NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387985 |
1mv4   |
5610 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mv4
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 1099
_Distance_constraint_stats_list.Viol_count 481
_Distance_constraint_stats_list.Viol_total 358.752
_Distance_constraint_stats_list.Viol_max 0.432
_Distance_constraint_stats_list.Viol_rms 0.0208
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0746
_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 2 CYS 2.581 0.432 9 0 "[ . 1]"
1 3 GLY 0.824 0.220 1 0 "[ . 1]"
1 4 LYS 1.206 0.268 3 0 "[ . 1]"
1 5 SER 1.206 0.268 3 0 "[ . 1]"
1 6 ILE 1.375 0.258 9 0 "[ . 1]"
1 7 ASP 0.000 0.000 . 0 "[ . 1]"
1 8 ASP 0.024 0.024 2 0 "[ . 1]"
1 9 LEU 0.089 0.089 4 0 "[ . 1]"
1 10 GLU 0.471 0.113 3 0 "[ . 1]"
1 11 ASP 0.254 0.054 5 0 "[ . 1]"
1 12 GLU 0.089 0.089 4 0 "[ . 1]"
1 13 LEU 1.949 0.118 7 0 "[ . 1]"
1 14 TYR 0.198 0.116 6 0 "[ . 1]"
1 15 ALA 0.079 0.037 7 0 "[ . 1]"
1 16 GLN 0.000 0.000 . 0 "[ . 1]"
1 17 LYS 0.946 0.103 8 0 "[ . 1]"
1 18 LEU 0.991 0.133 1 0 "[ . 1]"
1 19 LYS 0.278 0.091 4 0 "[ . 1]"
1 20 TYR 0.991 0.133 1 0 "[ . 1]"
1 21 LYS 0.860 0.119 7 0 "[ . 1]"
1 22 ALA 0.000 0.000 . 0 "[ . 1]"
1 23 ILE 1.030 0.119 7 0 "[ . 1]"
1 24 SER 0.004 0.004 9 0 "[ . 1]"
1 25 GLU 0.924 0.171 7 0 "[ . 1]"
1 26 GLU 0.702 0.079 10 0 "[ . 1]"
1 27 LEU 0.423 0.079 10 0 "[ . 1]"
1 28 ASP 2.835 0.171 7 0 "[ . 1]"
1 29 HIS 1.691 0.122 10 0 "[ . 1]"
1 30 ALA 0.458 0.094 6 0 "[ . 1]"
1 31 LEU 1.570 0.126 4 0 "[ . 1]"
1 32 LYS 0.791 0.111 8 0 "[ . 1]"
1 33 ASP 0.813 0.126 4 0 "[ . 1]"
1 34 MET 0.401 0.111 8 0 "[ . 1]"
1 35 THR 2.079 0.323 6 0 "[ . 1]"
1 36 SER 2.635 0.286 9 0 "[ . 1]"
1 37 ILE 3.695 0.286 9 0 "[ . 1]"
2 2 CYS 1.031 0.234 3 0 "[ . 1]"
2 3 GLY 1.319 0.432 9 0 "[ . 1]"
2 4 LYS 1.516 0.306 10 0 "[ . 1]"
2 5 SER 1.516 0.306 10 0 "[ . 1]"
2 6 ILE 0.320 0.234 3 0 "[ . 1]"
2 7 ASP 0.000 0.000 . 0 "[ . 1]"
2 8 ASP 0.000 0.000 . 0 "[ . 1]"
2 9 LEU 0.228 0.105 5 0 "[ . 1]"
2 10 GLU 0.276 0.088 9 0 "[ . 1]"
2 11 ASP 0.492 0.098 4 0 "[ . 1]"
2 12 GLU 0.397 0.105 5 0 "[ . 1]"
2 13 LEU 1.934 0.118 7 0 "[ . 1]"
2 14 TYR 0.388 0.072 8 0 "[ . 1]"
2 15 ALA 0.289 0.072 8 0 "[ . 1]"
2 16 GLN 0.000 0.000 . 0 "[ . 1]"
2 17 LYS 1.081 0.104 2 0 "[ . 1]"
2 18 LEU 0.960 0.145 2 0 "[ . 1]"
2 19 LYS 0.403 0.104 2 0 "[ . 1]"
2 20 TYR 0.960 0.145 2 0 "[ . 1]"
2 21 LYS 1.018 0.137 1 0 "[ . 1]"
2 22 ALA 0.001 0.001 8 0 "[ . 1]"
2 23 ILE 1.273 0.137 1 0 "[ . 1]"
2 24 SER 0.210 0.080 3 0 "[ . 1]"
2 25 GLU 0.608 0.118 5 0 "[ . 1]"
2 26 GLU 0.461 0.089 3 0 "[ . 1]"
2 27 LEU 0.245 0.066 7 0 "[ . 1]"
2 28 ASP 2.041 0.118 5 0 "[ . 1]"
2 29 HIS 1.113 0.106 3 0 "[ . 1]"
2 30 ALA 0.688 0.108 10 0 "[ . 1]"
2 31 LEU 1.352 0.228 10 0 "[ . 1]"
2 32 LYS 1.161 0.183 10 0 "[ . 1]"
2 33 ASP 0.904 0.228 10 0 "[ . 1]"
2 34 MET 0.821 0.149 5 0 "[ . 1]"
2 35 THR 3.447 0.378 8 0 "[ . 1]"
2 36 SER 2.493 0.370 10 0 "[ . 1]"
2 37 ILE 3.893 0.378 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 CYS HA 1 3 GLY H . . 4.000 3.101 2.245 3.649 . 0 0 "[ . 1]" 1
2 1 2 CYS HA 1 6 ILE MD . . 6.000 3.802 1.835 5.249 . 0 0 "[ . 1]" 1
3 1 2 CYS HA 1 6 ILE QG . . 6.000 3.622 1.803 5.242 . 0 0 "[ . 1]" 1
4 1 2 CYS HA 1 6 ILE MG . . 6.000 4.269 2.254 5.131 . 0 0 "[ . 1]" 1
5 1 2 CYS HA 2 2 CYS QB . . 6.000 3.509 1.721 4.638 . 0 0 "[ . 1]" 1
6 1 2 CYS HA 2 3 GLY HA3 . . 5.000 4.998 4.201 5.432 0.432 9 0 "[ . 1]" 1
7 1 2 CYS QB 1 3 GLY H . . 5.600 2.625 1.886 3.762 . 0 0 "[ . 1]" 1
8 1 2 CYS QB 1 6 ILE MD . . 7.000 2.591 1.757 4.024 . 0 0 "[ . 1]" 1
9 1 2 CYS QB 1 6 ILE MG . . 7.000 3.052 2.234 4.871 . 0 0 "[ . 1]" 1
10 1 2 CYS QB 2 2 CYS HA . . 6.000 3.320 1.845 5.603 . 0 0 "[ . 1]" 1
11 1 2 CYS QB 2 6 ILE MD . . 7.000 3.427 1.910 4.998 . 0 0 "[ . 1]" 1
12 1 2 CYS HB2 1 6 ILE HB . . 5.000 3.741 1.818 5.220 0.220 5 0 "[ . 1]" 1
13 1 2 CYS HB2 2 6 ILE MG . . 6.000 3.945 2.405 5.019 . 0 0 "[ . 1]" 1
14 1 2 CYS HB3 1 6 ILE HB . . 5.000 3.814 1.967 5.258 0.258 9 0 "[ . 1]" 1
15 1 2 CYS HB3 2 6 ILE MG . . 6.000 3.552 1.842 4.893 . 0 0 "[ . 1]" 1
16 1 3 GLY H 1 4 LYS H . . 4.000 2.219 1.715 3.660 . 0 0 "[ . 1]" 1
17 1 3 GLY H 1 4 LYS QB . . 4.600 3.788 3.294 4.418 . 0 0 "[ . 1]" 1
18 1 3 GLY H 1 6 ILE HB . . 5.000 4.246 2.822 5.113 0.113 9 0 "[ . 1]" 1
19 1 3 GLY HA3 1 4 LYS H . . 5.000 3.434 2.934 3.642 . 0 0 "[ . 1]" 1
20 1 3 GLY HA3 2 2 CYS HA . . 5.000 4.842 3.399 5.220 0.220 1 0 "[ . 1]" 1
21 1 4 LYS H 1 4 LYS HB2 . . 4.000 3.045 2.703 3.281 . 0 0 "[ . 1]" 1
22 1 4 LYS H 1 4 LYS HB3 . . 4.000 3.739 3.554 3.913 . 0 0 "[ . 1]" 1
23 1 4 LYS H 1 5 SER HA . . 4.000 4.110 3.892 4.268 0.268 3 0 "[ . 1]" 1
24 1 4 LYS H 1 6 ILE QG . . 6.000 3.419 2.342 5.013 . 0 0 "[ . 1]" 1
25 1 4 LYS HA 1 4 LYS HD2 . . 5.000 4.010 1.992 4.662 . 0 0 "[ . 1]" 1
26 1 4 LYS HA 1 4 LYS HD3 . . 5.000 3.890 2.044 4.402 . 0 0 "[ . 1]" 1
27 1 4 LYS HA 1 5 SER H . . 5.000 3.615 3.559 3.639 . 0 0 "[ . 1]" 1
28 1 4 LYS QB 1 5 SER HA . . 4.600 4.159 4.053 4.346 . 0 0 "[ . 1]" 1
29 1 4 LYS QB 1 6 ILE H . . 6.000 4.227 3.532 5.404 . 0 0 "[ . 1]" 1
30 1 4 LYS QB 1 6 ILE MD . . 7.000 3.848 2.467 5.275 . 0 0 "[ . 1]" 1
31 1 5 SER HA 1 8 ASP H . . 5.000 3.857 3.424 4.305 . 0 0 "[ . 1]" 1
32 1 5 SER QB 1 7 ASP H . . 6.000 4.756 4.291 5.291 . 0 0 "[ . 1]" 1
33 1 5 SER QB 1 8 ASP HB2 . . 6.000 3.568 1.989 4.773 . 0 0 "[ . 1]" 1
34 1 5 SER QB 1 8 ASP HB3 . . 6.000 3.765 2.191 4.769 . 0 0 "[ . 1]" 1
35 1 5 SER HB2 1 6 ILE H . . 5.000 4.496 4.087 4.735 . 0 0 "[ . 1]" 1
36 1 5 SER HB3 1 6 ILE H . . 5.000 4.452 4.007 4.712 . 0 0 "[ . 1]" 1
37 1 6 ILE H 1 6 ILE HB . . 4.000 2.424 2.046 2.919 . 0 0 "[ . 1]" 1
38 1 6 ILE H 1 6 ILE HG12 . . 5.000 3.015 1.867 4.465 . 0 0 "[ . 1]" 1
39 1 6 ILE H 1 6 ILE HG13 . . 5.000 3.400 1.903 4.383 . 0 0 "[ . 1]" 1
40 1 6 ILE H 1 9 LEU QB . . 5.000 4.332 4.155 4.419 . 0 0 "[ . 1]" 1
41 1 6 ILE HA 1 7 ASP H . . 5.000 3.572 3.518 3.632 . 0 0 "[ . 1]" 1
42 1 6 ILE HA 1 9 LEU HB2 . . 5.000 2.084 1.800 3.383 . 0 0 "[ . 1]" 1
43 1 6 ILE HA 1 9 LEU HB3 . . 5.000 2.976 2.252 3.359 . 0 0 "[ . 1]" 1
44 1 6 ILE HA 1 9 LEU QD . . 7.400 2.797 1.985 3.626 . 0 0 "[ . 1]" 1
45 1 6 ILE HA 1 9 LEU HG . . 5.000 4.039 3.052 4.822 . 0 0 "[ . 1]" 1
46 1 6 ILE HA 1 10 GLU H . . 5.000 3.971 3.423 4.415 . 0 0 "[ . 1]" 1
47 1 6 ILE HA 2 6 ILE MG . . 6.000 3.834 3.122 4.809 . 0 0 "[ . 1]" 1
48 1 6 ILE HA 2 9 LEU QB . . 6.000 5.333 5.060 5.555 . 0 0 "[ . 1]" 1
49 1 6 ILE HA 2 9 LEU QD . . 7.400 4.313 3.453 5.054 . 0 0 "[ . 1]" 1
50 1 6 ILE HB 1 10 GLU QG . . 6.000 4.629 3.998 5.194 . 0 0 "[ . 1]" 1
51 1 6 ILE HB 2 6 ILE MD . . 6.000 4.117 3.516 4.823 . 0 0 "[ . 1]" 1
52 1 6 ILE MD 2 2 CYS QB . . 7.000 3.554 1.908 4.984 . 0 0 "[ . 1]" 1
53 1 6 ILE MD 2 6 ILE HB . . 6.000 3.988 1.875 5.039 . 0 0 "[ . 1]" 1
54 1 6 ILE MD 2 6 ILE HG12 . . 6.000 3.219 1.899 4.978 . 0 0 "[ . 1]" 1
55 1 6 ILE MD 2 6 ILE HG13 . . 6.000 3.274 1.973 3.989 . 0 0 "[ . 1]" 1
56 1 6 ILE MD 2 10 GLU QG . . 7.000 4.017 2.405 5.287 . 0 0 "[ . 1]" 1
57 1 6 ILE QG 2 6 ILE QG . . 7.000 2.154 1.809 4.002 . 0 0 "[ . 1]" 1
58 1 6 ILE HG12 2 6 ILE MD . . 6.000 4.048 3.055 5.153 . 0 0 "[ . 1]" 1
59 1 6 ILE HG12 2 6 ILE MG . . 6.000 3.006 1.860 4.617 . 0 0 "[ . 1]" 1
60 1 6 ILE HG13 2 6 ILE MD . . 6.000 3.937 2.432 4.759 . 0 0 "[ . 1]" 1
61 1 6 ILE HG13 2 6 ILE MG . . 6.000 2.883 1.832 5.047 . 0 0 "[ . 1]" 1
62 1 6 ILE MG 1 7 ASP H . . 6.000 3.504 2.556 4.044 . 0 0 "[ . 1]" 1
63 1 6 ILE MG 1 7 ASP HA . . 6.000 3.608 2.951 4.274 . 0 0 "[ . 1]" 1
64 1 6 ILE MG 1 9 LEU H . . 6.000 4.170 3.785 4.890 . 0 0 "[ . 1]" 1
65 1 6 ILE MG 1 10 GLU H . . 6.000 3.250 2.745 3.963 . 0 0 "[ . 1]" 1
66 1 6 ILE MG 1 10 GLU QG . . 7.000 2.348 1.913 3.562 . 0 0 "[ . 1]" 1
67 1 6 ILE MG 2 2 CYS HB2 . . 6.000 4.377 1.765 5.065 . 0 0 "[ . 1]" 1
68 1 6 ILE MG 2 2 CYS HB3 . . 6.000 3.930 2.202 4.937 . 0 0 "[ . 1]" 1
69 1 6 ILE MG 2 6 ILE HA . . 6.000 3.674 3.039 4.515 . 0 0 "[ . 1]" 1
70 1 6 ILE MG 2 6 ILE HG12 . . 6.000 2.442 1.707 3.453 . 0 0 "[ . 1]" 1
71 1 6 ILE MG 2 6 ILE HG13 . . 6.000 2.076 1.743 3.089 . 0 0 "[ . 1]" 1
72 1 6 ILE MG 2 10 GLU QG . . 7.000 4.516 3.730 5.129 . 0 0 "[ . 1]" 1
73 1 7 ASP HA 1 10 GLU H . . 5.000 3.797 3.425 4.311 . 0 0 "[ . 1]" 1
74 1 7 ASP HA 1 10 GLU QB . . 5.000 3.441 3.090 3.755 . 0 0 "[ . 1]" 1
75 1 7 ASP QB 1 8 ASP H . . 5.600 2.161 1.998 2.527 . 0 0 "[ . 1]" 1
76 1 7 ASP QB 1 8 ASP QB . . 5.200 3.735 3.495 4.086 . 0 0 "[ . 1]" 1
77 1 7 ASP QB 1 9 LEU H . . 6.000 4.209 4.001 4.528 . 0 0 "[ . 1]" 1
78 1 7 ASP QB 1 11 ASP QB . . 6.000 4.302 3.945 4.495 . 0 0 "[ . 1]" 1
79 1 7 ASP HB2 1 8 ASP HA . . 5.000 4.178 3.737 4.769 . 0 0 "[ . 1]" 1
80 1 7 ASP HB3 1 8 ASP HA . . 5.000 4.061 3.695 4.506 . 0 0 "[ . 1]" 1
81 1 8 ASP HA 1 11 ASP H . . 4.000 3.546 3.250 4.024 0.024 2 0 "[ . 1]" 1
82 1 8 ASP HA 1 11 ASP HB2 . . 5.000 2.598 2.186 3.056 . 0 0 "[ . 1]" 1
83 1 8 ASP HA 1 11 ASP HB3 . . 5.000 3.058 2.428 3.792 . 0 0 "[ . 1]" 1
84 1 8 ASP QB 1 9 LEU H . . 5.600 2.849 2.489 3.418 . 0 0 "[ . 1]" 1
85 1 8 ASP QB 1 11 ASP QB . . 6.000 4.093 3.872 4.284 . 0 0 "[ . 1]" 1
86 1 9 LEU H 1 9 LEU HG . . 5.000 4.217 3.932 4.389 . 0 0 "[ . 1]" 1
87 1 9 LEU H 1 10 GLU QG . . 6.000 4.431 3.667 4.954 . 0 0 "[ . 1]" 1
88 1 9 LEU H 1 11 ASP QB . . 6.000 4.490 4.354 4.676 . 0 0 "[ . 1]" 1
89 1 9 LEU HA 1 12 GLU H . . 4.000 3.868 3.654 4.089 0.089 4 0 "[ . 1]" 1
90 1 9 LEU HA 1 12 GLU HB2 . . 4.000 3.564 3.183 3.982 . 0 0 "[ . 1]" 1
91 1 9 LEU HA 1 12 GLU HB3 . . 4.000 3.767 3.603 3.990 . 0 0 "[ . 1]" 1
92 1 9 LEU HA 2 13 LEU QD . . 7.400 2.763 1.835 3.635 . 0 0 "[ . 1]" 1
93 1 9 LEU QB 1 10 GLU QB . . 6.200 4.268 4.092 4.489 . 0 0 "[ . 1]" 1
94 1 9 LEU QB 1 10 GLU QG . . 6.600 3.097 2.839 3.383 . 0 0 "[ . 1]" 1
95 1 9 LEU QB 1 11 ASP H . . 6.000 4.455 4.344 4.592 . 0 0 "[ . 1]" 1
96 1 9 LEU QB 2 6 ILE HA . . 6.000 5.338 5.207 5.443 . 0 0 "[ . 1]" 1
97 1 9 LEU QB 2 9 LEU QD . . 8.400 2.715 1.859 4.427 . 0 0 "[ . 1]" 1
98 1 9 LEU QB 2 9 LEU HG . . 6.000 4.381 3.212 5.288 . 0 0 "[ . 1]" 1
99 1 9 LEU HB2 1 10 GLU H . . 5.000 3.119 2.284 3.832 . 0 0 "[ . 1]" 1
100 1 9 LEU HB2 2 10 GLU QG . . 6.000 4.572 4.087 5.118 . 0 0 "[ . 1]" 1
101 1 9 LEU HB3 1 10 GLU H . . 5.000 2.387 2.106 2.679 . 0 0 "[ . 1]" 1
102 1 9 LEU HB3 2 10 GLU QG . . 6.000 4.239 3.622 4.598 . 0 0 "[ . 1]" 1
103 1 9 LEU QD 1 10 GLU H . . 7.400 3.624 3.098 3.937 . 0 0 "[ . 1]" 1
104 1 9 LEU QD 2 6 ILE HA . . 7.400 4.394 2.961 5.675 . 0 0 "[ . 1]" 1
105 1 9 LEU QD 2 9 LEU QB . . 8.400 2.518 1.832 4.045 . 0 0 "[ . 1]" 1
106 1 9 LEU QD 2 9 LEU HG . . 7.400 3.799 2.528 5.287 . 0 0 "[ . 1]" 1
107 1 9 LEU QD 2 10 GLU HA . . 7.400 2.163 1.803 3.179 . 0 0 "[ . 1]" 1
108 1 9 LEU QD 2 10 GLU QB . . 8.400 3.049 1.990 3.747 . 0 0 "[ . 1]" 1
109 1 9 LEU QD 2 10 GLU HG2 . . 7.400 2.068 1.672 2.763 . 0 0 "[ . 1]" 1
110 1 9 LEU QD 2 10 GLU QG . . 8.400 2.015 1.658 2.677 . 0 0 "[ . 1]" 1
111 1 9 LEU QD 2 10 GLU HG3 . . 7.400 2.990 1.970 3.785 . 0 0 "[ . 1]" 1
112 1 9 LEU QD 2 13 LEU HB2 . . 7.400 2.971 2.179 4.399 . 0 0 "[ . 1]" 1
113 1 9 LEU QD 2 13 LEU HB3 . . 7.400 3.057 2.076 4.121 . 0 0 "[ . 1]" 1
114 1 9 LEU QD 2 13 LEU HG . . 7.400 3.333 1.879 4.628 . 0 0 "[ . 1]" 1
115 1 9 LEU HG 1 10 GLU H . . 5.000 4.584 3.678 5.000 . 0 0 "[ . 1]" 1
116 1 9 LEU HG 2 9 LEU QB . . 6.000 4.286 3.692 5.023 . 0 0 "[ . 1]" 1
117 1 9 LEU HG 2 9 LEU QD . . 7.400 4.003 3.089 5.022 . 0 0 "[ . 1]" 1
118 1 9 LEU HG 2 10 GLU QG . . 6.000 3.261 1.945 4.338 . 0 0 "[ . 1]" 1
119 1 9 LEU HG 2 13 LEU QD . . 7.400 2.816 1.810 3.939 . 0 0 "[ . 1]" 1
120 1 10 GLU H 1 10 GLU HG2 . . 5.000 2.742 2.123 3.538 . 0 0 "[ . 1]" 1
121 1 10 GLU H 1 10 GLU HG3 . . 5.000 2.256 1.907 3.230 . 0 0 "[ . 1]" 1
122 1 10 GLU H 1 11 ASP H . . 5.000 2.847 2.639 3.095 . 0 0 "[ . 1]" 1
123 1 10 GLU H 1 12 GLU H . . 5.000 4.855 4.701 4.974 . 0 0 "[ . 1]" 1
124 1 10 GLU H 1 13 LEU HB2 . . 5.000 4.470 4.170 4.862 . 0 0 "[ . 1]" 1
125 1 10 GLU H 1 13 LEU HB3 . . 5.000 4.960 4.548 5.113 0.113 3 0 "[ . 1]" 1
126 1 10 GLU HA 1 11 ASP H . . 5.000 3.598 3.546 3.643 . 0 0 "[ . 1]" 1
127 1 10 GLU HA 1 13 LEU H . . 5.000 3.467 3.245 3.647 . 0 0 "[ . 1]" 1
128 1 10 GLU HA 1 13 LEU HB2 . . 4.000 2.703 2.379 3.094 . 0 0 "[ . 1]" 1
129 1 10 GLU HA 1 13 LEU HB3 . . 4.000 2.498 2.134 2.729 . 0 0 "[ . 1]" 1
130 1 10 GLU HA 1 14 TYR H . . 5.000 3.773 3.483 3.938 . 0 0 "[ . 1]" 1
131 1 10 GLU HA 2 9 LEU QD . . 7.400 2.672 1.751 3.791 . 0 0 "[ . 1]" 1
132 1 10 GLU HA 2 13 LEU QD . . 7.400 4.425 3.533 5.162 . 0 0 "[ . 1]" 1
133 1 10 GLU QB 1 14 TYR QB . . 7.000 4.387 4.180 4.744 . 0 0 "[ . 1]" 1
134 1 10 GLU QB 2 9 LEU QD . . 8.400 3.195 2.555 3.918 . 0 0 "[ . 1]" 1
135 1 10 GLU HB2 1 11 ASP H . . 5.000 2.714 2.381 3.033 . 0 0 "[ . 1]" 1
136 1 10 GLU HB3 1 11 ASP H . . 5.000 3.739 3.240 4.231 . 0 0 "[ . 1]" 1
137 1 10 GLU QG 1 11 ASP H . . 6.000 4.007 3.571 4.337 . 0 0 "[ . 1]" 1
138 1 10 GLU QG 1 13 LEU QB . . 7.000 4.015 3.690 4.492 . 0 0 "[ . 1]" 1
139 1 10 GLU QG 2 6 ILE MD . . 7.000 3.872 2.585 4.980 . 0 0 "[ . 1]" 1
140 1 10 GLU QG 2 6 ILE MG . . 7.000 4.639 3.472 5.246 . 0 0 "[ . 1]" 1
141 1 10 GLU QG 2 9 LEU HB2 . . 6.000 4.449 3.934 5.263 . 0 0 "[ . 1]" 1
142 1 10 GLU QG 2 9 LEU HB3 . . 6.000 4.038 2.971 4.696 . 0 0 "[ . 1]" 1
143 1 10 GLU QG 2 9 LEU QD . . 8.400 1.793 1.607 2.282 . 0 0 "[ . 1]" 1
144 1 10 GLU QG 2 9 LEU HG . . 6.000 3.021 1.928 3.903 . 0 0 "[ . 1]" 1
145 1 10 GLU HG2 2 9 LEU QD . . 7.400 1.861 1.708 2.303 . 0 0 "[ . 1]" 1
146 1 10 GLU HG3 2 9 LEU QD . . 7.400 2.656 1.875 3.702 . 0 0 "[ . 1]" 1
147 1 11 ASP H 1 12 GLU QB . . 5.600 4.545 4.327 4.765 . 0 0 "[ . 1]" 1
148 1 11 ASP H 1 13 LEU H . . 5.000 3.735 3.639 3.893 . 0 0 "[ . 1]" 1
149 1 11 ASP H 1 13 LEU HB2 . . 5.000 4.915 4.619 5.038 0.038 5 0 "[ . 1]" 1
150 1 11 ASP H 1 13 LEU HB3 . . 5.000 4.937 4.696 5.054 0.054 5 0 "[ . 1]" 1
151 1 11 ASP HA 1 12 GLU H . . 5.000 3.654 3.649 3.656 . 0 0 "[ . 1]" 1
152 1 11 ASP HA 1 14 TYR CG . . 7.200 4.876 3.908 5.394 . 0 0 "[ . 1]" 1
153 1 11 ASP HA 1 14 TYR QB . . 5.000 3.170 2.560 3.994 . 0 0 "[ . 1]" 1
154 1 11 ASP HA 1 15 ALA H . . 5.000 4.231 4.002 4.363 . 0 0 "[ . 1]" 1
155 1 11 ASP QB 1 12 GLU QB . . 5.200 3.498 3.415 3.573 . 0 0 "[ . 1]" 1
156 1 11 ASP HB2 1 12 GLU H . . 4.000 2.950 2.136 3.501 . 0 0 "[ . 1]" 1
157 1 11 ASP HB3 1 12 GLU H . . 4.000 2.156 1.935 2.834 . 0 0 "[ . 1]" 1
158 1 12 GLU H 1 12 GLU HB2 . . 4.000 2.051 2.018 2.127 . 0 0 "[ . 1]" 1
159 1 12 GLU H 1 12 GLU HB3 . . 4.000 3.111 2.926 3.301 . 0 0 "[ . 1]" 1
160 1 12 GLU H 1 13 LEU H . . 5.000 2.780 2.708 2.896 . 0 0 "[ . 1]" 1
161 1 12 GLU HA 1 13 LEU H . . 5.000 3.537 3.480 3.595 . 0 0 "[ . 1]" 1
162 1 12 GLU HA 1 15 ALA H . . 4.000 3.625 3.427 3.813 . 0 0 "[ . 1]" 1
163 1 12 GLU HA 1 15 ALA MB . . 5.000 2.454 2.161 2.852 . 0 0 "[ . 1]" 1
164 1 12 GLU QB 2 13 LEU QD . . 8.400 2.555 2.129 3.001 . 0 0 "[ . 1]" 1
165 1 12 GLU HB2 1 13 LEU H . . 4.000 3.611 3.435 3.744 . 0 0 "[ . 1]" 1
166 1 12 GLU HB3 1 13 LEU H . . 4.000 3.180 2.764 3.552 . 0 0 "[ . 1]" 1
167 1 12 GLU QG 1 15 ALA MB . . 7.000 3.584 3.271 4.016 . 0 0 "[ . 1]" 1
168 1 12 GLU HG2 2 13 LEU QD . . 7.400 3.966 3.410 4.754 . 0 0 "[ . 1]" 1
169 1 12 GLU HG3 2 13 LEU QD . . 7.400 4.444 3.922 4.968 . 0 0 "[ . 1]" 1
170 1 13 LEU H 1 13 LEU HG . . 5.000 4.316 4.217 4.399 . 0 0 "[ . 1]" 1
171 1 13 LEU H 1 14 TYR H . . 4.000 2.939 2.740 3.061 . 0 0 "[ . 1]" 1
172 1 13 LEU H 1 17 LYS QG . . 6.000 5.441 5.416 5.482 . 0 0 "[ . 1]" 1
173 1 13 LEU HA 1 14 TYR H . . 5.000 3.630 3.618 3.639 . 0 0 "[ . 1]" 1
174 1 13 LEU HA 1 16 GLN H . . 5.000 3.342 3.229 3.480 . 0 0 "[ . 1]" 1
175 1 13 LEU HA 1 16 GLN QB . . 6.000 2.569 2.301 2.874 . 0 0 "[ . 1]" 1
176 1 13 LEU HA 1 16 GLN QG . . 6.000 4.203 3.589 4.503 . 0 0 "[ . 1]" 1
177 1 13 LEU HA 1 17 LYS H . . 5.000 4.375 4.268 4.469 . 0 0 "[ . 1]" 1
178 1 13 LEU HA 1 17 LYS QG . . 6.000 3.789 3.636 3.976 . 0 0 "[ . 1]" 1
179 1 13 LEU HA 2 13 LEU QD . . 7.400 2.474 1.996 3.136 . 0 0 "[ . 1]" 1
180 1 13 LEU QB 1 14 TYR HA . . 5.600 3.948 3.883 4.104 . 0 0 "[ . 1]" 1
181 1 13 LEU QB 1 14 TYR QB . . 6.200 3.689 3.458 3.898 . 0 0 "[ . 1]" 1
182 1 13 LEU QB 1 17 LYS QE . . 7.000 3.585 2.929 3.957 . 0 0 "[ . 1]" 1
183 1 13 LEU QB 2 17 LYS QE . . 7.000 4.936 4.375 5.393 . 0 0 "[ . 1]" 1
184 1 13 LEU HB2 1 14 TYR H . . 5.000 3.485 3.346 3.704 . 0 0 "[ . 1]" 1
185 1 13 LEU HB2 1 17 LYS HE3 . . 5.000 4.827 3.974 5.074 0.074 2 0 "[ . 1]" 1
186 1 13 LEU HB2 2 9 LEU QD . . 7.400 3.669 2.687 5.162 . 0 0 "[ . 1]" 1
187 1 13 LEU HB2 2 13 LEU QD . . 7.400 2.652 1.782 3.308 . 0 0 "[ . 1]" 1
188 1 13 LEU HB2 2 13 LEU HG . . 5.000 3.045 1.991 3.838 . 0 0 "[ . 1]" 1
189 1 13 LEU HB3 1 14 TYR H . . 5.000 2.091 1.884 2.428 . 0 0 "[ . 1]" 1
190 1 13 LEU HB3 1 17 LYS HE2 . . 5.000 4.826 3.920 5.103 0.103 8 0 "[ . 1]" 1
191 1 13 LEU HB3 2 9 LEU QD . . 7.400 3.794 2.685 5.069 . 0 0 "[ . 1]" 1
192 1 13 LEU HB3 2 13 LEU QD . . 7.400 3.882 3.176 4.256 . 0 0 "[ . 1]" 1
193 1 13 LEU HB3 2 13 LEU HG . . 5.000 4.594 3.590 5.107 0.107 9 0 "[ . 1]" 1
194 1 13 LEU QD 1 14 TYR H . . 7.400 2.966 2.398 3.396 . 0 0 "[ . 1]" 1
195 1 13 LEU QD 1 14 TYR HA . . 7.400 3.094 2.618 3.361 . 0 0 "[ . 1]" 1
196 1 13 LEU QD 1 14 TYR QB . . 8.000 3.961 3.585 4.345 . 0 0 "[ . 1]" 1
197 1 13 LEU QD 1 16 GLN H . . 7.400 4.294 3.680 5.107 . 0 0 "[ . 1]" 1
198 1 13 LEU QD 1 16 GLN QB . . 8.400 3.397 2.434 4.251 . 0 0 "[ . 1]" 1
199 1 13 LEU QD 1 17 LYS H . . 7.400 3.876 3.255 4.687 . 0 0 "[ . 1]" 1
200 1 13 LEU QD 1 17 LYS QB . . 8.400 3.952 3.544 4.468 . 0 0 "[ . 1]" 1
201 1 13 LEU QD 1 17 LYS QD . . 8.400 3.054 2.751 3.546 . 0 0 "[ . 1]" 1
202 1 13 LEU QD 1 17 LYS QE . . 8.400 1.669 1.532 1.918 . 0 0 "[ . 1]" 1
203 1 13 LEU QD 1 17 LYS QG . . 8.400 2.270 1.832 2.973 . 0 0 "[ . 1]" 1
204 1 13 LEU QD 2 9 LEU HA . . 7.400 2.824 1.943 3.962 . 0 0 "[ . 1]" 1
205 1 13 LEU QD 2 9 LEU HG . . 7.400 2.623 1.781 4.095 . 0 0 "[ . 1]" 1
206 1 13 LEU QD 2 10 GLU HA . . 7.400 4.502 3.335 5.473 . 0 0 "[ . 1]" 1
207 1 13 LEU QD 2 12 GLU QB . . 8.400 2.654 1.811 3.957 . 0 0 "[ . 1]" 1
208 1 13 LEU QD 2 12 GLU HG2 . . 7.400 3.948 3.391 4.613 . 0 0 "[ . 1]" 1
209 1 13 LEU QD 2 12 GLU HG3 . . 7.400 4.501 3.667 5.392 . 0 0 "[ . 1]" 1
210 1 13 LEU QD 2 13 LEU HA . . 7.400 2.612 1.955 3.607 . 0 0 "[ . 1]" 1
211 1 13 LEU QD 2 13 LEU HB2 . . 7.400 2.547 1.755 3.339 . 0 0 "[ . 1]" 1
212 1 13 LEU QD 2 13 LEU HB3 . . 7.400 3.793 3.119 4.386 . 0 0 "[ . 1]" 1
213 1 13 LEU QD 2 13 LEU HG . . 7.400 2.836 1.939 3.888 . 0 0 "[ . 1]" 1
214 1 13 LEU QD 2 16 GLN QG . . 8.400 3.694 2.646 4.961 . 0 0 "[ . 1]" 1
215 1 13 LEU HG 1 14 TYR H . . 5.000 4.526 4.188 5.077 0.077 9 0 "[ . 1]" 1
216 1 13 LEU HG 1 17 LYS QE . . 6.000 2.920 2.058 3.678 . 0 0 "[ . 1]" 1
217 1 13 LEU HG 2 9 LEU QD . . 7.400 3.906 2.526 5.263 . 0 0 "[ . 1]" 1
218 1 13 LEU HG 2 13 LEU HB2 . . 5.000 3.117 2.150 3.793 . 0 0 "[ . 1]" 1
219 1 13 LEU HG 2 13 LEU HB3 . . 5.000 4.644 3.777 5.118 0.118 7 0 "[ . 1]" 1
220 1 13 LEU HG 2 13 LEU QD . . 7.400 2.899 2.089 3.568 . 0 0 "[ . 1]" 1
221 1 14 TYR CG 1 15 ALA H . . 7.200 4.295 2.573 4.598 . 0 0 "[ . 1]" 1
222 1 14 TYR CG 1 18 LEU QD . . 9.600 4.745 3.634 6.392 . 0 0 "[ . 1]" 1
223 1 14 TYR CZ 1 14 TYR HA . . 6.000 4.915 4.741 6.116 0.116 6 0 "[ . 1]" 1
224 1 14 TYR CZ 1 17 LYS QE . . 8.200 6.814 5.612 7.615 . 0 0 "[ . 1]" 1
225 1 14 TYR H 1 15 ALA H . . 3.000 2.935 2.764 3.005 0.005 2 0 "[ . 1]" 1
226 1 14 TYR H 1 15 ALA MB . . 6.000 4.471 4.281 4.567 . 0 0 "[ . 1]" 1
227 1 14 TYR HA 1 15 ALA H . . 4.000 3.607 3.572 3.629 . 0 0 "[ . 1]" 1
228 1 14 TYR HA 1 17 LYS QB . . 6.000 2.878 2.557 3.121 . 0 0 "[ . 1]" 1
229 1 14 TYR HA 1 17 LYS QD . . 6.000 4.004 3.342 4.391 . 0 0 "[ . 1]" 1
230 1 14 TYR HA 1 17 LYS QE . . 6.000 3.685 2.598 4.267 . 0 0 "[ . 1]" 1
231 1 14 TYR HA 1 18 LEU H . . 5.000 4.199 4.083 4.370 . 0 0 "[ . 1]" 1
232 1 14 TYR QB 1 15 ALA H . . 4.600 2.631 2.420 3.320 . 0 0 "[ . 1]" 1
233 1 14 TYR QB 1 15 ALA HA . . 5.600 3.783 3.610 4.544 . 0 0 "[ . 1]" 1
234 1 14 TYR QB 1 15 ALA MB . . 6.600 3.753 3.543 4.460 . 0 0 "[ . 1]" 1
235 1 14 TYR QB 1 17 LYS QB . . 7.000 4.481 4.176 4.851 . 0 0 "[ . 1]" 1
236 1 14 TYR QB 1 18 LEU H . . 6.000 4.842 4.650 5.095 . 0 0 "[ . 1]" 1
237 1 14 TYR QB 1 18 LEU QD . . 8.400 4.000 3.298 5.246 . 0 0 "[ . 1]" 1
238 1 15 ALA H 1 16 GLN H . . 4.000 2.660 2.597 2.779 . 0 0 "[ . 1]" 1
239 1 15 ALA H 1 17 LYS H . . 4.000 3.902 3.772 4.037 0.037 7 0 "[ . 1]" 1
240 1 15 ALA H 1 18 LEU QD . . 7.400 5.043 4.495 5.418 . 0 0 "[ . 1]" 1
241 1 15 ALA HA 1 16 GLN H . . 5.000 3.611 3.582 3.623 . 0 0 "[ . 1]" 1
242 1 15 ALA HA 1 17 LYS H . . 5.000 4.026 3.919 4.219 . 0 0 "[ . 1]" 1
243 1 15 ALA HA 1 18 LEU H . . 5.000 3.509 3.308 3.650 . 0 0 "[ . 1]" 1
244 1 15 ALA HA 1 18 LEU QB . . 6.000 3.020 2.603 3.230 . 0 0 "[ . 1]" 1
245 1 15 ALA HA 1 18 LEU QD . . 7.400 3.580 3.071 4.115 . 0 0 "[ . 1]" 1
246 1 15 ALA HA 1 19 LYS H . . 5.000 4.012 3.814 4.276 . 0 0 "[ . 1]" 1
247 1 15 ALA MB 1 16 GLN H . . 6.000 2.612 2.454 2.818 . 0 0 "[ . 1]" 1
248 1 15 ALA MB 1 16 GLN HA . . 6.000 3.768 3.692 3.817 . 0 0 "[ . 1]" 1
249 1 15 ALA MB 1 16 GLN HE21 . . 6.000 4.078 3.521 4.701 . 0 0 "[ . 1]" 1
250 1 15 ALA MB 1 16 GLN HE22 . . 6.000 4.033 3.405 4.849 . 0 0 "[ . 1]" 1
251 1 15 ALA MB 1 17 LYS H . . 6.000 4.336 4.255 4.474 . 0 0 "[ . 1]" 1
252 1 15 ALA MB 1 19 LYS HB2 . . 6.000 3.855 3.543 4.457 . 0 0 "[ . 1]" 1
253 1 15 ALA MB 1 19 LYS HB3 . . 6.000 4.445 4.075 4.875 . 0 0 "[ . 1]" 1
254 1 16 GLN H 1 16 GLN QE . . 6.000 3.500 2.811 4.055 . 0 0 "[ . 1]" 1
255 1 16 GLN HA 1 17 LYS H . . 5.000 3.539 3.512 3.586 . 0 0 "[ . 1]" 1
256 1 16 GLN HA 1 19 LYS H . . 4.000 3.356 3.250 3.454 . 0 0 "[ . 1]" 1
257 1 16 GLN HA 1 19 LYS QB . . 5.000 2.138 1.981 2.314 . 0 0 "[ . 1]" 1
258 1 16 GLN HA 1 19 LYS QD . . 6.000 4.541 3.632 5.225 . 0 0 "[ . 1]" 1
259 1 16 GLN QB 1 17 LYS H . . 5.600 2.974 2.805 3.083 . 0 0 "[ . 1]" 1
260 1 16 GLN QB 1 17 LYS HE2 . . 5.600 3.751 1.959 5.024 . 0 0 "[ . 1]" 1
261 1 16 GLN QB 1 17 LYS HE3 . . 5.600 4.679 3.332 5.061 . 0 0 "[ . 1]" 1
262 1 16 GLN QB 2 16 GLN QG . . 7.000 2.355 1.873 2.973 . 0 0 "[ . 1]" 1
263 1 16 GLN QG 1 17 LYS H . . 6.000 4.601 4.353 4.783 . 0 0 "[ . 1]" 1
264 1 16 GLN QG 1 17 LYS QG . . 7.000 4.931 4.698 5.494 . 0 0 "[ . 1]" 1
265 1 16 GLN QG 1 19 LYS QB . . 7.000 3.839 3.472 4.368 . 0 0 "[ . 1]" 1
266 1 16 GLN QG 2 13 LEU QD . . 8.400 3.381 2.267 4.707 . 0 0 "[ . 1]" 1
267 1 16 GLN QG 2 16 GLN QB . . 7.000 2.508 1.866 3.165 . 0 0 "[ . 1]" 1
268 1 17 LYS H 1 17 LYS QD . . 6.000 3.760 2.764 4.062 . 0 0 "[ . 1]" 1
269 1 17 LYS H 1 18 LEU H . . 4.000 2.719 2.664 2.791 . 0 0 "[ . 1]" 1
270 1 17 LYS H 1 18 LEU QD . . 7.400 4.415 3.796 5.158 . 0 0 "[ . 1]" 1
271 1 17 LYS H 1 19 LYS H . . 4.000 3.535 3.416 3.703 . 0 0 "[ . 1]" 1
272 1 17 LYS HA 1 17 LYS QE . . 6.000 4.048 3.622 4.764 . 0 0 "[ . 1]" 1
273 1 17 LYS HA 1 18 LEU H . . 4.000 3.635 3.623 3.640 . 0 0 "[ . 1]" 1
274 1 17 LYS HA 1 19 LYS H . . 4.000 4.020 3.937 4.091 0.091 4 0 "[ . 1]" 1
275 1 17 LYS HA 1 20 TYR H . . 4.000 3.187 3.081 3.253 . 0 0 "[ . 1]" 1
276 1 17 LYS HA 1 20 TYR HB2 . . 5.000 3.290 3.033 3.432 . 0 0 "[ . 1]" 1
277 1 17 LYS HA 1 20 TYR HB3 . . 5.000 2.423 2.242 2.691 . 0 0 "[ . 1]" 1
278 1 17 LYS QB 1 18 LEU QD . . 8.000 3.154 2.269 4.865 . 0 0 "[ . 1]" 1
279 1 17 LYS QB 1 19 LYS H . . 5.000 4.294 4.165 4.429 . 0 0 "[ . 1]" 1
280 1 17 LYS QB 1 20 TYR QB . . 7.000 3.954 3.795 4.059 . 0 0 "[ . 1]" 1
281 1 17 LYS QD 1 20 TYR QB . . 7.000 4.240 3.533 5.252 . 0 0 "[ . 1]" 1
282 1 17 LYS QE 2 13 LEU QB . . 7.000 5.006 4.562 5.464 . 0 0 "[ . 1]" 1
283 1 18 LEU H 1 18 LEU HG . . 5.000 3.836 2.879 4.393 . 0 0 "[ . 1]" 1
284 1 18 LEU H 1 20 TYR H . . 4.000 3.999 3.968 4.047 0.047 10 0 "[ . 1]" 1
285 1 18 LEU H 1 20 TYR QB . . 6.000 4.659 4.588 4.746 . 0 0 "[ . 1]" 1
286 1 18 LEU HA 1 19 LYS H . . 5.000 3.513 3.497 3.530 . 0 0 "[ . 1]" 1
287 1 18 LEU HA 1 20 TYR H . . 4.000 4.089 4.065 4.133 0.133 1 0 "[ . 1]" 1
288 1 18 LEU HA 1 20 TYR QB . . 6.000 4.667 4.599 4.724 . 0 0 "[ . 1]" 1
289 1 18 LEU HA 1 21 LYS H . . 4.000 3.373 3.330 3.432 . 0 0 "[ . 1]" 1
290 1 18 LEU HA 1 21 LYS QB . . 5.000 3.044 2.944 3.159 . 0 0 "[ . 1]" 1
291 1 18 LEU HA 1 21 LYS QD . . 6.000 4.175 3.730 4.632 . 0 0 "[ . 1]" 1
292 1 18 LEU HA 1 22 ALA H . . 4.000 3.865 3.726 3.942 . 0 0 "[ . 1]" 1
293 1 18 LEU HB2 1 19 LYS H . . 5.000 3.494 3.172 4.403 . 0 0 "[ . 1]" 1
294 1 18 LEU HB3 1 19 LYS H . . 5.000 3.642 3.162 3.887 . 0 0 "[ . 1]" 1
295 1 18 LEU QD 1 19 LYS H . . 7.400 3.917 2.906 4.298 . 0 0 "[ . 1]" 1
296 1 18 LEU QD 1 21 LYS QB . . 8.400 4.268 3.373 4.788 . 0 0 "[ . 1]" 1
297 1 18 LEU QD 1 21 LYS QD . . 8.400 4.466 3.402 5.218 . 0 0 "[ . 1]" 1
298 1 18 LEU QD 1 21 LYS QE . . 8.400 4.778 3.751 5.272 . 0 0 "[ . 1]" 1
299 1 18 LEU QD 1 22 ALA MB . . 8.400 3.992 2.876 4.439 . 0 0 "[ . 1]" 1
300 1 19 LYS H 1 19 LYS QB . . 3.600 2.239 2.195 2.256 . 0 0 "[ . 1]" 1
301 1 19 LYS H 1 20 TYR QB . . 5.600 3.873 3.833 3.955 . 0 0 "[ . 1]" 1
302 1 19 LYS QB 1 20 TYR H . . 4.600 2.982 2.944 3.021 . 0 0 "[ . 1]" 1
303 1 19 LYS QB 1 22 ALA MB . . 7.000 4.039 3.978 4.074 . 0 0 "[ . 1]" 1
304 1 19 LYS QB 2 20 TYR CG . . 8.200 5.356 4.784 5.694 . 0 0 "[ . 1]" 1
305 1 19 LYS QB 2 20 TYR CZ . . 8.200 5.429 4.445 6.130 . 0 0 "[ . 1]" 1
306 1 19 LYS QG 1 23 ILE MG . . 7.000 3.439 3.176 3.738 . 0 0 "[ . 1]" 1
307 1 20 TYR CG 2 19 LYS QB . . 8.200 5.401 4.507 6.546 . 0 0 "[ . 1]" 1
308 1 20 TYR CG 2 20 TYR HA . . 7.200 6.335 5.861 6.836 . 0 0 "[ . 1]" 1
309 1 20 TYR CG 2 23 ILE MG . . 8.200 5.281 4.953 5.488 . 0 0 "[ . 1]" 1
310 1 20 TYR CZ 1 20 TYR HA . . 6.000 5.385 5.185 5.502 . 0 0 "[ . 1]" 1
311 1 20 TYR CZ 2 19 LYS QB . . 8.200 5.709 4.494 7.137 . 0 0 "[ . 1]" 1
312 1 20 TYR CZ 2 23 ILE MD . . 8.200 4.677 4.266 4.989 . 0 0 "[ . 1]" 1
313 1 20 TYR CZ 2 23 ILE MG . . 8.200 6.369 5.946 6.689 . 0 0 "[ . 1]" 1
314 1 20 TYR H 1 20 TYR HB2 . . 4.000 2.651 2.413 2.786 . 0 0 "[ . 1]" 1
315 1 20 TYR H 1 20 TYR HB3 . . 4.000 2.056 1.961 2.244 . 0 0 "[ . 1]" 1
316 1 20 TYR H 1 23 ILE MG . . 6.000 3.898 3.826 3.964 . 0 0 "[ . 1]" 1
317 1 20 TYR HA 1 21 LYS H . . 5.000 3.590 3.578 3.602 . 0 0 "[ . 1]" 1
318 1 20 TYR HA 1 22 ALA H . . 5.000 4.440 4.377 4.486 . 0 0 "[ . 1]" 1
319 1 20 TYR HA 1 23 ILE H . . 5.000 3.546 3.524 3.608 . 0 0 "[ . 1]" 1
320 1 20 TYR HA 1 23 ILE HB . . 4.000 3.796 3.735 3.935 . 0 0 "[ . 1]" 1
321 1 20 TYR HA 1 23 ILE MG . . 6.000 1.902 1.856 1.990 . 0 0 "[ . 1]" 1
322 1 20 TYR HA 1 24 SER H . . 5.000 3.855 3.787 3.955 . 0 0 "[ . 1]" 1
323 1 20 TYR HA 2 20 TYR CG . . 7.200 6.327 5.979 6.793 . 0 0 "[ . 1]" 1
324 1 20 TYR QB 1 21 LYS H . . 4.600 2.657 2.517 2.780 . 0 0 "[ . 1]" 1
325 1 20 TYR QB 1 22 ALA H . . 6.000 4.551 4.447 4.659 . 0 0 "[ . 1]" 1
326 1 20 TYR HB2 1 23 ILE MG . . 6.000 3.933 3.834 4.081 . 0 0 "[ . 1]" 1
327 1 20 TYR HB3 1 23 ILE MG . . 6.000 4.321 4.267 4.361 . 0 0 "[ . 1]" 1
328 1 21 LYS H 1 22 ALA H . . 5.000 2.297 2.284 2.317 . 0 0 "[ . 1]" 1
329 1 21 LYS H 1 23 ILE MG . . 6.000 3.876 3.803 3.974 . 0 0 "[ . 1]" 1
330 1 21 LYS HA 1 22 ALA H . . 4.000 3.560 3.548 3.569 . 0 0 "[ . 1]" 1
331 1 21 LYS HA 1 23 ILE H . . 4.000 4.086 4.065 4.119 0.119 7 0 "[ . 1]" 1
332 1 21 LYS HA 1 24 SER H . . 5.000 3.273 3.219 3.315 . 0 0 "[ . 1]" 1
333 1 21 LYS HA 1 24 SER QB . . 5.000 2.792 2.450 3.315 . 0 0 "[ . 1]" 1
334 1 21 LYS HA 1 25 GLU H . . 5.000 3.739 3.688 3.776 . 0 0 "[ . 1]" 1
335 1 21 LYS HA 1 25 GLU QB . . 5.000 4.406 4.315 4.526 . 0 0 "[ . 1]" 1
336 1 21 LYS QB 1 22 ALA H . . 3.600 2.901 2.854 2.971 . 0 0 "[ . 1]" 1
337 1 21 LYS QB 1 22 ALA HA . . 5.600 4.267 4.137 4.386 . 0 0 "[ . 1]" 1
338 1 21 LYS QB 1 22 ALA MB . . 6.600 3.970 3.885 4.059 . 0 0 "[ . 1]" 1
339 1 21 LYS QE 1 22 ALA MB . . 7.000 4.526 3.657 5.112 . 0 0 "[ . 1]" 1
340 1 21 LYS QE 1 25 GLU HB2 . . 6.000 3.890 3.418 4.784 . 0 0 "[ . 1]" 1
341 1 21 LYS QE 1 25 GLU HB3 . . 6.000 4.620 4.151 5.211 . 0 0 "[ . 1]" 1
342 1 21 LYS QE 1 25 GLU QG . . 7.000 4.768 4.185 5.288 . 0 0 "[ . 1]" 1
343 1 21 LYS QG 1 25 GLU QB . . 7.000 3.277 3.080 3.626 . 0 0 "[ . 1]" 1
344 1 21 LYS QG 1 25 GLU QG . . 7.000 5.029 4.784 5.249 . 0 0 "[ . 1]" 1
345 1 22 ALA H 1 23 ILE H . . 4.000 2.460 2.429 2.488 . 0 0 "[ . 1]" 1
346 1 22 ALA H 1 23 ILE MG . . 6.000 3.772 3.687 3.854 . 0 0 "[ . 1]" 1
347 1 22 ALA H 1 25 GLU H . . 5.000 4.736 4.692 4.796 . 0 0 "[ . 1]" 1
348 1 22 ALA HA 1 23 ILE H . . 4.000 3.553 3.545 3.563 . 0 0 "[ . 1]" 1
349 1 22 ALA HA 1 25 GLU H . . 5.000 3.716 3.691 3.742 . 0 0 "[ . 1]" 1
350 1 22 ALA HA 1 25 GLU HB2 . . 5.000 3.962 3.721 4.286 . 0 0 "[ . 1]" 1
351 1 22 ALA HA 1 25 GLU HB3 . . 5.000 3.181 3.107 3.260 . 0 0 "[ . 1]" 1
352 1 22 ALA HA 1 26 GLU H . . 5.000 3.683 3.499 3.865 . 0 0 "[ . 1]" 1
353 1 22 ALA HA 1 26 GLU QB . . 6.000 4.075 3.849 4.252 . 0 0 "[ . 1]" 1
354 1 22 ALA MB 1 23 ILE H . . 5.000 2.822 2.785 2.858 . 0 0 "[ . 1]" 1
355 1 22 ALA MB 1 23 ILE HA . . 6.000 3.945 3.931 3.956 . 0 0 "[ . 1]" 1
356 1 22 ALA MB 1 23 ILE HB . . 6.000 3.940 3.910 3.985 . 0 0 "[ . 1]" 1
357 1 23 ILE H 1 23 ILE HB . . 4.000 2.486 2.447 2.516 . 0 0 "[ . 1]" 1
358 1 23 ILE H 1 23 ILE HG12 . . 5.000 4.515 4.384 4.573 . 0 0 "[ . 1]" 1
359 1 23 ILE H 1 23 ILE HG13 . . 5.000 4.419 4.353 4.637 . 0 0 "[ . 1]" 1
360 1 23 ILE H 1 24 SER H . . 4.000 2.430 2.390 2.464 . 0 0 "[ . 1]" 1
361 1 23 ILE H 1 24 SER HA . . 5.000 4.977 4.947 5.004 0.004 9 0 "[ . 1]" 1
362 1 23 ILE H 1 24 SER QB . . 5.600 4.310 4.110 4.605 . 0 0 "[ . 1]" 1
363 1 23 ILE H 1 25 GLU H . . 4.000 3.991 3.923 4.075 0.075 8 0 "[ . 1]" 1
364 1 23 ILE HA 1 24 SER H . . 4.000 3.613 3.602 3.621 . 0 0 "[ . 1]" 1
365 1 23 ILE HA 1 26 GLU H . . 4.000 3.481 3.307 3.609 . 0 0 "[ . 1]" 1
366 1 23 ILE HA 1 26 GLU HB2 . . 4.000 3.501 3.222 3.761 . 0 0 "[ . 1]" 1
367 1 23 ILE HA 1 26 GLU HB3 . . 4.000 2.529 2.409 2.845 . 0 0 "[ . 1]" 1
368 1 23 ILE HA 1 27 LEU H . . 5.000 3.837 3.594 4.042 . 0 0 "[ . 1]" 1
369 1 23 ILE HA 2 27 LEU QD . . 7.400 3.420 3.035 3.968 . 0 0 "[ . 1]" 1
370 1 23 ILE HB 1 24 SER H . . 4.000 3.839 3.794 3.890 . 0 0 "[ . 1]" 1
371 1 23 ILE HB 2 23 ILE MD . . 6.000 4.748 4.544 4.969 . 0 0 "[ . 1]" 1
372 1 23 ILE HB 2 23 ILE QG . . 6.000 4.250 3.747 4.900 . 0 0 "[ . 1]" 1
373 1 23 ILE HB 2 23 ILE MG . . 6.000 3.949 3.786 4.229 . 0 0 "[ . 1]" 1
374 1 23 ILE MD 1 24 SER H . . 6.000 4.550 3.241 4.948 . 0 0 "[ . 1]" 1
375 1 23 ILE MD 2 20 TYR CZ . . 8.200 5.114 4.351 6.858 . 0 0 "[ . 1]" 1
376 1 23 ILE MD 2 23 ILE HB . . 6.000 4.526 4.151 4.782 . 0 0 "[ . 1]" 1
377 1 23 ILE MD 2 23 ILE HG12 . . 6.000 2.887 1.825 3.519 . 0 0 "[ . 1]" 1
378 1 23 ILE MD 2 23 ILE HG13 . . 6.000 3.885 2.273 4.855 . 0 0 "[ . 1]" 1
379 1 23 ILE MD 2 23 ILE MG . . 7.000 2.225 1.958 2.961 . 0 0 "[ . 1]" 1
380 1 23 ILE MD 2 24 SER HB2 . . 6.000 3.403 2.367 4.815 . 0 0 "[ . 1]" 1
381 1 23 ILE MD 2 24 SER HB3 . . 6.000 4.045 2.834 4.800 . 0 0 "[ . 1]" 1
382 1 23 ILE MD 2 27 LEU MD1 . . 7.000 2.750 1.649 3.433 . 0 0 "[ . 1]" 1
383 1 23 ILE MD 2 27 LEU MD2 . . 7.000 4.051 1.780 4.685 . 0 0 "[ . 1]" 1
384 1 23 ILE QG 1 27 LEU H . . 6.000 4.400 4.138 5.141 . 0 0 "[ . 1]" 1
385 1 23 ILE QG 1 27 LEU QD . . 8.400 3.611 3.153 4.536 . 0 0 "[ . 1]" 1
386 1 23 ILE QG 2 23 ILE HB . . 6.000 4.712 4.578 5.019 . 0 0 "[ . 1]" 1
387 1 23 ILE QG 2 27 LEU QD . . 8.400 2.117 1.690 2.743 . 0 0 "[ . 1]" 1
388 1 23 ILE HG12 2 23 ILE MD . . 6.000 3.758 3.201 5.008 . 0 0 "[ . 1]" 1
389 1 23 ILE HG12 2 23 ILE HG13 . . 5.000 3.751 2.676 5.003 0.003 10 0 "[ . 1]" 1
390 1 23 ILE HG12 2 23 ILE MG . . 6.000 3.019 2.400 4.220 . 0 0 "[ . 1]" 1
391 1 23 ILE HG13 2 23 ILE MD . . 6.000 4.649 3.989 4.953 . 0 0 "[ . 1]" 1
392 1 23 ILE HG13 2 23 ILE HG12 . . 5.000 3.591 2.428 4.087 . 0 0 "[ . 1]" 1
393 1 23 ILE HG13 2 23 ILE MG . . 6.000 3.711 2.168 4.383 . 0 0 "[ . 1]" 1
394 1 23 ILE MG 1 24 SER H . . 6.000 1.988 1.922 2.078 . 0 0 "[ . 1]" 1
395 1 23 ILE MG 1 24 SER HA . . 6.000 3.040 2.935 3.131 . 0 0 "[ . 1]" 1
396 1 23 ILE MG 1 24 SER HB2 . . 6.000 3.652 3.052 4.402 . 0 0 "[ . 1]" 1
397 1 23 ILE MG 1 24 SER HB3 . . 6.000 3.691 3.083 4.380 . 0 0 "[ . 1]" 1
398 1 23 ILE MG 1 27 LEU QB . . 7.000 4.027 3.903 4.232 . 0 0 "[ . 1]" 1
399 1 23 ILE MG 2 20 TYR CG . . 8.200 5.439 5.085 5.872 . 0 0 "[ . 1]" 1
400 1 23 ILE MG 2 20 TYR CZ . . 8.200 6.313 5.781 6.622 . 0 0 "[ . 1]" 1
401 1 23 ILE MG 2 23 ILE HB . . 6.000 3.767 3.555 4.151 . 0 0 "[ . 1]" 1
402 1 23 ILE MG 2 23 ILE MD . . 7.000 2.112 1.977 2.409 . 0 0 "[ . 1]" 1
403 1 23 ILE MG 2 23 ILE HG12 . . 6.000 2.157 1.795 2.879 . 0 0 "[ . 1]" 1
404 1 23 ILE MG 2 23 ILE HG13 . . 6.000 3.510 3.132 4.166 . 0 0 "[ . 1]" 1
405 1 24 SER HA 1 25 GLU H . . 5.000 3.623 3.614 3.631 . 0 0 "[ . 1]" 1
406 1 24 SER HB2 2 23 ILE MD . . 6.000 3.203 2.234 4.133 . 0 0 "[ . 1]" 1
407 1 24 SER HB3 2 23 ILE MD . . 6.000 3.556 2.539 4.507 . 0 0 "[ . 1]" 1
408 1 25 GLU H 1 26 GLU H . . 5.000 2.683 2.625 2.760 . 0 0 "[ . 1]" 1
409 1 25 GLU HA 1 26 GLU H . . 4.000 3.633 3.620 3.642 . 0 0 "[ . 1]" 1
410 1 25 GLU HA 1 27 LEU H . . 5.000 3.946 3.827 4.107 . 0 0 "[ . 1]" 1
411 1 25 GLU HA 1 28 ASP H . . 5.000 3.513 3.437 3.584 . 0 0 "[ . 1]" 1
412 1 25 GLU HA 1 28 ASP HB2 . . 4.000 2.939 2.846 3.072 . 0 0 "[ . 1]" 1
413 1 25 GLU HA 1 28 ASP HB3 . . 4.000 4.076 4.010 4.171 0.171 7 0 "[ . 1]" 1
414 1 25 GLU HA 1 29 HIS H . . 5.000 3.873 3.815 3.959 . 0 0 "[ . 1]" 1
415 1 25 GLU QB 1 26 GLU QB . . 5.200 3.786 3.657 3.834 . 0 0 "[ . 1]" 1
416 1 25 GLU QB 1 27 LEU H . . 6.000 4.407 4.249 4.523 . 0 0 "[ . 1]" 1
417 1 25 GLU HB2 1 26 GLU H . . 5.000 3.692 3.543 3.769 . 0 0 "[ . 1]" 1
418 1 25 GLU HB3 1 26 GLU H . . 5.000 2.418 2.260 2.547 . 0 0 "[ . 1]" 1
419 1 25 GLU QG 1 26 GLU HA . . 6.000 3.913 3.540 4.163 . 0 0 "[ . 1]" 1
420 1 25 GLU QG 1 28 ASP HB2 . . 6.000 4.333 4.055 4.871 . 0 0 "[ . 1]" 1
421 1 25 GLU QG 1 28 ASP HB3 . . 6.000 4.616 4.324 5.200 . 0 0 "[ . 1]" 1
422 1 25 GLU HG2 1 26 GLU H . . 5.000 4.206 3.877 4.495 . 0 0 "[ . 1]" 1
423 1 25 GLU HG2 1 29 HIS QB . . 6.000 3.990 2.931 4.832 . 0 0 "[ . 1]" 1
424 1 25 GLU HG3 1 26 GLU H . . 5.000 4.332 3.650 4.934 . 0 0 "[ . 1]" 1
425 1 25 GLU HG3 1 29 HIS QB . . 6.000 3.750 3.176 4.881 . 0 0 "[ . 1]" 1
426 1 26 GLU H 1 26 GLU HB2 . . 4.000 2.328 2.164 2.430 . 0 0 "[ . 1]" 1
427 1 26 GLU H 1 26 GLU HB3 . . 4.000 2.633 2.517 2.840 . 0 0 "[ . 1]" 1
428 1 26 GLU H 1 26 GLU HG2 . . 5.000 4.520 4.413 4.590 . 0 0 "[ . 1]" 1
429 1 26 GLU H 1 26 GLU HG3 . . 5.000 4.296 4.131 4.389 . 0 0 "[ . 1]" 1
430 1 26 GLU H 1 27 LEU H . . 4.000 2.720 2.662 2.745 . 0 0 "[ . 1]" 1
431 1 26 GLU H 1 27 LEU QB . . 5.600 4.388 4.331 4.426 . 0 0 "[ . 1]" 1
432 1 26 GLU HA 1 27 LEU H . . 5.000 3.529 3.500 3.562 . 0 0 "[ . 1]" 1
433 1 26 GLU HA 1 28 ASP H . . 5.000 5.024 4.969 5.073 0.073 3 0 "[ . 1]" 1
434 1 26 GLU HA 1 29 HIS H . . 5.000 3.554 3.463 3.594 . 0 0 "[ . 1]" 1
435 1 26 GLU HA 1 29 HIS QB . . 5.000 2.539 2.332 2.688 . 0 0 "[ . 1]" 1
436 1 26 GLU QB 2 27 LEU MD1 . . 7.000 3.405 3.000 4.797 . 0 0 "[ . 1]" 1
437 1 26 GLU QB 2 27 LEU MD2 . . 7.000 4.722 3.827 4.921 . 0 0 "[ . 1]" 1
438 1 26 GLU HB2 1 27 LEU H . . 4.000 4.037 3.945 4.079 0.079 10 0 "[ . 1]" 1
439 1 26 GLU HB3 1 27 LEU H . . 4.000 3.033 2.885 3.180 . 0 0 "[ . 1]" 1
440 1 26 GLU QG 2 27 LEU QD . . 8.400 3.417 2.848 3.875 . 0 0 "[ . 1]" 1
441 1 26 GLU HG2 1 29 HIS QB . . 6.000 4.873 4.353 5.289 . 0 0 "[ . 1]" 1
442 1 26 GLU HG2 1 30 ALA MB . . 6.000 3.305 2.981 3.733 . 0 0 "[ . 1]" 1
443 1 26 GLU HG2 2 27 LEU QD . . 7.400 3.516 2.923 4.005 . 0 0 "[ . 1]" 1
444 1 26 GLU HG3 1 29 HIS QB . . 6.000 3.999 3.747 4.503 . 0 0 "[ . 1]" 1
445 1 26 GLU HG3 1 30 ALA MB . . 6.000 3.850 3.356 4.468 . 0 0 "[ . 1]" 1
446 1 26 GLU HG3 2 27 LEU QD . . 7.400 4.659 3.927 5.155 . 0 0 "[ . 1]" 1
447 1 27 LEU H 1 27 LEU HG . . 5.000 4.283 3.911 4.481 . 0 0 "[ . 1]" 1
448 1 27 LEU H 1 28 ASP H . . 4.000 2.734 2.660 2.828 . 0 0 "[ . 1]" 1
449 1 27 LEU H 1 29 HIS H . . 4.000 3.714 3.645 3.797 . 0 0 "[ . 1]" 1
450 1 27 LEU HA 1 28 ASP H . . 4.000 3.639 3.639 3.640 . 0 0 "[ . 1]" 1
451 1 27 LEU HA 1 29 HIS H . . 5.000 4.303 4.240 4.379 . 0 0 "[ . 1]" 1
452 1 27 LEU HA 1 30 ALA H . . 5.000 3.144 3.097 3.271 . 0 0 "[ . 1]" 1
453 1 27 LEU HA 1 31 LEU H . . 5.000 4.282 4.173 4.408 . 0 0 "[ . 1]" 1
454 1 27 LEU HA 2 27 LEU QB . . 6.000 4.428 4.054 4.881 . 0 0 "[ . 1]" 1
455 1 27 LEU HA 2 27 LEU MD1 . . 6.000 2.341 1.953 2.858 . 0 0 "[ . 1]" 1
456 1 27 LEU HA 2 27 LEU MD2 . . 6.000 3.289 2.819 4.024 . 0 0 "[ . 1]" 1
457 1 27 LEU QB 1 29 HIS H . . 5.000 4.498 4.429 4.591 . 0 0 "[ . 1]" 1
458 1 27 LEU QB 1 30 ALA MB . . 7.000 3.891 3.797 4.033 . 0 0 "[ . 1]" 1
459 1 27 LEU QB 2 27 LEU HA . . 6.000 4.049 3.599 4.690 . 0 0 "[ . 1]" 1
460 1 27 LEU QB 2 27 LEU QD . . 8.400 1.907 1.790 2.043 . 0 0 "[ . 1]" 1
461 1 27 LEU QB 2 27 LEU HG . . 6.000 2.789 1.968 4.135 . 0 0 "[ . 1]" 1
462 1 27 LEU HB2 1 28 ASP H . . 4.000 3.808 3.542 3.934 . 0 0 "[ . 1]" 1
463 1 27 LEU HB2 2 27 LEU QD . . 7.400 1.921 1.799 2.056 . 0 0 "[ . 1]" 1
464 1 27 LEU HB3 1 28 ASP H . . 4.000 2.426 2.275 2.682 . 0 0 "[ . 1]" 1
465 1 27 LEU HB3 2 27 LEU QD . . 7.400 3.241 3.052 3.517 . 0 0 "[ . 1]" 1
466 1 27 LEU QD 1 28 ASP H . . 7.400 2.811 2.177 3.453 . 0 0 "[ . 1]" 1
467 1 27 LEU QD 2 23 ILE HA . . 7.400 3.743 3.410 4.347 . 0 0 "[ . 1]" 1
468 1 27 LEU QD 2 23 ILE QG . . 8.400 2.451 2.020 3.005 . 0 0 "[ . 1]" 1
469 1 27 LEU QD 2 26 GLU HG2 . . 7.400 3.486 2.840 3.799 . 0 0 "[ . 1]" 1
470 1 27 LEU QD 2 26 GLU QG . . 8.400 3.381 2.760 3.695 . 0 0 "[ . 1]" 1
471 1 27 LEU QD 2 26 GLU HG3 . . 7.400 4.561 3.761 5.050 . 0 0 "[ . 1]" 1
472 1 27 LEU QD 2 27 LEU HB2 . . 7.400 2.096 1.816 2.737 . 0 0 "[ . 1]" 1
473 1 27 LEU QD 2 27 LEU QB . . 8.400 2.073 1.807 2.672 . 0 0 "[ . 1]" 1
474 1 27 LEU QD 2 27 LEU HB3 . . 7.400 3.392 3.205 3.730 . 0 0 "[ . 1]" 1
475 1 27 LEU MD1 2 23 ILE MD . . 7.000 3.719 2.891 4.798 . 0 0 "[ . 1]" 1
476 1 27 LEU MD1 2 26 GLU QB . . 7.000 3.639 2.913 4.804 . 0 0 "[ . 1]" 1
477 1 27 LEU MD1 2 27 LEU HA . . 6.000 2.004 1.837 2.356 . 0 0 "[ . 1]" 1
478 1 27 LEU MD1 2 27 LEU HG . . 6.000 2.600 1.838 4.171 . 0 0 "[ . 1]" 1
479 1 27 LEU MD1 2 30 ALA MB . . 7.000 2.743 2.190 3.408 . 0 0 "[ . 1]" 1
480 1 27 LEU MD2 2 23 ILE MD . . 7.000 3.793 2.444 4.559 . 0 0 "[ . 1]" 1
481 1 27 LEU MD2 2 26 GLU QB . . 7.000 4.381 3.349 4.883 . 0 0 "[ . 1]" 1
482 1 27 LEU MD2 2 27 LEU HA . . 6.000 3.363 2.150 4.202 . 0 0 "[ . 1]" 1
483 1 27 LEU MD2 2 27 LEU HG . . 6.000 3.598 2.482 4.447 . 0 0 "[ . 1]" 1
484 1 27 LEU MD2 2 30 ALA MB . . 7.000 3.164 2.704 4.089 . 0 0 "[ . 1]" 1
485 1 27 LEU HG 1 28 ASP H . . 5.000 3.690 2.382 4.728 . 0 0 "[ . 1]" 1
486 1 27 LEU HG 2 27 LEU QB . . 6.000 3.915 2.671 5.235 . 0 0 "[ . 1]" 1
487 1 27 LEU HG 2 27 LEU MD1 . . 6.000 3.470 1.956 4.559 . 0 0 "[ . 1]" 1
488 1 27 LEU HG 2 27 LEU MD2 . . 6.000 4.115 3.451 4.933 . 0 0 "[ . 1]" 1
489 1 28 ASP H 1 30 ALA H . . 4.000 3.980 3.890 4.077 0.077 7 0 "[ . 1]" 1
490 1 28 ASP HA 1 29 HIS H . . 4.000 3.603 3.596 3.610 . 0 0 "[ . 1]" 1
491 1 28 ASP HA 1 31 LEU HB2 . . 4.000 3.483 2.745 3.933 . 0 0 "[ . 1]" 1
492 1 28 ASP HA 1 31 LEU HB3 . . 4.000 3.949 3.560 4.088 0.088 7 0 "[ . 1]" 1
493 1 28 ASP HA 1 32 LYS H . . 4.000 4.020 3.927 4.080 0.080 8 0 "[ . 1]" 1
494 1 28 ASP QB 1 32 LYS QD . . 7.000 3.967 2.702 4.846 . 0 0 "[ . 1]" 1
495 1 28 ASP HB2 1 29 HIS H . . 3.000 3.067 3.023 3.111 0.111 5 0 "[ . 1]" 1
496 1 28 ASP HB2 1 29 HIS HA . . 5.000 4.952 4.898 4.986 . 0 0 "[ . 1]" 1
497 1 28 ASP HB2 1 29 HIS QB . . 5.600 4.587 4.473 4.686 . 0 0 "[ . 1]" 1
498 1 28 ASP HB2 1 32 LYS QB . . 6.000 5.277 5.246 5.316 . 0 0 "[ . 1]" 1
499 1 28 ASP HB3 1 29 HIS H . . 3.000 3.044 3.008 3.108 0.108 3 0 "[ . 1]" 1
500 1 28 ASP HB3 1 29 HIS HA . . 5.000 3.809 3.789 3.837 . 0 0 "[ . 1]" 1
501 1 28 ASP HB3 1 29 HIS QB . . 5.600 4.351 4.193 4.538 . 0 0 "[ . 1]" 1
502 1 28 ASP HB3 1 32 LYS QB . . 6.000 3.854 3.808 3.896 . 0 0 "[ . 1]" 1
503 1 29 HIS H 1 30 ALA H . . 4.000 2.461 2.383 2.522 . 0 0 "[ . 1]" 1
504 1 29 HIS H 1 31 LEU H . . 4.000 4.058 3.992 4.122 0.122 10 0 "[ . 1]" 1
505 1 29 HIS HA 1 29 HIS HD2 . . 5.000 2.899 2.271 4.283 . 0 0 "[ . 1]" 1
506 1 29 HIS HA 1 30 ALA H . . 5.000 3.554 3.525 3.590 . 0 0 "[ . 1]" 1
507 1 29 HIS HA 1 32 LYS H . . 5.000 3.039 2.946 3.139 . 0 0 "[ . 1]" 1
508 1 29 HIS HA 1 32 LYS QB . . 5.000 2.151 2.003 2.357 . 0 0 "[ . 1]" 1
509 1 29 HIS HA 1 32 LYS QD . . 6.000 3.759 3.071 4.378 . 0 0 "[ . 1]" 1
510 1 29 HIS HA 1 32 LYS QG . . 6.000 4.137 3.817 4.490 . 0 0 "[ . 1]" 1
511 1 29 HIS HA 1 33 ASP H . . 5.000 3.599 3.411 3.807 . 0 0 "[ . 1]" 1
512 1 29 HIS HA 1 33 ASP QB . . 6.000 4.340 4.192 4.599 . 0 0 "[ . 1]" 1
513 1 29 HIS QB 1 30 ALA H . . 4.600 2.959 2.840 3.058 . 0 0 "[ . 1]" 1
514 1 29 HIS QB 1 30 ALA HA . . 4.600 3.900 3.824 3.954 . 0 0 "[ . 1]" 1
515 1 29 HIS QB 1 30 ALA MB . . 6.600 4.045 3.964 4.120 . 0 0 "[ . 1]" 1
516 1 29 HIS QB 1 32 LYS QB . . 7.000 4.055 3.930 4.222 . 0 0 "[ . 1]" 1
517 1 29 HIS QB 1 33 ASP QB . . 7.000 4.005 3.762 4.313 . 0 0 "[ . 1]" 1
518 1 30 ALA H 1 31 LEU QB . . 5.600 4.347 4.222 4.447 . 0 0 "[ . 1]" 1
519 1 30 ALA H 1 32 LYS H . . 4.000 3.944 3.687 4.043 0.043 1 0 "[ . 1]" 1
520 1 30 ALA HA 1 33 ASP H . . 4.000 3.723 3.362 3.864 . 0 0 "[ . 1]" 1
521 1 30 ALA HA 1 33 ASP HB2 . . 4.000 3.686 3.185 4.081 0.081 2 0 "[ . 1]" 1
522 1 30 ALA HA 1 33 ASP HB3 . . 4.000 3.220 2.668 3.601 . 0 0 "[ . 1]" 1
523 1 30 ALA HA 1 34 MET H . . 5.000 4.698 4.362 5.094 0.094 6 0 "[ . 1]" 1
524 1 30 ALA MB 1 31 LEU H . . 5.000 2.774 2.704 2.860 . 0 0 "[ . 1]" 1
525 1 30 ALA MB 2 27 LEU MD1 . . 7.000 3.305 2.511 3.684 . 0 0 "[ . 1]" 1
526 1 30 ALA MB 2 27 LEU MD2 . . 7.000 3.050 2.710 3.718 . 0 0 "[ . 1]" 1
527 1 30 ALA MB 2 31 LEU QB . . 7.000 3.797 2.902 4.279 . 0 0 "[ . 1]" 1
528 1 30 ALA MB 2 31 LEU MD1 . . 7.000 2.474 1.814 3.639 . 0 0 "[ . 1]" 1
529 1 30 ALA MB 2 31 LEU MD2 . . 7.000 4.094 1.949 4.662 . 0 0 "[ . 1]" 1
530 1 30 ALA MB 2 31 LEU HG . . 6.000 3.534 2.808 4.025 . 0 0 "[ . 1]" 1
531 1 31 LEU H 1 31 LEU HG . . 5.000 4.183 3.856 4.330 . 0 0 "[ . 1]" 1
532 1 31 LEU H 1 32 LYS H . . 4.000 2.323 2.267 2.366 . 0 0 "[ . 1]" 1
533 1 31 LEU HA 1 32 LYS H . . 4.000 3.589 3.526 3.613 . 0 0 "[ . 1]" 1
534 1 31 LEU HA 1 33 ASP H . . 4.000 4.073 4.013 4.126 0.126 4 0 "[ . 1]" 1
535 1 31 LEU HA 1 33 ASP QB . . 6.000 4.652 4.412 4.928 . 0 0 "[ . 1]" 1
536 1 31 LEU HA 1 34 MET QG . . 6.000 4.010 2.818 4.695 . 0 0 "[ . 1]" 1
537 1 31 LEU HA 2 31 LEU MD1 . . 6.000 4.175 2.667 4.932 . 0 0 "[ . 1]" 1
538 1 31 LEU HA 2 31 LEU MD2 . . 6.000 4.437 2.361 5.013 . 0 0 "[ . 1]" 1
539 1 31 LEU HA 2 31 LEU HG . . 5.000 3.945 3.723 4.480 . 0 0 "[ . 1]" 1
540 1 31 LEU HA 2 34 MET ME . . 6.000 3.412 2.662 4.218 . 0 0 "[ . 1]" 1
541 1 31 LEU QB 2 30 ALA MB . . 7.000 3.801 3.188 4.127 . 0 0 "[ . 1]" 1
542 1 31 LEU QB 2 31 LEU HG . . 6.000 5.056 4.359 5.267 . 0 0 "[ . 1]" 1
543 1 31 LEU HB2 1 32 LYS H . . 4.000 3.442 3.282 3.733 . 0 0 "[ . 1]" 1
544 1 31 LEU HB2 2 34 MET ME . . 6.000 4.908 4.805 5.081 . 0 0 "[ . 1]" 1
545 1 31 LEU HB3 1 32 LYS H . . 4.000 2.982 2.718 3.617 . 0 0 "[ . 1]" 1
546 1 31 LEU HB3 2 34 MET ME . . 6.000 4.199 3.799 4.627 . 0 0 "[ . 1]" 1
547 1 31 LEU QD 1 32 LYS H . . 7.400 3.987 3.800 4.270 . 0 0 "[ . 1]" 1
548 1 31 LEU QD 1 34 MET H . . 7.400 4.326 3.804 4.972 . 0 0 "[ . 1]" 1
549 1 31 LEU QD 1 34 MET QB . . 8.400 3.430 2.201 5.111 . 0 0 "[ . 1]" 1
550 1 31 LEU QD 1 34 MET HG2 . . 7.400 3.880 2.591 4.465 . 0 0 "[ . 1]" 1
551 1 31 LEU QD 1 34 MET HG3 . . 7.400 4.794 3.749 5.441 . 0 0 "[ . 1]" 1
552 1 31 LEU QD 2 31 LEU HG . . 7.400 3.682 1.866 4.870 . 0 0 "[ . 1]" 1
553 1 31 LEU MD1 2 30 ALA MB . . 7.000 2.551 1.958 4.078 . 0 0 "[ . 1]" 1
554 1 31 LEU MD1 2 31 LEU HA . . 6.000 3.543 2.880 4.009 . 0 0 "[ . 1]" 1
555 1 31 LEU MD1 2 34 MET ME . . 7.000 3.224 1.713 4.055 . 0 0 "[ . 1]" 1
556 1 31 LEU MD2 2 30 ALA MB . . 7.000 3.876 2.189 4.663 . 0 0 "[ . 1]" 1
557 1 31 LEU MD2 2 31 LEU HA . . 6.000 4.049 1.922 5.000 . 0 0 "[ . 1]" 1
558 1 31 LEU MD2 2 34 MET ME . . 7.000 2.234 1.752 2.898 . 0 0 "[ . 1]" 1
559 1 31 LEU HG 2 30 ALA MB . . 6.000 3.734 1.944 4.649 . 0 0 "[ . 1]" 1
560 1 31 LEU HG 2 31 LEU HA . . 5.000 3.988 3.635 4.643 . 0 0 "[ . 1]" 1
561 1 31 LEU HG 2 31 LEU QB . . 6.000 5.230 4.946 5.381 . 0 0 "[ . 1]" 1
562 1 31 LEU HG 2 31 LEU QD . . 7.400 4.332 2.411 5.136 . 0 0 "[ . 1]" 1
563 1 31 LEU HG 2 34 MET ME . . 6.000 3.354 2.668 4.705 . 0 0 "[ . 1]" 1
564 1 32 LYS H 1 32 LYS HA . . 3.000 2.785 2.740 2.875 . 0 0 "[ . 1]" 1
565 1 32 LYS H 1 32 LYS QE . . 6.000 4.744 3.554 5.390 . 0 0 "[ . 1]" 1
566 1 32 LYS H 1 33 ASP H . . 4.000 2.648 2.335 2.784 . 0 0 "[ . 1]" 1
567 1 32 LYS H 1 34 MET H . . 4.000 3.981 3.732 4.111 0.111 8 0 "[ . 1]" 1
568 1 32 LYS HA 1 32 LYS HD2 . . 5.000 3.807 2.904 4.533 . 0 0 "[ . 1]" 1
569 1 32 LYS HA 1 32 LYS HD3 . . 5.000 4.337 3.801 4.781 . 0 0 "[ . 1]" 1
570 1 32 LYS HA 1 33 ASP H . . 4.000 3.569 3.531 3.588 . 0 0 "[ . 1]" 1
571 1 32 LYS HA 1 34 MET H . . 5.000 4.086 3.918 4.382 . 0 0 "[ . 1]" 1
572 1 32 LYS HA 1 35 THR H . . 4.000 3.426 3.087 3.770 . 0 0 "[ . 1]" 1
573 1 32 LYS HA 2 34 MET ME . . 6.000 4.979 4.792 5.155 . 0 0 "[ . 1]" 1
574 1 32 LYS QB 1 33 ASP H . . 4.600 2.872 2.786 3.001 . 0 0 "[ . 1]" 1
575 1 32 LYS QB 1 33 ASP HA . . 5.600 4.001 3.867 4.116 . 0 0 "[ . 1]" 1
576 1 32 LYS QB 1 33 ASP HB2 . . 5.600 4.283 3.941 4.494 . 0 0 "[ . 1]" 1
577 1 32 LYS QB 1 33 ASP HB3 . . 5.600 4.979 4.871 5.201 . 0 0 "[ . 1]" 1
578 1 32 LYS QG 1 33 ASP HA . . 6.000 4.547 4.056 5.390 . 0 0 "[ . 1]" 1
579 1 33 ASP H 1 33 ASP HA . . 3.000 2.791 2.742 2.843 . 0 0 "[ . 1]" 1
580 1 33 ASP H 1 33 ASP QB . . 3.600 2.188 2.165 2.222 . 0 0 "[ . 1]" 1
581 1 33 ASP HA 1 34 MET H . . 4.000 3.567 3.517 3.596 . 0 0 "[ . 1]" 1
582 1 33 ASP QB 1 34 MET H . . 5.600 2.753 2.616 2.953 . 0 0 "[ . 1]" 1
583 1 33 ASP QB 1 34 MET HB2 . . 5.600 4.104 3.741 4.983 . 0 0 "[ . 1]" 1
584 1 33 ASP QB 1 34 MET HB3 . . 5.600 4.546 3.404 4.907 . 0 0 "[ . 1]" 1
585 1 34 MET H 1 34 MET HA . . 3.000 2.872 2.820 2.918 . 0 0 "[ . 1]" 1
586 1 34 MET H 1 34 MET HB2 . . 4.000 2.715 2.345 3.683 . 0 0 "[ . 1]" 1
587 1 34 MET H 1 34 MET HB3 . . 4.000 2.522 2.381 2.692 . 0 0 "[ . 1]" 1
588 1 34 MET H 1 34 MET HG2 . . 5.000 4.171 2.535 4.673 . 0 0 "[ . 1]" 1
589 1 34 MET H 1 34 MET HG3 . . 5.000 4.289 3.923 4.417 . 0 0 "[ . 1]" 1
590 1 34 MET HA 1 34 MET ME . . 6.000 4.421 4.117 4.655 . 0 0 "[ . 1]" 1
591 1 34 MET HA 1 35 THR MG . . 6.000 3.911 3.091 4.738 . 0 0 "[ . 1]" 1
592 1 34 MET HA 1 37 ILE MD . . 6.000 3.481 1.958 5.015 . 0 0 "[ . 1]" 1
593 1 34 MET HA 1 37 ILE QG . . 6.000 3.963 2.862 5.058 . 0 0 "[ . 1]" 1
594 1 34 MET HA 2 34 MET QG . . 6.000 5.142 4.770 5.406 . 0 0 "[ . 1]" 1
595 1 34 MET QB 1 35 THR H . . 4.600 3.370 2.270 4.084 . 0 0 "[ . 1]" 1
596 1 34 MET QB 2 34 MET ME . . 7.000 2.528 1.810 3.735 . 0 0 "[ . 1]" 1
597 1 34 MET QB 2 34 MET QG . . 7.000 3.284 2.428 3.731 . 0 0 "[ . 1]" 1
598 1 34 MET ME 2 31 LEU HA . . 6.000 3.573 3.188 3.941 . 0 0 "[ . 1]" 1
599 1 34 MET ME 2 31 LEU HB2 . . 6.000 4.908 4.833 4.995 . 0 0 "[ . 1]" 1
600 1 34 MET ME 2 31 LEU HB3 . . 6.000 4.260 3.789 4.749 . 0 0 "[ . 1]" 1
601 1 34 MET ME 2 31 LEU MD1 . . 7.000 3.489 1.772 4.034 . 0 0 "[ . 1]" 1
602 1 34 MET ME 2 31 LEU MD2 . . 7.000 1.978 1.656 3.755 . 0 0 "[ . 1]" 1
603 1 34 MET ME 2 31 LEU HG . . 6.000 3.306 2.787 4.213 . 0 0 "[ . 1]" 1
604 1 34 MET ME 2 32 LYS HA . . 6.000 5.014 4.770 5.325 . 0 0 "[ . 1]" 1
605 1 34 MET ME 2 34 MET QB . . 7.000 2.377 1.871 4.020 . 0 0 "[ . 1]" 1
606 1 34 MET ME 2 34 MET HG2 . . 6.000 2.277 1.892 2.846 . 0 0 "[ . 1]" 1
607 1 34 MET ME 2 34 MET HG3 . . 6.000 2.979 1.931 4.074 . 0 0 "[ . 1]" 1
608 1 34 MET ME 2 36 SER QB . . 7.000 4.294 3.389 5.189 . 0 0 "[ . 1]" 1
609 1 34 MET ME 2 37 ILE MD . . 7.000 3.639 1.907 4.451 . 0 0 "[ . 1]" 1
610 1 34 MET ME 2 37 ILE MG . . 7.000 4.820 4.691 4.943 . 0 0 "[ . 1]" 1
611 1 34 MET QG 1 35 THR H . . 6.000 4.030 3.130 4.515 . 0 0 "[ . 1]" 1
612 1 34 MET QG 2 34 MET HA . . 6.000 5.194 4.836 5.442 . 0 0 "[ . 1]" 1
613 1 34 MET QG 2 34 MET QB . . 7.000 3.306 2.738 3.648 . 0 0 "[ . 1]" 1
614 1 34 MET HG2 1 37 ILE MD . . 6.000 3.385 1.889 4.865 . 0 0 "[ . 1]" 1
615 1 34 MET HG2 2 34 MET ME . . 6.000 2.298 1.765 3.473 . 0 0 "[ . 1]" 1
616 1 34 MET HG3 1 37 ILE MD . . 6.000 2.500 1.741 3.714 . 0 0 "[ . 1]" 1
617 1 34 MET HG3 2 34 MET ME . . 6.000 2.766 1.871 4.036 . 0 0 "[ . 1]" 1
618 1 35 THR H 1 35 THR HB . . 4.000 2.844 2.221 3.964 . 0 0 "[ . 1]" 1
619 1 35 THR HA 1 35 THR HB . . 2.500 2.597 2.427 2.823 0.323 6 0 "[ . 1]" 1
620 1 35 THR HA 1 36 SER H . . 4.000 2.656 2.348 3.189 . 0 0 "[ . 1]" 1
621 1 35 THR HA 1 36 SER QB . . 4.600 4.227 4.048 4.376 . 0 0 "[ . 1]" 1
622 1 35 THR HA 1 37 ILE H . . 5.000 4.789 4.124 5.240 0.240 8 0 "[ . 1]" 1
623 1 35 THR HB 1 36 SER H . . 4.000 3.646 2.213 4.106 0.106 7 0 "[ . 1]" 1
624 1 35 THR HB 1 37 ILE QG . . 6.000 4.865 3.413 5.580 . 0 0 "[ . 1]" 1
625 1 35 THR MG 1 36 SER H . . 6.000 2.803 1.956 3.412 . 0 0 "[ . 1]" 1
626 1 35 THR MG 1 36 SER HB2 . . 6.000 4.648 4.182 5.016 . 0 0 "[ . 1]" 1
627 1 35 THR MG 1 36 SER HB3 . . 6.000 4.060 3.126 4.917 . 0 0 "[ . 1]" 1
628 1 35 THR MG 1 37 ILE HA . . 6.000 3.622 2.580 4.944 . 0 0 "[ . 1]" 1
629 1 35 THR MG 1 37 ILE QG . . 7.000 2.946 1.826 4.761 . 0 0 "[ . 1]" 1
630 1 36 SER H 1 36 SER HA . . 3.000 2.761 2.359 2.918 . 0 0 "[ . 1]" 1
631 1 36 SER H 1 36 SER HB2 . . 4.000 2.644 2.260 3.245 . 0 0 "[ . 1]" 1
632 1 36 SER H 1 36 SER HB3 . . 4.000 2.665 2.228 3.047 . 0 0 "[ . 1]" 1
633 1 36 SER H 1 37 ILE H . . 4.000 3.404 2.194 4.220 0.220 1 0 "[ . 1]" 1
634 1 36 SER HA 1 37 ILE H . . 3.000 2.657 2.258 3.286 0.286 9 0 "[ . 1]" 1
635 1 36 SER HA 1 37 ILE HB . . 5.000 4.905 4.512 5.232 0.232 4 0 "[ . 1]" 1
636 1 36 SER HA 1 37 ILE MD . . 6.000 4.521 2.197 5.232 . 0 0 "[ . 1]" 1
637 1 36 SER HA 1 37 ILE HG12 . . 5.000 4.256 3.601 5.143 0.143 9 0 "[ . 1]" 1
638 1 36 SER HA 1 37 ILE HG13 . . 5.000 4.311 3.712 5.193 0.193 10 0 "[ . 1]" 1
639 1 36 SER QB 1 37 ILE H . . 4.600 3.898 3.495 4.094 . 0 0 "[ . 1]" 1
640 1 36 SER QB 1 37 ILE QG . . 6.600 4.835 4.627 4.960 . 0 0 "[ . 1]" 1
641 1 36 SER QB 2 34 MET ME . . 7.000 4.194 3.379 5.051 . 0 0 "[ . 1]" 1
642 1 37 ILE H 1 37 ILE HB . . 4.000 3.061 2.567 3.721 . 0 0 "[ . 1]" 1
643 1 37 ILE H 1 37 ILE HG12 . . 5.000 2.684 1.864 3.900 . 0 0 "[ . 1]" 1
644 1 37 ILE H 1 37 ILE HG13 . . 5.000 2.546 1.761 3.826 . 0 0 "[ . 1]" 1
645 1 37 ILE HA 2 37 ILE HB . . 5.000 4.946 4.547 5.064 0.064 6 0 "[ . 1]" 1
646 1 37 ILE HA 2 37 ILE MG . . 6.000 4.265 3.808 4.661 . 0 0 "[ . 1]" 1
647 1 37 ILE HB 2 37 ILE HA . . 5.000 4.899 4.569 5.222 0.222 4 0 "[ . 1]" 1
648 1 37 ILE HB 2 37 ILE MD . . 6.000 3.106 1.908 4.249 . 0 0 "[ . 1]" 1
649 1 37 ILE HB 2 37 ILE MG . . 6.000 2.106 1.795 3.002 . 0 0 "[ . 1]" 1
650 1 37 ILE MD 2 34 MET ME . . 7.000 3.217 1.811 4.466 . 0 0 "[ . 1]" 1
651 1 37 ILE MD 2 37 ILE HB . . 6.000 2.646 1.772 3.714 . 0 0 "[ . 1]" 1
652 1 37 ILE MD 2 37 ILE HG12 . . 6.000 3.528 1.892 4.742 . 0 0 "[ . 1]" 1
653 1 37 ILE MD 2 37 ILE HG13 . . 6.000 3.158 1.868 4.897 . 0 0 "[ . 1]" 1
654 1 37 ILE HG12 2 37 ILE MD . . 6.000 4.052 1.932 5.019 . 0 0 "[ . 1]" 1
655 1 37 ILE HG12 2 37 ILE HG13 . . 5.000 4.063 2.266 4.956 . 0 0 "[ . 1]" 1
656 1 37 ILE HG12 2 37 ILE MG . . 6.000 4.029 2.876 4.901 . 0 0 "[ . 1]" 1
657 1 37 ILE HG13 2 37 ILE MD . . 6.000 3.410 1.955 4.945 . 0 0 "[ . 1]" 1
658 1 37 ILE HG13 2 37 ILE HG12 . . 5.000 3.858 1.965 5.061 0.061 4 0 "[ . 1]" 1
659 1 37 ILE HG13 2 37 ILE MG . . 6.000 3.685 2.090 4.757 . 0 0 "[ . 1]" 1
660 1 37 ILE MG 2 34 MET ME . . 7.000 4.830 4.695 4.959 . 0 0 "[ . 1]" 1
661 1 37 ILE MG 2 37 ILE HA . . 6.000 4.260 3.552 4.888 . 0 0 "[ . 1]" 1
662 1 37 ILE MG 2 37 ILE HB . . 6.000 2.066 1.871 2.567 . 0 0 "[ . 1]" 1
663 1 37 ILE MG 2 37 ILE HG12 . . 6.000 4.090 3.138 4.933 . 0 0 "[ . 1]" 1
664 1 37 ILE MG 2 37 ILE HG13 . . 6.000 3.818 3.173 4.648 . 0 0 "[ . 1]" 1
665 2 2 CYS HA 2 3 GLY H . . 4.000 3.246 2.261 3.643 . 0 0 "[ . 1]" 1
666 2 2 CYS HA 2 6 ILE MD . . 6.000 4.023 2.022 5.241 . 0 0 "[ . 1]" 1
667 2 2 CYS HA 2 6 ILE QG . . 6.000 4.129 3.161 5.088 . 0 0 "[ . 1]" 1
668 2 2 CYS HA 2 6 ILE MG . . 6.000 4.730 3.793 5.052 . 0 0 "[ . 1]" 1
669 2 2 CYS QB 2 3 GLY H . . 5.600 2.507 1.765 3.713 . 0 0 "[ . 1]" 1
670 2 2 CYS QB 2 6 ILE MD . . 7.000 2.558 1.723 3.447 . 0 0 "[ . 1]" 1
671 2 2 CYS QB 2 6 ILE MG . . 7.000 3.308 2.785 4.468 . 0 0 "[ . 1]" 1
672 2 2 CYS HB2 2 6 ILE HB . . 5.000 3.402 2.014 4.788 . 0 0 "[ . 1]" 1
673 2 2 CYS HB3 2 6 ILE HB . . 5.000 3.123 1.982 5.234 0.234 3 0 "[ . 1]" 1
674 2 3 GLY H 2 4 LYS H . . 4.000 2.002 1.735 2.744 . 0 0 "[ . 1]" 1
675 2 3 GLY H 2 4 LYS QB . . 4.600 4.005 3.412 4.364 . 0 0 "[ . 1]" 1
676 2 3 GLY H 2 6 ILE HB . . 5.000 3.844 2.284 4.682 . 0 0 "[ . 1]" 1
677 2 3 GLY HA3 2 4 LYS H . . 5.000 3.368 2.928 3.639 . 0 0 "[ . 1]" 1
678 2 4 LYS H 2 4 LYS HB2 . . 4.000 3.117 2.826 3.387 . 0 0 "[ . 1]" 1
679 2 4 LYS H 2 4 LYS HB3 . . 4.000 3.717 3.341 3.887 . 0 0 "[ . 1]" 1
680 2 4 LYS H 2 5 SER HA . . 4.000 4.152 4.000 4.306 0.306 10 0 "[ . 1]" 1
681 2 4 LYS H 2 6 ILE QG . . 6.000 4.229 2.144 5.420 . 0 0 "[ . 1]" 1
682 2 4 LYS HA 2 4 LYS HD2 . . 5.000 3.704 2.222 4.378 . 0 0 "[ . 1]" 1
683 2 4 LYS HA 2 4 LYS HD3 . . 5.000 3.853 3.237 4.545 . 0 0 "[ . 1]" 1
684 2 4 LYS HA 2 5 SER H . . 5.000 3.555 3.280 3.633 . 0 0 "[ . 1]" 1
685 2 4 LYS QB 2 5 SER HA . . 4.600 4.126 4.058 4.237 . 0 0 "[ . 1]" 1
686 2 4 LYS QB 2 6 ILE H . . 6.000 4.001 3.027 4.918 . 0 0 "[ . 1]" 1
687 2 4 LYS QB 2 6 ILE MD . . 7.000 3.204 1.955 5.091 . 0 0 "[ . 1]" 1
688 2 5 SER HA 2 8 ASP H . . 5.000 4.042 3.304 4.342 . 0 0 "[ . 1]" 1
689 2 5 SER QB 2 7 ASP H . . 6.000 4.319 4.094 4.818 . 0 0 "[ . 1]" 1
690 2 5 SER QB 2 8 ASP HB2 . . 6.000 3.376 2.170 4.747 . 0 0 "[ . 1]" 1
691 2 5 SER QB 2 8 ASP HB3 . . 6.000 3.798 2.491 5.005 . 0 0 "[ . 1]" 1
692 2 5 SER HB2 2 6 ILE H . . 5.000 4.291 3.341 4.658 . 0 0 "[ . 1]" 1
693 2 5 SER HB3 2 6 ILE H . . 5.000 4.385 3.800 4.720 . 0 0 "[ . 1]" 1
694 2 6 ILE H 2 6 ILE HB . . 4.000 2.338 2.029 2.859 . 0 0 "[ . 1]" 1
695 2 6 ILE H 2 6 ILE HG12 . . 5.000 3.443 1.757 4.601 . 0 0 "[ . 1]" 1
696 2 6 ILE H 2 6 ILE HG13 . . 5.000 3.658 2.888 4.477 . 0 0 "[ . 1]" 1
697 2 6 ILE H 2 9 LEU QB . . 5.000 4.254 3.467 4.562 . 0 0 "[ . 1]" 1
698 2 6 ILE HA 2 7 ASP H . . 5.000 3.537 3.469 3.586 . 0 0 "[ . 1]" 1
699 2 6 ILE HA 2 9 LEU HB2 . . 5.000 1.950 1.706 2.235 . 0 0 "[ . 1]" 1
700 2 6 ILE HA 2 9 LEU HB3 . . 5.000 2.965 2.645 3.355 . 0 0 "[ . 1]" 1
701 2 6 ILE HA 2 9 LEU QD . . 7.400 2.542 1.787 3.765 . 0 0 "[ . 1]" 1
702 2 6 ILE HA 2 9 LEU HG . . 5.000 4.106 2.948 4.645 . 0 0 "[ . 1]" 1
703 2 6 ILE HA 2 10 GLU H . . 5.000 3.951 3.113 4.276 . 0 0 "[ . 1]" 1
704 2 6 ILE HB 2 10 GLU QG . . 6.000 4.527 2.852 5.270 . 0 0 "[ . 1]" 1
705 2 6 ILE MG 2 7 ASP H . . 6.000 3.361 2.445 4.242 . 0 0 "[ . 1]" 1
706 2 6 ILE MG 2 7 ASP HA . . 6.000 3.480 2.847 4.689 . 0 0 "[ . 1]" 1
707 2 6 ILE MG 2 9 LEU H . . 6.000 4.150 3.785 4.595 . 0 0 "[ . 1]" 1
708 2 6 ILE MG 2 10 GLU H . . 6.000 3.294 2.299 3.896 . 0 0 "[ . 1]" 1
709 2 6 ILE MG 2 10 GLU QG . . 7.000 2.329 1.944 2.775 . 0 0 "[ . 1]" 1
710 2 7 ASP HA 2 10 GLU H . . 5.000 3.777 3.444 4.317 . 0 0 "[ . 1]" 1
711 2 7 ASP HA 2 10 GLU QB . . 5.000 3.582 3.239 3.883 . 0 0 "[ . 1]" 1
712 2 7 ASP QB 2 8 ASP H . . 5.600 2.044 1.900 2.349 . 0 0 "[ . 1]" 1
713 2 7 ASP QB 2 8 ASP QB . . 5.200 3.606 3.482 3.959 . 0 0 "[ . 1]" 1
714 2 7 ASP QB 2 9 LEU H . . 6.000 4.048 3.817 4.326 . 0 0 "[ . 1]" 1
715 2 7 ASP QB 2 11 ASP QB . . 6.000 4.344 4.112 4.631 . 0 0 "[ . 1]" 1
716 2 7 ASP HB2 2 8 ASP HA . . 5.000 4.179 3.981 4.429 . 0 0 "[ . 1]" 1
717 2 7 ASP HB3 2 8 ASP HA . . 5.000 3.996 3.841 4.129 . 0 0 "[ . 1]" 1
718 2 8 ASP HA 2 11 ASP H . . 4.000 3.478 3.305 3.797 . 0 0 "[ . 1]" 1
719 2 8 ASP HA 2 11 ASP HB2 . . 5.000 2.736 2.257 3.213 . 0 0 "[ . 1]" 1
720 2 8 ASP HA 2 11 ASP HB3 . . 5.000 2.766 2.395 3.384 . 0 0 "[ . 1]" 1
721 2 8 ASP QB 2 9 LEU H . . 5.600 2.914 2.654 3.038 . 0 0 "[ . 1]" 1
722 2 8 ASP QB 2 11 ASP QB . . 6.000 4.078 3.951 4.381 . 0 0 "[ . 1]" 1
723 2 9 LEU H 2 9 LEU HG . . 5.000 4.239 3.810 4.489 . 0 0 "[ . 1]" 1
724 2 9 LEU H 2 10 GLU QG . . 6.000 4.279 3.833 4.777 . 0 0 "[ . 1]" 1
725 2 9 LEU H 2 11 ASP QB . . 6.000 4.421 4.219 4.621 . 0 0 "[ . 1]" 1
726 2 9 LEU HA 2 12 GLU H . . 4.000 3.876 3.749 4.058 0.058 9 0 "[ . 1]" 1
727 2 9 LEU HA 2 12 GLU HB2 . . 4.000 3.640 3.098 4.028 0.028 4 0 "[ . 1]" 1
728 2 9 LEU HA 2 12 GLU HB3 . . 4.000 3.850 3.336 4.105 0.105 5 0 "[ . 1]" 1
729 2 9 LEU QB 2 10 GLU QB . . 6.200 4.310 4.117 4.554 . 0 0 "[ . 1]" 1
730 2 9 LEU QB 2 10 GLU QG . . 6.600 2.972 2.826 3.176 . 0 0 "[ . 1]" 1
731 2 9 LEU QB 2 11 ASP H . . 6.000 4.358 4.136 4.559 . 0 0 "[ . 1]" 1
732 2 9 LEU HB2 2 10 GLU H . . 5.000 3.003 2.228 3.648 . 0 0 "[ . 1]" 1
733 2 9 LEU HB3 2 10 GLU H . . 5.000 2.474 2.218 2.915 . 0 0 "[ . 1]" 1
734 2 9 LEU QD 2 10 GLU H . . 7.400 3.737 3.368 3.996 . 0 0 "[ . 1]" 1
735 2 9 LEU HG 2 10 GLU H . . 5.000 4.675 4.163 5.010 0.010 4 0 "[ . 1]" 1
736 2 10 GLU H 2 10 GLU HG2 . . 5.000 2.550 1.921 3.449 . 0 0 "[ . 1]" 1
737 2 10 GLU H 2 10 GLU HG3 . . 5.000 2.286 1.947 3.339 . 0 0 "[ . 1]" 1
738 2 10 GLU H 2 11 ASP H . . 5.000 2.805 2.667 3.057 . 0 0 "[ . 1]" 1
739 2 10 GLU H 2 12 GLU H . . 5.000 4.966 4.837 5.088 0.088 9 0 "[ . 1]" 1
740 2 10 GLU H 2 13 LEU HB2 . . 5.000 4.584 4.284 4.840 . 0 0 "[ . 1]" 1
741 2 10 GLU H 2 13 LEU HB3 . . 5.000 4.910 4.639 5.035 0.035 7 0 "[ . 1]" 1
742 2 10 GLU HA 2 11 ASP H . . 5.000 3.571 3.518 3.635 . 0 0 "[ . 1]" 1
743 2 10 GLU HA 2 13 LEU H . . 5.000 3.571 3.395 3.756 . 0 0 "[ . 1]" 1
744 2 10 GLU HA 2 13 LEU HB2 . . 4.000 2.926 2.509 3.238 . 0 0 "[ . 1]" 1
745 2 10 GLU HA 2 13 LEU HB3 . . 4.000 2.498 2.264 2.660 . 0 0 "[ . 1]" 1
746 2 10 GLU HA 2 14 TYR H . . 5.000 3.608 3.394 3.934 . 0 0 "[ . 1]" 1
747 2 10 GLU QB 2 14 TYR QB . . 7.000 4.415 4.218 4.648 . 0 0 "[ . 1]" 1
748 2 10 GLU HB2 2 11 ASP H . . 5.000 2.837 2.381 3.076 . 0 0 "[ . 1]" 1
749 2 10 GLU HB3 2 11 ASP H . . 5.000 3.926 3.601 4.137 . 0 0 "[ . 1]" 1
750 2 10 GLU QG 2 11 ASP H . . 6.000 3.989 3.750 4.200 . 0 0 "[ . 1]" 1
751 2 10 GLU QG 2 13 LEU QB . . 7.000 4.169 3.976 4.480 . 0 0 "[ . 1]" 1
752 2 11 ASP H 2 12 GLU QB . . 5.600 4.497 4.440 4.644 . 0 0 "[ . 1]" 1
753 2 11 ASP H 2 13 LEU H . . 5.000 3.708 3.591 3.857 . 0 0 "[ . 1]" 1
754 2 11 ASP H 2 13 LEU HB2 . . 5.000 4.928 4.605 5.098 0.098 4 0 "[ . 1]" 1
755 2 11 ASP H 2 13 LEU HB3 . . 5.000 4.906 4.565 5.076 0.076 5 0 "[ . 1]" 1
756 2 11 ASP HA 2 12 GLU H . . 5.000 3.651 3.644 3.655 . 0 0 "[ . 1]" 1
757 2 11 ASP HA 2 14 TYR CG . . 7.200 4.633 4.163 5.110 . 0 0 "[ . 1]" 1
758 2 11 ASP HA 2 14 TYR QB . . 5.000 2.931 2.521 3.202 . 0 0 "[ . 1]" 1
759 2 11 ASP HA 2 15 ALA H . . 5.000 4.261 4.101 4.416 . 0 0 "[ . 1]" 1
760 2 11 ASP QB 2 12 GLU QB . . 5.200 3.499 3.368 3.649 . 0 0 "[ . 1]" 1
761 2 11 ASP HB2 2 12 GLU H . . 4.000 3.208 2.396 3.539 . 0 0 "[ . 1]" 1
762 2 11 ASP HB3 2 12 GLU H . . 4.000 1.971 1.903 2.241 . 0 0 "[ . 1]" 1
763 2 12 GLU H 2 12 GLU HB2 . . 4.000 2.071 2.021 2.230 . 0 0 "[ . 1]" 1
764 2 12 GLU H 2 12 GLU HB3 . . 4.000 3.114 2.776 3.417 . 0 0 "[ . 1]" 1
765 2 12 GLU H 2 13 LEU H . . 5.000 2.812 2.703 2.923 . 0 0 "[ . 1]" 1
766 2 12 GLU HA 2 13 LEU H . . 5.000 3.555 3.519 3.605 . 0 0 "[ . 1]" 1
767 2 12 GLU HA 2 15 ALA H . . 4.000 3.704 3.608 3.822 . 0 0 "[ . 1]" 1
768 2 12 GLU HA 2 15 ALA MB . . 5.000 2.675 2.329 2.900 . 0 0 "[ . 1]" 1
769 2 12 GLU HB2 2 13 LEU H . . 4.000 3.562 3.264 3.793 . 0 0 "[ . 1]" 1
770 2 12 GLU HB3 2 13 LEU H . . 4.000 3.111 2.660 3.448 . 0 0 "[ . 1]" 1
771 2 12 GLU QG 2 15 ALA MB . . 7.000 3.676 3.474 4.028 . 0 0 "[ . 1]" 1
772 2 13 LEU H 2 13 LEU HG . . 5.000 4.309 4.122 4.485 . 0 0 "[ . 1]" 1
773 2 13 LEU H 2 14 TYR H . . 4.000 2.923 2.810 3.045 . 0 0 "[ . 1]" 1
774 2 13 LEU H 2 17 LYS QG . . 6.000 5.340 5.212 5.407 . 0 0 "[ . 1]" 1
775 2 13 LEU HA 2 14 TYR H . . 5.000 3.633 3.625 3.639 . 0 0 "[ . 1]" 1
776 2 13 LEU HA 2 16 GLN H . . 5.000 3.286 3.166 3.392 . 0 0 "[ . 1]" 1
777 2 13 LEU HA 2 16 GLN QB . . 6.000 2.508 2.196 2.728 . 0 0 "[ . 1]" 1
778 2 13 LEU HA 2 16 GLN QG . . 6.000 4.281 3.837 4.653 . 0 0 "[ . 1]" 1
779 2 13 LEU HA 2 17 LYS H . . 5.000 4.293 4.106 4.383 . 0 0 "[ . 1]" 1
780 2 13 LEU HA 2 17 LYS QG . . 6.000 3.699 3.410 3.844 . 0 0 "[ . 1]" 1
781 2 13 LEU QB 2 14 TYR HA . . 5.600 3.927 3.793 4.075 . 0 0 "[ . 1]" 1
782 2 13 LEU QB 2 14 TYR QB . . 6.200 3.856 3.670 4.015 . 0 0 "[ . 1]" 1
783 2 13 LEU QB 2 17 LYS QE . . 7.000 3.523 2.622 3.989 . 0 0 "[ . 1]" 1
784 2 13 LEU HB2 2 14 TYR H . . 5.000 3.484 3.324 3.597 . 0 0 "[ . 1]" 1
785 2 13 LEU HB2 2 17 LYS HE3 . . 5.000 4.839 4.237 5.103 0.103 3 0 "[ . 1]" 1
786 2 13 LEU HB3 2 14 TYR H . . 5.000 2.123 1.948 2.405 . 0 0 "[ . 1]" 1
787 2 13 LEU HB3 2 17 LYS HE2 . . 5.000 4.617 3.636 5.073 0.073 3 0 "[ . 1]" 1
788 2 13 LEU QD 2 14 TYR H . . 7.400 3.007 2.453 3.368 . 0 0 "[ . 1]" 1
789 2 13 LEU QD 2 14 TYR HA . . 7.400 3.133 2.648 3.485 . 0 0 "[ . 1]" 1
790 2 13 LEU QD 2 14 TYR QB . . 8.000 4.144 3.761 4.395 . 0 0 "[ . 1]" 1
791 2 13 LEU QD 2 16 GLN H . . 7.400 4.046 3.602 4.957 . 0 0 "[ . 1]" 1
792 2 13 LEU QD 2 16 GLN QB . . 8.400 3.022 2.284 4.223 . 0 0 "[ . 1]" 1
793 2 13 LEU QD 2 17 LYS H . . 7.400 3.561 3.114 4.314 . 0 0 "[ . 1]" 1
794 2 13 LEU QD 2 17 LYS QB . . 8.400 3.675 3.525 3.950 . 0 0 "[ . 1]" 1
795 2 13 LEU QD 2 17 LYS QD . . 8.400 2.795 2.440 3.050 . 0 0 "[ . 1]" 1
796 2 13 LEU QD 2 17 LYS QE . . 8.400 1.622 1.516 1.824 . 0 0 "[ . 1]" 1
797 2 13 LEU QD 2 17 LYS QG . . 8.400 1.932 1.775 2.187 . 0 0 "[ . 1]" 1
798 2 13 LEU HG 2 14 TYR H . . 5.000 4.620 4.162 5.057 0.057 4 0 "[ . 1]" 1
799 2 13 LEU HG 2 17 LYS QE . . 6.000 3.096 2.089 3.676 . 0 0 "[ . 1]" 1
800 2 14 TYR CG 2 15 ALA H . . 7.200 4.432 4.344 4.615 . 0 0 "[ . 1]" 1
801 2 14 TYR CG 2 18 LEU QD . . 9.600 5.484 4.097 6.635 . 0 0 "[ . 1]" 1
802 2 14 TYR CZ 2 14 TYR HA . . 6.000 4.803 4.742 4.902 . 0 0 "[ . 1]" 1
803 2 14 TYR CZ 2 17 LYS QE . . 8.200 6.773 5.672 7.284 . 0 0 "[ . 1]" 1
804 2 14 TYR H 2 15 ALA H . . 3.000 3.022 2.934 3.072 0.072 8 0 "[ . 1]" 1
805 2 14 TYR H 2 15 ALA MB . . 6.000 4.533 4.438 4.593 . 0 0 "[ . 1]" 1
806 2 14 TYR HA 2 15 ALA H . . 4.000 3.619 3.583 3.636 . 0 0 "[ . 1]" 1
807 2 14 TYR HA 2 17 LYS QB . . 6.000 2.742 2.325 3.018 . 0 0 "[ . 1]" 1
808 2 14 TYR HA 2 17 LYS QD . . 6.000 3.823 3.090 4.464 . 0 0 "[ . 1]" 1
809 2 14 TYR HA 2 17 LYS QE . . 6.000 3.858 2.689 4.616 . 0 0 "[ . 1]" 1
810 2 14 TYR HA 2 18 LEU H . . 5.000 4.212 3.886 4.365 . 0 0 "[ . 1]" 1
811 2 14 TYR QB 2 15 ALA H . . 4.600 2.480 2.375 2.703 . 0 0 "[ . 1]" 1
812 2 14 TYR QB 2 15 ALA HA . . 5.600 3.690 3.613 3.791 . 0 0 "[ . 1]" 1
813 2 14 TYR QB 2 15 ALA MB . . 6.600 3.633 3.488 3.762 . 0 0 "[ . 1]" 1
814 2 14 TYR QB 2 17 LYS QB . . 7.000 4.367 4.098 4.707 . 0 0 "[ . 1]" 1
815 2 14 TYR QB 2 18 LEU H . . 6.000 4.805 4.591 5.041 . 0 0 "[ . 1]" 1
816 2 14 TYR QB 2 18 LEU QD . . 8.400 4.249 3.301 5.130 . 0 0 "[ . 1]" 1
817 2 15 ALA H 2 16 GLN H . . 4.000 2.701 2.596 2.766 . 0 0 "[ . 1]" 1
818 2 15 ALA H 2 17 LYS H . . 4.000 3.872 3.689 4.002 0.002 8 0 "[ . 1]" 1
819 2 15 ALA H 2 18 LEU QD . . 7.400 4.904 4.353 5.282 . 0 0 "[ . 1]" 1
820 2 15 ALA HA 2 16 GLN H . . 5.000 3.615 3.586 3.631 . 0 0 "[ . 1]" 1
821 2 15 ALA HA 2 17 LYS H . . 5.000 3.995 3.870 4.086 . 0 0 "[ . 1]" 1
822 2 15 ALA HA 2 18 LEU H . . 5.000 3.520 3.349 3.673 . 0 0 "[ . 1]" 1
823 2 15 ALA HA 2 18 LEU QB . . 6.000 3.130 2.822 3.602 . 0 0 "[ . 1]" 1
824 2 15 ALA HA 2 18 LEU QD . . 7.400 3.096 2.468 3.789 . 0 0 "[ . 1]" 1
825 2 15 ALA HA 2 19 LYS H . . 5.000 4.177 4.006 4.324 . 0 0 "[ . 1]" 1
826 2 15 ALA MB 2 16 GLN H . . 6.000 2.601 2.483 2.723 . 0 0 "[ . 1]" 1
827 2 15 ALA MB 2 16 GLN HA . . 6.000 3.741 3.663 3.846 . 0 0 "[ . 1]" 1
828 2 15 ALA MB 2 16 GLN HE21 . . 6.000 4.174 3.354 4.801 . 0 0 "[ . 1]" 1
829 2 15 ALA MB 2 16 GLN HE22 . . 6.000 3.968 3.606 4.688 . 0 0 "[ . 1]" 1
830 2 15 ALA MB 2 17 LYS H . . 6.000 4.295 4.202 4.428 . 0 0 "[ . 1]" 1
831 2 15 ALA MB 2 19 LYS HB2 . . 6.000 4.207 3.887 4.472 . 0 0 "[ . 1]" 1
832 2 15 ALA MB 2 19 LYS HB3 . . 6.000 4.724 4.389 4.875 . 0 0 "[ . 1]" 1
833 2 16 GLN H 2 16 GLN QE . . 6.000 3.678 3.066 4.322 . 0 0 "[ . 1]" 1
834 2 16 GLN HA 2 17 LYS H . . 5.000 3.528 3.500 3.556 . 0 0 "[ . 1]" 1
835 2 16 GLN HA 2 19 LYS H . . 4.000 3.337 3.275 3.452 . 0 0 "[ . 1]" 1
836 2 16 GLN HA 2 19 LYS QB . . 5.000 2.230 2.076 2.506 . 0 0 "[ . 1]" 1
837 2 16 GLN HA 2 19 LYS QD . . 6.000 4.485 3.525 5.181 . 0 0 "[ . 1]" 1
838 2 16 GLN QB 2 17 LYS H . . 5.600 3.020 2.918 3.116 . 0 0 "[ . 1]" 1
839 2 16 GLN QB 2 17 LYS HE2 . . 5.600 3.886 3.142 5.043 . 0 0 "[ . 1]" 1
840 2 16 GLN QB 2 17 LYS HE3 . . 5.600 4.891 4.691 5.087 . 0 0 "[ . 1]" 1
841 2 16 GLN QG 2 17 LYS H . . 6.000 4.631 4.283 4.766 . 0 0 "[ . 1]" 1
842 2 16 GLN QG 2 17 LYS QG . . 7.000 4.965 4.494 5.234 . 0 0 "[ . 1]" 1
843 2 16 GLN QG 2 19 LYS QB . . 7.000 3.601 3.330 3.871 . 0 0 "[ . 1]" 1
844 2 17 LYS H 2 17 LYS QD . . 6.000 3.940 3.787 4.065 . 0 0 "[ . 1]" 1
845 2 17 LYS H 2 18 LEU H . . 4.000 2.711 2.610 2.809 . 0 0 "[ . 1]" 1
846 2 17 LYS H 2 18 LEU QD . . 7.400 4.496 3.749 5.091 . 0 0 "[ . 1]" 1
847 2 17 LYS H 2 19 LYS H . . 4.000 3.605 3.519 3.723 . 0 0 "[ . 1]" 1
848 2 17 LYS HA 2 17 LYS QE . . 6.000 3.891 3.375 4.708 . 0 0 "[ . 1]" 1
849 2 17 LYS HA 2 18 LEU H . . 4.000 3.636 3.627 3.640 . 0 0 "[ . 1]" 1
850 2 17 LYS HA 2 19 LYS H . . 4.000 4.040 4.014 4.104 0.104 2 0 "[ . 1]" 1
851 2 17 LYS HA 2 20 TYR H . . 4.000 3.119 3.066 3.202 . 0 0 "[ . 1]" 1
852 2 17 LYS HA 2 20 TYR HB2 . . 5.000 3.119 2.835 3.448 . 0 0 "[ . 1]" 1
853 2 17 LYS HA 2 20 TYR HB3 . . 5.000 2.353 2.130 2.568 . 0 0 "[ . 1]" 1
854 2 17 LYS QB 2 18 LEU QD . . 8.000 3.741 2.253 4.781 . 0 0 "[ . 1]" 1
855 2 17 LYS QB 2 19 LYS H . . 5.000 4.339 4.262 4.466 . 0 0 "[ . 1]" 1
856 2 17 LYS QB 2 20 TYR QB . . 7.000 3.869 3.750 3.992 . 0 0 "[ . 1]" 1
857 2 17 LYS QD 2 20 TYR QB . . 7.000 4.219 3.482 5.036 . 0 0 "[ . 1]" 1
858 2 18 LEU H 2 18 LEU HG . . 5.000 3.766 2.765 4.363 . 0 0 "[ . 1]" 1
859 2 18 LEU H 2 20 TYR H . . 4.000 3.978 3.884 4.010 0.010 8 0 "[ . 1]" 1
860 2 18 LEU H 2 20 TYR QB . . 6.000 4.639 4.498 4.713 . 0 0 "[ . 1]" 1
861 2 18 LEU HA 2 19 LYS H . . 5.000 3.531 3.514 3.546 . 0 0 "[ . 1]" 1
862 2 18 LEU HA 2 20 TYR H . . 4.000 4.094 4.061 4.145 0.145 2 0 "[ . 1]" 1
863 2 18 LEU HA 2 20 TYR QB . . 6.000 4.702 4.663 4.735 . 0 0 "[ . 1]" 1
864 2 18 LEU HA 2 21 LYS H . . 4.000 3.349 3.309 3.481 . 0 0 "[ . 1]" 1
865 2 18 LEU HA 2 21 LYS QB . . 5.000 2.935 2.818 3.292 . 0 0 "[ . 1]" 1
866 2 18 LEU HA 2 21 LYS QD . . 6.000 4.000 3.540 5.360 . 0 0 "[ . 1]" 1
867 2 18 LEU HA 2 22 ALA H . . 4.000 3.917 3.810 4.001 0.001 8 0 "[ . 1]" 1
868 2 18 LEU HB2 2 19 LYS H . . 5.000 3.799 3.111 4.414 . 0 0 "[ . 1]" 1
869 2 18 LEU HB3 2 19 LYS H . . 5.000 3.583 3.299 3.867 . 0 0 "[ . 1]" 1
870 2 18 LEU QD 2 19 LYS H . . 7.400 3.491 2.105 4.313 . 0 0 "[ . 1]" 1
871 2 18 LEU QD 2 21 LYS QB . . 8.400 4.136 3.458 4.741 . 0 0 "[ . 1]" 1
872 2 18 LEU QD 2 21 LYS QD . . 8.400 4.312 3.433 5.080 . 0 0 "[ . 1]" 1
873 2 18 LEU QD 2 21 LYS QE . . 8.400 4.657 3.596 5.427 . 0 0 "[ . 1]" 1
874 2 18 LEU QD 2 22 ALA MB . . 8.400 3.428 2.262 4.642 . 0 0 "[ . 1]" 1
875 2 19 LYS H 2 19 LYS QB . . 3.600 2.228 2.192 2.248 . 0 0 "[ . 1]" 1
876 2 19 LYS H 2 20 TYR QB . . 5.600 3.904 3.827 3.961 . 0 0 "[ . 1]" 1
877 2 19 LYS QB 2 20 TYR H . . 4.600 2.995 2.949 3.056 . 0 0 "[ . 1]" 1
878 2 19 LYS QB 2 22 ALA MB . . 7.000 4.121 4.077 4.192 . 0 0 "[ . 1]" 1
879 2 19 LYS QG 2 23 ILE MG . . 7.000 3.502 3.183 4.775 . 0 0 "[ . 1]" 1
880 2 20 TYR CZ 2 20 TYR HA . . 6.000 5.309 5.115 5.498 . 0 0 "[ . 1]" 1
881 2 20 TYR H 2 20 TYR HB2 . . 4.000 2.577 2.358 2.782 . 0 0 "[ . 1]" 1
882 2 20 TYR H 2 20 TYR HB3 . . 4.000 2.124 1.964 2.313 . 0 0 "[ . 1]" 1
883 2 20 TYR H 2 23 ILE MG . . 6.000 3.857 3.775 3.954 . 0 0 "[ . 1]" 1
884 2 20 TYR HA 2 21 LYS H . . 5.000 3.573 3.556 3.592 . 0 0 "[ . 1]" 1
885 2 20 TYR HA 2 22 ALA H . . 5.000 4.482 4.394 4.544 . 0 0 "[ . 1]" 1
886 2 20 TYR HA 2 23 ILE H . . 5.000 3.544 3.509 3.637 . 0 0 "[ . 1]" 1
887 2 20 TYR HA 2 23 ILE HB . . 4.000 3.876 3.763 3.998 . 0 0 "[ . 1]" 1
888 2 20 TYR HA 2 23 ILE MG . . 6.000 1.880 1.798 2.020 . 0 0 "[ . 1]" 1
889 2 20 TYR HA 2 24 SER H . . 5.000 3.772 3.691 3.902 . 0 0 "[ . 1]" 1
890 2 20 TYR QB 2 21 LYS H . . 4.600 2.704 2.646 2.811 . 0 0 "[ . 1]" 1
891 2 20 TYR QB 2 22 ALA H . . 6.000 4.633 4.575 4.714 . 0 0 "[ . 1]" 1
892 2 20 TYR HB2 2 23 ILE MG . . 6.000 3.907 3.817 4.028 . 0 0 "[ . 1]" 1
893 2 20 TYR HB3 2 23 ILE MG . . 6.000 4.265 4.134 4.395 . 0 0 "[ . 1]" 1
894 2 21 LYS H 2 22 ALA H . . 5.000 2.303 2.280 2.348 . 0 0 "[ . 1]" 1
895 2 21 LYS H 2 23 ILE MG . . 6.000 3.783 3.653 3.865 . 0 0 "[ . 1]" 1
896 2 21 LYS HA 2 22 ALA H . . 4.000 3.573 3.565 3.586 . 0 0 "[ . 1]" 1
897 2 21 LYS HA 2 23 ILE H . . 4.000 4.102 4.065 4.137 0.137 1 0 "[ . 1]" 1
898 2 21 LYS HA 2 24 SER H . . 5.000 3.320 3.228 3.453 . 0 0 "[ . 1]" 1
899 2 21 LYS HA 2 24 SER QB . . 5.000 2.661 2.333 3.129 . 0 0 "[ . 1]" 1
900 2 21 LYS HA 2 25 GLU H . . 5.000 3.718 3.605 3.775 . 0 0 "[ . 1]" 1
901 2 21 LYS HA 2 25 GLU QB . . 5.000 4.309 4.123 4.453 . 0 0 "[ . 1]" 1
902 2 21 LYS QB 2 22 ALA H . . 3.600 2.902 2.825 3.250 . 0 0 "[ . 1]" 1
903 2 21 LYS QB 2 22 ALA HA . . 5.600 4.345 4.079 4.757 . 0 0 "[ . 1]" 1
904 2 21 LYS QB 2 22 ALA MB . . 6.600 4.041 3.918 4.462 . 0 0 "[ . 1]" 1
905 2 21 LYS QE 2 22 ALA MB . . 7.000 4.124 3.222 5.091 . 0 0 "[ . 1]" 1
906 2 21 LYS QE 2 25 GLU HB2 . . 6.000 3.401 2.661 4.114 . 0 0 "[ . 1]" 1
907 2 21 LYS QE 2 25 GLU HB3 . . 6.000 4.181 3.418 5.107 . 0 0 "[ . 1]" 1
908 2 21 LYS QE 2 25 GLU QG . . 7.000 4.327 3.567 5.105 . 0 0 "[ . 1]" 1
909 2 21 LYS QG 2 25 GLU QB . . 7.000 3.209 2.931 4.086 . 0 0 "[ . 1]" 1
910 2 21 LYS QG 2 25 GLU QG . . 7.000 4.965 4.673 5.409 . 0 0 "[ . 1]" 1
911 2 22 ALA H 2 23 ILE H . . 4.000 2.506 2.462 2.559 . 0 0 "[ . 1]" 1
912 2 22 ALA H 2 23 ILE MG . . 6.000 3.711 3.539 3.800 . 0 0 "[ . 1]" 1
913 2 22 ALA H 2 25 GLU H . . 5.000 4.707 4.610 4.828 . 0 0 "[ . 1]" 1
914 2 22 ALA HA 2 23 ILE H . . 4.000 3.560 3.553 3.572 . 0 0 "[ . 1]" 1
915 2 22 ALA HA 2 25 GLU H . . 5.000 3.728 3.622 3.860 . 0 0 "[ . 1]" 1
916 2 22 ALA HA 2 25 GLU HB2 . . 5.000 3.767 3.390 4.130 . 0 0 "[ . 1]" 1
917 2 22 ALA HA 2 25 GLU HB3 . . 5.000 3.205 3.065 3.310 . 0 0 "[ . 1]" 1
918 2 22 ALA HA 2 26 GLU H . . 5.000 3.746 3.587 3.830 . 0 0 "[ . 1]" 1
919 2 22 ALA HA 2 26 GLU QB . . 6.000 4.180 4.019 4.284 . 0 0 "[ . 1]" 1
920 2 22 ALA MB 2 23 ILE H . . 5.000 2.818 2.741 2.891 . 0 0 "[ . 1]" 1
921 2 22 ALA MB 2 23 ILE HA . . 6.000 3.927 3.899 3.951 . 0 0 "[ . 1]" 1
922 2 22 ALA MB 2 23 ILE HB . . 6.000 3.976 3.890 4.061 . 0 0 "[ . 1]" 1
923 2 23 ILE H 2 23 ILE HB . . 4.000 2.539 2.499 2.628 . 0 0 "[ . 1]" 1
924 2 23 ILE H 2 23 ILE HG12 . . 5.000 4.554 4.505 4.595 . 0 0 "[ . 1]" 1
925 2 23 ILE H 2 23 ILE HG13 . . 5.000 4.369 4.355 4.384 . 0 0 "[ . 1]" 1
926 2 23 ILE H 2 24 SER H . . 4.000 2.475 2.379 2.575 . 0 0 "[ . 1]" 1
927 2 23 ILE H 2 24 SER HA . . 5.000 5.008 4.935 5.080 0.080 3 0 "[ . 1]" 1
928 2 23 ILE H 2 24 SER QB . . 5.600 4.211 4.069 4.459 . 0 0 "[ . 1]" 1
929 2 23 ILE H 2 25 GLU H . . 4.000 3.914 3.787 4.016 0.016 9 0 "[ . 1]" 1
930 2 23 ILE HA 2 24 SER H . . 4.000 3.621 3.600 3.635 . 0 0 "[ . 1]" 1
931 2 23 ILE HA 2 26 GLU H . . 4.000 3.476 3.304 3.711 . 0 0 "[ . 1]" 1
932 2 23 ILE HA 2 26 GLU HB2 . . 4.000 3.414 3.249 3.690 . 0 0 "[ . 1]" 1
933 2 23 ILE HA 2 26 GLU HB3 . . 4.000 2.689 2.457 3.057 . 0 0 "[ . 1]" 1
934 2 23 ILE HA 2 27 LEU H . . 5.000 3.908 3.747 4.113 . 0 0 "[ . 1]" 1
935 2 23 ILE HB 2 24 SER H . . 4.000 3.844 3.779 3.885 . 0 0 "[ . 1]" 1
936 2 23 ILE MD 2 24 SER H . . 6.000 4.850 4.760 4.955 . 0 0 "[ . 1]" 1
937 2 23 ILE QG 2 27 LEU H . . 6.000 4.177 3.941 4.347 . 0 0 "[ . 1]" 1
938 2 23 ILE QG 2 27 LEU QD . . 8.400 3.259 2.975 3.662 . 0 0 "[ . 1]" 1
939 2 23 ILE MG 2 24 SER H . . 6.000 1.901 1.801 2.053 . 0 0 "[ . 1]" 1
940 2 23 ILE MG 2 24 SER HA . . 6.000 3.132 2.998 3.331 . 0 0 "[ . 1]" 1
941 2 23 ILE MG 2 24 SER HB2 . . 6.000 3.544 3.009 4.388 . 0 0 "[ . 1]" 1
942 2 23 ILE MG 2 24 SER HB3 . . 6.000 3.580 2.943 4.288 . 0 0 "[ . 1]" 1
943 2 23 ILE MG 2 27 LEU QB . . 7.000 4.143 3.956 4.370 . 0 0 "[ . 1]" 1
944 2 24 SER HA 2 25 GLU H . . 5.000 3.612 3.587 3.627 . 0 0 "[ . 1]" 1
945 2 25 GLU H 2 26 GLU H . . 5.000 2.712 2.648 2.846 . 0 0 "[ . 1]" 1
946 2 25 GLU HA 2 26 GLU H . . 4.000 3.637 3.624 3.645 . 0 0 "[ . 1]" 1
947 2 25 GLU HA 2 27 LEU H . . 5.000 3.898 3.733 4.160 . 0 0 "[ . 1]" 1
948 2 25 GLU HA 2 28 ASP H . . 5.000 3.457 3.334 3.581 . 0 0 "[ . 1]" 1
949 2 25 GLU HA 2 28 ASP HB2 . . 4.000 2.880 2.778 3.009 . 0 0 "[ . 1]" 1
950 2 25 GLU HA 2 28 ASP HB3 . . 4.000 4.057 4.005 4.118 0.118 5 0 "[ . 1]" 1
951 2 25 GLU HA 2 29 HIS H . . 5.000 3.854 3.709 4.002 . 0 0 "[ . 1]" 1
952 2 25 GLU QB 2 26 GLU QB . . 5.200 3.729 3.608 3.824 . 0 0 "[ . 1]" 1
953 2 25 GLU QB 2 27 LEU H . . 6.000 4.337 4.169 4.460 . 0 0 "[ . 1]" 1
954 2 25 GLU HB2 2 26 GLU H . . 5.000 3.591 3.406 3.772 . 0 0 "[ . 1]" 1
955 2 25 GLU HB3 2 26 GLU H . . 5.000 2.341 2.044 2.518 . 0 0 "[ . 1]" 1
956 2 25 GLU QG 2 26 GLU HA . . 6.000 4.011 3.743 4.318 . 0 0 "[ . 1]" 1
957 2 25 GLU QG 2 28 ASP HB2 . . 6.000 4.194 4.019 4.337 . 0 0 "[ . 1]" 1
958 2 25 GLU QG 2 28 ASP HB3 . . 6.000 4.517 4.361 4.644 . 0 0 "[ . 1]" 1
959 2 25 GLU HG2 2 26 GLU H . . 5.000 4.180 3.864 4.710 . 0 0 "[ . 1]" 1
960 2 25 GLU HG2 2 29 HIS QB . . 6.000 4.070 3.163 4.659 . 0 0 "[ . 1]" 1
961 2 25 GLU HG3 2 26 GLU H . . 5.000 4.311 3.956 4.781 . 0 0 "[ . 1]" 1
962 2 25 GLU HG3 2 29 HIS QB . . 6.000 3.653 3.045 4.446 . 0 0 "[ . 1]" 1
963 2 26 GLU H 2 26 GLU HB2 . . 4.000 2.245 2.116 2.346 . 0 0 "[ . 1]" 1
964 2 26 GLU H 2 26 GLU HB3 . . 4.000 2.737 2.607 2.913 . 0 0 "[ . 1]" 1
965 2 26 GLU H 2 26 GLU HG2 . . 5.000 4.570 4.457 4.634 . 0 0 "[ . 1]" 1
966 2 26 GLU H 2 26 GLU HG3 . . 5.000 4.234 4.095 4.326 . 0 0 "[ . 1]" 1
967 2 26 GLU H 2 27 LEU H . . 4.000 2.748 2.686 2.862 . 0 0 "[ . 1]" 1
968 2 26 GLU H 2 27 LEU QB . . 5.600 4.430 4.380 4.510 . 0 0 "[ . 1]" 1
969 2 26 GLU HA 2 27 LEU H . . 5.000 3.521 3.487 3.572 . 0 0 "[ . 1]" 1
970 2 26 GLU HA 2 28 ASP H . . 5.000 5.002 4.897 5.089 0.089 3 0 "[ . 1]" 1
971 2 26 GLU HA 2 29 HIS H . . 5.000 3.578 3.507 3.639 . 0 0 "[ . 1]" 1
972 2 26 GLU HA 2 29 HIS QB . . 5.000 2.603 2.421 2.735 . 0 0 "[ . 1]" 1
973 2 26 GLU HB2 2 27 LEU H . . 4.000 3.982 3.814 4.066 0.066 7 0 "[ . 1]" 1
974 2 26 GLU HB3 2 27 LEU H . . 4.000 3.072 2.861 3.190 . 0 0 "[ . 1]" 1
975 2 26 GLU HG2 2 29 HIS QB . . 6.000 4.964 4.546 5.309 . 0 0 "[ . 1]" 1
976 2 26 GLU HG2 2 30 ALA MB . . 6.000 3.429 2.906 3.929 . 0 0 "[ . 1]" 1
977 2 26 GLU HG3 2 29 HIS QB . . 6.000 3.941 3.656 4.243 . 0 0 "[ . 1]" 1
978 2 26 GLU HG3 2 30 ALA MB . . 6.000 3.866 3.210 4.279 . 0 0 "[ . 1]" 1
979 2 27 LEU H 2 27 LEU HG . . 5.000 4.360 4.032 4.474 . 0 0 "[ . 1]" 1
980 2 27 LEU H 2 28 ASP H . . 4.000 2.698 2.603 2.836 . 0 0 "[ . 1]" 1
981 2 27 LEU H 2 29 HIS H . . 4.000 3.727 3.653 3.822 . 0 0 "[ . 1]" 1
982 2 27 LEU HA 2 28 ASP H . . 4.000 3.639 3.636 3.640 . 0 0 "[ . 1]" 1
983 2 27 LEU HA 2 29 HIS H . . 5.000 4.338 4.237 4.482 . 0 0 "[ . 1]" 1
984 2 27 LEU HA 2 30 ALA H . . 5.000 3.165 3.078 3.297 . 0 0 "[ . 1]" 1
985 2 27 LEU HA 2 31 LEU H . . 5.000 4.231 3.854 4.428 . 0 0 "[ . 1]" 1
986 2 27 LEU QB 2 29 HIS H . . 5.000 4.476 4.407 4.524 . 0 0 "[ . 1]" 1
987 2 27 LEU QB 2 30 ALA MB . . 7.000 3.957 3.785 4.097 . 0 0 "[ . 1]" 1
988 2 27 LEU HB2 2 28 ASP H . . 4.000 3.693 3.554 3.907 . 0 0 "[ . 1]" 1
989 2 27 LEU HB3 2 28 ASP H . . 4.000 2.319 2.218 2.558 . 0 0 "[ . 1]" 1
990 2 27 LEU QD 2 28 ASP H . . 7.400 2.852 2.375 3.348 . 0 0 "[ . 1]" 1
991 2 27 LEU HG 2 28 ASP H . . 5.000 4.353 2.575 4.811 . 0 0 "[ . 1]" 1
992 2 28 ASP H 2 30 ALA H . . 4.000 3.997 3.944 4.040 0.040 2 0 "[ . 1]" 1
993 2 28 ASP HA 2 29 HIS H . . 4.000 3.608 3.595 3.620 . 0 0 "[ . 1]" 1
994 2 28 ASP HA 2 31 LEU HB2 . . 4.000 3.520 3.002 4.011 0.011 4 0 "[ . 1]" 1
995 2 28 ASP HA 2 31 LEU HB3 . . 4.000 3.773 3.343 4.044 0.044 6 0 "[ . 1]" 1
996 2 28 ASP HA 2 32 LYS H . . 4.000 4.001 3.874 4.086 0.086 1 0 "[ . 1]" 1
997 2 28 ASP QB 2 32 LYS QD . . 7.000 3.908 2.457 4.858 . 0 0 "[ . 1]" 1
998 2 28 ASP HB2 2 29 HIS H . . 3.000 3.037 2.937 3.106 0.106 3 0 "[ . 1]" 1
999 2 28 ASP HB2 2 29 HIS HA . . 5.000 4.938 4.855 4.988 . 0 0 "[ . 1]" 1
1000 2 28 ASP HB2 2 29 HIS QB . . 5.600 4.539 4.425 4.689 . 0 0 "[ . 1]" 1
1001 2 28 ASP HB2 2 32 LYS QB . . 6.000 5.279 5.221 5.365 . 0 0 "[ . 1]" 1
1002 2 28 ASP HB3 2 29 HIS H . . 3.000 3.019 2.925 3.082 0.082 8 0 "[ . 1]" 1
1003 2 28 ASP HB3 2 29 HIS HA . . 5.000 3.799 3.753 3.822 . 0 0 "[ . 1]" 1
1004 2 28 ASP HB3 2 29 HIS QB . . 5.600 4.308 4.128 4.471 . 0 0 "[ . 1]" 1
1005 2 28 ASP HB3 2 32 LYS QB . . 6.000 3.857 3.792 3.993 . 0 0 "[ . 1]" 1
1006 2 29 HIS H 2 30 ALA H . . 4.000 2.484 2.415 2.574 . 0 0 "[ . 1]" 1
1007 2 29 HIS H 2 31 LEU H . . 4.000 4.039 3.999 4.084 0.084 8 0 "[ . 1]" 1
1008 2 29 HIS HA 2 29 HIS HD2 . . 5.000 3.363 2.031 4.454 . 0 0 "[ . 1]" 1
1009 2 29 HIS HA 2 30 ALA H . . 5.000 3.564 3.523 3.583 . 0 0 "[ . 1]" 1
1010 2 29 HIS HA 2 32 LYS H . . 5.000 3.037 2.932 3.244 . 0 0 "[ . 1]" 1
1011 2 29 HIS HA 2 32 LYS QB . . 5.000 2.142 1.951 2.598 . 0 0 "[ . 1]" 1
1012 2 29 HIS HA 2 32 LYS QD . . 6.000 3.707 2.799 4.636 . 0 0 "[ . 1]" 1
1013 2 29 HIS HA 2 32 LYS QG . . 6.000 4.097 3.609 4.551 . 0 0 "[ . 1]" 1
1014 2 29 HIS HA 2 33 ASP H . . 5.000 3.649 3.362 3.862 . 0 0 "[ . 1]" 1
1015 2 29 HIS HA 2 33 ASP QB . . 6.000 4.497 4.023 4.806 . 0 0 "[ . 1]" 1
1016 2 29 HIS QB 2 30 ALA H . . 4.600 2.927 2.866 3.060 . 0 0 "[ . 1]" 1
1017 2 29 HIS QB 2 30 ALA HA . . 4.600 3.881 3.833 3.950 . 0 0 "[ . 1]" 1
1018 2 29 HIS QB 2 30 ALA MB . . 6.600 4.018 3.962 4.063 . 0 0 "[ . 1]" 1
1019 2 29 HIS QB 2 32 LYS QB . . 7.000 4.047 3.836 4.443 . 0 0 "[ . 1]" 1
1020 2 29 HIS QB 2 33 ASP QB . . 7.000 4.202 3.634 4.696 . 0 0 "[ . 1]" 1
1021 2 30 ALA H 2 31 LEU QB . . 5.600 4.357 4.250 4.416 . 0 0 "[ . 1]" 1
1022 2 30 ALA H 2 32 LYS H . . 4.000 3.951 3.716 4.075 0.075 8 0 "[ . 1]" 1
1023 2 30 ALA HA 2 33 ASP H . . 4.000 3.732 3.561 3.899 . 0 0 "[ . 1]" 1
1024 2 30 ALA HA 2 33 ASP HB2 . . 4.000 3.670 3.106 4.057 0.057 3 0 "[ . 1]" 1
1025 2 30 ALA HA 2 33 ASP HB3 . . 4.000 3.247 2.635 3.631 . 0 0 "[ . 1]" 1
1026 2 30 ALA HA 2 34 MET H . . 5.000 4.941 4.408 5.108 0.108 10 0 "[ . 1]" 1
1027 2 30 ALA MB 2 31 LEU H . . 5.000 2.761 2.632 2.822 . 0 0 "[ . 1]" 1
1028 2 31 LEU H 2 31 LEU HG . . 5.000 4.184 3.791 4.392 . 0 0 "[ . 1]" 1
1029 2 31 LEU H 2 32 LYS H . . 4.000 2.328 2.264 2.456 . 0 0 "[ . 1]" 1
1030 2 31 LEU HA 2 32 LYS H . . 4.000 3.587 3.523 3.622 . 0 0 "[ . 1]" 1
1031 2 31 LEU HA 2 33 ASP H . . 4.000 4.085 4.025 4.228 0.228 10 0 "[ . 1]" 1
1032 2 31 LEU HA 2 33 ASP QB . . 6.000 4.533 4.423 4.744 . 0 0 "[ . 1]" 1
1033 2 31 LEU HA 2 34 MET QG . . 6.000 4.366 3.164 4.833 . 0 0 "[ . 1]" 1
1034 2 31 LEU HB2 2 32 LYS H . . 4.000 3.521 3.296 3.727 . 0 0 "[ . 1]" 1
1035 2 31 LEU HB3 2 32 LYS H . . 4.000 2.941 2.609 3.364 . 0 0 "[ . 1]" 1
1036 2 31 LEU QD 2 32 LYS H . . 7.400 3.883 3.462 4.229 . 0 0 "[ . 1]" 1
1037 2 31 LEU QD 2 34 MET H . . 7.400 3.984 3.424 4.597 . 0 0 "[ . 1]" 1
1038 2 31 LEU QD 2 34 MET QB . . 8.400 3.042 2.412 4.695 . 0 0 "[ . 1]" 1
1039 2 31 LEU QD 2 34 MET HG2 . . 7.400 3.843 3.171 4.356 . 0 0 "[ . 1]" 1
1040 2 31 LEU QD 2 34 MET HG3 . . 7.400 4.696 3.764 5.410 . 0 0 "[ . 1]" 1
1041 2 32 LYS H 2 32 LYS HA . . 3.000 2.782 2.741 2.848 . 0 0 "[ . 1]" 1
1042 2 32 LYS H 2 32 LYS QE . . 6.000 4.850 3.547 5.364 . 0 0 "[ . 1]" 1
1043 2 32 LYS H 2 33 ASP H . . 4.000 2.669 2.455 2.833 . 0 0 "[ . 1]" 1
1044 2 32 LYS H 2 34 MET H . . 4.000 4.020 3.868 4.149 0.149 5 0 "[ . 1]" 1
1045 2 32 LYS HA 2 32 LYS HD2 . . 5.000 3.759 2.957 4.765 . 0 0 "[ . 1]" 1
1046 2 32 LYS HA 2 32 LYS HD3 . . 5.000 4.116 3.224 4.629 . 0 0 "[ . 1]" 1
1047 2 32 LYS HA 2 33 ASP H . . 4.000 3.574 3.542 3.608 . 0 0 "[ . 1]" 1
1048 2 32 LYS HA 2 34 MET H . . 5.000 3.973 3.733 4.420 . 0 0 "[ . 1]" 1
1049 2 32 LYS HA 2 35 THR H . . 4.000 3.346 2.776 4.183 0.183 10 0 "[ . 1]" 1
1050 2 32 LYS QB 2 33 ASP H . . 4.600 2.854 2.662 3.023 . 0 0 "[ . 1]" 1
1051 2 32 LYS QB 2 33 ASP HA . . 5.600 3.990 3.861 4.194 . 0 0 "[ . 1]" 1
1052 2 32 LYS QB 2 33 ASP HB2 . . 5.600 4.393 4.201 4.720 . 0 0 "[ . 1]" 1
1053 2 32 LYS QB 2 33 ASP HB3 . . 5.600 4.955 4.769 5.261 . 0 0 "[ . 1]" 1
1054 2 32 LYS QG 2 33 ASP HA . . 6.000 4.554 3.705 5.401 . 0 0 "[ . 1]" 1
1055 2 33 ASP H 2 33 ASP HA . . 3.000 2.764 2.708 2.807 . 0 0 "[ . 1]" 1
1056 2 33 ASP H 2 33 ASP QB . . 3.600 2.174 2.113 2.192 . 0 0 "[ . 1]" 1
1057 2 33 ASP HA 2 34 MET H . . 4.000 3.562 3.500 3.610 . 0 0 "[ . 1]" 1
1058 2 33 ASP QB 2 34 MET H . . 5.600 2.780 2.526 3.019 . 0 0 "[ . 1]" 1
1059 2 33 ASP QB 2 34 MET HB2 . . 5.600 4.034 3.815 4.941 . 0 0 "[ . 1]" 1
1060 2 33 ASP QB 2 34 MET HB3 . . 5.600 4.671 3.475 4.911 . 0 0 "[ . 1]" 1
1061 2 34 MET H 2 34 MET HA . . 3.000 2.869 2.742 2.920 . 0 0 "[ . 1]" 1
1062 2 34 MET H 2 34 MET HB2 . . 4.000 2.641 2.248 3.614 . 0 0 "[ . 1]" 1
1063 2 34 MET H 2 34 MET HB3 . . 4.000 2.532 2.405 2.633 . 0 0 "[ . 1]" 1
1064 2 34 MET H 2 34 MET HG2 . . 5.000 4.365 2.478 4.646 . 0 0 "[ . 1]" 1
1065 2 34 MET H 2 34 MET HG3 . . 5.000 4.358 3.882 4.610 . 0 0 "[ . 1]" 1
1066 2 34 MET HA 2 34 MET ME . . 6.000 4.335 3.607 4.664 . 0 0 "[ . 1]" 1
1067 2 34 MET HA 2 35 THR MG . . 6.000 3.903 3.546 4.742 . 0 0 "[ . 1]" 1
1068 2 34 MET HA 2 37 ILE MD . . 6.000 4.182 1.925 5.174 . 0 0 "[ . 1]" 1
1069 2 34 MET HA 2 37 ILE QG . . 6.000 4.079 2.663 5.147 . 0 0 "[ . 1]" 1
1070 2 34 MET QB 2 35 THR H . . 4.600 3.414 2.695 4.020 . 0 0 "[ . 1]" 1
1071 2 34 MET QG 2 35 THR H . . 6.000 4.105 2.749 4.441 . 0 0 "[ . 1]" 1
1072 2 34 MET HG2 2 37 ILE MD . . 6.000 3.909 2.788 4.893 . 0 0 "[ . 1]" 1
1073 2 34 MET HG3 2 37 ILE MD . . 6.000 3.304 2.675 4.373 . 0 0 "[ . 1]" 1
1074 2 35 THR H 2 35 THR HB . . 4.000 2.772 1.976 3.205 . 0 0 "[ . 1]" 1
1075 2 35 THR HA 2 35 THR HB . . 2.500 2.628 2.500 2.826 0.326 10 0 "[ . 1]" 1
1076 2 35 THR HA 2 36 SER H . . 4.000 2.650 2.246 3.072 . 0 0 "[ . 1]" 1
1077 2 35 THR HA 2 36 SER QB . . 4.600 4.159 3.889 4.434 . 0 0 "[ . 1]" 1
1078 2 35 THR HA 2 37 ILE H . . 5.000 4.908 4.028 5.378 0.378 8 0 "[ . 1]" 1
1079 2 35 THR HB 2 36 SER H . . 4.000 3.912 3.473 4.349 0.349 8 0 "[ . 1]" 1
1080 2 35 THR HB 2 37 ILE QG . . 6.000 4.844 3.901 5.384 . 0 0 "[ . 1]" 1
1081 2 35 THR MG 2 36 SER H . . 6.000 2.841 1.886 3.865 . 0 0 "[ . 1]" 1
1082 2 35 THR MG 2 36 SER HB2 . . 6.000 4.684 3.916 4.926 . 0 0 "[ . 1]" 1
1083 2 35 THR MG 2 36 SER HB3 . . 6.000 4.174 2.987 4.881 . 0 0 "[ . 1]" 1
1084 2 35 THR MG 2 37 ILE HA . . 6.000 3.291 2.640 4.887 . 0 0 "[ . 1]" 1
1085 2 35 THR MG 2 37 ILE QG . . 7.000 2.554 1.747 3.831 . 0 0 "[ . 1]" 1
1086 2 36 SER H 2 36 SER HA . . 3.000 2.737 2.196 2.915 . 0 0 "[ . 1]" 1
1087 2 36 SER H 2 36 SER HB2 . . 4.000 2.623 2.264 3.172 . 0 0 "[ . 1]" 1
1088 2 36 SER H 2 36 SER HB3 . . 4.000 2.737 2.217 3.743 . 0 0 "[ . 1]" 1
1089 2 36 SER H 2 37 ILE H . . 4.000 3.644 2.549 4.092 0.092 4 0 "[ . 1]" 1
1090 2 36 SER HA 2 37 ILE H . . 3.000 2.528 2.267 3.063 0.063 9 0 "[ . 1]" 1
1091 2 36 SER HA 2 37 ILE HB . . 5.000 4.975 4.797 5.370 0.370 10 0 "[ . 1]" 1
1092 2 36 SER HA 2 37 ILE MD . . 6.000 4.312 2.228 5.365 . 0 0 "[ . 1]" 1
1093 2 36 SER HA 2 37 ILE HG12 . . 5.000 4.250 3.732 5.162 0.162 10 0 "[ . 1]" 1
1094 2 36 SER HA 2 37 ILE HG13 . . 5.000 4.556 3.767 5.197 0.197 4 0 "[ . 1]" 1
1095 2 36 SER QB 2 37 ILE H . . 4.600 4.026 3.851 4.097 . 0 0 "[ . 1]" 1
1096 2 36 SER QB 2 37 ILE QG . . 6.600 4.917 4.572 5.300 . 0 0 "[ . 1]" 1
1097 2 37 ILE H 2 37 ILE HB . . 4.000 2.929 2.566 3.652 . 0 0 "[ . 1]" 1
1098 2 37 ILE H 2 37 ILE HG12 . . 5.000 2.455 1.807 3.632 . 0 0 "[ . 1]" 1
1099 2 37 ILE H 2 37 ILE HG13 . . 5.000 2.496 1.744 3.462 . 0 0 "[ . 1]" 1
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