4.219 5.806 . 0 0 "[ . 1 . 2]" 1
314 1 21 TYR QE 1 32 SER QB 5.000 2.500 6.000 5.329 3.573 5.999 . 0 0 "[ . 1 . 2]" 1
315 1 21 TYR QE 1 46 PHE QE 2.500 . 3.500 2.786 1.994 3.372 . 0 0 "[ . 1 . 2]" 1
316 1 21 TYR QE 1 48 GLN QG 3.500 . 4.500 3.618 2.308 4.446 . 0 0 "[ . 1 . 2]" 1
317 1 21 TYR QE 1 51 SER HA 5.000 2.500 6.000 4.698 3.399 5.547 . 0 0 "[ . 1 . 2]" 1
318 1 22 HIS H 1 22 HIS HB2 3.500 . 4.500 2.600 2.223 3.028 . 0 0 "[ . 1 . 2]" 1
319 1 22 HIS H 1 22 HIS HB3 3.500 . 4.500 3.706 3.518 3.904 . 0 0 "[ . 1 . 2]" 1
320 1 22 HIS H 1 23 ARG H 2.500 . 3.500 2.507 2.002 3.451 . 0 0 "[ . 1 . 2]" 1
321 1 22 HIS HA 1 22 HIS HB3 2.500 . 3.500 2.566 2.426 2.697 . 0 0 "[ . 1 . 2]" 1
322 1 22 HIS HA 1 22 HIS HD2 3.500 . 4.500 2.481 2.168 2.890 . 0 0 "[ . 1 . 2]" 1
323 1 22 HIS HA 1 23 ARG H 5.000 2.500 6.000 3.252 2.609 3.558 . 0 0 "[ . 1 . 2]" 1
324 1 22 HIS HA 1 27 VAL H 5.000 2.500 6.000 3.944 3.443 4.698 . 0 0 "[ . 1 . 2]" 1
325 1 22 HIS HA 1 27 VAL MG1 3.500 . 4.500 2.699 2.080 3.043 . 0 0 "[ . 1 . 2]" 1
326 1 22 HIS HB2 1 22 HIS HD2 3.500 . 4.500 3.956 3.904 3.973 . 0 0 "[ . 1 . 2]" 1
327 1 22 HIS HB2 1 23 ARG H 3.500 . 4.500 3.319 2.554 4.382 . 0 0 "[ . 1 . 2]" 1
328 1 22 HIS HD2 1 27 VAL MG1 3.500 . 4.500 2.424 1.996 3.011 0.004 14 0 "[ . 1 . 2]" 1
329 1 22 HIS HD2 1 27 VAL MG2 3.500 . 4.500 3.871 3.325 4.500 . 0 0 "[ . 1 . 2]" 1
330 1 22 HIS HD2 1 29 GLU HA 3.500 . 4.500 3.991 3.519 4.486 . 0 0 "[ . 1 . 2]" 1
331 1 22 HIS HD2 1 32 SER QB 3.500 . 4.500 2.866 1.999 3.635 0.001 1 0 "[ . 1 . 2]" 1
332 1 22 HIS HD2 1 46 PHE QE 3.500 . 4.500 4.446 4.213 4.502 0.002 14 0 "[ . 1 . 2]" 1
333 1 22 HIS HE1 1 29 GLU HA 3.500 . 4.500 3.613 3.037 3.987 . 0 0 "[ . 1 . 2]" 1
334 1 22 HIS HE1 1 29 GLU QB 3.500 . 4.500 4.087 2.586 4.501 0.001 17 0 "[ . 1 . 2]" 1
335 1 22 HIS HE1 1 29 GLU QG 5.000 2.500 6.000 3.023 2.498 4.959 0.002 19 0 "[ . 1 . 2]" 1
336 1 22 HIS HE1 1 32 SER QB 3.500 . 4.500 4.097 3.222 4.503 0.003 19 0 "[ . 1 . 2]" 1
337 1 23 ARG H 1 23 ARG HA 2.500 . 3.500 2.880 2.803 2.947 . 0 0 "[ . 1 . 2]" 1
338 1 23 ARG H 1 23 ARG HB2 2.500 . 3.500 2.642 2.126 3.335 . 0 0 "[ . 1 . 2]" 1
339 1 23 ARG H 1 23 ARG HB3 2.500 . 3.500 2.818 2.455 3.214 . 0 0 "[ . 1 . 2]" 1
340 1 23 ARG H 1 23 ARG QG 3.500 . 4.500 4.020 3.597 4.327 . 0 0 "[ . 1 . 2]" 1
341 1 23 ARG H 1 24 ARG H 3.500 . 4.500 2.526 2.027 2.986 . 0 0 "[ . 1 . 2]" 1
342 1 23 ARG H 1 25 HIS H 5.000 2.500 6.000 3.649 2.546 4.895 . 0 0 "[ . 1 . 2]" 1
343 1 23 ARG HA 1 23 ARG HB2 2.500 . 3.500 2.581 2.434 2.845 . 0 0 "[ . 1 . 2]" 1
344 1 23 ARG HA 1 23 ARG HB3 2.500 . 3.500 2.994 2.859 3.025 . 0 0 "[ . 1 . 2]" 1
345 1 23 ARG HA 1 23 ARG QG 2.000 . 2.800 2.265 2.032 2.512 . 0 0 "[ . 1 . 2]" 1
346 1 23 ARG HA 1 24 ARG H 3.500 . 4.500 3.481 2.832 3.571 . 0 0 "[ . 1 . 2]" 1
347 1 23 ARG HA 1 26 LYS H 3.500 . 4.500 3.549 3.235 3.909 . 0 0 "[ . 1 . 2]" 1
348 1 23 ARG HB2 1 24 ARG H 3.500 . 4.500 3.682 3.267 4.504 0.004 9 0 "[ . 1 . 2]" 1
349 1 23 ARG HB3 1 24 ARG H 3.500 . 4.500 2.590 2.028 4.202 . 0 0 "[ . 1 . 2]" 1
350 1 23 ARG QD 1 23 ARG QG 2.000 . 2.800 2.033 1.978 2.087 . 0 0 "[ . 1 . 2]" 1
351 1 24 ARG H 1 24 ARG QB 2.500 . 3.500 2.172 2.039 2.482 . 0 0 "[ . 1 . 2]" 1
352 1 24 ARG H 1 25 HIS H 3.500 . 4.500 2.552 1.999 2.771 0.001 11 0 "[ . 1 . 2]" 1
353 1 24 ARG HA 1 24 ARG HB2 2.500 . 3.500 2.742 2.507 2.975 . 0 0 "[ . 1 . 2]" 1
354 1 24 ARG HA 1 24 ARG QB 2.000 . 2.800 2.491 2.392 2.541 . 0 0 "[ . 1 . 2]" 1
355 1 24 ARG HA 1 24 ARG HB3 2.500 . 3.500 2.904 2.669 3.022 . 0 0 "[ . 1 . 2]" 1
356 1 24 ARG HA 1 24 ARG HG2 3.500 . 4.500 2.739 2.045 3.546 . 0 0 "[ . 1 . 2]" 1
357 1 24 ARG HA 1 24 ARG QG 2.500 . 3.500 2.218 2.019 2.318 . 0 0 "[ . 1 . 2]" 1
358 1 24 ARG HA 1 24 ARG HG3 3.500 . 4.500 2.675 2.099 3.588 . 0 0 "[ . 1 . 2]" 1
359 1 24 ARG HA 1 25 HIS H 3.500 . 4.500 3.513 3.489 3.554 . 0 0 "[ . 1 . 2]" 1
360 1 24 ARG QB 1 24 ARG QG 2.000 . 2.800 2.051 2.009 2.087 . 0 0 "[ . 1 . 2]" 1
361 1 24 ARG QB 1 25 HIS H 5.000 2.500 6.000 2.722 2.498 2.870 0.002 9 0 "[ . 1 . 2]" 1
362 1 24 ARG QD 1 24 ARG HE 3.500 . 4.500 2.396 2.191 2.491 . 0 0 "[ . 1 . 2]" 1
363 1 25 HIS H 1 25 HIS HB2 3.500 . 4.500 2.426 2.154 2.629 . 0 0 "[ . 1 . 2]" 1
364 1 25 HIS H 1 25 HIS HB3 3.500 . 4.500 3.574 3.002 3.766 . 0 0 "[ . 1 . 2]" 1
365 1 25 HIS H 1 26 LYS H 3.500 . 4.500 2.490 2.243 2.687 . 0 0 "[ . 1 . 2]" 1
366 1 25 HIS HA 1 25 HIS QB 2.500 . 3.500 2.396 2.324 2.514 . 0 0 "[ . 1 . 2]" 1
367 1 25 HIS HA 1 26 LYS H 3.500 . 4.500 3.330 2.959 3.446 . 0 0 "[ . 1 . 2]" 1
368 1 25 HIS QB 1 27 VAL MG1 3.500 . 4.500 2.306 1.994 3.068 0.006 10 0 "[ . 1 . 2]" 1
369 1 25 HIS QB 1 46 PHE QE 5.000 2.500 6.000 2.629 2.500 2.848 . 0 0 "[ . 1 . 2]" 1
370 1 25 HIS QB 1 46 PHE HZ 3.500 . 4.500 2.963 2.033 3.889 . 0 0 "[ . 1 . 2]" 1
371 1 25 HIS HB2 1 27 VAL MG1 3.500 . 4.500 2.568 2.073 3.729 . 0 0 "[ . 1 . 2]" 1
372 1 25 HIS HB3 1 27 VAL MG1 3.500 . 4.500 2.815 2.249 4.359 . 0 0 "[ . 1 . 2]" 1
373 1 26 LYS H 1 26 LYS HA 2.000 . 2.800 2.273 2.269 2.280 . 0 0 "[ . 1 . 2]" 1
374 1 26 LYS H 1 26 LYS QB 3.500 . 4.500 3.277 3.058 3.424 . 0 0 "[ . 1 . 2]" 1
375 1 26 LYS H 1 26 LYS QG 2.500 . 3.500 2.887 2.453 3.427 . 0 0 "[ . 1 . 2]" 1
376 1 26 LYS H 1 27 VAL H 3.500 . 4.500 2.998 2.644 3.460 . 0 0 "[ . 1 . 2]" 1
377 1 26 LYS HA 1 26 LYS HB2 2.500 . 3.500 2.996 2.896 3.024 . 0 0 "[ . 1 . 2]" 1
378 1 26 LYS HA 1 26 LYS QB 2.500 . 3.500 2.412 2.303 2.536 . 0 0 "[ . 1 . 2]" 1
379 1 26 LYS HA 1 26 LYS HB3 2.500 . 3.500 2.553 2.390 2.803 . 0 0 "[ . 1 . 2]" 1
380 1 26 LYS HA 1 26 LYS QG 2.500 . 3.500 2.355 2.049 2.618 . 0 0 "[ . 1 . 2]" 1
381 1 26 LYS HA 1 27 VAL H 2.500 . 3.500 2.492 2.225 2.953 . 0 0 "[ . 1 . 2]" 1
382 1 26 LYS QB 1 26 LYS QE 5.000 2.500 6.000 3.186 2.594 3.658 . 0 0 "[ . 1 . 2]" 1
383 1 26 LYS QB 1 26 LYS QG 2.000 . 2.800 2.057 2.022 2.087 . 0 0 "[ . 1 . 2]" 1
384 1 26 LYS QD 1 26 LYS QG 2.000 . 2.800 2.050 2.025 2.082 . 0 0 "[ . 1 . 2]" 1
385 1 26 LYS HD2 1 26 LYS QE 2.500 . 3.500 2.307 2.141 2.531 . 0 0 "[ . 1 . 2]" 1
386 1 26 LYS HD3 1 26 LYS QE 2.500 . 3.500 2.336 2.142 2.532 . 0 0 "[ . 1 . 2]" 1
387 1 26 LYS QE 1 26 LYS QG 2.500 . 3.500 2.098 1.960 2.441 . 0 0 "[ . 1 . 2]" 1
388 1 27 VAL H 1 27 VAL HA 2.500 . 3.500 2.841 2.787 2.945 . 0 0 "[ . 1 . 2]" 1
389 1 27 VAL H 1 27 VAL HB 3.500 . 4.500 3.475 3.149 3.584 . 0 0 "[ . 1 . 2]" 1
390 1 27 VAL H 1 27 VAL MG1 2.500 . 3.500 2.528 2.043 2.816 . 0 0 "[ . 1 . 2]" 1
391 1 27 VAL H 1 27 VAL MG2 3.500 . 4.500 4.024 3.909 4.066 . 0 0 "[ . 1 . 2]" 1
392 1 27 VAL HA 1 27 VAL HB 2.500 . 3.500 2.456 2.448 2.462 . 0 0 "[ . 1 . 2]" 1
393 1 27 VAL HA 1 27 VAL MG1 3.500 . 4.500 3.200 3.192 3.208 . 0 0 "[ . 1 . 2]" 1
394 1 27 VAL HA 1 27 VAL MG2 2.000 . 2.800 2.315 2.247 2.403 . 0 0 "[ . 1 . 2]" 1
395 1 27 VAL HA 1 28 CYS H 2.000 . 2.800 2.223 2.148 2.363 . 0 0 "[ . 1 . 2]" 1
396 1 27 VAL HA 1 28 CYS QB 3.500 . 4.500 4.277 4.213 4.363 . 0 0 "[ . 1 . 2]" 1
397 1 27 VAL HA 1 53 PHE QE 5.000 2.500 6.000 3.864 3.178 4.274 . 0 0 "[ . 1 . 2]" 1
398 1 27 VAL HB 1 27 VAL MG2 2.000 . 2.800 2.116 2.085 2.129 . 0 0 "[ . 1 . 2]" 1
399 1 27 VAL HB 1 28 CYS H 3.500 . 4.500 4.070 3.855 4.256 . 0 0 "[ . 1 . 2]" 1
400 1 27 VAL HB 1 53 PHE QD 3.500 . 4.500 4.251 3.361 4.510 0.010 19 0 "[ . 1 . 2]" 1
401 1 27 VAL HB 1 53 PHE QE 3.500 . 4.500 2.685 2.183 3.082 . 0 0 "[ . 1 . 2]" 1
402 1 27 VAL HB 1 53 PHE HZ 5.000 2.500 6.000 3.600 3.143 4.094 . 0 0 "[ . 1 . 2]" 1
403 1 27 VAL MG1 1 27 VAL MG2 2.000 . 2.800 2.050 1.933 2.099 . 0 0 "[ . 1 . 2]" 1
404 1 27 VAL MG1 1 28 CYS H 5.000 2.500 6.000 3.801 3.492 3.997 . 0 0 "[ . 1 . 2]" 1
405 1 27 VAL MG1 1 32 SER HA 2.500 . 3.500 3.273 2.898 3.496 . 0 0 "[ . 1 . 2]" 1
406 1 27 VAL MG1 1 46 PHE QE 3.500 . 4.500 2.735 2.000 3.167 . 0 0 "[ . 1 . 2]" 1
407 1 27 VAL MG1 1 46 PHE HZ 3.500 . 4.500 3.311 2.674 4.035 . 0 0 "[ . 1 . 2]" 1
408 1 27 VAL MG1 1 53 PHE QE 5.000 2.500 6.000 4.040 3.789 4.282 . 0 0 "[ . 1 . 2]" 1
409 1 27 VAL MG2 1 28 CYS H 2.500 . 3.500 2.243 1.885 2.610 . 0 0 "[ . 1 . 2]" 1
410 1 27 VAL MG2 1 31 HIS HB2 2.500 . 3.500 2.179 1.947 2.359 . 0 0 "[ . 1 . 2]" 1
411 1 27 VAL MG2 1 31 HIS HB3 2.500 . 3.500 2.865 2.450 3.114 . 0 0 "[ . 1 . 2]" 1
412 1 27 VAL MG2 1 32 SER HA 2.500 . 3.500 2.742 1.967 3.166 . 0 0 "[ . 1 . 2]" 1
413 1 27 VAL MG2 1 46 PHE QD 3.500 . 4.500 3.413 2.698 4.065 . 0 0 "[ . 1 . 2]" 1
414 1 27 VAL MG2 1 46 PHE QE 3.500 . 4.500 4.148 3.547 4.502 0.002 4 0 "[ . 1 . 2]" 1
415 1 27 VAL MG2 1 53 PHE QD 3.500 . 4.500 4.354 3.743 4.504 0.004 18 0 "[ . 1 . 2]" 1
416 1 27 VAL MG2 1 53 PHE QE 2.500 . 3.500 2.810 2.499 2.993 . 0 0 "[ . 1 . 2]" 1
417 1 27 VAL MG2 1 53 PHE HZ 2.500 . 3.500 2.174 1.848 2.421 . 0 0 "[ . 1 . 2]" 1
418 1 28 CYS H 1 28 CYS QB 2.500 . 3.500 2.523 2.379 2.653 . 0 0 "[ . 1 . 2]" 1
419 1 28 CYS H 1 29 GLU H 3.500 . 4.500 4.480 4.423 4.526 0.026 12 0 "[ . 1 . 2]" 1
420 1 28 CYS H 1 31 HIS HB2 5.000 2.500 6.000 3.503 3.117 4.028 . 0 0 "[ . 1 . 2]" 1
421 1 28 CYS H 1 31 HIS HB3 5.000 2.500 6.000 5.134 4.737 5.662 . 0 0 "[ . 1 . 2]" 1
422 1 28 CYS HA 1 28 CYS HB2 2.000 . 2.800 2.406 2.378 2.451 . 0 0 "[ . 1 . 2]" 1
423 1 28 CYS HA 1 28 CYS QB 2.000 . 2.800 2.183 2.179 2.184 . 0 0 "[ . 1 . 2]" 1
424 1 28 CYS HA 1 28 CYS HB3 2.000 . 2.800 2.500 2.453 2.530 . 0 0 "[ . 1 . 2]" 1
425 1 28 CYS HA 1 29 GLU H 2.500 . 3.500 2.682 2.467 2.773 . 0 0 "[ . 1 . 2]" 1
426 1 28 CYS HA 1 30 ILE H 5.000 2.500 6.000 4.460 4.166 4.608 . 0 0 "[ . 1 . 2]" 1
427 1 28 CYS QB 1 29 GLU H 2.500 . 3.500 2.038 1.962 2.329 . 0 0 "[ . 1 . 2]" 1
428 1 28 CYS QB 1 30 ILE H 5.000 2.500 6.000 3.042 2.959 3.137 . 0 0 "[ . 1 . 2]" 1
429 1 29 GLU H 1 29 GLU HB2 2.500 . 3.500 2.468 2.163 3.558 0.058 10 0 "[ . 1 . 2]" 1
430 1 29 GLU H 1 29 GLU HB3 2.500 . 3.500 3.353 2.773 3.505 0.005 12 0 "[ . 1 . 2]" 1
431 1 29 GLU H 1 29 GLU QG 2.500 . 3.500 2.887 1.929 3.501 0.001 3 0 "[ . 1 . 2]" 1
432 1 29 GLU H 1 30 ILE H 2.500 . 3.500 2.458 2.283 2.693 . 0 0 "[ . 1 . 2]" 1
433 1 29 GLU HA 1 29 GLU QB 2.500 . 3.500 2.424 2.170 2.519 . 0 0 "[ . 1 . 2]" 1
434 1 29 GLU HA 1 29 GLU QG 2.500 . 3.500 2.437 2.092 3.321 . 0 0 "[ . 1 . 2]" 1
435 1 29 GLU HA 1 30 ILE H 5.000 2.500 6.000 3.459 3.181 3.509 . 0 0 "[ . 1 . 2]" 1
436 1 29 GLU HA 1 32 SER H 3.500 . 4.500 3.662 3.416 4.032 . 0 0 "[ . 1 . 2]" 1
437 1 29 GLU HA 1 32 SER QB 2.500 . 3.500 2.231 2.054 2.668 . 0 0 "[ . 1 . 2]" 1
438 1 29 GLU QB 1 30 ILE H 2.500 . 3.500 3.062 2.796 3.519 0.019 19 0 "[ . 1 . 2]" 1
439 1 30 ILE H 1 30 ILE HA 2.500 . 3.500 2.820 2.792 2.933 . 0 0 "[ . 1 . 2]" 1
440 1 30 ILE H 1 30 ILE HB 2.000 . 2.800 2.603 2.464 2.685 . 0 0 "[ . 1 . 2]" 1
441 1 30 ILE H 1 30 ILE MD 3.500 . 4.500 2.874 2.114 3.425 . 0 0 "[ . 1 . 2]" 1
442 1 30 ILE H 1 30 ILE QG 2.500 . 3.500 2.123 1.951 2.640 . 0 0 "[ . 1 . 2]" 1
443 1 30 ILE H 1 30 ILE MG 3.500 . 4.500 3.771 3.755 3.834 . 0 0 "[ . 1 . 2]" 1
444 1 30 ILE H 1 31 HIS H 2.500 . 3.500 2.908 2.539 3.096 . 0 0 "[ . 1 . 2]" 1
445 1 30 ILE H 1 32 SER H 3.500 . 4.500 3.717 3.101 4.292 . 0 0 "[ . 1 . 2]" 1
446 1 30 ILE HA 1 30 ILE HB 2.500 . 3.500 3.019 3.013 3.021 . 0 0 "[ . 1 . 2]" 1
447 1 30 ILE HA 1 30 ILE MD 2.500 . 3.500 2.267 1.960 3.568 0.068 14 0 "[ . 1 . 2]" 1
448 1 30 ILE HA 1 30 ILE QG 2.500 . 3.500 2.895 2.233 3.077 . 0 0 "[ . 1 . 2]" 1
449 1 30 ILE HA 1 30 ILE MG 2.000 . 2.800 2.370 2.209 2.454 . 0 0 "[ . 1 . 2]" 1
450 1 30 ILE HA 1 31 HIS H 3.500 . 4.500 3.563 3.544 3.572 . 0 0 "[ . 1 . 2]" 1
451 1 30 ILE HA 1 33 LYS H 3.500 . 4.500 4.180 3.901 4.512 0.012 4 0 "[ . 1 . 2]" 1
452 1 30 ILE HA 1 34 ALA MB 3.500 . 4.500 4.150 3.824 4.503 0.003 11 0 "[ . 1 . 2]" 1
453 1 30 ILE HB 1 30 ILE MD 2.500 . 3.500 3.068 2.184 3.230 . 0 0 "[ . 1 . 2]" 1
454 1 30 ILE HB 1 30 ILE QG 2.500 . 3.500 2.240 2.186 2.537 . 0 0 "[ . 1 . 2]" 1
455 1 30 ILE HB 1 31 HIS H 2.500 . 3.500 2.114 1.952 2.583 . 0 0 "[ . 1 . 2]" 1
456 1 30 ILE HB 1 31 HIS HE1 5.000 2.500 6.000 4.552 4.344 4.824 . 0 0 "[ . 1 . 2]" 1
457 1 30 ILE MD 1 30 ILE MG 2.000 . 2.800 2.111 1.835 2.863 0.063 14 0 "[ . 1 . 2]" 1
458 1 30 ILE MD 1 31 HIS H 5.000 2.500 6.000 4.365 3.714 4.635 . 0 0 "[ . 1 . 2]" 1
459 1 30 ILE QG 1 30 ILE MG 2.500 . 3.500 2.259 2.069 2.352 . 0 0 "[ . 1 . 2]" 1
460 1 30 ILE MG 1 31 HIS H 3.500 . 4.500 3.063 2.547 3.472 . 0 0 "[ . 1 . 2]" 1
461 1 30 ILE MG 1 31 HIS HA 2.500 . 3.500 3.377 2.996 3.524 0.024 7 0 "[ . 1 . 2]" 1
462 1 30 ILE MG 1 31 HIS HD2 3.500 . 4.500 4.257 3.963 4.502 0.002 9 0 "[ . 1 . 2]" 1
463 1 30 ILE MG 1 31 HIS HE1 3.500 . 4.500 4.388 4.078 4.508 0.008 2 0 "[ . 1 . 2]" 1
464 1 30 ILE MG 1 34 ALA MB 2.500 . 3.500 2.848 2.407 3.298 . 0 0 "[ . 1 . 2]" 1
465 1 31 HIS H 1 31 HIS HB2 2.500 . 3.500 2.430 2.383 2.471 . 0 0 "[ . 1 . 2]" 1
466 1 31 HIS H 1 31 HIS HB3 3.500 . 4.500 3.594 3.576 3.637 . 0 0 "[ . 1 . 2]" 1
467 1 31 HIS H 1 31 HIS HD2 5.000 2.500 6.000 4.557 4.396 4.857 . 0 0 "[ . 1 . 2]" 1
468 1 31 HIS H 1 32 SER H 2.500 . 3.500 2.693 2.586 2.929 . 0 0 "[ . 1 . 2]" 1
469 1 31 HIS HA 1 31 HIS HB2 2.500 . 3.500 3.021 3.017 3.027 . 0 0 "[ . 1 . 2]" 1
470 1 31 HIS HA 1 31 HIS HB3 2.500 . 3.500 2.517 2.494 2.543 . 0 0 "[ . 1 . 2]" 1
471 1 31 HIS HA 1 31 HIS HD2 2.500 . 3.500 2.880 2.839 2.913 . 0 0 "[ . 1 . 2]" 1
472 1 31 HIS HA 1 32 SER H 3.500 . 4.500 3.346 2.881 3.484 . 0 0 "[ . 1 . 2]" 1
473 1 31 HIS HA 1 33 LYS H 3.500 . 4.500 3.847 3.606 4.449 . 0 0 "[ . 1 . 2]" 1
474 1 31 HIS HB2 1 31 HIS HD2 3.500 . 4.500 3.962 3.957 3.965 . 0 0 "[ . 1 . 2]" 1
475 1 31 HIS HB2 1 32 SER H 5.000 2.500 6.000 3.309 2.949 4.165 . 0 0 "[ . 1 . 2]" 1
476 1 31 HIS HB2 1 53 PHE HZ 3.500 . 4.500 3.030 2.526 3.454 . 0 0 "[ . 1 . 2]" 1
477 1 31 HIS HB3 1 31 HIS HD2 3.500 . 4.500 2.970 2.951 2.990 . 0 0 "[ . 1 . 2]" 1
478 1 31 HIS HB3 1 53 PHE QE 3.500 . 4.500 2.999 2.519 3.634 . 0 0 "[ . 1 . 2]" 1
479 1 31 HIS HB3 1 53 PHE HZ 3.500 . 4.500 2.419 2.142 2.938 . 0 0 "[ . 1 . 2]" 1
480 1 31 HIS HD2 1 34 ALA MB 2.500 . 3.500 3.114 2.800 3.421 . 0 0 "[ . 1 . 2]" 1
481 1 31 HIS HD2 1 37 ALA HA 3.500 . 4.500 2.661 2.124 3.196 . 0 0 "[ . 1 . 2]" 1
482 1 31 HIS HD2 1 37 ALA MB 2.500 . 3.500 2.146 1.906 2.458 . 0 0 "[ . 1 . 2]" 1
483 1 31 HIS HD2 1 53 PHE HZ 5.000 2.500 6.000 4.869 4.469 5.427 . 0 0 "[ . 1 . 2]" 1
484 1 32 SER H 1 32 SER HA 2.500 . 3.500 2.813 2.762 2.943 . 0 0 "[ . 1 . 2]" 1
485 1 32 SER H 1 33 LYS H 3.500 . 4.500 2.597 1.997 2.928 0.003 6 0 "[ . 1 . 2]" 1
486 1 32 SER H 1 34 ALA H 5.000 2.500 6.000 4.017 3.441 4.288 . 0 0 "[ . 1 . 2]" 1
487 1 32 SER HA 1 33 LYS H 2.500 . 3.500 3.495 3.464 3.551 0.051 18 0 "[ . 1 . 2]" 1
488 1 32 SER HA 1 46 PHE HB2 3.500 . 4.500 3.410 2.568 4.162 . 0 0 "[ . 1 . 2]" 1
489 1 32 SER HA 1 46 PHE HB3 3.500 . 4.500 2.840 2.379 3.438 . 0 0 "[ . 1 . 2]" 1
490 1 32 SER HA 1 46 PHE QD 2.500 . 3.500 2.820 2.134 3.198 . 0 0 "[ . 1 . 2]" 1
491 1 32 SER HA 1 46 PHE QE 3.500 . 4.500 4.044 3.638 4.437 . 0 0 "[ . 1 . 2]" 1
492 1 33 LYS H 1 33 LYS HA 2.500 . 3.500 2.933 2.909 2.946 . 0 0 "[ . 1 . 2]" 1
493 1 33 LYS H 1 33 LYS QB 2.000 . 2.800 2.615 2.318 2.814 0.014 18 0 "[ . 1 . 2]" 1
494 1 33 LYS H 1 33 LYS QE 5.000 2.500 6.000 5.245 4.108 5.932 . 0 0 "[ . 1 . 2]" 1
495 1 33 LYS H 1 33 LYS HG2 3.500 . 4.500 4.134 2.987 4.522 0.022 1 0 "[ . 1 . 2]" 1
496 1 33 LYS H 1 33 LYS QG 3.500 . 4.500 3.416 2.307 4.030 . 0 0 "[ . 1 . 2]" 1
497 1 33 LYS H 1 33 LYS HG3 3.500 . 4.500 3.708 2.401 4.525 0.025 1 0 "[ . 1 . 2]" 1
498 1 33 LYS H 1 34 ALA H 2.000 . 2.800 2.415 1.965 2.802 0.002 18 0 "[ . 1 . 2]" 1
499 1 33 LYS HA 1 33 LYS HB2 2.500 . 3.500 2.925 2.398 3.023 . 0 0 "[ . 1 . 2]" 1
500 1 33 LYS HA 1 33 LYS QB 2.000 . 2.800 2.429 2.176 2.537 . 0 0 "[ . 1 . 2]" 1
501 1 33 LYS HA 1 33 LYS HB3 2.500 . 3.500 2.626 2.408 3.024 . 0 0 "[ . 1 . 2]" 1
502 1 33 LYS HA 1 33 LYS QG 3.500 . 4.500 2.299 2.026 3.346 . 0 0 "[ . 1 . 2]" 1
503 1 33 LYS HA 1 33 LYS HG3 2.500 . 3.500 3.105 2.409 3.548 0.048 18 0 "[ . 1 . 2]" 1
504 1 33 LYS HA 1 34 ALA H 3.500 . 4.500 2.902 2.808 3.444 . 0 0 "[ . 1 . 2]" 1
505 1 34 ALA H 1 34 ALA HA 2.500 . 3.500 2.913 2.765 2.942 . 0 0 "[ . 1 . 2]" 1
506 1 34 ALA H 1 34 ALA MB 2.000 . 2.800 2.297 2.111 2.405 . 0 0 "[ . 1 . 2]" 1
507 1 34 ALA HA 1 34 ALA MB 2.000 . 2.800 2.120 2.100 2.129 . 0 0 "[ . 1 . 2]" 1
508 1 34 ALA HA 1 35 THR H 2.500 . 3.500 2.523 2.238 2.692 . 0 0 "[ . 1 . 2]" 1
509 1 34 ALA HA 1 36 THR H 5.000 2.500 6.000 4.498 4.029 4.964 . 0 0 "[ . 1 . 2]" 1
510 1 34 ALA MB 1 35 THR H 2.500 . 3.500 2.226 1.952 2.769 . 0 0 "[ . 1 . 2]" 1
511 1 34 ALA MB 1 36 THR H 2.500 . 3.500 2.862 2.332 3.502 0.002 5 0 "[ . 1 . 2]" 1
512 1 34 ALA MB 1 37 ALA MB 2.500 . 3.500 3.389 2.986 3.507 0.007 20 0 "[ . 1 . 2]" 1
513 1 35 THR H 1 35 THR HB 3.500 . 4.500 3.380 2.728 3.730 . 0 0 "[ . 1 . 2]" 1
514 1 35 THR H 1 35 THR MG 3.500 . 4.500 3.176 2.324 3.867 . 0 0 "[ . 1 . 2]" 1
515 1 35 THR H 1 36 THR H 3.500 . 4.500 2.300 2.007 2.831 . 0 0 "[ . 1 . 2]" 1
516 1 35 THR HA 1 35 THR HB 2.500 . 3.500 2.706 2.419 3.015 . 0 0 "[ . 1 . 2]" 1
517 1 35 THR HA 1 35 THR MG 2.500 . 3.500 2.181 2.007 2.449 . 0 0 "[ . 1 . 2]" 1
518 1 35 THR HA 1 36 THR H 5.000 2.500 6.000 3.498 3.007 3.571 . 0 0 "[ . 1 . 2]" 1
519 1 35 THR HA 1 45 ARG QG 3.500 . 4.500 3.060 2.039 4.363 . 0 0 "[ . 1 . 2]" 1
520 1 35 THR HB 1 36 THR H 3.500 . 4.500 3.259 2.205 4.394 . 0 0 "[ . 1 . 2]" 1
521 1 35 THR HB 1 36 THR MG 3.500 . 4.500 3.298 2.462 3.972 . 0 0 "[ . 1 . 2]" 1
522 1 35 THR MG 1 36 THR H 3.500 . 4.500 4.003 3.536 4.370 . 0 0 "[ . 1 . 2]" 1
523 1 36 THR H 1 36 THR HB 5.000 2.500 6.000 3.714 3.568 3.884 . 0 0 "[ . 1 . 2]" 1
524 1 36 THR H 1 36 THR MG 3.500 . 4.500 3.301 2.925 3.775 . 0 0 "[ . 1 . 2]" 1
525 1 36 THR HA 1 36 THR HB 2.000 . 2.800 2.610 2.442 2.722 . 0 0 "[ . 1 . 2]" 1
526 1 36 THR HA 1 36 THR MG 2.500 . 3.500 2.130 2.008 2.349 . 0 0 "[ . 1 . 2]" 1
527 1 36 THR HA 1 37 ALA H 2.500 . 3.500 2.258 2.141 2.547 . 0 0 "[ . 1 . 2]" 1
528 1 36 THR HA 1 56 LEU QD 3.500 . 4.500 2.866 2.366 3.555 . 0 0 "[ . 1 . 2]" 1
529 1 36 THR HB 1 36 THR MG 2.000 . 2.800 2.112 2.092 2.134 . 0 0 "[ . 1 . 2]" 1
530 1 36 THR HB 1 37 ALA H 3.500 . 4.500 2.943 2.115 3.758 . 0 0 "[ . 1 . 2]" 1
531 1 36 THR HB 1 43 MET ME 3.500 . 4.500 3.024 2.170 4.134 . 0 0 "[ . 1 . 2]" 1
532 1 36 THR HB 1 56 LEU QD 3.500 . 4.500 3.932 3.055 4.502 0.002 5 0 "[ . 1 . 2]" 1
533 1 36 THR MG 1 43 MET HB3 3.500 . 4.500 3.383 2.636 3.944 . 0 0 "[ . 1 . 2]" 1
534 1 36 THR MG 1 43 MET ME 3.500 . 4.500 3.485 2.617 4.044 . 0 0 "[ . 1 . 2]" 1
535 1 36 THR MG 1 43 MET QG 3.500 . 4.500 3.783 2.818 4.428 . 0 0 "[ . 1 . 2]" 1
536 1 36 THR MG 1 56 LEU MD1 2.500 . 3.500 2.743 2.057 3.330 . 0 0 "[ . 1 . 2]" 1
537 1 36 THR MG 1 56 LEU MD2 2.500 . 3.500 2.750 2.108 3.501 0.001 9 0 "[ . 1 . 2]" 1
538 1 37 ALA H 1 37 ALA MB 2.500 . 3.500 2.713 2.372 2.886 . 0 0 "[ . 1 . 2]" 1
539 1 37 ALA H 1 43 MET HA 5.000 2.500 6.000 3.643 2.986 4.108 . 0 0 "[ . 1 . 2]" 1
540 1 37 ALA H 1 44 GLN H 3.500 . 4.500 2.452 1.997 3.072 0.003 19 0 "[ . 1 . 2]" 1
541 1 37 ALA HA 1 37 ALA MB 2.000 . 2.800 2.118 2.097 2.129 . 0 0 "[ . 1 . 2]" 1
542 1 37 ALA HA 1 38 LEU H 2.000 . 2.800 2.232 2.141 2.717 . 0 0 "[ . 1 . 2]" 1
543 1 37 ALA MB 1 38 LEU H 2.500 . 3.500 2.917 1.956 3.397 . 0 0 "[ . 1 . 2]" 1
544 1 37 ALA MB 1 39 VAL MG2 2.500 . 3.500 2.644 2.429 2.846 . 0 0 "[ . 1 . 2]" 1
545 1 37 ALA MB 1 44 GLN H 5.000 2.500 6.000 3.288 2.607 3.589 . 0 0 "[ . 1 . 2]" 1
546 1 37 ALA MB 1 53 PHE QD 3.500 . 4.500 3.711 3.361 4.273 . 0 0 "[ . 1 . 2]" 1
547 1 37 ALA MB 1 53 PHE QE 2.500 . 3.500 2.603 2.282 2.944 . 0 0 "[ . 1 . 2]" 1
548 1 37 ALA MB 1 53 PHE HZ 3.500 . 4.500 3.348 3.037 3.752 . 0 0 "[ . 1 . 2]" 1
549 1 38 LEU H 1 38 LEU HA 2.500 . 3.500 2.911 2.858 2.949 . 0 0 "[ . 1 . 2]" 1
550 1 38 LEU H 1 38 LEU QB 2.000 . 2.800 2.325 2.140 2.767 . 0 0 "[ . 1 . 2]" 1
551 1 38 LEU H 1 38 LEU MD1 3.500 . 4.500 4.213 4.177 4.334 . 0 0 "[ . 1 . 2]" 1
552 1 38 LEU H 1 38 LEU MD2 3.500 . 4.500 3.848 3.547 4.259 . 0 0 "[ . 1 . 2]" 1
553 1 38 LEU H 1 39 VAL H 3.500 . 4.500 4.214 3.600 4.480 . 0 0 "[ . 1 . 2]" 1
554 1 38 LEU HA 1 38 LEU HB2 2.500 . 3.500 2.650 2.610 2.744 . 0 0 "[ . 1 . 2]" 1
555 1 38 LEU HA 1 38 LEU QB 2.000 . 2.800 2.477 2.457 2.519 . 0 0 "[ . 1 . 2]" 1
556 1 38 LEU HA 1 38 LEU HB3 2.500 . 3.500 2.978 2.933 2.996 . 0 0 "[ . 1 . 2]" 1
557 1 38 LEU HA 1 38 LEU MD1 2.500 . 3.500 2.452 2.203 2.611 . 0 0 "[ . 1 . 2]" 1
558 1 38 LEU HA 1 38 LEU QD 2.500 . 3.500 1.957 1.869 2.086 . 0 0 "[ . 1 . 2]" 1
559 1 38 LEU HA 1 38 LEU MD2 2.500 . 3.500 2.069 1.939 2.264 . 0 0 "[ . 1 . 2]" 1
560 1 38 LEU HA 1 39 VAL H 2.000 . 2.800 2.177 2.144 2.279 . 0 0 "[ . 1 . 2]" 1
561 1 38 LEU HA 1 39 VAL MG2 3.500 . 4.500 3.692 3.421 3.885 . 0 0 "[ . 1 . 2]" 1
562 1 38 LEU HA 1 43 MET HA 2.000 . 2.800 2.710 2.488 2.804 0.004 4 0 "[ . 1 . 2]" 1
563 1 38 LEU HA 1 43 MET ME 3.500 . 4.500 3.761 2.580 4.501 0.001 10 0 "[ . 1 . 2]" 1
564 1 38 LEU HA 1 44 GLN H 3.500 . 4.500 4.099 3.297 4.499 . 0 0 "[ . 1 . 2]" 1
565 1 38 LEU QB 1 38 LEU QD 2.000 . 2.800 2.015 1.972 2.078 . 0 0 "[ . 1 . 2]" 1
566 1 38 LEU QD 1 39 VAL H 3.500 . 4.500 2.565 2.159 3.027 . 0 0 "[ . 1 . 2]" 1
567 1 38 LEU QD 1 41 GLY H 5.000 2.500 6.000 2.533 2.490 2.693 0.010 1 0 "[ . 1 . 2]" 1
568 1 38 LEU QD 1 42 ILE HA 5.000 2.500 6.000 3.338 2.996 3.632 . 0 0 "[ . 1 . 2]" 1
569 1 38 LEU QD 1 43 MET H 3.500 . 4.500 3.471 3.039 3.783 . 0 0 "[ . 1 . 2]" 1
570 1 38 LEU QD 1 43 MET ME 2.500 . 3.500 2.185 2.014 2.649 . 0 0 "[ . 1 . 2]" 1
571 1 38 LEU QD 1 43 MET QG 2.500 . 3.500 2.187 1.992 2.544 . 0 0 "[ . 1 . 2]" 1
572 1 38 LEU QD 1 44 GLN H 5.000 2.500 6.000 4.496 3.724 4.910 . 0 0 "[ . 1 . 2]" 1
573 1 38 LEU MD1 1 39 VAL H 3.500 . 4.500 2.644 2.188 3.154 . 0 0 "[ . 1 . 2]" 1
574 1 38 LEU MD1 1 41 GLY H 5.000 2.500 6.000 2.551 2.505 2.728 . 0 0 "[ . 1 . 2]" 1
575 1 38 LEU MD1 1 41 GLY QA 3.500 . 4.500 2.271 2.017 2.542 . 0 0 "[ . 1 . 2]" 1
576 1 38 LEU MD1 1 42 ILE H 3.500 . 4.500 2.969 2.036 3.696 . 0 0 "[ . 1 . 2]" 1
577 1 38 LEU MD1 1 43 MET HA 3.500 . 4.500 4.179 3.800 4.454 . 0 0 "[ . 1 . 2]" 1
578 1 38 LEU MD1 1 43 MET ME 3.500 . 4.500 4.356 3.947 4.502 0.002 3 0 "[ . 1 . 2]" 1
579 1 38 LEU MD1 1 43 MET QG 3.500 . 4.500 4.225 3.863 4.504 0.004 3 0 "[ . 1 . 2]" 1
580 1 38 LEU MD2 1 39 VAL H 3.500 . 4.500 3.536 3.199 3.902 . 0 0 "[ . 1 . 2]" 1
581 1 38 LEU MD2 1 41 GLY H 5.000 2.500 6.000 4.371 3.945 4.799 . 0 0 "[ . 1 . 2]" 1
582 1 38 LEU MD2 1 41 GLY QA 3.500 . 4.500 3.654 3.247 4.082 . 0 0 "[ . 1 . 2]" 1
583 1 38 LEU MD2 1 42 ILE H 3.500 . 4.500 3.950 3.160 4.483 . 0 0 "[ . 1 . 2]" 1
584 1 38 LEU MD2 1 43 MET HA 3.500 . 4.500 2.926 2.349 3.402 . 0 0 "[ . 1 . 2]" 1
585 1 38 LEU MD2 1 43 MET ME 3.500 . 4.500 2.192 2.018 2.669 . 0 0 "[ . 1 . 2]" 1
586 1 38 LEU MD2 1 43 MET QG 3.500 . 4.500 2.194 1.997 2.558 0.003 17 0 "[ . 1 . 2]" 1
587 1 38 LEU HG 1 43 MET ME 3.500 . 4.500 4.098 3.447 4.412 . 0 0 "[ . 1 . 2]" 1
588 1 39 VAL H 1 39 VAL HB 2.500 . 3.500 2.827 2.685 3.019 . 0 0 "[ . 1 . 2]" 1
589 1 39 VAL H 1 39 VAL MG1 3.500 . 4.500 3.931 3.873 4.003 . 0 0 "[ . 1 . 2]" 1
590 1 39 VAL H 1 39 VAL MG2 3.500 . 4.500 2.724 2.536 2.925 . 0 0 "[ . 1 . 2]" 1
591 1 39 VAL H 1 41 GLY H 3.500 . 4.500 3.777 3.123 4.406 . 0 0 "[ . 1 . 2]" 1
592 1 39 VAL H 1 42 ILE H 3.500 . 4.500 3.561 2.786 4.436 . 0 0 "[ . 1 . 2]" 1
593 1 39 VAL H 1 43 MET HA 3.500 . 4.500 3.523 3.237 3.750 . 0 0 "[ . 1 . 2]" 1
594 1 39 VAL H 1 44 GLN QE 5.000 2.500 6.000 3.315 2.496 4.051 0.004 5 0 "[ . 1 . 2]" 1
595 1 39 VAL H 1 44 GLN QG 3.500 . 4.500 3.361 2.681 4.446 . 0 0 "[ . 1 . 2]" 1
596 1 39 VAL HA 1 39 VAL HB 2.500 . 3.500 3.017 3.009 3.021 . 0 0 "[ . 1 . 2]" 1
597 1 39 VAL HA 1 39 VAL MG1 2.000 . 2.800 2.272 2.138 2.374 . 0 0 "[ . 1 . 2]" 1
598 1 39 VAL HA 1 39 VAL MG2 2.500 . 3.500 2.469 2.352 2.569 . 0 0 "[ . 1 . 2]" 1
599 1 39 VAL HA 1 40 GLY H 2.000 . 2.800 2.174 2.146 2.248 . 0 0 "[ . 1 . 2]" 1
600 1 39 VAL HA 1 41 GLY H 3.500 . 4.500 3.958 3.533 4.297 . 0 0 "[ . 1 . 2]" 1
601 1 39 VAL HB 1 39 VAL MG1 2.000 . 2.800 2.109 2.090 2.128 . 0 0 "[ . 1 . 2]" 1
602 1 39 VAL HB 1 39 VAL MG2 2.000 . 2.800 2.109 2.091 2.128 . 0 0 "[ . 1 . 2]" 1
603 1 39 VAL HB 1 44 GLN QE 2.500 . 3.500 2.438 2.037 2.930 . 0 0 "[ . 1 . 2]" 1
604 1 39 VAL HB 1 44 GLN QG 2.500 . 3.500 3.058 2.451 3.469 . 0 0 "[ . 1 . 2]" 1
605 1 39 VAL MG1 1 39 VAL MG2 2.000 . 2.800 2.039 1.954 2.094 . 0 0 "[ . 1 . 2]" 1
606 1 39 VAL MG1 1 40 GLY H 3.500 . 4.500 2.864 2.156 3.466 . 0 0 "[ . 1 . 2]" 1
607 1 39 VAL MG1 1 44 GLN QE 2.500 . 3.500 3.384 2.586 3.506 0.006 5 0 "[ . 1 . 2]" 1
608 1 39 VAL MG1 1 53 PHE QD 3.500 . 4.500 3.282 2.696 3.846 . 0 0 "[ . 1 . 2]" 1
609 1 39 VAL MG1 1 53 PHE QE 5.000 2.500 6.000 3.803 3.184 4.373 . 0 0 "[ . 1 . 2]" 1
610 1 39 VAL MG2 1 40 GLY H 5.000 2.500 6.000 4.216 4.083 4.362 . 0 0 "[ . 1 . 2]" 1
611 1 39 VAL MG2 1 44 GLN H 5.000 2.500 6.000 4.412 3.691 5.175 . 0 0 "[ . 1 . 2]" 1
612 1 39 VAL MG2 1 44 GLN QB 3.500 . 4.500 4.258 3.801 4.507 0.007 5 0 "[ . 1 . 2]" 1
613 1 39 VAL MG2 1 44 GLN QE 5.000 2.500 6.000 3.492 3.042 3.991 . 0 0 "[ . 1 . 2]" 1
614 1 39 VAL MG2 1 44 GLN HG2 3.500 . 4.500 2.898 2.442 3.348 . 0 0 "[ . 1 . 2]" 1
615 1 39 VAL MG2 1 44 GLN QG 3.500 . 4.500 2.532 2.089 2.973 . 0 0 "[ . 1 . 2]" 1
616 1 39 VAL MG2 1 44 GLN HG3 3.500 . 4.500 2.817 2.269 3.326 . 0 0 "[ . 1 . 2]" 1
617 1 39 VAL MG2 1 53 PHE QD 3.500 . 4.500 3.184 2.588 3.583 . 0 0 "[ . 1 . 2]" 1
618 1 39 VAL MG2 1 53 PHE QE 3.500 . 4.500 3.038 2.707 3.400 . 0 0 "[ . 1 . 2]" 1
619 1 40 GLY H 1 40 GLY QA 2.000 . 2.800 2.232 2.194 2.269 . 0 0 "[ . 1 . 2]" 1
620 1 40 GLY H 1 41 GLY H 2.500 . 3.500 2.959 2.520 3.352 . 0 0 "[ . 1 . 2]" 1
621 1 40 GLY QA 1 41 GLY H 2.500 . 3.500 2.720 2.619 2.818 . 0 0 "[ . 1 . 2]" 1
622 1 41 GLY H 1 41 GLY QA 2.000 . 2.800 2.352 2.199 2.502 . 0 0 "[ . 1 . 2]" 1
623 1 41 GLY H 1 42 ILE H 2.500 . 3.500 2.296 1.959 2.655 . 0 0 "[ . 1 . 2]" 1
624 1 41 GLY HA2 1 42 ILE H 3.500 . 4.500 3.263 2.939 3.520 . 0 0 "[ . 1 . 2]" 1
625 1 41 GLY HA3 1 42 ILE H 3.500 . 4.500 3.193 2.884 3.500 . 0 0 "[ . 1 . 2]" 1
626 1 42 ILE H 1 42 ILE HA 2.500 . 3.500 2.925 2.905 2.945 . 0 0 "[ . 1 . 2]" 1
627 1 42 ILE H 1 42 ILE HB 2.500 . 3.500 2.800 2.588 3.008 . 0 0 "[ . 1 . 2]" 1
628 1 42 ILE H 1 42 ILE MD 3.500 . 4.500 3.777 2.944 4.353 . 0 0 "[ . 1 . 2]" 1
629 1 42 ILE H 1 42 ILE QG 2.500 . 3.500 2.654 2.280 2.934 . 0 0 "[ . 1 . 2]" 1
630 1 42 ILE H 1 42 ILE MG 3.500 . 4.500 3.910 3.810 3.994 . 0 0 "[ . 1 . 2]" 1
631 1 42 ILE H 1 43 MET H 3.500 . 4.500 4.424 4.217 4.531 0.031 6 0 "[ . 1 . 2]" 1
632 1 42 ILE HA 1 42 ILE HB 2.500 . 3.500 3.017 3.015 3.019 . 0 0 "[ . 1 . 2]" 1
633 1 42 ILE HA 1 42 ILE MD 3.500 . 4.500 3.888 3.842 3.931 . 0 0 "[ . 1 . 2]" 1
634 1 42 ILE HA 1 42 ILE QG 3.500 . 4.500 2.513 2.483 2.545 . 0 0 "[ . 1 . 2]" 1
635 1 42 ILE HA 1 42 ILE MG 2.500 . 3.500 2.255 2.191 2.387 . 0 0 "[ . 1 . 2]" 1
636 1 42 ILE HA 1 43 MET H 2.000 . 2.800 2.249 2.166 2.357 . 0 0 "[ . 1 . 2]" 1
637 1 42 ILE HB 1 42 ILE MD 2.000 . 2.800 2.320 2.041 2.492 . 0 0 "[ . 1 . 2]" 1
638 1 42 ILE HB 1 42 ILE QG 2.000 . 2.800 2.423 2.346 2.527 . 0 0 "[ . 1 . 2]" 1
639 1 42 ILE HB 1 43 MET H 3.500 . 4.500 3.804 3.536 4.054 . 0 0 "[ . 1 . 2]" 1
640 1 42 ILE HB 1 44 GLN QE 3.500 . 4.500 3.156 2.238 3.699 . 0 0 "[ . 1 . 2]" 1
641 1 42 ILE MD 1 42 ILE MG 2.000 . 2.800 2.121 1.682 2.703 . 0 0 "[ . 1 . 2]" 1
642 1 42 ILE MD 1 44 GLN QE 5.000 2.500 6.000 4.188 3.572 4.819 . 0 0 "[ . 1 . 2]" 1
643 1 42 ILE MD 1 55 VAL QG 2.500 . 3.500 3.355 2.880 3.504 0.004 4 0 "[ . 1 . 2]" 1
644 1 42 ILE QG 1 42 ILE MG 2.500 . 3.500 2.249 1.998 2.389 . 0 0 "[ . 1 . 2]" 1
645 1 42 ILE QG 1 43 MET H 5.000 2.500 6.000 4.137 4.006 4.247 . 0 0 "[ . 1 . 2]" 1
646 1 42 ILE QG 1 44 GLN QE 5.000 2.500 6.000 4.728 3.857 5.306 . 0 0 "[ . 1 . 2]" 1
647 1 42 ILE MG 1 43 MET H 2.500 . 3.500 2.140 1.906 2.537 . 0 0 "[ . 1 . 2]" 1
648 1 42 ILE MG 1 44 GLN H 5.000 2.500 6.000 4.940 4.679 5.164 . 0 0 "[ . 1 . 2]" 1
649 1 42 ILE MG 1 44 GLN QB 3.500 . 4.500 3.997 3.551 4.382 . 0 0 "[ . 1 . 2]" 1
650 1 42 ILE MG 1 44 GLN QE 3.500 . 4.500 3.702 2.815 4.504 0.004 6 0 "[ . 1 . 2]" 1
651 1 43 MET H 1 43 MET HB2 2.500 . 3.500 2.296 2.137 2.504 . 0 0 "[ . 1 . 2]" 1
652 1 43 MET H 1 43 MET HB3 3.500 . 4.500 3.532 3.433 3.595 . 0 0 "[ . 1 . 2]" 1
653 1 43 MET H 1 43 MET QG 2.500 . 3.500 2.858 2.372 3.502 0.002 10 0 "[ . 1 . 2]" 1
654 1 43 MET HA 1 43 MET HB3 2.500 . 3.500 2.606 2.464 2.721 . 0 0 "[ . 1 . 2]" 1
655 1 43 MET HA 1 43 MET ME 3.500 . 4.500 3.732 2.825 4.331 . 0 0 "[ . 1 . 2]" 1
656 1 43 MET HA 1 43 MET QG 2.500 . 3.500 2.345 2.050 2.680 . 0 0 "[ . 1 . 2]" 1
657 1 43 MET HA 1 44 GLN H 2.500 . 3.500 2.272 2.139 2.457 . 0 0 "[ . 1 . 2]" 1
658 1 43 MET HB2 1 43 MET QG 2.000 . 2.800 2.230 2.129 2.518 . 0 0 "[ . 1 . 2]" 1
659 1 43 MET HB2 1 44 GLN H 3.500 . 4.500 4.057 3.690 4.453 . 0 0 "[ . 1 . 2]" 1
660 1 43 MET HB2 1 56 LEU QD 3.500 . 4.500 2.540 1.998 3.486 0.002 5 0 "[ . 1 . 2]" 1
661 1 43 MET HB3 1 43 MET QG 2.500 . 3.500 2.402 2.128 2.525 . 0 0 "[ . 1 . 2]" 1
662 1 43 MET HB3 1 44 GLN H 3.500 . 4.500 2.877 2.388 3.551 . 0 0 "[ . 1 . 2]" 1
663 1 43 MET HB3 1 56 LEU MD1 2.500 . 3.500 2.375 1.867 3.505 0.005 1 0 "[ . 1 . 2]" 1
664 1 43 MET HB3 1 56 LEU QD 2.500 . 3.500 2.051 1.824 2.506 . 0 0 "[ . 1 . 2]" 1
665 1 43 MET HB3 1 56 LEU MD2 2.500 . 3.500 3.033 1.830 3.502 0.002 14 0 "[ . 1 . 2]" 1
666 1 43 MET ME 1 43 MET QG 2.500 . 3.500 2.150 1.973 2.231 . 0 0 "[ . 1 . 2]" 1
667 1 43 MET ME 1 56 LEU QD 3.500 . 4.500 4.323 3.729 4.505 0.005 3 0 "[ . 1 . 2]" 1
668 1 43 MET QG 1 56 LEU QD 2.500 . 3.500 3.386 3.087 3.503 0.003 4 0 "[ . 1 . 2]" 1
669 1 44 GLN H 1 44 GLN HA 5.000 2.500 6.000 2.868 2.801 2.925 . 0 0 "[ . 1 . 2]" 1
670 1 44 GLN H 1 44 GLN QB 3.500 . 4.500 3.315 3.211 3.404 . 0 0 "[ . 1 . 2]" 1
671 1 44 GLN H 1 44 GLN QG 3.500 . 4.500 2.341 2.016 2.728 . 0 0 "[ . 1 . 2]" 1
672 1 44 GLN HA 1 44 GLN QB 3.500 . 4.500 2.175 2.171 2.180 . 0 0 "[ . 1 . 2]" 1
673 1 44 GLN HA 1 44 GLN HG2 3.500 . 4.500 3.572 3.534 3.657 . 0 0 "[ . 1 . 2]" 1
674 1 44 GLN HA 1 44 GLN HG3 3.500 . 4.500 4.018 3.840 4.206 . 0 0 "[ . 1 . 2]" 1
675 1 44 GLN HA 1 45 ARG H 2.500 . 3.500 2.567 2.463 2.618 . 0 0 "[ . 1 . 2]" 1
676 1 44 GLN HA 1 53 PHE QD 5.000 2.500 6.000 5.293 4.858 5.592 . 0 0 "[ . 1 . 2]" 1
677 1 44 GLN HA 1 55 VAL HA 2.500 . 3.500 2.719 2.198 3.258 . 0 0 "[ . 1 . 2]" 1
678 1 44 GLN HA 1 55 VAL QG 5.000 2.500 6.000 4.011 3.241 4.409 . 0 0 "[ . 1 . 2]" 1
679 1 44 GLN HA 1 56 LEU H 3.500 . 4.500 2.878 2.148 3.433 . 0 0 "[ . 1 . 2]" 1
680 1 44 GLN HA 1 56 LEU QB 3.500 . 4.500 3.612 2.090 4.406 . 0 0 "[ . 1 . 2]" 1
681 1 44 GLN HA 1 56 LEU QD 3.500 . 4.500 2.372 1.997 2.884 0.003 16 0 "[ . 1 . 2]" 1
682 1 44 GLN QB 1 44 GLN QE 3.500 . 4.500 2.460 1.999 3.196 0.001 19 0 "[ . 1 . 2]" 1
683 1 44 GLN QB 1 44 GLN QG 2.000 . 2.800 2.050 2.018 2.083 . 0 0 "[ . 1 . 2]" 1
684 1 44 GLN QB 1 45 ARG H 2.500 . 3.500 2.062 1.970 2.265 . 0 0 "[ . 1 . 2]" 1
685 1 44 GLN QB 1 53 PHE HB3 3.500 . 4.500 3.372 2.437 3.683 . 0 0 "[ . 1 . 2]" 1
686 1 44 GLN QB 1 53 PHE QD 2.500 . 3.500 3.221 2.766 3.417 . 0 0 "[ . 1 . 2]" 1
687 1 44 GLN QB 1 55 VAL HA 2.500 . 3.500 2.020 1.942 2.234 . 0 0 "[ . 1 . 2]" 1
688 1 44 GLN QB 1 55 VAL MG1 3.500 . 4.500 3.411 2.876 4.462 . 0 0 "[ . 1 . 2]" 1
689 1 44 GLN QB 1 55 VAL QG 2.500 . 3.500 3.079 2.524 3.502 0.002 17 0 "[ . 1 . 2]" 1
690 1 44 GLN QB 1 55 VAL MG2 3.500 . 4.500 4.031 2.633 4.500 . 7 0 "[ . 1 . 2]" 1
691 1 44 GLN QE 1 44 GLN QG 3.500 . 4.500 2.316 2.070 2.506 . 0 0 "[ . 1 . 2]" 1
692 1 44 GLN QE 1 55 VAL QG 3.500 . 4.500 3.625 2.998 4.228 . 0 0 "[ . 1 . 2]" 1
693 1 44 GLN QG 1 45 ARG H 2.500 . 3.500 3.476 3.267 3.510 0.010 6 0 "[ . 1 . 2]" 1
694 1 44 GLN QG 1 53 PHE HB3 2.500 . 3.500 2.791 1.979 3.503 0.003 4 0 "[ . 1 . 2]" 1
695 1 44 GLN QG 1 53 PHE QD 2.500 . 3.500 2.512 2.101 3.303 . 0 0 "[ . 1 . 2]" 1
696 1 45 ARG H 1 45 ARG QB 3.500 . 4.500 2.696 2.380 3.145 . 0 0 "[ . 1 . 2]" 1
697 1 45 ARG H 1 53 PHE QD 3.500 . 4.500 3.652 3.047 4.028 . 0 0 "[ . 1 . 2]" 1
698 1 45 ARG H 1 54 HIS H 3.500 . 4.500 3.221 2.852 3.914 . 0 0 "[ . 1 . 2]" 1
699 1 45 ARG H 1 55 VAL HA 3.500 . 4.500 3.948 3.315 4.499 . 0 0 "[ . 1 . 2]" 1
700 1 45 ARG H 1 59 PHE QD 3.500 . 4.500 4.158 3.665 4.509 0.009 6 0 "[ . 1 . 2]" 1
701 1 45 ARG HA 1 45 ARG QB 3.500 . 4.500 2.407 2.180 2.540 . 0 0 "[ . 1 . 2]" 1
702 1 45 ARG HA 1 45 ARG QG 2.500 . 3.500 2.482 2.159 3.387 . 0 0 "[ . 1 . 2]" 1
703 1 45 ARG HA 1 46 PHE H 3.500 . 4.500 2.269 2.139 2.629 . 0 0 "[ . 1 . 2]" 1
704 1 45 ARG QB 1 45 ARG QG 2.000 . 2.800 2.061 2.018 2.088 . 0 0 "[ . 1 . 2]" 1
705 1 45 ARG QB 1 59 PHE QD 5.000 2.500 6.000 3.368 2.564 4.891 . 0 0 "[ . 1 . 2]" 1
706 1 45 ARG QG 1 46 PHE H 5.000 2.500 6.000 3.207 2.553 4.231 . 0 0 "[ . 1 . 2]" 1
707 1 45 ARG QG 1 59 PHE QD 5.000 2.500 6.000 4.149 2.625 5.378 . 0 0 "[ . 1 . 2]" 1
708 1 46 PHE H 1 46 PHE HB2 3.500 . 4.500 2.658 2.206 3.083 . 0 0 "[ . 1 . 2]" 1
709 1 46 PHE H 1 46 PHE HB3 3.500 . 4.500 2.608 2.470 2.918 . 0 0 "[ . 1 . 2]" 1
710 1 46 PHE H 1 53 PHE QD 5.000 2.500 6.000 3.726 3.009 4.542 . 0 0 "[ . 1 . 2]" 1
711 1 46 PHE H 1 53 PHE QE 3.500 . 4.500 3.241 2.438 4.494 . 0 0 "[ . 1 . 2]" 1
712 1 46 PHE HA 1 46 PHE QD 3.500 . 4.500 2.782 2.171 3.164 . 0 0 "[ . 1 . 2]" 1
713 1 46 PHE HA 1 47 CYS H 2.500 . 3.500 2.203 2.139 2.412 . 0 0 "[ . 1 . 2]" 1
714 1 46 PHE HA 1 53 PHE HA 2.500 . 3.500 2.632 2.256 3.212 . 0 0 "[ . 1 . 2]" 1
715 1 46 PHE HA 1 53 PHE QD 5.000 2.500 6.000 3.129 2.704 3.564 . 0 0 "[ . 1 . 2]" 1
716 1 46 PHE HA 1 54 HIS H 3.500 . 4.500 3.538 3.028 4.479 . 0 0 "[ . 1 . 2]" 1
717 1 46 PHE HB2 1 46 PHE QD 3.500 . 4.500 2.441 2.287 2.670 . 0 0 "[ . 1 . 2]" 1
718 1 46 PHE HB2 1 53 PHE QD 3.500 . 4.500 3.421 3.029 4.029 . 0 0 "[ . 1 . 2]" 1
719 1 46 PHE HB2 1 53 PHE QE 3.500 . 4.500 2.601 2.262 3.462 . 0 0 "[ . 1 . 2]" 1
720 1 46 PHE HB3 1 46 PHE QD 2.500 . 3.500 2.356 2.267 2.529 . 0 0 "[ . 1 . 2]" 1
721 1 46 PHE QD 1 47 CYS H 5.000 2.500 6.000 3.557 2.780 4.382 . 0 0 "[ . 1 . 2]" 1
722 1 46 PHE QD 1 48 GLN QG 3.500 . 4.500 3.653 2.273 4.284 . 0 0 "[ . 1 . 2]" 1
723 1 46 PHE QD 1 53 PHE HA 5.000 2.500 6.000 3.283 2.765 4.529 . 0 0 "[ . 1 . 2]" 1
724 1 46 PHE QD 1 53 PHE QD 3.500 . 4.500 3.451 3.044 4.201 . 0 0 "[ . 1 . 2]" 1
725 1 46 PHE QD 1 53 PHE QE 3.500 . 4.500 3.614 3.120 4.310 . 0 0 "[ . 1 . 2]" 1
726 1 46 PHE QE 1 48 GLN HA 2.500 . 3.500 3.220 2.371 3.504 0.004 6 0 "[ . 1 . 2]" 1
727 1 46 PHE QE 1 48 GLN QG 3.500 . 4.500 3.502 2.484 4.076 . 0 0 "[ . 1 . 2]" 1
728 1 46 PHE QE 1 51 SER HA 3.500 . 4.500 3.518 2.808 4.127 . 0 0 "[ . 1 . 2]" 1
729 1 46 PHE QE 1 52 ARG HA 2.500 . 3.500 3.102 2.668 3.504 0.004 5 0 "[ . 1 . 2]" 1
730 1 46 PHE HZ 1 51 SER HA 3.500 . 4.500 3.300 2.443 4.277 . 0 0 "[ . 1 . 2]" 1
731 1 47 CYS H 1 47 CYS HA 5.000 2.500 6.000 2.916 2.815 2.948 . 0 0 "[ . 1 . 2]" 1
732 1 47 CYS H 1 47 CYS QB 3.500 . 4.500 2.407 2.174 3.013 . 0 0 "[ . 1 . 2]" 1
733 1 47 CYS H 1 53 PHE HA 3.500 . 4.500 3.905 3.010 4.491 . 0 0 "[ . 1 . 2]" 1
734 1 47 CYS HA 1 47 CYS HB2 2.500 . 3.500 2.664 2.470 3.026 . 0 0 "[ . 1 . 2]" 1
735 1 47 CYS HA 1 47 CYS QB 3.500 . 4.500 2.456 2.178 2.513 . 0 0 "[ . 1 . 2]" 1
736 1 47 CYS HA 1 47 CYS HB3 2.500 . 3.500 2.925 2.361 3.027 . 0 0 "[ . 1 . 2]" 1
737 1 47 CYS HA 1 48 GLN H 2.500 . 3.500 2.324 2.143 3.359 . 0 0 "[ . 1 . 2]" 1
738 1 47 CYS HA 1 59 PHE QD 5.000 2.500 6.000 5.806 4.798 6.005 0.005 6 0 "[ . 1 . 2]" 1
739 1 47 CYS QB 1 48 GLN H 3.500 . 4.500 3.327 2.596 3.826 . 0 0 "[ . 1 . 2]" 1
740 1 48 GLN H 1 48 GLN HB2 2.500 . 3.500 2.355 2.135 3.305 . 0 0 "[ . 1 . 2]" 1
741 1 48 GLN H 1 48 GLN HB3 3.500 . 4.500 3.560 3.449 4.106 . 0 0 "[ . 1 . 2]" 1
742 1 48 GLN H 1 48 GLN QG 3.500 . 4.500 3.032 1.999 3.763 0.001 14 0 "[ . 1 . 2]" 1
743 1 48 GLN H 1 49 GLN H 3.500 . 4.500 2.488 2.069 3.936 . 0 0 "[ . 1 . 2]" 1
744 1 48 GLN HA 1 48 GLN HB2 2.500 . 3.500 2.987 2.951 3.024 . 0 0 "[ . 1 . 2]" 1
745 1 48 GLN HA 1 48 GLN HB3 2.500 . 3.500 2.616 2.412 2.720 . 0 0 "[ . 1 . 2]" 1
746 1 48 GLN HA 1 48 GLN QG 2.500 . 3.500 2.261 2.109 2.499 . 0 0 "[ . 1 . 2]" 1
747 1 48 GLN HA 1 49 GLN H 5.000 2.500 6.000 3.521 3.488 3.566 . 0 0 "[ . 1 . 2]" 1
748 1 48 GLN HA 1 51 SER H 3.500 . 4.500 3.727 3.286 4.082 . 0 0 "[ . 1 . 2]" 1
749 1 48 GLN HA 1 51 SER HA 5.000 2.500 6.000 3.630 3.228 4.281 . 0 0 "[ . 1 . 2]" 1
750 1 48 GLN HB2 1 49 GLN H 2.500 . 3.500 2.803 2.376 3.074 . 0 0 "[ . 1 . 2]" 1
751 1 49 GLN H 1 49 GLN HA 2.500 . 3.500 2.847 2.780 2.894 . 0 0 "[ . 1 . 2]" 1
752 1 49 GLN H 1 49 GLN QB 2.000 . 2.800 2.267 2.041 2.759 . 0 0 "[ . 1 . 2]" 1
753 1 49 GLN H 1 50 CYS H 2.500 . 3.500 2.685 2.334 3.126 . 0 0 "[ . 1 . 2]" 1
754 1 49 GLN H 1 51 SER H 5.000 2.500 6.000 3.702 3.432 3.931 . 0 0 "[ . 1 . 2]" 1
755 1 49 GLN HA 1 49 GLN QB 2.000 . 2.800 2.431 2.176 2.540 . 0 0 "[ . 1 . 2]" 1
756 1 49 GLN QB 1 50 CYS H 2.500 . 3.500 2.417 1.985 3.468 . 0 0 "[ . 1 . 2]" 1
757 1 50 CYS H 1 51 SER H 3.500 . 4.500 2.484 2.176 2.687 . 0 0 "[ . 1 . 2]" 1
758 1 51 SER H 1 51 SER HA 2.500 . 3.500 2.274 2.272 2.275 . 0 0 "[ . 1 . 2]" 1
759 1 51 SER H 1 52 ARG H 3.500 . 4.500 3.226 2.596 4.502 0.002 12 0 "[ . 1 . 2]" 1
760 1 51 SER HA 1 52 ARG H 3.500 . 4.500 2.694 2.359 2.928 . 0 0 "[ . 1 . 2]" 1
761 1 52 ARG HA 1 52 ARG HB2 2.500 . 3.500 2.709 2.431 3.024 . 0 0 "[ . 1 . 2]" 1
762 1 52 ARG HA 1 52 ARG HB3 2.500 . 3.500 2.799 2.376 3.025 . 0 0 "[ . 1 . 2]" 1
763 1 52 ARG HA 1 53 PHE H 2.500 . 3.500 2.312 2.172 2.509 . 0 0 "[ . 1 . 2]" 1
764 1 52 ARG HB2 1 53 PHE H 3.500 . 4.500 3.856 2.510 4.228 . 0 0 "[ . 1 . 2]" 1
765 1 52 ARG HB3 1 53 PHE H 3.500 . 4.500 3.306 2.293 4.040 . 0 0 "[ . 1 . 2]" 1
766 1 53 PHE H 1 53 PHE HB2 2.500 . 3.500 2.178 2.125 2.569 . 0 0 "[ . 1 . 2]" 1
767 1 53 PHE H 1 53 PHE HB3 3.500 . 4.500 3.466 3.422 3.588 . 0 0 "[ . 1 . 2]" 1
768 1 53 PHE H 1 53 PHE QD 2.500 . 3.500 3.371 2.861 3.501 0.001 14 0 "[ . 1 . 2]" 1
769 1 53 PHE HA 1 53 PHE QD 3.500 . 4.500 2.249 2.029 2.594 . 0 0 "[ . 1 . 2]" 1
770 1 53 PHE HA 1 54 HIS H 2.500 . 3.500 2.202 2.139 2.345 . 0 0 "[ . 1 . 2]" 1
771 1 53 PHE HB3 1 53 PHE QD 2.500 . 3.500 2.657 2.539 2.719 . 0 0 "[ . 1 . 2]" 1
772 1 53 PHE HB3 1 53 PHE QE 3.500 . 4.500 4.475 4.446 4.491 . 0 0 "[ . 1 . 2]" 1
773 1 53 PHE HB3 1 54 HIS H 3.500 . 4.500 3.439 2.614 4.182 . 0 0 "[ . 1 . 2]" 1
774 1 53 PHE QD 1 54 HIS H 5.000 2.500 6.000 3.171 2.644 4.115 . 0 0 "[ . 1 . 2]" 1
775 1 54 HIS H 1 54 HIS HA 5.000 2.500 6.000 2.927 2.860 2.950 . 0 0 "[ . 1 . 2]" 1
776 1 54 HIS H 1 54 HIS HB2 3.500 . 4.500 2.524 2.266 2.923 . 0 0 "[ . 1 . 2]" 1
777 1 54 HIS H 1 54 HIS HB3 3.500 . 4.500 3.658 3.528 3.901 . 0 0 "[ . 1 . 2]" 1
778 1 54 HIS H 1 59 PHE QD 5.000 2.500 6.000 5.470 5.000 5.999 . 0 0 "[ . 1 . 2]" 1
779 1 54 HIS HA 1 54 HIS HB3 2.500 . 3.500 2.631 2.546 2.733 . 0 0 "[ . 1 . 2]" 1
780 1 54 HIS HA 1 55 VAL H 2.000 . 2.800 2.224 2.139 2.793 . 0 0 "[ . 1 . 2]" 1
781 1 54 HIS HA 1 55 VAL QG 3.500 . 4.500 3.474 3.229 3.789 . 0 0 "[ . 1 . 2]" 1
782 1 54 HIS HB2 1 55 VAL H 3.500 . 4.500 4.254 4.090 4.469 . 0 0 "[ . 1 . 2]" 1
783 1 54 HIS HB2 1 59 PHE QD 3.500 . 4.500 4.316 4.042 4.504 0.004 18 0 "[ . 1 . 2]" 1
784 1 54 HIS HB3 1 55 VAL H 3.500 . 4.500 3.207 2.884 4.352 . 0 0 "[ . 1 . 2]" 1
785 1 55 VAL H 1 55 VAL HB 3.500 . 4.500 3.300 2.486 3.664 . 0 0 "[ . 1 . 2]" 1
786 1 55 VAL H 1 55 VAL QG 2.000 . 2.800 1.990 1.833 2.415 . 0 0 "[ . 1 . 2]" 1
787 1 55 VAL HA 1 55 VAL MG1 3.500 . 4.500 2.468 2.160 3.196 . 0 0 "[ . 1 . 2]" 1
788 1 55 VAL HA 1 55 VAL QG 2.500 . 3.500 2.219 2.047 2.288 . 0 0 "[ . 1 . 2]" 1
789 1 55 VAL HA 1 55 VAL MG2 3.500 . 4.500 2.898 2.243 3.199 . 0 0 "[ . 1 . 2]" 1
790 1 55 VAL HA 1 56 LEU H 2.500 . 3.500 2.401 2.205 2.609 . 0 0 "[ . 1 . 2]" 1
791 1 55 VAL HB 1 55 VAL MG1 2.000 . 2.800 2.111 2.095 2.128 . 0 0 "[ . 1 . 2]" 1
792 1 55 VAL HB 1 55 VAL QG 2.000 . 2.800 1.882 1.867 1.895 . 0 0 "[ . 1 . 2]" 1
793 1 55 VAL HB 1 55 VAL MG2 2.000 . 2.800 2.114 2.092 2.130 . 0 0 "[ . 1 . 2]" 1
794 1 55 VAL HB 1 56 LEU H 3.500 . 4.500 2.812 1.986 4.072 0.014 15 0 "[ . 1 . 2]" 1
795 1 55 VAL QG 1 56 LEU H 3.500 . 4.500 2.731 1.995 3.343 0.005 17 0 "[ . 1 . 2]" 1
796 1 55 VAL QG 1 57 GLU H 3.500 . 4.500 2.842 1.996 4.224 0.004 15 0 "[ . 1 . 2]" 1
797 1 55 VAL QG 1 57 GLU QG 2.500 . 3.500 2.111 1.739 2.792 . 0 0 "[ . 1 . 2]" 1
798 1 55 VAL MG1 1 56 LEU H 3.500 . 4.500 3.297 2.005 3.837 . 0 0 "[ . 1 . 2]" 1
799 1 55 VAL MG1 1 57 GLU QG 2.500 . 3.500 2.997 1.748 3.503 0.003 18 0 "[ . 1 . 2]" 1
800 1 55 VAL MG2 1 56 LEU H 3.500 . 4.500 3.272 2.005 3.988 . 0 0 "[ . 1 . 2]" 1
801 1 55 VAL MG2 1 57 GLU QG 2.500 . 3.500 2.506 1.862 3.508 0.008 19 0 "[ . 1 . 2]" 1
802 1 56 LEU H 1 56 LEU QB 2.500 . 3.500 2.484 2.054 2.782 . 0 0 "[ . 1 . 2]" 1
803 1 56 LEU H 1 56 LEU QD 3.500 . 4.500 3.037 2.170 3.733 . 0 0 "[ . 1 . 2]" 1
804 1 56 LEU H 1 57 GLU H 3.500 . 4.500 3.375 2.537 4.525 0.025 17 0 "[ . 1 . 2]" 1
805 1 56 LEU HA 1 56 LEU HB2 2.500 . 3.500 2.875 2.457 3.018 . 0 0 "[ . 1 . 2]" 1
806 1 56 LEU HA 1 56 LEU HB3 2.500 . 3.500 2.542 2.338 3.007 . 0 0 "[ . 1 . 2]" 1
807 1 56 LEU HA 1 56 LEU QD 2.500 . 3.500 2.557 1.975 3.463 . 0 0 "[ . 1 . 2]" 1
808 1 56 LEU HA 1 57 GLU H 2.500 . 3.500 2.700 2.133 3.472 . 0 0 "[ . 1 . 2]" 1
809 1 56 LEU HA 1 59 PHE H 3.500 . 4.500 3.632 2.810 4.422 . 0 0 "[ . 1 . 2]" 1
810 1 56 LEU HA 1 59 PHE QD 2.500 . 3.500 2.606 1.900 3.513 0.013 17 0 "[ . 1 . 2]" 1
811 1 56 LEU QB 1 56 LEU MD1 2.000 . 2.800 2.076 1.948 2.290 . 0 0 "[ . 1 . 2]" 1
812 1 56 LEU QB 1 56 LEU QD 2.000 . 2.800 1.848 1.732 1.942 . 0 0 "[ . 1 . 2]" 1
813 1 56 LEU QB 1 56 LEU MD2 2.000 . 2.800 2.082 1.925 2.293 . 0 0 "[ . 1 . 2]" 1
814 1 56 LEU QB 1 57 GLU H 3.500 . 4.500 3.712 2.927 4.035 . 0 0 "[ . 1 . 2]" 1
815 1 56 LEU QD 1 57 GLU H 5.000 2.500 6.000 4.226 3.136 4.599 . 0 0 "[ . 1 . 2]" 1
816 1 56 LEU QD 1 59 PHE QD 3.500 . 4.500 3.710 2.783 4.534 0.034 1 0 "[ . 1 . 2]" 1
817 1 57 GLU H 1 57 GLU HA 2.500 . 3.500 2.902 2.774 2.946 . 0 0 "[ . 1 . 2]" 1
818 1 57 GLU H 1 57 GLU HB2 2.500 . 3.500 2.624 2.275 3.005 . 0 0 "[ . 1 . 2]" 1
819 1 57 GLU H 1 57 GLU HB3 3.500 . 4.500 3.695 3.551 3.853 . 0 0 "[ . 1 . 2]" 1
820 1 57 GLU H 1 57 GLU QG 3.500 . 4.500 2.652 2.038 3.831 . 0 0 "[ . 1 . 2]" 1
821 1 57 GLU H 1 58 GLU H 3.500 . 4.500 2.500 1.985 4.366 0.015 15 0 "[ . 1 . 2]" 1
822 1 57 GLU HA 1 57 GLU HB2 2.500 . 3.500 3.016 2.965 3.023 . 0 0 "[ . 1 . 2]" 1
823 1 57 GLU HA 1 57 GLU HB3 2.500 . 3.500 2.460 2.378 2.693 . 0 0 "[ . 1 . 2]" 1
824 1 57 GLU HA 1 57 GLU QG 2.500 . 3.500 2.555 2.097 2.974 . 0 0 "[ . 1 . 2]" 1
825 1 57 GLU HA 1 58 GLU H 2.500 . 3.500 3.281 2.159 3.548 0.048 11 0 "[ . 1 . 2]" 1
826 1 57 GLU HB2 1 57 GLU QG 2.000 . 2.800 2.169 2.128 2.305 . 0 0 "[ . 1 . 2]" 1
827 1 57 GLU HB3 1 57 GLU QG 2.000 . 2.800 2.470 2.378 2.523 . 0 0 "[ . 1 . 2]" 1
828 1 57 GLU HB3 1 58 GLU H 3.500 . 4.500 3.876 3.020 4.500 . 0 0 "[ . 1 . 2]" 1
829 1 58 GLU H 1 59 PHE H 2.500 . 3.500 2.385 1.958 3.067 . 0 0 "[ . 1 . 2]" 1
830 1 58 GLU HA 1 59 PHE H 3.500 . 4.500 3.192 2.435 3.567 . 0 0 "[ . 1 . 2]" 1
831 1 59 PHE H 1 59 PHE HB2 2.500 . 3.500 2.487 2.187 2.824 . 0 0 "[ . 1 . 2]" 1
832 1 59 PHE H 1 59 PHE HB3 3.500 . 4.500 3.627 3.463 3.885 . 0 0 "[ . 1 . 2]" 1
833 1 59 PHE H 1 59 PHE QD 2.500 . 3.500 2.886 2.128 3.527 0.027 6 0 "[ . 1 . 2]" 1
834 1 59 PHE HA 1 59 PHE QD 3.500 . 4.500 2.653 2.004 2.975 . 0 0 "[ . 1 . 2]" 1
835 1 59 PHE HA 1 60 ASP H 3.500 . 4.500 2.364 2.140 3.491 . 0 0 "[ . 1 . 2]" 1
836 1 59 PHE HB2 1 59 PHE QD 2.500 . 3.500 2.335 2.263 2.690 . 0 0 "[ . 1 . 2]" 1
837 1 59 PHE HB2 1 60 ASP H 5.000 2.500 6.000 4.162 2.954 4.567 . 0 0 "[ . 1 . 2]" 1
838 1 59 PHE HB3 1 59 PHE QD 2.500 . 3.500 2.494 2.275 2.742 . 0 0 "[ . 1 . 2]" 1
839 1 59 PHE HB3 1 60 ASP H 5.000 2.500 6.000 3.527 2.652 4.450 . 0 0 "[ . 1 . 2]" 1
840 1 60 ASP H 1 60 ASP HB2 3.500 . 4.500 2.583 2.169 3.653 . 0 0 "[ . 1 . 2]" 1
841 1 60 ASP H 1 60 ASP HB3 5.000 2.500 6.000 3.691 3.474 4.059 . 0 0 "[ . 1 . 2]" 1
842 1 60 ASP HA 1 60 ASP HB3 2.500 . 3.500 2.566 2.404 2.686 . 0 0 "[ . 1 . 2]" 1
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