NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
383551 |
1k1v   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1k1v
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 611
_Distance_constraint_stats_list.Viol_count 1052
_Distance_constraint_stats_list.Viol_total 1252.019
_Distance_constraint_stats_list.Viol_max 0.496
_Distance_constraint_stats_list.Viol_rms 0.0224
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0595
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LEU 1.641 0.496 10 0 "[ . 1 . 2]"
1 2 THR 1.376 0.496 10 0 "[ . 1 . 2]"
1 3 ASP 1.956 0.111 10 0 "[ . 1 . 2]"
1 4 GLU 1.010 0.095 17 0 "[ . 1 . 2]"
1 5 GLU 3.485 0.331 11 0 "[ . 1 . 2]"
1 6 LEU 3.429 0.174 12 0 "[ . 1 . 2]"
1 7 VAL 9.287 0.296 3 0 "[ . 1 . 2]"
1 8 THR 3.581 0.331 11 0 "[ . 1 . 2]"
1 9 MET 3.494 0.262 11 0 "[ . 1 . 2]"
1 10 SER 2.676 0.296 3 0 "[ . 1 . 2]"
1 11 VAL 2.020 0.174 18 0 "[ . 1 . 2]"
1 12 ARG 2.398 0.161 20 0 "[ . 1 . 2]"
1 13 GLU 1.515 0.116 4 0 "[ . 1 . 2]"
1 14 LEU 2.153 0.143 17 0 "[ . 1 . 2]"
1 15 ASN 4.793 0.174 18 0 "[ . 1 . 2]"
1 16 GLN 1.859 0.116 4 0 "[ . 1 . 2]"
1 17 HIS 2.668 0.143 17 0 "[ . 1 . 2]"
1 18 LEU 3.446 0.282 16 0 "[ . 1 . 2]"
1 19 ARG 4.096 0.264 4 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 7.965 0.264 4 0 "[ . 1 . 2]"
1 22 SER 0.409 0.058 4 0 "[ . 1 . 2]"
1 23 LYS 0.914 0.075 11 0 "[ . 1 . 2]"
1 24 GLU 1.760 0.113 1 0 "[ . 1 . 2]"
1 25 GLU 0.173 0.056 15 0 "[ . 1 . 2]"
1 26 ILE 5.501 0.151 18 0 "[ . 1 . 2]"
1 27 ILE 5.721 0.147 14 0 "[ . 1 . 2]"
1 28 GLN 0.786 0.052 11 0 "[ . 1 . 2]"
1 29 LEU 2.431 0.151 18 0 "[ . 1 . 2]"
1 30 LYS 0.585 0.077 2 0 "[ . 1 . 2]"
1 31 GLN 1.961 0.140 12 0 "[ . 1 . 2]"
1 32 ARG 2.052 0.145 18 0 "[ . 1 . 2]"
1 33 ARG 3.659 0.174 12 0 "[ . 1 . 2]"
1 34 ARG 1.588 0.140 12 0 "[ . 1 . 2]"
1 35 THR 6.642 0.163 14 0 "[ . 1 . 2]"
1 36 LEU 1.762 0.162 13 0 "[ . 1 . 2]"
1 37 LYS 0.045 0.045 15 0 "[ . 1 . 2]"
1 38 ASN 3.598 0.134 17 0 "[ . 1 . 2]"
1 39 ARG 0.931 0.076 13 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TYR 0.104 0.038 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LEU HA 1 1 LEU MD1 0.000 . 4.400 2.388 1.921 3.548 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU HA 1 1 LEU HG 0.000 . 3.500 3.265 2.569 3.615 0.115 14 0 "[ . 1 . 2]" 1
3 1 1 LEU HA 1 2 THR H 0.000 . 2.900 2.538 2.239 3.396 0.496 10 0 "[ . 1 . 2]" 1
4 1 1 LEU QB 1 2 THR H 0.000 . 7.000 3.837 1.803 4.013 . 0 0 "[ . 1 . 2]" 1
5 1 1 LEU QD 1 2 THR H 0.000 . 5.300 3.430 1.506 3.869 . 0 0 "[ . 1 . 2]" 1
6 1 1 LEU QD 1 5 GLU H 0.000 . 7.400 4.449 3.408 5.030 . 0 0 "[ . 1 . 2]" 1
7 1 1 LEU QD 1 5 GLU HA 0.000 . 7.400 4.511 4.112 5.011 . 0 0 "[ . 1 . 2]" 1
8 1 1 LEU QD 1 6 LEU H 0.000 . 7.400 3.488 2.613 4.517 . 0 0 "[ . 1 . 2]" 1
9 1 1 LEU QD 1 14 LEU HA 0.000 . 7.400 3.891 2.625 4.362 . 0 0 "[ . 1 . 2]" 1
10 1 1 LEU QD 1 17 HIS H 0.000 . 8.400 4.736 3.712 5.017 . 0 0 "[ . 1 . 2]" 1
11 1 1 LEU MD1 1 5 GLU QB 0.000 . 5.400 2.650 1.940 4.084 . 0 0 "[ . 1 . 2]" 1
12 1 1 LEU MD1 1 6 LEU HA 0.000 . 5.000 3.646 2.633 4.212 . 0 0 "[ . 1 . 2]" 1
13 1 1 LEU MD1 1 6 LEU QB 0.000 . 7.500 4.425 3.319 5.524 . 0 0 "[ . 1 . 2]" 1
14 1 1 LEU MD1 1 9 MET ME 0.000 . 5.900 3.161 1.842 3.918 . 0 0 "[ . 1 . 2]" 1
15 1 1 LEU MD1 1 17 HIS QB 0.000 . 8.500 4.087 2.640 5.083 . 0 0 "[ . 1 . 2]" 1
16 1 1 LEU MD1 1 17 HIS HD2 0.000 . 6.500 4.020 1.945 5.329 . 0 0 "[ . 1 . 2]" 1
17 1 1 LEU MD2 1 5 GLU QB 0.000 . 6.000 3.072 2.293 4.075 . 0 0 "[ . 1 . 2]" 1
18 1 1 LEU MD2 1 6 LEU HA 0.000 . 5.000 3.664 2.927 4.049 . 0 0 "[ . 1 . 2]" 1
19 1 1 LEU MD2 1 6 LEU QD 0.000 . 6.800 2.704 1.815 3.781 . 0 0 "[ . 1 . 2]" 1
20 1 1 LEU MD2 1 7 VAL H 0.000 . 7.500 6.133 5.892 6.220 . 0 0 "[ . 1 . 2]" 1
21 1 1 LEU MD2 1 9 MET ME 0.000 . 5.900 2.242 1.928 2.729 . 0 0 "[ . 1 . 2]" 1
22 1 1 LEU MD2 1 17 HIS QB 0.000 . 7.500 2.786 2.154 3.234 . 0 0 "[ . 1 . 2]" 1
23 1 1 LEU MD2 1 17 HIS HD2 0.000 . 5.000 3.032 2.313 3.847 . 0 0 "[ . 1 . 2]" 1
24 1 1 LEU MD2 1 18 LEU H 0.000 . 6.500 5.228 4.960 5.409 . 0 0 "[ . 1 . 2]" 1
25 1 1 LEU HG 1 2 THR H 0.000 . 6.000 5.150 3.340 5.956 . 0 0 "[ . 1 . 2]" 1
26 1 2 THR H 1 2 THR HA 0.000 . 2.900 2.845 2.744 2.922 0.022 3 0 "[ . 1 . 2]" 1
27 1 2 THR H 1 2 THR MG 0.000 . 4.400 2.734 1.746 3.870 . 0 0 "[ . 1 . 2]" 1
28 1 2 THR H 1 3 ASP H 0.000 . 5.000 4.573 4.340 4.670 . 0 0 "[ . 1 . 2]" 1
29 1 2 THR H 1 5 GLU H 0.000 . 5.000 4.034 3.478 4.481 . 0 0 "[ . 1 . 2]" 1
30 1 2 THR H 1 5 GLU HA 0.000 . 6.000 5.418 4.553 6.050 0.050 18 0 "[ . 1 . 2]" 1
31 1 2 THR H 1 5 GLU QB 0.000 . 4.500 2.651 1.808 3.500 . 0 0 "[ . 1 . 2]" 1
32 1 2 THR H 1 5 GLU QG 0.000 . 6.000 3.125 1.668 4.476 . 0 0 "[ . 1 . 2]" 1
33 1 2 THR H 1 6 LEU H 0.000 . 6.000 4.934 4.201 5.475 . 0 0 "[ . 1 . 2]" 1
34 1 2 THR HA 1 2 THR HB 0.000 . 2.900 2.762 2.496 3.005 0.105 15 0 "[ . 1 . 2]" 1
35 1 2 THR HA 1 3 ASP H 0.000 . 2.900 2.523 2.265 2.840 . 0 0 "[ . 1 . 2]" 1
36 1 2 THR HA 1 3 ASP QB 0.000 . 6.000 4.796 4.487 5.059 . 0 0 "[ . 1 . 2]" 1
37 1 2 THR HA 1 4 GLU H 0.000 . 5.000 4.513 3.941 5.071 0.071 15 0 "[ . 1 . 2]" 1
38 1 2 THR HA 1 5 GLU H 0.000 . 5.000 4.607 4.323 4.926 . 0 0 "[ . 1 . 2]" 1
39 1 2 THR HA 1 5 GLU QB 0.000 . 6.000 4.254 3.806 4.840 . 0 0 "[ . 1 . 2]" 1
40 1 2 THR HA 1 6 LEU HG 0.000 . 6.000 5.362 4.466 6.020 0.020 2 0 "[ . 1 . 2]" 1
41 1 2 THR HB 1 3 ASP H 0.000 . 2.900 2.454 1.959 2.932 0.032 14 0 "[ . 1 . 2]" 1
42 1 2 THR HB 1 4 GLU H 0.000 . 2.900 2.710 2.476 2.995 0.095 17 0 "[ . 1 . 2]" 1
43 1 2 THR MG 1 3 ASP H 0.000 . 4.400 3.080 1.985 3.818 . 0 0 "[ . 1 . 2]" 1
44 1 2 THR MG 1 4 GLU H 0.000 . 5.000 4.061 3.595 4.300 . 0 0 "[ . 1 . 2]" 1
45 1 2 THR MG 1 5 GLU H 0.000 . 6.500 4.435 4.179 4.650 . 0 0 "[ . 1 . 2]" 1
46 1 2 THR MG 1 5 GLU QB 0.000 . 6.000 4.234 3.979 4.401 . 0 0 "[ . 1 . 2]" 1
47 1 3 ASP H 1 3 ASP HA 0.000 . 2.900 2.866 2.780 2.924 0.024 1 0 "[ . 1 . 2]" 1
48 1 3 ASP H 1 3 ASP QB 0.000 . 3.500 2.580 2.163 2.850 . 0 0 "[ . 1 . 2]" 1
49 1 3 ASP H 1 4 GLU H 0.000 . 2.900 2.645 2.435 2.898 . 0 0 "[ . 1 . 2]" 1
50 1 3 ASP H 1 4 GLU HA 0.000 . 6.000 5.282 5.112 5.491 . 0 0 "[ . 1 . 2]" 1
51 1 3 ASP H 1 4 GLU QB 0.000 . 7.000 4.757 4.444 5.155 . 0 0 "[ . 1 . 2]" 1
52 1 3 ASP H 1 5 GLU H 0.000 . 6.000 3.947 3.492 4.372 . 0 0 "[ . 1 . 2]" 1
53 1 3 ASP H 1 36 LEU MD1 0.000 . 6.500 4.760 4.280 5.109 . 0 0 "[ . 1 . 2]" 1
54 1 3 ASP H 1 36 LEU MD2 0.000 . 7.500 5.781 5.032 6.197 . 0 0 "[ . 1 . 2]" 1
55 1 3 ASP HA 1 4 GLU H 0.000 . 3.500 3.517 3.324 3.556 0.056 1 0 "[ . 1 . 2]" 1
56 1 3 ASP HA 1 5 GLU H 0.000 . 5.000 3.920 3.429 4.668 . 0 0 "[ . 1 . 2]" 1
57 1 3 ASP HA 1 6 LEU H 0.000 . 3.500 3.437 3.152 3.600 0.100 13 0 "[ . 1 . 2]" 1
58 1 3 ASP HA 1 6 LEU QB 0.000 . 4.500 3.161 2.675 3.751 . 0 0 "[ . 1 . 2]" 1
59 1 3 ASP HA 1 7 VAL H 0.000 . 5.000 4.940 4.319 5.111 0.111 10 0 "[ . 1 . 2]" 1
60 1 3 ASP HA 1 7 VAL MG2 0.000 . 7.500 4.460 3.877 5.034 . 0 0 "[ . 1 . 2]" 1
61 1 3 ASP HA 1 36 LEU MD2 0.000 . 6.500 4.598 3.871 5.295 . 0 0 "[ . 1 . 2]" 1
62 1 3 ASP QB 1 4 GLU H 0.000 . 3.900 2.560 2.072 3.382 . 0 0 "[ . 1 . 2]" 1
63 1 3 ASP QB 1 6 LEU H 0.000 . 7.000 4.897 4.534 5.295 . 0 0 "[ . 1 . 2]" 1
64 1 3 ASP QB 1 36 LEU HA 0.000 . 7.000 5.884 5.273 6.278 . 0 0 "[ . 1 . 2]" 1
65 1 3 ASP QB 1 36 LEU MD1 0.000 . 5.400 2.193 1.884 2.810 . 0 0 "[ . 1 . 2]" 1
66 1 3 ASP QB 1 36 LEU MD2 0.000 . 5.400 2.741 2.114 3.340 . 0 0 "[ . 1 . 2]" 1
67 1 3 ASP QB 1 41 TYR QD 0.000 . 9.000 5.743 5.152 6.321 . 0 0 "[ . 1 . 2]" 1
68 1 3 ASP QB 1 41 TYR QE 0.000 . 8.000 6.022 5.450 6.485 . 0 0 "[ . 1 . 2]" 1
69 1 4 GLU H 1 4 GLU HA 0.000 . 2.900 2.861 2.816 2.939 0.039 13 0 "[ . 1 . 2]" 1
70 1 4 GLU H 1 4 GLU QB 0.000 . 3.500 2.559 2.045 2.742 . 0 0 "[ . 1 . 2]" 1
71 1 4 GLU H 1 4 GLU QG 0.000 . 3.900 2.113 1.664 3.591 . 0 0 "[ . 1 . 2]" 1
72 1 4 GLU H 1 5 GLU H 0.000 . 2.900 2.608 2.240 2.716 . 0 0 "[ . 1 . 2]" 1
73 1 4 GLU H 1 6 LEU QB 0.000 . 7.000 5.225 4.816 5.526 . 0 0 "[ . 1 . 2]" 1
74 1 4 GLU H 1 7 VAL QG 0.000 . 7.400 4.825 4.440 5.159 . 0 0 "[ . 1 . 2]" 1
75 1 4 GLU H 1 36 LEU MD1 0.000 . 6.500 4.124 3.455 4.851 . 0 0 "[ . 1 . 2]" 1
76 1 4 GLU H 1 36 LEU MD2 0.000 . 7.500 4.925 3.792 5.580 . 0 0 "[ . 1 . 2]" 1
77 1 4 GLU HA 1 4 GLU QG 0.000 . 3.900 2.641 2.309 3.294 . 0 0 "[ . 1 . 2]" 1
78 1 4 GLU HA 1 5 GLU H 0.000 . 3.500 3.447 3.330 3.539 0.039 2 0 "[ . 1 . 2]" 1
79 1 4 GLU HA 1 7 VAL QG 0.000 . 5.300 3.095 2.483 3.640 . 0 0 "[ . 1 . 2]" 1
80 1 4 GLU HA 1 41 TYR QD 0.000 . 7.000 4.003 3.167 4.732 . 0 0 "[ . 1 . 2]" 1
81 1 4 GLU HA 1 41 TYR QE 0.000 . 4.900 3.220 2.567 4.061 . 0 0 "[ . 1 . 2]" 1
82 1 4 GLU QB 1 5 GLU H 0.000 . 3.900 2.938 2.212 3.525 . 0 0 "[ . 1 . 2]" 1
83 1 4 GLU QB 1 41 TYR QE 0.000 . 9.000 3.470 2.872 4.400 . 0 0 "[ . 1 . 2]" 1
84 1 4 GLU QG 1 41 TYR QE 0.000 . 8.000 4.047 2.884 6.090 . 0 0 "[ . 1 . 2]" 1
85 1 5 GLU H 1 5 GLU HA 0.000 . 2.900 2.898 2.762 2.958 0.058 19 0 "[ . 1 . 2]" 1
86 1 5 GLU H 1 5 GLU QB 0.000 . 3.500 2.201 2.058 2.463 . 0 0 "[ . 1 . 2]" 1
87 1 5 GLU H 1 5 GLU QG 0.000 . 3.900 2.966 2.180 3.624 . 0 0 "[ . 1 . 2]" 1
88 1 5 GLU HA 1 5 GLU QG 0.000 . 3.900 2.400 2.139 2.789 . 0 0 "[ . 1 . 2]" 1
89 1 5 GLU HA 1 6 LEU H 0.000 . 3.500 3.537 3.383 3.568 0.068 2 0 "[ . 1 . 2]" 1
90 1 5 GLU HA 1 7 VAL H 0.000 . 5.000 3.984 3.576 4.482 . 0 0 "[ . 1 . 2]" 1
91 1 5 GLU HA 1 8 THR H 0.000 . 3.500 3.416 3.158 3.638 0.138 17 0 "[ . 1 . 2]" 1
92 1 5 GLU HA 1 8 THR HB 0.000 . 3.500 3.563 3.376 3.831 0.331 11 0 "[ . 1 . 2]" 1
93 1 5 GLU HA 1 8 THR MG 0.000 . 5.000 3.576 1.932 3.974 . 0 0 "[ . 1 . 2]" 1
94 1 5 GLU HA 1 9 MET H 0.000 . 5.000 3.771 3.338 4.405 . 0 0 "[ . 1 . 2]" 1
95 1 5 GLU HA 1 9 MET QG 0.000 . 7.000 3.910 3.017 4.821 . 0 0 "[ . 1 . 2]" 1
96 1 5 GLU QB 1 6 LEU H 0.000 . 4.500 2.569 2.237 3.140 . 0 0 "[ . 1 . 2]" 1
97 1 5 GLU QB 1 7 VAL H 0.000 . 7.000 4.503 4.227 4.842 . 0 0 "[ . 1 . 2]" 1
98 1 6 LEU H 1 6 LEU HA 0.000 . 2.900 2.794 2.729 2.948 0.048 11 0 "[ . 1 . 2]" 1
99 1 6 LEU H 1 6 LEU QB 0.000 . 3.500 2.399 2.168 2.634 . 0 0 "[ . 1 . 2]" 1
100 1 6 LEU H 1 6 LEU QD 0.000 . 4.600 3.095 2.522 3.439 . 0 0 "[ . 1 . 2]" 1
101 1 6 LEU H 1 6 LEU HG 0.000 . 2.900 2.348 1.904 2.986 0.086 11 0 "[ . 1 . 2]" 1
102 1 6 LEU H 1 7 VAL H 0.000 . 2.900 2.794 2.281 3.020 0.120 18 0 "[ . 1 . 2]" 1
103 1 6 LEU H 1 7 VAL QG 0.000 . 7.400 3.771 3.538 4.029 . 0 0 "[ . 1 . 2]" 1
104 1 6 LEU H 1 8 THR H 0.000 . 6.000 4.582 3.791 4.860 . 0 0 "[ . 1 . 2]" 1
105 1 6 LEU H 1 36 LEU MD1 0.000 . 5.000 4.006 3.561 4.255 . 0 0 "[ . 1 . 2]" 1
106 1 6 LEU HA 1 7 VAL H 0.000 . 3.500 3.484 3.424 3.526 0.026 18 0 "[ . 1 . 2]" 1
107 1 6 LEU HA 1 9 MET ME 0.000 . 4.400 3.493 3.324 3.878 . 0 0 "[ . 1 . 2]" 1
108 1 6 LEU QB 1 7 VAL H 0.000 . 4.500 2.571 2.228 2.865 . 0 0 "[ . 1 . 2]" 1
109 1 6 LEU QB 1 7 VAL HA 0.000 . 4.500 3.831 3.683 3.931 . 0 0 "[ . 1 . 2]" 1
110 1 6 LEU QB 1 7 VAL HB 0.000 . 6.000 4.722 4.204 5.023 . 0 0 "[ . 1 . 2]" 1
111 1 6 LEU QB 1 7 VAL MG1 0.000 . 6.000 4.582 4.419 4.686 . 0 0 "[ . 1 . 2]" 1
112 1 6 LEU QB 1 7 VAL MG2 0.000 . 5.400 2.618 2.399 2.796 . 0 0 "[ . 1 . 2]" 1
113 1 6 LEU QB 1 33 ARG HA 0.000 . 7.000 2.589 2.268 2.897 . 0 0 "[ . 1 . 2]" 1
114 1 6 LEU QD 1 7 VAL H 0.000 . 5.900 4.034 3.860 4.195 . 0 0 "[ . 1 . 2]" 1
115 1 6 LEU QD 1 33 ARG H 0.000 . 5.300 2.887 2.583 3.218 . 0 0 "[ . 1 . 2]" 1
116 1 6 LEU QD 1 33 ARG HA 0.000 . 5.300 2.798 2.494 3.034 . 0 0 "[ . 1 . 2]" 1
117 1 6 LEU QD 1 34 ARG H 0.000 . 7.400 4.780 4.508 5.124 . 0 0 "[ . 1 . 2]" 1
118 1 6 LEU HG 1 7 VAL H 0.000 . 5.000 4.416 3.973 4.836 . 0 0 "[ . 1 . 2]" 1
119 1 6 LEU HG 1 33 ARG HA 0.000 . 5.000 5.078 5.023 5.174 0.174 12 0 "[ . 1 . 2]" 1
120 1 7 VAL H 1 7 VAL HA 0.000 . 2.900 2.919 2.865 2.959 0.059 20 0 "[ . 1 . 2]" 1
121 1 7 VAL H 1 7 VAL HB 0.000 . 2.900 2.734 2.449 2.939 0.039 10 0 "[ . 1 . 2]" 1
122 1 7 VAL H 1 7 VAL MG1 0.000 . 4.400 3.734 3.688 3.806 . 0 0 "[ . 1 . 2]" 1
123 1 7 VAL H 1 7 VAL MG2 0.000 . 4.400 1.845 1.608 2.320 . 0 0 "[ . 1 . 2]" 1
124 1 7 VAL H 1 8 THR H 0.000 . 2.900 2.577 2.114 2.797 . 0 0 "[ . 1 . 2]" 1
125 1 7 VAL H 1 8 THR MG 0.000 . 6.500 4.832 3.571 5.223 . 0 0 "[ . 1 . 2]" 1
126 1 7 VAL H 1 9 MET H 0.000 . 3.500 3.607 3.472 3.762 0.262 11 0 "[ . 1 . 2]" 1
127 1 7 VAL H 1 36 LEU MD1 0.000 . 5.000 3.317 3.056 3.807 . 0 0 "[ . 1 . 2]" 1
128 1 7 VAL HA 1 7 VAL HB 0.000 . 2.900 3.014 2.976 3.038 0.138 15 0 "[ . 1 . 2]" 1
129 1 7 VAL HA 1 8 THR H 0.000 . 3.500 3.554 3.508 3.579 0.079 2 0 "[ . 1 . 2]" 1
130 1 7 VAL HA 1 9 MET H 0.000 . 5.000 3.816 3.578 4.267 . 0 0 "[ . 1 . 2]" 1
131 1 7 VAL HA 1 10 SER H 0.000 . 6.000 6.102 6.031 6.296 0.296 3 0 "[ . 1 . 2]" 1
132 1 7 VAL HA 1 33 ARG QG 0.000 . 4.500 3.275 2.401 3.862 . 0 0 "[ . 1 . 2]" 1
133 1 7 VAL HB 1 8 THR H 0.000 . 3.500 2.185 2.001 2.526 . 0 0 "[ . 1 . 2]" 1
134 1 7 VAL HB 1 8 THR HA 0.000 . 6.000 3.936 3.764 4.178 . 0 0 "[ . 1 . 2]" 1
135 1 7 VAL HB 1 8 THR MG 0.000 . 5.000 3.843 3.374 4.279 . 0 0 "[ . 1 . 2]" 1
136 1 7 VAL HB 1 36 LEU QB 0.000 . 4.500 4.006 3.482 4.168 . 0 0 "[ . 1 . 2]" 1
137 1 7 VAL HB 1 36 LEU MD1 0.000 . 5.000 4.001 3.634 4.095 . 0 0 "[ . 1 . 2]" 1
138 1 7 VAL HB 1 36 LEU MD2 0.000 . 6.500 4.988 4.317 5.348 . 0 0 "[ . 1 . 2]" 1
139 1 7 VAL HB 1 37 LYS QG 0.000 . 6.000 4.722 4.188 5.343 . 0 0 "[ . 1 . 2]" 1
140 1 7 VAL HB 1 41 TYR QD 0.000 . 8.000 3.306 2.395 3.924 . 0 0 "[ . 1 . 2]" 1
141 1 7 VAL QG 1 8 THR HA 0.000 . 5.900 3.797 3.519 4.035 . 0 0 "[ . 1 . 2]" 1
142 1 7 VAL QG 1 33 ARG QG 0.000 . 9.400 3.169 2.449 3.575 . 0 0 "[ . 1 . 2]" 1
143 1 7 VAL QG 1 36 LEU HA 0.000 . 5.900 3.869 3.768 3.979 . 0 0 "[ . 1 . 2]" 1
144 1 7 VAL QG 1 37 LYS H 0.000 . 5.900 3.081 2.801 3.365 . 0 0 "[ . 1 . 2]" 1
145 1 7 VAL QG 1 41 TYR H 0.000 . 8.400 5.428 4.935 5.681 . 0 0 "[ . 1 . 2]" 1
146 1 7 VAL MG1 1 8 THR H 0.000 . 4.400 3.515 3.307 3.664 . 0 0 "[ . 1 . 2]" 1
147 1 7 VAL MG1 1 33 ARG HA 0.000 . 6.500 5.001 4.630 5.310 . 0 0 "[ . 1 . 2]" 1
148 1 7 VAL MG1 1 36 LEU H 0.000 . 6.500 5.210 4.816 5.390 . 0 0 "[ . 1 . 2]" 1
149 1 7 VAL MG1 1 36 LEU MD2 0.000 . 6.500 4.275 4.164 4.341 . 0 0 "[ . 1 . 2]" 1
150 1 7 VAL MG1 1 37 LYS QG 0.000 . 5.400 2.126 1.836 2.712 . 0 0 "[ . 1 . 2]" 1
151 1 7 VAL MG1 1 41 TYR QB 0.000 . 6.000 3.820 3.022 4.067 . 0 0 "[ . 1 . 2]" 1
152 1 7 VAL MG1 1 41 TYR QD 0.000 . 6.400 2.779 2.382 3.345 . 0 0 "[ . 1 . 2]" 1
153 1 7 VAL MG2 1 9 MET H 0.000 . 7.500 4.735 4.538 5.140 . 0 0 "[ . 1 . 2]" 1
154 1 7 VAL MG2 1 33 ARG HA 0.000 . 6.500 3.393 2.422 3.921 . 0 0 "[ . 1 . 2]" 1
155 1 7 VAL MG2 1 36 LEU H 0.000 . 6.500 4.076 3.687 4.349 . 0 0 "[ . 1 . 2]" 1
156 1 7 VAL MG2 1 36 LEU QB 0.000 . 5.400 1.781 1.723 1.830 . 0 0 "[ . 1 . 2]" 1
157 1 7 VAL MG2 1 36 LEU MD2 0.000 . 6.500 2.903 2.631 3.303 . 0 0 "[ . 1 . 2]" 1
158 1 7 VAL MG2 1 37 LYS HA 0.000 . 5.000 4.024 3.455 4.174 . 0 0 "[ . 1 . 2]" 1
159 1 7 VAL MG2 1 37 LYS QG 0.000 . 5.400 3.013 2.419 3.562 . 0 0 "[ . 1 . 2]" 1
160 1 7 VAL MG2 1 41 TYR QD 0.000 . 7.000 2.552 2.150 3.505 . 0 0 "[ . 1 . 2]" 1
161 1 7 VAL MG2 1 41 TYR QE 0.000 . 8.500 3.419 2.161 4.548 . 0 0 "[ . 1 . 2]" 1
162 1 8 THR H 1 8 THR HA 0.000 . 2.900 2.782 2.763 2.808 . 0 0 "[ . 1 . 2]" 1
163 1 8 THR H 1 8 THR HB 0.000 . 3.500 3.404 2.346 3.582 0.082 12 0 "[ . 1 . 2]" 1
164 1 8 THR H 1 8 THR MG 0.000 . 4.400 2.794 2.132 3.052 . 0 0 "[ . 1 . 2]" 1
165 1 8 THR H 1 9 MET H 0.000 . 2.900 2.732 2.594 2.855 . 0 0 "[ . 1 . 2]" 1
166 1 8 THR H 1 9 MET HA 0.000 . 6.000 5.382 5.292 5.441 . 0 0 "[ . 1 . 2]" 1
167 1 8 THR H 1 9 MET QB 0.000 . 6.000 4.733 4.412 5.425 . 0 0 "[ . 1 . 2]" 1
168 1 8 THR H 1 9 MET QG 0.000 . 7.000 4.633 3.664 5.528 . 0 0 "[ . 1 . 2]" 1
169 1 8 THR HA 1 9 MET H 0.000 . 3.500 3.466 3.419 3.526 0.026 20 0 "[ . 1 . 2]" 1
170 1 8 THR HB 1 9 MET H 0.000 . 3.500 3.324 2.843 3.720 0.220 17 0 "[ . 1 . 2]" 1
171 1 8 THR MG 1 9 MET H 0.000 . 5.000 4.047 1.795 4.282 . 0 0 "[ . 1 . 2]" 1
172 1 8 THR MG 1 41 TYR QD 0.000 . 8.500 5.355 4.740 6.155 . 0 0 "[ . 1 . 2]" 1
173 1 9 MET H 1 9 MET HA 0.000 . 2.900 2.951 2.940 2.962 0.062 11 0 "[ . 1 . 2]" 1
174 1 9 MET H 1 9 MET QB 0.000 . 3.500 2.348 2.124 3.005 . 0 0 "[ . 1 . 2]" 1
175 1 9 MET H 1 9 MET ME 0.000 . 6.500 4.443 4.180 4.922 . 0 0 "[ . 1 . 2]" 1
176 1 9 MET H 1 9 MET QG 0.000 . 3.900 2.613 1.615 3.425 . 0 0 "[ . 1 . 2]" 1
177 1 9 MET H 1 10 SER H 0.000 . 5.000 4.241 4.064 4.512 . 0 0 "[ . 1 . 2]" 1
178 1 9 MET HA 1 9 MET QG 0.000 . 3.900 2.511 2.132 3.294 . 0 0 "[ . 1 . 2]" 1
179 1 9 MET HA 1 10 SER H 0.000 . 2.900 2.200 2.116 2.258 . 0 0 "[ . 1 . 2]" 1
180 1 9 MET HA 1 13 GLU H 0.000 . 6.000 4.932 4.217 5.436 . 0 0 "[ . 1 . 2]" 1
181 1 9 MET HA 1 13 GLU QB 0.000 . 7.000 2.725 2.138 3.313 . 0 0 "[ . 1 . 2]" 1
182 1 9 MET QB 1 10 SER H 0.000 . 4.500 3.621 3.134 3.802 . 0 0 "[ . 1 . 2]" 1
183 1 9 MET QB 1 14 LEU H 0.000 . 7.000 3.442 2.804 4.472 . 0 0 "[ . 1 . 2]" 1
184 1 9 MET QB 1 14 LEU QB 0.000 . 7.000 3.254 2.488 5.077 . 0 0 "[ . 1 . 2]" 1
185 1 9 MET ME 1 10 SER H 0.000 . 7.500 5.297 5.007 5.549 . 0 0 "[ . 1 . 2]" 1
186 1 9 MET ME 1 14 LEU H 0.000 . 5.000 3.512 3.007 4.053 . 0 0 "[ . 1 . 2]" 1
187 1 9 MET ME 1 14 LEU HA 0.000 . 4.400 1.997 1.898 2.227 . 0 0 "[ . 1 . 2]" 1
188 1 9 MET ME 1 14 LEU QD 0.000 . 6.800 2.420 2.064 3.154 . 0 0 "[ . 1 . 2]" 1
189 1 9 MET ME 1 15 ASN H 0.000 . 7.500 4.727 4.500 5.030 . 0 0 "[ . 1 . 2]" 1
190 1 9 MET ME 1 16 GLN QB 0.000 . 5.400 3.968 3.626 4.117 . 0 0 "[ . 1 . 2]" 1
191 1 9 MET ME 1 17 HIS H 0.000 . 7.500 3.617 3.375 3.865 . 0 0 "[ . 1 . 2]" 1
192 1 9 MET ME 1 17 HIS QB 0.000 . 6.000 2.331 1.999 2.714 . 0 0 "[ . 1 . 2]" 1
193 1 9 MET ME 1 17 HIS HD2 0.000 . 4.400 3.363 2.894 3.661 . 0 0 "[ . 1 . 2]" 1
194 1 9 MET QG 1 10 SER H 0.000 . 6.000 4.107 3.825 4.444 . 0 0 "[ . 1 . 2]" 1
195 1 9 MET QG 1 14 LEU H 0.000 . 6.000 4.537 3.451 5.239 . 0 0 "[ . 1 . 2]" 1
196 1 9 MET QG 1 14 LEU QB 0.000 . 8.000 4.366 2.664 5.210 . 0 0 "[ . 1 . 2]" 1
197 1 10 SER H 1 10 SER HA 0.000 . 2.900 2.811 2.746 2.906 0.006 20 0 "[ . 1 . 2]" 1
198 1 10 SER H 1 10 SER QB 0.000 . 3.500 2.438 2.170 2.848 . 0 0 "[ . 1 . 2]" 1
199 1 10 SER H 1 11 VAL H 0.000 . 5.000 4.326 3.565 4.685 . 0 0 "[ . 1 . 2]" 1
200 1 10 SER H 1 13 GLU H 0.000 . 5.000 4.089 3.829 4.324 . 0 0 "[ . 1 . 2]" 1
201 1 10 SER H 1 13 GLU QB 0.000 . 3.900 2.966 2.422 3.605 . 0 0 "[ . 1 . 2]" 1
202 1 10 SER H 1 13 GLU QG 0.000 . 6.000 3.905 2.688 5.429 . 0 0 "[ . 1 . 2]" 1
203 1 10 SER HA 1 11 VAL H 0.000 . 3.500 2.791 2.247 3.461 . 0 0 "[ . 1 . 2]" 1
204 1 10 SER HA 1 12 ARG H 0.000 . 5.000 4.888 4.204 5.123 0.123 2 0 "[ . 1 . 2]" 1
205 1 10 SER HA 1 13 GLU H 0.000 . 6.000 5.004 4.496 5.917 . 0 0 "[ . 1 . 2]" 1
206 1 10 SER QB 1 11 VAL H 0.000 . 6.000 2.375 1.712 3.548 . 0 0 "[ . 1 . 2]" 1
207 1 10 SER QB 1 12 ARG H 0.000 . 7.000 3.205 2.425 3.664 . 0 0 "[ . 1 . 2]" 1
208 1 10 SER QB 1 13 GLU H 0.000 . 6.000 3.447 2.626 4.650 . 0 0 "[ . 1 . 2]" 1
209 1 11 VAL H 1 11 VAL HA 0.000 . 2.900 2.858 2.745 2.972 0.072 2 0 "[ . 1 . 2]" 1
210 1 11 VAL H 1 11 VAL HB 0.000 . 3.500 2.693 2.438 2.990 . 0 0 "[ . 1 . 2]" 1
211 1 11 VAL H 1 12 ARG H 0.000 . 3.500 2.583 1.627 3.160 . 0 0 "[ . 1 . 2]" 1
212 1 11 VAL HA 1 12 ARG H 0.000 . 5.000 3.540 3.457 3.580 . 0 0 "[ . 1 . 2]" 1
213 1 11 VAL HA 1 13 GLU H 0.000 . 5.000 4.364 3.842 4.791 . 0 0 "[ . 1 . 2]" 1
214 1 11 VAL HA 1 14 LEU H 0.000 . 3.500 3.217 2.802 3.458 . 0 0 "[ . 1 . 2]" 1
215 1 11 VAL HA 1 14 LEU HA 0.000 . 6.000 5.049 4.603 5.409 . 0 0 "[ . 1 . 2]" 1
216 1 11 VAL HA 1 14 LEU QB 0.000 . 3.900 2.238 1.945 2.509 . 0 0 "[ . 1 . 2]" 1
217 1 11 VAL HA 1 14 LEU HG 0.000 . 5.000 4.677 4.254 5.043 0.043 2 0 "[ . 1 . 2]" 1
218 1 11 VAL HA 1 15 ASN H 0.000 . 3.500 3.566 3.283 3.674 0.174 18 0 "[ . 1 . 2]" 1
219 1 11 VAL HB 1 12 ARG H 0.000 . 3.500 2.410 2.000 2.876 . 0 0 "[ . 1 . 2]" 1
220 1 11 VAL MG1 1 12 ARG H 0.000 . 5.000 3.411 2.899 3.918 . 0 0 "[ . 1 . 2]" 1
221 1 11 VAL MG1 1 14 LEU H 0.000 . 6.500 4.441 4.018 4.723 . 0 0 "[ . 1 . 2]" 1
222 1 11 VAL MG1 1 14 LEU QB 0.000 . 6.000 3.347 2.867 3.796 . 0 0 "[ . 1 . 2]" 1
223 1 11 VAL MG1 1 15 ASN H 0.000 . 5.000 3.589 3.216 3.841 . 0 0 "[ . 1 . 2]" 1
224 1 11 VAL MG1 1 15 ASN QD 0.000 . 6.000 2.543 1.675 4.168 . 0 0 "[ . 1 . 2]" 1
225 1 11 VAL MG2 1 12 ARG H 0.000 . 6.500 3.661 3.327 3.867 . 0 0 "[ . 1 . 2]" 1
226 1 11 VAL MG2 1 15 ASN H 0.000 . 7.500 5.267 5.081 5.402 . 0 0 "[ . 1 . 2]" 1
227 1 12 ARG H 1 12 ARG HA 0.000 . 2.900 2.833 2.771 2.917 0.017 13 0 "[ . 1 . 2]" 1
228 1 12 ARG H 1 12 ARG QB 0.000 . 3.500 2.352 2.097 2.680 . 0 0 "[ . 1 . 2]" 1
229 1 12 ARG H 1 12 ARG QD 0.000 . 6.000 3.788 2.075 4.770 . 0 0 "[ . 1 . 2]" 1
230 1 12 ARG H 1 12 ARG QG 0.000 . 4.500 2.933 1.670 4.060 . 0 0 "[ . 1 . 2]" 1
231 1 12 ARG H 1 13 GLU H 0.000 . 2.900 2.727 2.337 2.953 0.053 20 0 "[ . 1 . 2]" 1
232 1 12 ARG H 1 13 GLU QB 0.000 . 7.000 4.601 4.121 4.989 . 0 0 "[ . 1 . 2]" 1
233 1 12 ARG H 1 14 LEU H 0.000 . 6.000 3.907 3.601 4.224 . 0 0 "[ . 1 . 2]" 1
234 1 12 ARG H 1 15 ASN H 0.000 . 6.000 4.590 4.328 4.735 . 0 0 "[ . 1 . 2]" 1
235 1 12 ARG HA 1 15 ASN H 0.000 . 3.500 3.582 3.531 3.661 0.161 20 0 "[ . 1 . 2]" 1
236 1 12 ARG HA 1 15 ASN QB 0.000 . 3.900 2.809 2.540 3.230 . 0 0 "[ . 1 . 2]" 1
237 1 12 ARG HA 1 15 ASN QD 0.000 . 4.500 3.545 2.264 4.040 . 0 0 "[ . 1 . 2]" 1
238 1 12 ARG QB 1 13 GLU H 0.000 . 3.900 2.674 2.188 3.570 . 0 0 "[ . 1 . 2]" 1
239 1 12 ARG QD 1 13 GLU H 0.000 . 7.000 4.568 3.912 5.392 . 0 0 "[ . 1 . 2]" 1
240 1 12 ARG QG 1 13 GLU H 0.000 . 7.000 3.386 1.778 4.473 . 0 0 "[ . 1 . 2]" 1
241 1 13 GLU H 1 14 LEU H 0.000 . 2.900 2.453 2.200 2.678 . 0 0 "[ . 1 . 2]" 1
242 1 13 GLU H 1 14 LEU HA 0.000 . 6.000 5.139 4.944 5.334 . 0 0 "[ . 1 . 2]" 1
243 1 13 GLU H 1 15 ASN H 0.000 . 5.000 4.142 3.778 4.390 . 0 0 "[ . 1 . 2]" 1
244 1 13 GLU HA 1 14 LEU H 0.000 . 3.500 3.484 3.436 3.538 0.038 6 0 "[ . 1 . 2]" 1
245 1 13 GLU HA 1 16 GLN H 0.000 . 3.500 3.566 3.512 3.616 0.116 4 0 "[ . 1 . 2]" 1
246 1 13 GLU QB 1 14 LEU H 0.000 . 3.900 2.723 2.459 2.937 . 0 0 "[ . 1 . 2]" 1
247 1 13 GLU QB 1 15 ASN H 0.000 . 6.000 4.835 4.648 5.034 . 0 0 "[ . 1 . 2]" 1
248 1 13 GLU QG 1 14 LEU H 0.000 . 6.000 4.188 3.837 4.680 . 0 0 "[ . 1 . 2]" 1
249 1 14 LEU H 1 14 LEU HA 0.000 . 2.900 2.897 2.863 2.921 0.021 17 0 "[ . 1 . 2]" 1
250 1 14 LEU H 1 14 LEU QB 0.000 . 3.500 2.224 2.104 2.288 . 0 0 "[ . 1 . 2]" 1
251 1 14 LEU H 1 14 LEU QD 0.000 . 5.200 3.721 3.676 3.754 . 0 0 "[ . 1 . 2]" 1
252 1 14 LEU H 1 14 LEU HG 0.000 . 5.000 4.303 3.885 4.436 . 0 0 "[ . 1 . 2]" 1
253 1 14 LEU H 1 15 ASN H 0.000 . 2.900 2.537 2.453 2.644 . 0 0 "[ . 1 . 2]" 1
254 1 14 LEU H 1 15 ASN QB 0.000 . 7.000 4.377 4.186 4.540 . 0 0 "[ . 1 . 2]" 1
255 1 14 LEU H 1 16 GLN H 0.000 . 5.000 3.747 3.492 4.023 . 0 0 "[ . 1 . 2]" 1
256 1 14 LEU H 1 17 HIS H 0.000 . 6.000 5.053 4.779 5.266 . 0 0 "[ . 1 . 2]" 1
257 1 14 LEU HA 1 14 LEU HG 0.000 . 3.500 2.816 2.173 3.347 . 0 0 "[ . 1 . 2]" 1
258 1 14 LEU HA 1 15 ASN H 0.000 . 3.500 3.541 3.525 3.555 0.055 11 0 "[ . 1 . 2]" 1
259 1 14 LEU HA 1 16 GLN H 0.000 . 5.000 3.704 3.526 4.120 . 0 0 "[ . 1 . 2]" 1
260 1 14 LEU HA 1 17 HIS H 0.000 . 3.500 3.332 3.155 3.525 0.025 5 0 "[ . 1 . 2]" 1
261 1 14 LEU HA 1 17 HIS QB 0.000 . 4.500 3.039 2.668 3.574 . 0 0 "[ . 1 . 2]" 1
262 1 14 LEU HA 1 17 HIS HD2 0.000 . 3.500 3.545 3.446 3.643 0.143 17 0 "[ . 1 . 2]" 1
263 1 14 LEU HA 1 18 LEU H 0.000 . 5.000 4.225 3.801 4.709 . 0 0 "[ . 1 . 2]" 1
264 1 14 LEU QB 1 15 ASN H 0.000 . 3.900 2.388 2.243 2.540 . 0 0 "[ . 1 . 2]" 1
265 1 14 LEU QD 1 15 ASN H 0.000 . 5.900 3.644 3.466 3.807 . 0 0 "[ . 1 . 2]" 1
266 1 14 LEU QD 1 17 HIS H 0.000 . 5.900 3.998 3.600 4.455 . 0 0 "[ . 1 . 2]" 1
267 1 14 LEU QD 1 17 HIS QB 0.000 . 8.400 3.316 2.978 3.652 . 0 0 "[ . 1 . 2]" 1
268 1 14 LEU HG 1 15 ASN H 0.000 . 5.000 3.792 2.988 4.863 . 0 0 "[ . 1 . 2]" 1
269 1 14 LEU HG 1 16 GLN H 0.000 . 6.000 4.993 4.515 5.807 . 0 0 "[ . 1 . 2]" 1
270 1 14 LEU HG 1 18 LEU HG 0.000 . 6.000 2.992 2.217 4.712 . 0 0 "[ . 1 . 2]" 1
271 1 15 ASN H 1 15 ASN HA 0.000 . 2.900 2.836 2.788 2.879 . 0 0 "[ . 1 . 2]" 1
272 1 15 ASN H 1 15 ASN QB 0.000 . 3.500 2.351 2.188 2.606 . 0 0 "[ . 1 . 2]" 1
273 1 15 ASN H 1 16 GLN H 0.000 . 2.900 2.661 2.546 2.810 . 0 0 "[ . 1 . 2]" 1
274 1 15 ASN H 1 16 GLN QB 0.000 . 6.000 4.319 4.182 4.748 . 0 0 "[ . 1 . 2]" 1
275 1 15 ASN H 1 16 GLN QG 0.000 . 7.000 5.438 4.208 6.265 . 0 0 "[ . 1 . 2]" 1
276 1 15 ASN H 1 17 HIS H 0.000 . 5.000 4.305 4.151 4.514 . 0 0 "[ . 1 . 2]" 1
277 1 15 ASN HA 1 16 GLN H 0.000 . 3.500 3.425 3.336 3.518 0.018 12 0 "[ . 1 . 2]" 1
278 1 15 ASN HA 1 18 LEU H 0.000 . 3.500 3.318 2.981 3.559 0.059 4 0 "[ . 1 . 2]" 1
279 1 15 ASN HA 1 18 LEU QB 0.000 . 4.500 2.545 2.135 4.144 . 0 0 "[ . 1 . 2]" 1
280 1 15 ASN HA 1 18 LEU QD 0.000 . 5.300 2.324 1.977 2.729 . 0 0 "[ . 1 . 2]" 1
281 1 15 ASN HA 1 18 LEU HG 0.000 . 3.500 3.301 2.186 3.606 0.106 5 0 "[ . 1 . 2]" 1
282 1 15 ASN HA 1 19 ARG H 0.000 . 6.000 4.418 3.716 5.240 . 0 0 "[ . 1 . 2]" 1
283 1 15 ASN QB 1 16 GLN H 0.000 . 3.900 2.937 2.547 3.190 . 0 0 "[ . 1 . 2]" 1
284 1 15 ASN QB 1 18 LEU H 0.000 . 7.000 4.970 4.552 5.270 . 0 0 "[ . 1 . 2]" 1
285 1 16 GLN H 1 16 GLN HA 0.000 . 2.900 2.894 2.825 2.947 0.047 16 0 "[ . 1 . 2]" 1
286 1 16 GLN H 1 16 GLN QB 0.000 . 3.500 2.085 2.020 2.456 . 0 0 "[ . 1 . 2]" 1
287 1 16 GLN H 1 16 GLN QG 0.000 . 3.900 3.397 2.052 3.933 0.033 14 0 "[ . 1 . 2]" 1
288 1 16 GLN H 1 17 HIS H 0.000 . 2.900 2.497 2.312 2.706 . 0 0 "[ . 1 . 2]" 1
289 1 16 GLN H 1 17 HIS QB 0.000 . 7.000 4.212 3.868 4.447 . 0 0 "[ . 1 . 2]" 1
290 1 16 GLN H 1 18 LEU H 0.000 . 5.000 3.968 3.697 4.210 . 0 0 "[ . 1 . 2]" 1
291 1 16 GLN H 1 19 ARG H 0.000 . 6.000 5.163 4.888 5.533 . 0 0 "[ . 1 . 2]" 1
292 1 16 GLN HA 1 17 HIS H 0.000 . 3.500 3.480 3.273 3.542 0.042 1 0 "[ . 1 . 2]" 1
293 1 16 GLN HA 1 19 ARG H 0.000 . 5.000 4.185 3.765 4.467 . 0 0 "[ . 1 . 2]" 1
294 1 16 GLN HA 1 19 ARG QD 0.000 . 4.500 3.476 2.447 4.084 . 0 0 "[ . 1 . 2]" 1
295 1 16 GLN QB 1 17 HIS H 0.000 . 4.500 2.822 2.533 3.340 . 0 0 "[ . 1 . 2]" 1
296 1 16 GLN QG 1 17 HIS H 0.000 . 6.000 4.396 3.650 4.700 . 0 0 "[ . 1 . 2]" 1
297 1 16 GLN QG 1 17 HIS HA 0.000 . 7.000 5.249 3.570 5.822 . 0 0 "[ . 1 . 2]" 1
298 1 16 GLN QG 1 18 LEU H 0.000 . 7.000 5.927 5.461 6.249 . 0 0 "[ . 1 . 2]" 1
299 1 16 GLN QG 1 19 ARG H 0.000 . 7.000 5.780 5.248 6.200 . 0 0 "[ . 1 . 2]" 1
300 1 17 HIS H 1 17 HIS HA 0.000 . 2.900 2.948 2.906 2.983 0.083 18 0 "[ . 1 . 2]" 1
301 1 17 HIS H 1 17 HIS QB 0.000 . 3.500 2.150 2.066 2.320 . 0 0 "[ . 1 . 2]" 1
302 1 17 HIS H 1 17 HIS HD2 0.000 . 5.000 3.956 3.290 4.446 . 0 0 "[ . 1 . 2]" 1
303 1 17 HIS H 1 18 LEU QB 0.000 . 7.000 4.213 3.861 4.691 . 0 0 "[ . 1 . 2]" 1
304 1 17 HIS HA 1 17 HIS HD2 0.000 . 5.000 4.842 4.566 5.006 0.006 13 0 "[ . 1 . 2]" 1
305 1 17 HIS HA 1 18 LEU H 0.000 . 3.500 3.512 3.433 3.557 0.057 20 0 "[ . 1 . 2]" 1
306 1 17 HIS HA 1 19 ARG H 0.000 . 5.000 3.759 3.260 4.317 . 0 0 "[ . 1 . 2]" 1
307 1 17 HIS QB 1 18 LEU H 0.000 . 4.500 3.016 2.750 3.258 . 0 0 "[ . 1 . 2]" 1
308 1 17 HIS HD2 1 18 LEU HA 0.000 . 5.000 3.827 3.092 4.425 . 0 0 "[ . 1 . 2]" 1
309 1 17 HIS HD2 1 21 LEU MD1 0.000 . 5.000 3.956 3.778 4.101 . 0 0 "[ . 1 . 2]" 1
310 1 18 LEU H 1 18 LEU HA 0.000 . 2.900 2.824 2.748 2.905 0.005 16 0 "[ . 1 . 2]" 1
311 1 18 LEU H 1 18 LEU QB 0.000 . 3.500 2.369 2.214 2.771 . 0 0 "[ . 1 . 2]" 1
312 1 18 LEU H 1 18 LEU MD1 0.000 . 4.400 3.418 1.926 3.678 . 0 0 "[ . 1 . 2]" 1
313 1 18 LEU H 1 18 LEU MD2 0.000 . 4.400 3.570 3.123 3.728 . 0 0 "[ . 1 . 2]" 1
314 1 18 LEU H 1 18 LEU HG 0.000 . 2.900 2.367 1.849 2.605 . 0 0 "[ . 1 . 2]" 1
315 1 18 LEU H 1 19 ARG H 0.000 . 2.900 2.748 2.501 2.944 0.044 14 0 "[ . 1 . 2]" 1
316 1 18 LEU H 1 21 LEU H 0.000 . 6.000 5.720 5.347 5.905 . 0 0 "[ . 1 . 2]" 1
317 1 18 LEU H 1 21 LEU MD1 0.000 . 6.500 4.748 4.016 5.222 . 0 0 "[ . 1 . 2]" 1
318 1 18 LEU HA 1 18 LEU MD2 0.000 . 4.400 2.308 1.946 4.025 . 0 0 "[ . 1 . 2]" 1
319 1 18 LEU HA 1 18 LEU HG 0.000 . 3.500 2.920 2.592 3.782 0.282 16 0 "[ . 1 . 2]" 1
320 1 18 LEU HA 1 19 ARG H 0.000 . 3.500 3.429 3.106 3.543 0.043 14 0 "[ . 1 . 2]" 1
321 1 18 LEU HA 1 21 LEU H 0.000 . 5.000 3.532 3.112 4.047 . 0 0 "[ . 1 . 2]" 1
322 1 18 LEU HA 1 21 LEU MD1 0.000 . 4.400 2.739 2.102 3.292 . 0 0 "[ . 1 . 2]" 1
323 1 18 LEU HA 1 21 LEU MD2 0.000 . 5.000 4.073 3.473 4.224 . 0 0 "[ . 1 . 2]" 1
324 1 18 LEU HA 1 26 ILE QG 0.000 . 7.000 4.033 3.416 5.198 . 0 0 "[ . 1 . 2]" 1
325 1 18 LEU QB 1 19 ARG H 0.000 . 7.000 2.982 2.414 3.900 . 0 0 "[ . 1 . 2]" 1
326 1 18 LEU MD1 1 19 ARG H 0.000 . 6.500 4.408 1.936 5.052 . 0 0 "[ . 1 . 2]" 1
327 1 18 LEU MD1 1 21 LEU H 0.000 . 7.500 5.457 3.288 6.011 . 0 0 "[ . 1 . 2]" 1
328 1 18 LEU MD2 1 19 ARG H 0.000 . 6.500 4.603 4.464 4.800 . 0 0 "[ . 1 . 2]" 1
329 1 18 LEU MD2 1 21 LEU H 0.000 . 5.000 4.003 3.878 4.263 . 0 0 "[ . 1 . 2]" 1
330 1 18 LEU MD2 1 26 ILE HA 0.000 . 5.000 2.729 2.098 3.965 . 0 0 "[ . 1 . 2]" 1
331 1 18 LEU HG 1 19 ARG H 0.000 . 5.000 4.514 3.889 4.695 . 0 0 "[ . 1 . 2]" 1
332 1 18 LEU HG 1 21 LEU H 0.000 . 6.000 6.036 5.714 6.145 0.145 11 0 "[ . 1 . 2]" 1
333 1 19 ARG H 1 19 ARG HA 0.000 . 2.900 2.828 2.752 2.887 . 0 0 "[ . 1 . 2]" 1
334 1 19 ARG H 1 19 ARG QB 0.000 . 3.500 2.324 2.146 2.725 . 0 0 "[ . 1 . 2]" 1
335 1 19 ARG H 1 19 ARG QD 0.000 . 6.000 3.658 1.726 4.450 . 0 0 "[ . 1 . 2]" 1
336 1 19 ARG H 1 19 ARG QG 0.000 . 4.500 2.909 1.674 3.956 . 0 0 "[ . 1 . 2]" 1
337 1 19 ARG H 1 20 GLY H 0.000 . 5.000 3.682 2.692 4.254 . 0 0 "[ . 1 . 2]" 1
338 1 19 ARG HA 1 19 ARG QD 0.000 . 4.500 3.783 2.165 4.254 . 0 0 "[ . 1 . 2]" 1
339 1 19 ARG HA 1 21 LEU H 0.000 . 3.500 3.695 3.644 3.764 0.264 4 0 "[ . 1 . 2]" 1
340 1 20 GLY H 1 21 LEU H 0.000 . 3.500 1.808 1.425 2.198 . 0 0 "[ . 1 . 2]" 1
341 1 20 GLY QA 1 21 LEU H 0.000 . 3.900 2.909 2.879 2.974 . 0 0 "[ . 1 . 2]" 1
342 1 21 LEU H 1 21 LEU HA 0.000 . 2.900 2.969 2.940 2.994 0.094 13 0 "[ . 1 . 2]" 1
343 1 21 LEU H 1 21 LEU QB 0.000 . 3.500 2.401 2.292 2.492 . 0 0 "[ . 1 . 2]" 1
344 1 21 LEU H 1 21 LEU MD1 0.000 . 5.000 3.976 3.760 4.129 . 0 0 "[ . 1 . 2]" 1
345 1 21 LEU H 1 21 LEU MD2 0.000 . 4.400 3.304 2.893 3.654 . 0 0 "[ . 1 . 2]" 1
346 1 21 LEU H 1 22 SER H 0.000 . 5.000 4.558 4.453 4.638 . 0 0 "[ . 1 . 2]" 1
347 1 21 LEU H 1 25 GLU QB 0.000 . 7.000 5.134 4.821 5.393 . 0 0 "[ . 1 . 2]" 1
348 1 21 LEU H 1 26 ILE HA 0.000 . 6.000 6.060 5.970 6.137 0.137 14 0 "[ . 1 . 2]" 1
349 1 21 LEU H 1 26 ILE MD 0.000 . 5.000 3.769 3.043 3.997 . 0 0 "[ . 1 . 2]" 1
350 1 21 LEU HA 1 21 LEU MD2 0.000 . 4.400 1.944 1.920 2.077 . 0 0 "[ . 1 . 2]" 1
351 1 21 LEU HA 1 21 LEU HG 0.000 . 3.500 3.215 2.981 3.442 . 0 0 "[ . 1 . 2]" 1
352 1 21 LEU HA 1 22 SER H 0.000 . 2.900 2.282 2.129 2.545 . 0 0 "[ . 1 . 2]" 1
353 1 21 LEU HA 1 25 GLU QB 0.000 . 6.000 3.233 2.593 3.832 . 0 0 "[ . 1 . 2]" 1
354 1 21 LEU QB 1 22 SER H 0.000 . 3.900 2.737 2.108 3.312 . 0 0 "[ . 1 . 2]" 1
355 1 21 LEU QB 1 22 SER HA 0.000 . 6.000 4.420 4.236 4.724 . 0 0 "[ . 1 . 2]" 1
356 1 21 LEU QB 1 25 GLU H 0.000 . 6.000 4.202 4.010 4.369 . 0 0 "[ . 1 . 2]" 1
357 1 21 LEU QB 1 25 GLU QB 0.000 . 5.500 2.098 1.936 2.202 . 0 0 "[ . 1 . 2]" 1
358 1 21 LEU QB 1 26 ILE H 0.000 . 4.500 3.569 3.246 3.888 . 0 0 "[ . 1 . 2]" 1
359 1 21 LEU MD1 1 25 GLU H 0.000 . 6.500 5.350 5.284 5.434 . 0 0 "[ . 1 . 2]" 1
360 1 21 LEU MD1 1 25 GLU QB 0.000 . 6.000 3.038 2.512 3.477 . 0 0 "[ . 1 . 2]" 1
361 1 21 LEU MD1 1 25 GLU QG 0.000 . 6.000 3.184 2.051 4.272 . 0 0 "[ . 1 . 2]" 1
362 1 21 LEU MD1 1 26 ILE H 0.000 . 6.500 4.447 4.243 4.711 . 0 0 "[ . 1 . 2]" 1
363 1 21 LEU MD1 1 26 ILE HA 0.000 . 5.000 2.862 2.451 3.353 . 0 0 "[ . 1 . 2]" 1
364 1 21 LEU MD2 1 22 SER H 0.000 . 4.400 3.238 2.800 3.515 . 0 0 "[ . 1 . 2]" 1
365 1 21 LEU MD2 1 25 GLU QB 0.000 . 5.400 2.794 2.125 3.563 . 0 0 "[ . 1 . 2]" 1
366 1 22 SER H 1 22 SER HA 0.000 . 2.900 2.907 2.781 2.958 0.058 4 0 "[ . 1 . 2]" 1
367 1 22 SER H 1 22 SER QB 0.000 . 3.500 2.476 2.200 2.878 . 0 0 "[ . 1 . 2]" 1
368 1 22 SER H 1 25 GLU H 0.000 . 5.000 3.596 3.250 3.959 . 0 0 "[ . 1 . 2]" 1
369 1 22 SER H 1 25 GLU QB 0.000 . 3.900 2.043 1.693 2.756 . 0 0 "[ . 1 . 2]" 1
370 1 22 SER H 1 26 ILE H 0.000 . 6.000 4.453 4.095 5.198 . 0 0 "[ . 1 . 2]" 1
371 1 22 SER H 1 26 ILE QG 0.000 . 6.000 4.112 3.231 5.303 . 0 0 "[ . 1 . 2]" 1
372 1 22 SER HA 1 23 LYS H 0.000 . 2.900 2.429 2.280 2.705 . 0 0 "[ . 1 . 2]" 1
373 1 22 SER HA 1 24 GLU H 0.000 . 5.000 4.398 3.996 4.868 . 0 0 "[ . 1 . 2]" 1
374 1 22 SER HA 1 25 GLU H 0.000 . 5.000 4.401 4.149 4.668 . 0 0 "[ . 1 . 2]" 1
375 1 22 SER QB 1 23 LYS H 0.000 . 3.900 2.745 2.000 3.454 . 0 0 "[ . 1 . 2]" 1
376 1 22 SER QB 1 24 GLU H 0.000 . 4.500 2.844 2.316 3.393 . 0 0 "[ . 1 . 2]" 1
377 1 22 SER QB 1 25 GLU H 0.000 . 6.000 2.592 2.208 3.399 . 0 0 "[ . 1 . 2]" 1
378 1 23 LYS H 1 23 LYS HA 0.000 . 2.900 2.814 2.753 2.922 0.022 5 0 "[ . 1 . 2]" 1
379 1 23 LYS H 1 23 LYS QB 0.000 . 3.500 2.445 2.098 2.832 . 0 0 "[ . 1 . 2]" 1
380 1 23 LYS H 1 23 LYS QD 0.000 . 4.500 3.477 1.678 4.100 . 0 0 "[ . 1 . 2]" 1
381 1 23 LYS H 1 23 LYS QG 0.000 . 4.500 2.399 1.696 4.030 . 0 0 "[ . 1 . 2]" 1
382 1 23 LYS H 1 25 GLU H 0.000 . 6.000 4.028 3.689 4.516 . 0 0 "[ . 1 . 2]" 1
383 1 23 LYS H 1 26 ILE MD 0.000 . 6.500 4.001 3.154 5.126 . 0 0 "[ . 1 . 2]" 1
384 1 23 LYS HA 1 26 ILE H 0.000 . 3.500 3.517 3.250 3.575 0.075 11 0 "[ . 1 . 2]" 1
385 1 23 LYS HA 1 26 ILE HB 0.000 . 2.900 2.697 2.348 2.944 0.044 9 0 "[ . 1 . 2]" 1
386 1 23 LYS HA 1 26 ILE MD 0.000 . 4.400 2.569 2.087 3.810 . 0 0 "[ . 1 . 2]" 1
387 1 23 LYS HA 1 27 ILE H 0.000 . 5.000 4.401 3.971 4.838 . 0 0 "[ . 1 . 2]" 1
388 1 23 LYS QB 1 24 GLU H 0.000 . 3.900 2.695 2.100 3.594 . 0 0 "[ . 1 . 2]" 1
389 1 23 LYS QD 1 24 GLU H 0.000 . 6.000 4.299 2.398 4.962 . 0 0 "[ . 1 . 2]" 1
390 1 23 LYS QG 1 24 GLU H 0.000 . 6.000 3.570 1.708 4.475 . 0 0 "[ . 1 . 2]" 1
391 1 24 GLU H 1 24 GLU HA 0.000 . 2.900 2.909 2.837 2.949 0.049 11 0 "[ . 1 . 2]" 1
392 1 24 GLU H 1 24 GLU QB 0.000 . 3.500 2.377 2.108 2.867 . 0 0 "[ . 1 . 2]" 1
393 1 24 GLU H 1 24 GLU QG 0.000 . 4.500 2.907 1.952 4.077 . 0 0 "[ . 1 . 2]" 1
394 1 24 GLU H 1 25 GLU H 0.000 . 2.900 2.466 2.238 2.720 . 0 0 "[ . 1 . 2]" 1
395 1 24 GLU H 1 26 ILE H 0.000 . 5.000 3.841 3.570 4.055 . 0 0 "[ . 1 . 2]" 1
396 1 24 GLU H 1 27 ILE H 0.000 . 6.000 4.919 4.751 5.133 . 0 0 "[ . 1 . 2]" 1
397 1 24 GLU HA 1 24 GLU QG 0.000 . 3.900 2.593 2.197 3.447 . 0 0 "[ . 1 . 2]" 1
398 1 24 GLU HA 1 25 GLU H 0.000 . 3.500 3.479 3.375 3.556 0.056 15 0 "[ . 1 . 2]" 1
399 1 24 GLU HA 1 27 ILE H 0.000 . 3.500 3.476 3.363 3.552 0.052 19 0 "[ . 1 . 2]" 1
400 1 24 GLU HA 1 27 ILE HB 0.000 . 2.900 2.953 2.911 3.013 0.113 1 0 "[ . 1 . 2]" 1
401 1 24 GLU HA 1 27 ILE MD 0.000 . 4.400 2.622 2.155 3.501 . 0 0 "[ . 1 . 2]" 1
402 1 24 GLU HA 1 27 ILE QG 0.000 . 7.000 3.966 3.597 4.397 . 0 0 "[ . 1 . 2]" 1
403 1 24 GLU QB 1 25 GLU H 0.000 . 4.500 2.940 2.321 3.723 . 0 0 "[ . 1 . 2]" 1
404 1 24 GLU QG 1 25 GLU H 0.000 . 7.000 3.735 2.023 4.657 . 0 0 "[ . 1 . 2]" 1
405 1 25 GLU H 1 25 GLU QB 0.000 . 3.500 2.232 2.105 2.304 . 0 0 "[ . 1 . 2]" 1
406 1 25 GLU H 1 26 ILE H 0.000 . 2.900 2.347 2.191 2.624 . 0 0 "[ . 1 . 2]" 1
407 1 25 GLU H 1 26 ILE HA 0.000 . 6.000 5.008 4.907 5.241 . 0 0 "[ . 1 . 2]" 1
408 1 25 GLU QB 1 26 ILE H 0.000 . 4.500 2.991 2.823 3.134 . 0 0 "[ . 1 . 2]" 1
409 1 25 GLU QB 1 29 LEU QD 0.000 . 8.400 4.153 3.134 5.128 . 0 0 "[ . 1 . 2]" 1
410 1 25 GLU QG 1 26 ILE H 0.000 . 7.000 4.386 4.004 4.777 . 0 0 "[ . 1 . 2]" 1
411 1 25 GLU QG 1 29 LEU QD 0.000 . 8.400 3.743 2.296 5.544 . 0 0 "[ . 1 . 2]" 1
412 1 26 ILE H 1 26 ILE HA 0.000 . 2.900 2.920 2.880 2.944 0.044 4 0 "[ . 1 . 2]" 1
413 1 26 ILE H 1 26 ILE HB 0.000 . 2.900 2.244 2.095 2.504 . 0 0 "[ . 1 . 2]" 1
414 1 26 ILE H 1 26 ILE MD 0.000 . 4.400 3.472 2.445 3.859 . 0 0 "[ . 1 . 2]" 1
415 1 26 ILE H 1 26 ILE QG 0.000 . 4.500 2.752 2.133 3.613 . 0 0 "[ . 1 . 2]" 1
416 1 26 ILE H 1 26 ILE MG 0.000 . 4.400 3.661 3.470 3.762 . 0 0 "[ . 1 . 2]" 1
417 1 26 ILE H 1 27 ILE H 0.000 . 2.900 2.364 2.295 2.494 . 0 0 "[ . 1 . 2]" 1
418 1 26 ILE H 1 27 ILE HA 0.000 . 5.000 5.048 4.975 5.147 0.147 14 0 "[ . 1 . 2]" 1
419 1 26 ILE HA 1 26 ILE MD 0.000 . 4.400 3.623 2.606 3.828 . 0 0 "[ . 1 . 2]" 1
420 1 26 ILE HA 1 26 ILE QG 0.000 . 3.900 2.307 2.118 2.556 . 0 0 "[ . 1 . 2]" 1
421 1 26 ILE HA 1 27 ILE H 0.000 . 3.500 3.502 3.437 3.531 0.031 8 0 "[ . 1 . 2]" 1
422 1 26 ILE HA 1 28 GLN H 0.000 . 5.000 4.723 4.136 5.024 0.024 5 0 "[ . 1 . 2]" 1
423 1 26 ILE HA 1 29 LEU H 0.000 . 3.500 3.585 3.511 3.651 0.151 18 0 "[ . 1 . 2]" 1
424 1 26 ILE HA 1 29 LEU QB 0.000 . 4.500 2.815 2.380 3.244 . 0 0 "[ . 1 . 2]" 1
425 1 26 ILE HA 1 29 LEU QD 0.000 . 5.900 3.489 3.040 3.966 . 0 0 "[ . 1 . 2]" 1
426 1 26 ILE HA 1 30 LYS H 0.000 . 5.000 4.202 3.268 4.614 . 0 0 "[ . 1 . 2]" 1
427 1 26 ILE HA 1 30 LYS QG 0.000 . 6.000 4.111 3.518 5.167 . 0 0 "[ . 1 . 2]" 1
428 1 26 ILE MG 1 27 ILE QG 0.000 . 5.400 3.407 2.882 3.788 . 0 0 "[ . 1 . 2]" 1
429 1 26 ILE MG 1 30 LYS QE 0.000 . 5.400 3.064 2.018 3.923 . 0 0 "[ . 1 . 2]" 1
430 1 26 ILE MG 1 30 LYS QG 0.000 . 5.400 2.430 1.947 3.371 . 0 0 "[ . 1 . 2]" 1
431 1 27 ILE H 1 27 ILE HA 0.000 . 2.900 2.850 2.814 2.883 . 0 0 "[ . 1 . 2]" 1
432 1 27 ILE H 1 27 ILE HB 0.000 . 2.900 2.225 2.107 2.371 . 0 0 "[ . 1 . 2]" 1
433 1 27 ILE H 1 27 ILE MD 0.000 . 4.400 3.005 1.819 3.614 . 0 0 "[ . 1 . 2]" 1
434 1 27 ILE H 1 27 ILE QG 0.000 . 3.900 2.738 2.228 3.573 . 0 0 "[ . 1 . 2]" 1
435 1 27 ILE H 1 27 ILE MG 0.000 . 4.400 3.672 3.577 3.733 . 0 0 "[ . 1 . 2]" 1
436 1 27 ILE H 1 28 GLN H 0.000 . 2.900 2.746 2.493 2.895 . 0 0 "[ . 1 . 2]" 1
437 1 27 ILE H 1 28 GLN QB 0.000 . 6.000 4.654 4.097 4.967 . 0 0 "[ . 1 . 2]" 1
438 1 27 ILE H 1 28 GLN QG 0.000 . 7.000 4.281 3.576 6.037 . 0 0 "[ . 1 . 2]" 1
439 1 27 ILE H 1 30 LYS H 0.000 . 6.000 4.639 4.420 4.840 . 0 0 "[ . 1 . 2]" 1
440 1 27 ILE HA 1 27 ILE HB 0.000 . 2.900 3.018 2.997 3.035 0.135 15 0 "[ . 1 . 2]" 1
441 1 27 ILE HA 1 27 ILE MD 0.000 . 4.400 3.510 2.320 3.824 . 0 0 "[ . 1 . 2]" 1
442 1 27 ILE HA 1 27 ILE QG 0.000 . 3.900 2.300 2.247 2.391 . 0 0 "[ . 1 . 2]" 1
443 1 27 ILE HA 1 28 GLN H 0.000 . 3.500 3.532 3.488 3.552 0.052 11 0 "[ . 1 . 2]" 1
444 1 27 ILE HA 1 28 GLN HA 0.000 . 5.000 4.814 4.733 4.886 . 0 0 "[ . 1 . 2]" 1
445 1 27 ILE HA 1 29 LEU H 0.000 . 5.000 4.168 3.786 4.574 . 0 0 "[ . 1 . 2]" 1
446 1 27 ILE HA 1 30 LYS H 0.000 . 3.500 3.306 3.024 3.577 0.077 2 0 "[ . 1 . 2]" 1
447 1 27 ILE HA 1 30 LYS HA 0.000 . 6.000 5.292 5.006 5.611 . 0 0 "[ . 1 . 2]" 1
448 1 27 ILE HA 1 30 LYS QB 0.000 . 6.000 2.543 2.145 3.734 . 0 0 "[ . 1 . 2]" 1
449 1 27 ILE HA 1 30 LYS QD 0.000 . 7.000 4.552 2.541 5.417 . 0 0 "[ . 1 . 2]" 1
450 1 27 ILE HA 1 30 LYS QG 0.000 . 7.000 3.157 1.962 4.764 . 0 0 "[ . 1 . 2]" 1
451 1 27 ILE HA 1 31 GLN H 0.000 . 5.000 4.726 4.130 5.033 0.033 16 0 "[ . 1 . 2]" 1
452 1 27 ILE HB 1 28 GLN H 0.000 . 2.900 2.416 2.211 2.927 0.027 6 0 "[ . 1 . 2]" 1
453 1 27 ILE HB 1 28 GLN QB 0.000 . 6.000 4.542 3.909 5.169 . 0 0 "[ . 1 . 2]" 1
454 1 27 ILE HB 1 28 GLN QG 0.000 . 6.000 3.594 2.914 4.986 . 0 0 "[ . 1 . 2]" 1
455 1 27 ILE MD 1 28 GLN H 0.000 . 5.000 4.059 3.977 4.139 . 0 0 "[ . 1 . 2]" 1
456 1 27 ILE QG 1 28 GLN H 0.000 . 6.000 4.174 4.010 4.581 . 0 0 "[ . 1 . 2]" 1
457 1 27 ILE MG 1 28 GLN H 0.000 . 4.400 2.693 2.323 3.163 . 0 0 "[ . 1 . 2]" 1
458 1 27 ILE MG 1 28 GLN HA 0.000 . 4.400 2.921 2.759 3.155 . 0 0 "[ . 1 . 2]" 1
459 1 27 ILE MG 1 31 GLN H 0.000 . 6.500 4.501 4.021 4.922 . 0 0 "[ . 1 . 2]" 1
460 1 27 ILE MG 1 31 GLN QB 0.000 . 6.000 3.758 3.238 4.189 . 0 0 "[ . 1 . 2]" 1
461 1 27 ILE MG 1 31 GLN QE 0.000 . 7.500 4.138 2.972 5.523 . 0 0 "[ . 1 . 2]" 1
462 1 28 GLN H 1 28 GLN HA 0.000 . 2.900 2.810 2.750 2.870 . 0 0 "[ . 1 . 2]" 1
463 1 28 GLN H 1 28 GLN QB 0.000 . 3.500 2.443 2.021 2.662 . 0 0 "[ . 1 . 2]" 1
464 1 28 GLN H 1 28 GLN QG 0.000 . 3.900 2.169 1.698 3.568 . 0 0 "[ . 1 . 2]" 1
465 1 28 GLN H 1 29 LEU H 0.000 . 2.900 2.790 2.580 2.917 0.017 12 0 "[ . 1 . 2]" 1
466 1 28 GLN H 1 29 LEU QB 0.000 . 6.000 4.591 4.319 5.020 . 0 0 "[ . 1 . 2]" 1
467 1 28 GLN H 1 30 LYS H 0.000 . 5.000 4.176 3.859 4.474 . 0 0 "[ . 1 . 2]" 1
468 1 28 GLN HA 1 28 GLN QG 0.000 . 3.900 2.645 2.171 3.429 . 0 0 "[ . 1 . 2]" 1
469 1 28 GLN HA 1 30 LYS H 0.000 . 6.000 4.407 3.966 5.108 . 0 0 "[ . 1 . 2]" 1
470 1 28 GLN HA 1 31 GLN QB 0.000 . 3.900 3.112 2.501 3.547 . 0 0 "[ . 1 . 2]" 1
471 1 28 GLN QB 1 29 LEU H 0.000 . 3.900 2.750 2.336 3.501 . 0 0 "[ . 1 . 2]" 1
472 1 28 GLN QB 1 30 LYS H 0.000 . 6.000 4.713 4.225 5.308 . 0 0 "[ . 1 . 2]" 1
473 1 28 GLN QG 1 29 LEU H 0.000 . 4.500 3.684 1.913 4.183 . 0 0 "[ . 1 . 2]" 1
474 1 29 LEU H 1 29 LEU HA 0.000 . 2.900 2.915 2.857 2.966 0.066 2 0 "[ . 1 . 2]" 1
475 1 29 LEU H 1 29 LEU QB 0.000 . 3.500 2.185 2.055 2.458 . 0 0 "[ . 1 . 2]" 1
476 1 29 LEU H 1 29 LEU QD 0.000 . 4.600 2.889 1.932 3.626 . 0 0 "[ . 1 . 2]" 1
477 1 29 LEU H 1 30 LYS H 0.000 . 2.900 2.461 2.240 2.684 . 0 0 "[ . 1 . 2]" 1
478 1 29 LEU H 1 30 LYS HA 0.000 . 6.000 5.134 4.951 5.328 . 0 0 "[ . 1 . 2]" 1
479 1 29 LEU HA 1 30 LYS H 0.000 . 3.500 3.502 3.417 3.570 0.070 2 0 "[ . 1 . 2]" 1
480 1 29 LEU QB 1 30 LYS H 0.000 . 3.900 2.731 2.280 3.052 . 0 0 "[ . 1 . 2]" 1
481 1 29 LEU QB 1 30 LYS HA 0.000 . 6.000 3.858 3.698 4.119 . 0 0 "[ . 1 . 2]" 1
482 1 29 LEU QB 1 31 GLN H 0.000 . 7.000 4.371 4.080 4.817 . 0 0 "[ . 1 . 2]" 1
483 1 29 LEU QD 1 30 LYS H 0.000 . 5.900 3.922 2.392 4.288 . 0 0 "[ . 1 . 2]" 1
484 1 30 LYS H 1 30 LYS HA 0.000 . 2.900 2.875 2.790 2.933 0.033 19 0 "[ . 1 . 2]" 1
485 1 30 LYS H 1 30 LYS QB 0.000 . 3.500 2.272 2.025 2.417 . 0 0 "[ . 1 . 2]" 1
486 1 30 LYS H 1 30 LYS QD 0.000 . 4.500 4.000 3.798 4.181 . 0 0 "[ . 1 . 2]" 1
487 1 30 LYS H 1 30 LYS QE 0.000 . 7.000 4.973 4.387 5.632 . 0 0 "[ . 1 . 2]" 1
488 1 30 LYS H 1 30 LYS QG 0.000 . 3.900 2.577 2.264 3.478 . 0 0 "[ . 1 . 2]" 1
489 1 30 LYS H 1 31 GLN H 0.000 . 2.900 2.614 2.343 2.825 . 0 0 "[ . 1 . 2]" 1
490 1 30 LYS H 1 31 GLN QG 0.000 . 7.000 5.989 4.030 6.319 . 0 0 "[ . 1 . 2]" 1
491 1 30 LYS HA 1 30 LYS QD 0.000 . 3.900 2.614 2.021 3.819 . 0 0 "[ . 1 . 2]" 1
492 1 30 LYS HA 1 30 LYS QG 0.000 . 3.900 2.507 2.068 3.419 . 0 0 "[ . 1 . 2]" 1
493 1 30 LYS HA 1 31 GLN H 0.000 . 3.500 3.361 3.219 3.522 0.022 5 0 "[ . 1 . 2]" 1
494 1 30 LYS HA 1 31 GLN HA 0.000 . 5.000 4.669 4.591 4.772 . 0 0 "[ . 1 . 2]" 1
495 1 30 LYS HA 1 33 ARG H 0.000 . 5.000 4.236 3.779 4.821 . 0 0 "[ . 1 . 2]" 1
496 1 30 LYS HA 1 33 ARG QB 0.000 . 4.500 2.922 2.331 3.476 . 0 0 "[ . 1 . 2]" 1
497 1 30 LYS HA 1 34 ARG H 0.000 . 5.000 4.468 3.964 5.025 0.025 4 0 "[ . 1 . 2]" 1
498 1 31 GLN H 1 31 GLN HA 0.000 . 2.900 2.934 2.880 2.976 0.076 19 0 "[ . 1 . 2]" 1
499 1 31 GLN H 1 31 GLN QB 0.000 . 3.500 2.282 2.103 2.374 . 0 0 "[ . 1 . 2]" 1
500 1 31 GLN H 1 31 GLN QG 0.000 . 4.500 3.872 2.574 4.127 . 0 0 "[ . 1 . 2]" 1
501 1 31 GLN HA 1 31 GLN QG 0.000 . 3.900 2.358 2.126 2.857 . 0 0 "[ . 1 . 2]" 1
502 1 31 GLN HA 1 34 ARG H 0.000 . 3.500 3.548 3.396 3.640 0.140 12 0 "[ . 1 . 2]" 1
503 1 31 GLN QB 1 32 ARG H 0.000 . 4.500 1.948 1.636 2.594 . 0 0 "[ . 1 . 2]" 1
504 1 31 GLN QB 1 34 ARG H 0.000 . 7.000 4.773 4.617 4.911 . 0 0 "[ . 1 . 2]" 1
505 1 31 GLN QB 1 35 THR H 0.000 . 7.000 5.225 4.649 5.506 . 0 0 "[ . 1 . 2]" 1
506 1 31 GLN QG 1 34 ARG H 0.000 . 7.000 4.818 4.573 5.612 . 0 0 "[ . 1 . 2]" 1
507 1 31 GLN QG 1 35 THR H 0.000 . 7.000 4.704 3.713 6.284 . 0 0 "[ . 1 . 2]" 1
508 1 32 ARG H 1 32 ARG HA 0.000 . 2.900 2.788 2.749 2.865 . 0 0 "[ . 1 . 2]" 1
509 1 32 ARG H 1 32 ARG QB 0.000 . 3.500 2.400 2.067 2.663 . 0 0 "[ . 1 . 2]" 1
510 1 32 ARG H 1 32 ARG QD 0.000 . 6.000 3.546 1.706 4.471 . 0 0 "[ . 1 . 2]" 1
511 1 32 ARG H 1 35 THR MG 0.000 . 7.500 6.012 5.685 6.255 . 0 0 "[ . 1 . 2]" 1
512 1 32 ARG HA 1 32 ARG QD 0.000 . 4.500 3.108 2.022 4.160 . 0 0 "[ . 1 . 2]" 1
513 1 32 ARG HA 1 32 ARG QG 0.000 . 3.900 2.572 2.150 3.372 . 0 0 "[ . 1 . 2]" 1
514 1 32 ARG HA 1 33 ARG H 0.000 . 5.000 3.555 3.518 3.576 . 0 0 "[ . 1 . 2]" 1
515 1 32 ARG HA 1 35 THR H 0.000 . 2.900 3.001 2.961 3.045 0.145 18 0 "[ . 1 . 2]" 1
516 1 32 ARG HA 1 35 THR HB 0.000 . 2.900 2.709 2.184 2.915 0.015 17 0 "[ . 1 . 2]" 1
517 1 32 ARG QG 1 33 ARG H 0.000 . 4.500 3.598 1.680 4.246 . 0 0 "[ . 1 . 2]" 1
518 1 33 ARG H 1 33 ARG HA 0.000 . 2.900 2.789 2.751 2.838 . 0 0 "[ . 1 . 2]" 1
519 1 33 ARG H 1 33 ARG QB 0.000 . 3.500 2.253 2.182 2.277 . 0 0 "[ . 1 . 2]" 1
520 1 33 ARG H 1 33 ARG QD 0.000 . 6.000 4.370 3.723 4.688 . 0 0 "[ . 1 . 2]" 1
521 1 33 ARG H 1 33 ARG QG 0.000 . 4.500 3.990 3.945 4.065 . 0 0 "[ . 1 . 2]" 1
522 1 33 ARG H 1 34 ARG H 0.000 . 2.900 2.790 2.642 2.878 . 0 0 "[ . 1 . 2]" 1
523 1 33 ARG H 1 36 LEU H 0.000 . 5.000 4.908 4.673 5.002 0.002 18 0 "[ . 1 . 2]" 1
524 1 33 ARG HA 1 33 ARG QD 0.000 . 4.500 3.815 3.288 4.170 . 0 0 "[ . 1 . 2]" 1
525 1 33 ARG HA 1 33 ARG QG 0.000 . 3.900 2.438 2.269 2.713 . 0 0 "[ . 1 . 2]" 1
526 1 33 ARG HA 1 34 ARG H 0.000 . 3.500 3.516 3.484 3.542 0.042 6 0 "[ . 1 . 2]" 1
527 1 33 ARG HA 1 35 THR H 0.000 . 5.000 4.245 3.964 4.426 . 0 0 "[ . 1 . 2]" 1
528 1 33 ARG HA 1 36 LEU H 0.000 . 3.500 3.588 3.514 3.662 0.162 13 0 "[ . 1 . 2]" 1
529 1 33 ARG HA 1 36 LEU QB 0.000 . 3.900 3.035 2.696 3.137 . 0 0 "[ . 1 . 2]" 1
530 1 33 ARG HA 1 36 LEU MD1 0.000 . 4.400 2.650 2.191 3.221 . 0 0 "[ . 1 . 2]" 1
531 1 33 ARG HA 1 36 LEU MD2 0.000 . 7.500 5.023 4.823 5.417 . 0 0 "[ . 1 . 2]" 1
532 1 33 ARG HA 1 37 LYS H 0.000 . 5.000 4.477 4.158 4.932 . 0 0 "[ . 1 . 2]" 1
533 1 33 ARG HA 1 37 LYS QG 0.000 . 6.000 4.533 4.064 5.076 . 0 0 "[ . 1 . 2]" 1
534 1 33 ARG QB 1 34 ARG H 0.000 . 4.500 2.614 2.423 2.856 . 0 0 "[ . 1 . 2]" 1
535 1 33 ARG QD 1 34 ARG H 0.000 . 7.000 3.745 2.507 5.217 . 0 0 "[ . 1 . 2]" 1
536 1 33 ARG QG 1 34 ARG H 0.000 . 4.500 3.811 3.116 4.101 . 0 0 "[ . 1 . 2]" 1
537 1 34 ARG H 1 34 ARG HA 0.000 . 2.900 2.903 2.866 2.921 0.021 1 0 "[ . 1 . 2]" 1
538 1 34 ARG H 1 34 ARG QB 0.000 . 3.500 2.226 2.084 2.300 . 0 0 "[ . 1 . 2]" 1
539 1 34 ARG H 1 35 THR H 0.000 . 2.900 2.470 2.401 2.601 . 0 0 "[ . 1 . 2]" 1
540 1 34 ARG H 1 35 THR HB 0.000 . 6.000 4.876 4.372 5.175 . 0 0 "[ . 1 . 2]" 1
541 1 34 ARG H 1 36 LEU H 0.000 . 5.000 4.133 4.035 4.283 . 0 0 "[ . 1 . 2]" 1
542 1 34 ARG QB 1 35 THR H 0.000 . 3.900 2.776 2.588 3.246 . 0 0 "[ . 1 . 2]" 1
543 1 34 ARG QB 1 35 THR HB 0.000 . 7.000 5.058 4.523 5.761 . 0 0 "[ . 1 . 2]" 1
544 1 34 ARG QD 1 35 THR H 0.000 . 7.000 4.705 3.470 5.404 . 0 0 "[ . 1 . 2]" 1
545 1 35 THR H 1 35 THR HA 0.000 . 2.900 2.879 2.838 2.926 0.026 4 0 "[ . 1 . 2]" 1
546 1 35 THR H 1 35 THR HB 0.000 . 2.900 2.645 2.277 2.926 0.026 9 0 "[ . 1 . 2]" 1
547 1 35 THR H 1 35 THR MG 0.000 . 4.400 3.719 3.580 3.772 . 0 0 "[ . 1 . 2]" 1
548 1 35 THR H 1 36 LEU MD1 0.000 . 7.500 5.133 4.699 5.553 . 0 0 "[ . 1 . 2]" 1
549 1 35 THR H 1 36 LEU MD2 0.000 . 7.500 5.687 5.355 6.039 . 0 0 "[ . 1 . 2]" 1
550 1 35 THR H 1 38 ASN QB 0.000 . 7.000 5.055 4.714 5.484 . 0 0 "[ . 1 . 2]" 1
551 1 35 THR HA 1 35 THR HB 0.000 . 2.900 3.048 3.017 3.063 0.163 14 0 "[ . 1 . 2]" 1
552 1 35 THR HA 1 38 ASN H 0.000 . 3.500 3.576 3.496 3.634 0.134 17 0 "[ . 1 . 2]" 1
553 1 35 THR HA 1 38 ASN QB 0.000 . 3.900 2.868 2.681 3.195 . 0 0 "[ . 1 . 2]" 1
554 1 35 THR HB 1 36 LEU H 0.000 . 2.900 2.649 2.456 2.790 . 0 0 "[ . 1 . 2]" 1
555 1 35 THR HB 1 36 LEU HA 0.000 . 5.000 4.148 3.921 4.543 . 0 0 "[ . 1 . 2]" 1
556 1 35 THR HB 1 36 LEU MD2 0.000 . 6.500 4.381 3.842 5.208 . 0 0 "[ . 1 . 2]" 1
557 1 35 THR HB 1 37 LYS H 0.000 . 6.000 5.148 4.798 5.450 . 0 0 "[ . 1 . 2]" 1
558 1 35 THR HB 1 38 ASN QB 0.000 . 6.000 5.196 4.944 5.359 . 0 0 "[ . 1 . 2]" 1
559 1 35 THR MG 1 38 ASN H 0.000 . 6.500 4.469 4.026 4.756 . 0 0 "[ . 1 . 2]" 1
560 1 35 THR MG 1 39 ARG QD 0.000 . 7.500 3.682 2.130 5.056 . 0 0 "[ . 1 . 2]" 1
561 1 36 LEU H 1 36 LEU HA 0.000 . 2.900 2.853 2.803 2.890 . 0 0 "[ . 1 . 2]" 1
562 1 36 LEU H 1 36 LEU QB 0.000 . 3.500 2.265 2.186 2.367 . 0 0 "[ . 1 . 2]" 1
563 1 36 LEU H 1 36 LEU MD1 0.000 . 4.400 3.482 3.190 3.684 . 0 0 "[ . 1 . 2]" 1
564 1 36 LEU H 1 36 LEU MD2 0.000 . 4.400 3.684 3.368 3.850 . 0 0 "[ . 1 . 2]" 1
565 1 36 LEU H 1 36 LEU HG 0.000 . 2.900 2.474 2.335 2.572 . 0 0 "[ . 1 . 2]" 1
566 1 36 LEU H 1 37 LYS QG 0.000 . 7.000 4.429 4.081 4.959 . 0 0 "[ . 1 . 2]" 1
567 1 36 LEU H 1 39 ARG H 0.000 . 6.000 4.876 4.352 5.371 . 0 0 "[ . 1 . 2]" 1
568 1 36 LEU HA 1 36 LEU MD1 0.000 . 4.400 3.780 3.744 3.820 . 0 0 "[ . 1 . 2]" 1
569 1 36 LEU HA 1 36 LEU MD2 0.000 . 4.400 2.077 1.976 2.140 . 0 0 "[ . 1 . 2]" 1
570 1 36 LEU HA 1 39 ARG QD 0.000 . 6.000 3.709 2.313 4.940 . 0 0 "[ . 1 . 2]" 1
571 1 36 LEU HA 1 41 TYR QB 0.000 . 7.000 3.485 2.948 4.062 . 0 0 "[ . 1 . 2]" 1
572 1 36 LEU HA 1 41 TYR QD 0.000 . 7.000 4.902 3.832 5.739 . 0 0 "[ . 1 . 2]" 1
573 1 36 LEU QB 1 37 LYS H 0.000 . 4.500 2.384 2.099 2.933 . 0 0 "[ . 1 . 2]" 1
574 1 36 LEU QB 1 41 TYR QB 0.000 . 5.500 3.050 2.583 3.416 . 0 0 "[ . 1 . 2]" 1
575 1 36 LEU QB 1 41 TYR QD 0.000 . 8.000 3.180 2.298 4.189 . 0 0 "[ . 1 . 2]" 1
576 1 36 LEU MD1 1 37 LYS H 0.000 . 6.500 4.316 3.954 4.741 . 0 0 "[ . 1 . 2]" 1
577 1 36 LEU MD1 1 41 TYR QD 0.000 . 8.500 3.931 3.358 4.712 . 0 0 "[ . 1 . 2]" 1
578 1 36 LEU MD1 1 41 TYR QE 0.000 . 8.500 4.710 3.640 6.084 . 0 0 "[ . 1 . 2]" 1
579 1 36 LEU MD2 1 37 LYS H 0.000 . 6.500 4.539 4.406 4.801 . 0 0 "[ . 1 . 2]" 1
580 1 36 LEU MD2 1 39 ARG H 0.000 . 7.500 4.766 4.163 5.319 . 0 0 "[ . 1 . 2]" 1
581 1 36 LEU MD2 1 39 ARG QD 0.000 . 6.000 3.273 2.036 4.189 . 0 0 "[ . 1 . 2]" 1
582 1 36 LEU MD2 1 41 TYR H 0.000 . 7.500 4.283 2.889 5.164 . 0 0 "[ . 1 . 2]" 1
583 1 36 LEU MD2 1 41 TYR QB 0.000 . 6.000 2.557 2.057 3.039 . 0 0 "[ . 1 . 2]" 1
584 1 36 LEU MD2 1 41 TYR QD 0.000 . 7.000 3.239 2.506 3.976 . 0 0 "[ . 1 . 2]" 1
585 1 36 LEU MD2 1 41 TYR QE 0.000 . 8.500 4.664 3.812 5.578 . 0 0 "[ . 1 . 2]" 1
586 1 37 LYS H 1 37 LYS HA 0.000 . 2.900 2.822 2.754 2.945 0.045 15 0 "[ . 1 . 2]" 1
587 1 37 LYS H 1 37 LYS QB 0.000 . 3.500 2.389 2.099 2.631 . 0 0 "[ . 1 . 2]" 1
588 1 37 LYS H 1 37 LYS QG 0.000 . 3.900 2.243 1.682 3.005 . 0 0 "[ . 1 . 2]" 1
589 1 37 LYS H 1 38 ASN H 0.000 . 2.900 2.715 2.444 2.874 . 0 0 "[ . 1 . 2]" 1
590 1 37 LYS H 1 38 ASN QB 0.000 . 6.000 4.446 4.009 4.732 . 0 0 "[ . 1 . 2]" 1
591 1 37 LYS H 1 39 ARG H 0.000 . 6.000 4.595 4.006 5.043 . 0 0 "[ . 1 . 2]" 1
592 1 37 LYS HA 1 37 LYS QG 0.000 . 3.900 2.405 2.202 2.630 . 0 0 "[ . 1 . 2]" 1
593 1 37 LYS HA 1 38 ASN H 0.000 . 3.500 3.408 3.240 3.470 . 0 0 "[ . 1 . 2]" 1
594 1 37 LYS QB 1 38 ASN H 0.000 . 3.900 3.062 2.892 3.420 . 0 0 "[ . 1 . 2]" 1
595 1 37 LYS QG 1 38 ASN H 0.000 . 6.000 4.262 4.001 4.578 . 0 0 "[ . 1 . 2]" 1
596 1 38 ASN H 1 38 ASN HA 0.000 . 2.900 2.961 2.945 2.989 0.089 15 0 "[ . 1 . 2]" 1
597 1 38 ASN H 1 38 ASN QB 0.000 . 3.500 2.339 2.231 2.641 . 0 0 "[ . 1 . 2]" 1
598 1 38 ASN H 1 39 ARG H 0.000 . 3.500 2.372 1.900 2.708 . 0 0 "[ . 1 . 2]" 1
599 1 38 ASN HA 1 39 ARG H 0.000 . 3.500 3.521 3.077 3.566 0.066 6 0 "[ . 1 . 2]" 1
600 1 38 ASN QB 1 39 ARG H 0.000 . 3.900 2.369 1.899 3.610 . 0 0 "[ . 1 . 2]" 1
601 1 38 ASN QB 1 39 ARG HA 0.000 . 6.000 3.949 3.733 4.411 . 0 0 "[ . 1 . 2]" 1
602 1 38 ASN QB 1 39 ARG QB 0.000 . 7.000 3.865 3.532 4.168 . 0 0 "[ . 1 . 2]" 1
603 1 39 ARG H 1 39 ARG HA 0.000 . 2.900 2.835 2.789 2.976 0.076 13 0 "[ . 1 . 2]" 1
604 1 39 ARG H 1 39 ARG QD 0.000 . 6.000 4.205 3.432 4.785 . 0 0 "[ . 1 . 2]" 1
605 1 39 ARG H 1 40 GLY H 0.000 . 5.000 4.522 3.512 4.665 . 0 0 "[ . 1 . 2]" 1
606 1 39 ARG HA 1 40 GLY H 0.000 . 3.500 2.634 2.443 3.352 . 0 0 "[ . 1 . 2]" 1
607 1 39 ARG QB 1 40 GLY H 0.000 . 6.000 2.401 1.671 3.090 . 0 0 "[ . 1 . 2]" 1
608 1 39 ARG QB 1 41 TYR H 0.000 . 6.000 2.808 2.297 3.940 . 0 0 "[ . 1 . 2]" 1
609 1 40 GLY QA 1 41 TYR H 0.000 . 4.500 2.705 2.366 2.856 . 0 0 "[ . 1 . 2]" 1
610 1 41 TYR H 1 41 TYR HA 0.000 . 2.900 2.893 2.870 2.938 0.038 15 0 "[ . 1 . 2]" 1
611 1 41 TYR H 1 41 TYR QB 0.000 . 3.500 2.161 2.080 2.280 . 0 0 "[ . 1 . 2]" 1
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