NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
545306 |
2lcl   |
17615 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lcl
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 946
_Distance_constraint_stats_list.Viol_count 542
_Distance_constraint_stats_list.Viol_total 577.224
_Distance_constraint_stats_list.Viol_max 0.519
_Distance_constraint_stats_list.Viol_rms 0.0171
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0532
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.165 0.034 2 0 "[ . 1 . 2]"
1 7 ASP 0.010 0.010 4 0 "[ . 1 . 2]"
1 8 ILE 0.010 0.010 4 0 "[ . 1 . 2]"
1 9 VAL 0.405 0.031 11 0 "[ . 1 . 2]"
1 10 ASP 0.204 0.031 5 0 "[ . 1 . 2]"
1 11 PRO 0.006 0.006 18 0 "[ . 1 . 2]"
1 12 ALA 0.218 0.199 8 0 "[ . 1 . 2]"
1 13 THR 0.006 0.005 1 0 "[ . 1 . 2]"
1 14 PRO 0.070 0.022 10 0 "[ . 1 . 2]"
1 15 TYR 3.067 0.176 17 0 "[ . 1 . 2]"
1 16 PRO 4.302 0.176 17 0 "[ . 1 . 2]"
1 17 GLY 0.150 0.046 13 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.015 0.006 19 0 "[ . 1 . 2]"
1 20 VAL 0.123 0.011 15 0 "[ . 1 . 2]"
1 21 ILE 4.414 0.402 15 0 "[ . 1 . 2]"
1 22 ILE 2.359 0.335 9 0 "[ . 1 . 2]"
1 23 THR 0.029 0.008 16 0 "[ . 1 . 2]"
1 24 GLU 0.857 0.305 8 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.547 0.030 3 0 "[ . 1 . 2]"
1 29 GLY 0.021 0.006 4 0 "[ . 1 . 2]"
1 30 PHE 0.215 0.025 4 0 "[ . 1 . 2]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 2.329 0.289 5 0 "[ . 1 . 2]"
1 33 ILE 1.740 0.175 3 0 "[ . 1 . 2]"
1 34 PHE 0.127 0.017 13 0 "[ . 1 . 2]"
1 35 THR 0.014 0.009 3 0 "[ . 1 . 2]"
1 36 GLU 0.477 0.333 13 0 "[ . 1 . 2]"
1 37 PRO 0.095 0.017 13 0 "[ . 1 . 2]"
1 38 ASP 0.051 0.028 13 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 4.240 0.519 10 1 "[ . + . 2]"
1 41 ALA 3.874 0.519 10 1 "[ . + . 2]"
1 42 ARG 0.768 0.124 9 0 "[ . 1 . 2]"
1 43 SER 0.116 0.028 13 0 "[ . 1 . 2]"
1 44 MET 0.393 0.030 7 0 "[ . 1 . 2]"
1 45 LEU 2.851 0.289 5 0 "[ . 1 . 2]"
1 46 LEU 0.052 0.011 17 0 "[ . 1 . 2]"
1 47 LEU 0.026 0.008 9 0 "[ . 1 . 2]"
1 48 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LEU 0.167 0.035 20 0 "[ . 1 . 2]"
1 50 ILE 0.644 0.035 7 0 "[ . 1 . 2]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LYS 0.531 0.068 16 0 "[ . 1 . 2]"
1 53 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ILE 0.071 0.021 13 0 "[ . 1 . 2]"
1 55 LYS 3.120 0.302 2 0 "[ . 1 . 2]"
1 56 HIS 3.131 0.302 2 0 "[ . 1 . 2]"
1 57 SER 0.002 0.002 18 0 "[ . 1 . 2]"
1 58 VAL 0.033 0.020 9 0 "[ . 1 . 2]"
1 59 LYS 1.382 0.347 7 0 "[ . 1 . 2]"
1 60 ASN 0.107 0.009 17 0 "[ . 1 . 2]"
1 61 THR 0.170 0.030 19 0 "[ . 1 . 2]"
1 62 GLU 0.305 0.305 8 0 "[ . 1 . 2]"
1 63 PHE 0.244 0.030 19 0 "[ . 1 . 2]"
1 64 ARG 0.573 0.030 4 0 "[ . 1 . 2]"
1 65 LYS 0.220 0.199 8 0 "[ . 1 . 2]"
1 66 LEU 2.177 0.402 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 3 MET HA 1 4 GLY HA3 0.000 . 6.000 4.940 4.422 5.377 . 0 0 "[ . 1 . 2]" 1
2 1 3 MET HB2 1 3 MET ME 0.000 . 4.000 3.035 1.855 3.987 . 0 0 "[ . 1 . 2]" 1
3 1 4 GLY HA2 1 5 PRO QD 0.000 . 3.000 2.084 1.946 2.315 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLY HA3 1 5 PRO QD 0.000 . 3.000 2.683 2.322 2.962 . 0 0 "[ . 1 . 2]" 1
5 1 5 PRO HA 1 5 PRO QD 0.000 . 4.000 3.394 3.385 3.401 . 0 0 "[ . 1 . 2]" 1
6 1 5 PRO HA 1 6 LYS H 0.000 . 4.000 2.747 2.216 3.563 . 0 0 "[ . 1 . 2]" 1
7 1 6 LYS H 1 7 ASP HA 0.000 . 6.000 5.294 4.976 5.586 . 0 0 "[ . 1 . 2]" 1
8 1 6 LYS HA 1 6 LYS HB3 0.000 . 3.000 2.627 2.467 3.034 0.034 2 0 "[ . 1 . 2]" 1
9 1 6 LYS HA 1 7 ASP H 0.000 . 4.000 3.016 2.216 3.559 . 0 0 "[ . 1 . 2]" 1
10 1 7 ASP H 1 7 ASP HA 0.000 . 3.000 2.844 2.351 2.970 . 0 0 "[ . 1 . 2]" 1
11 1 7 ASP H 1 7 ASP HB2 0.000 . 4.000 2.799 2.424 3.933 . 0 0 "[ . 1 . 2]" 1
12 1 7 ASP HA 1 8 ILE H 0.000 . 4.000 2.679 2.214 3.555 . 0 0 "[ . 1 . 2]" 1
13 1 7 ASP HB3 1 8 ILE H 0.000 . 4.000 3.502 1.879 4.010 0.010 4 0 "[ . 1 . 2]" 1
14 1 8 ILE H 1 8 ILE HB 0.000 . 4.000 2.626 2.525 2.767 . 0 0 "[ . 1 . 2]" 1
15 1 8 ILE H 1 8 ILE HG12 0.000 . 4.000 3.612 3.185 3.933 . 0 0 "[ . 1 . 2]" 1
16 1 8 ILE H 1 8 ILE MG 0.000 . 4.000 3.836 3.769 3.924 . 0 0 "[ . 1 . 2]" 1
17 1 8 ILE HA 1 8 ILE MD 0.000 . 4.000 3.832 3.813 3.857 . 0 0 "[ . 1 . 2]" 1
18 1 8 ILE HA 1 8 ILE HG12 0.000 . 3.000 2.571 2.522 2.626 . 0 0 "[ . 1 . 2]" 1
19 1 8 ILE HA 1 8 ILE HG13 0.000 . 4.000 3.042 2.962 3.132 . 0 0 "[ . 1 . 2]" 1
20 1 8 ILE HA 1 8 ILE MG 0.000 . 3.000 2.294 2.194 2.428 . 0 0 "[ . 1 . 2]" 1
21 1 8 ILE HA 1 9 VAL H 0.000 . 4.000 2.777 2.238 3.571 . 0 0 "[ . 1 . 2]" 1
22 1 8 ILE HA 1 9 VAL HA 0.000 . 5.000 4.515 4.389 4.823 . 0 0 "[ . 1 . 2]" 1
23 1 8 ILE HB 1 8 ILE HG13 0.000 . 3.000 2.499 2.485 2.519 . 0 0 "[ . 1 . 2]" 1
24 1 8 ILE HB 1 9 VAL H 0.000 . 4.000 3.417 2.477 4.000 0.000 5 0 "[ . 1 . 2]" 1
25 1 8 ILE MG 1 9 VAL H 0.000 . 6.000 2.739 1.917 3.690 . 0 0 "[ . 1 . 2]" 1
26 1 9 VAL H 1 9 VAL HB 0.000 . 4.000 3.010 2.417 3.870 . 0 0 "[ . 1 . 2]" 1
27 1 9 VAL H 1 10 ASP H 0.000 . 5.000 4.117 2.324 4.501 . 0 0 "[ . 1 . 2]" 1
28 1 9 VAL HA 1 9 VAL HB 0.000 . 3.000 2.858 2.441 3.031 0.031 11 0 "[ . 1 . 2]" 1
29 1 9 VAL HA 1 10 ASP H 0.000 . 4.000 2.445 2.195 3.555 . 0 0 "[ . 1 . 2]" 1
30 1 10 ASP H 1 10 ASP HB2 0.000 . 4.000 2.723 2.117 3.718 . 0 0 "[ . 1 . 2]" 1
31 1 10 ASP H 1 10 ASP HB3 0.000 . 4.000 3.304 2.494 3.698 . 0 0 "[ . 1 . 2]" 1
32 1 10 ASP HA 1 10 ASP HB2 0.000 . 3.000 2.840 2.444 3.030 0.030 12 0 "[ . 1 . 2]" 1
33 1 10 ASP HA 1 10 ASP HB3 0.000 . 3.000 2.573 2.326 3.031 0.031 5 0 "[ . 1 . 2]" 1
34 1 10 ASP HA 1 11 PRO HA 0.000 . 5.000 4.464 4.426 4.537 . 0 0 "[ . 1 . 2]" 1
35 1 10 ASP HA 1 11 PRO QG 0.000 . 6.000 3.929 3.799 4.135 . 0 0 "[ . 1 . 2]" 1
36 1 10 ASP HA 1 12 ALA H 0.000 . 5.000 4.365 4.076 4.740 . 0 0 "[ . 1 . 2]" 1
37 1 11 PRO HA 1 12 ALA H 0.000 . 3.000 2.793 2.602 3.006 0.006 18 0 "[ . 1 . 2]" 1
38 1 11 PRO HA 1 12 ALA MB 0.000 . 6.000 4.389 3.650 4.710 . 0 0 "[ . 1 . 2]" 1
39 1 11 PRO HB2 1 12 ALA H 0.000 . 5.000 4.336 4.289 4.349 . 0 0 "[ . 1 . 2]" 1
40 1 11 PRO HB3 1 12 ALA H 0.000 . 5.000 4.690 4.648 4.708 . 0 0 "[ . 1 . 2]" 1
41 1 11 PRO HD2 1 12 ALA H 0.000 . 5.000 4.208 3.578 4.641 . 0 0 "[ . 1 . 2]" 1
42 1 11 PRO HD3 1 12 ALA H 0.000 . 5.000 4.752 4.415 4.992 . 0 0 "[ . 1 . 2]" 1
43 1 11 PRO QG 1 12 ALA H 0.000 . 5.000 4.339 4.133 4.533 . 0 0 "[ . 1 . 2]" 1
44 1 12 ALA H 1 12 ALA HA 0.000 . 3.000 2.814 2.347 2.974 . 0 0 "[ . 1 . 2]" 1
45 1 12 ALA H 1 12 ALA MB 0.000 . 3.000 2.292 2.074 2.897 . 0 0 "[ . 1 . 2]" 1
46 1 12 ALA H 1 13 THR H 0.000 . 3.000 2.564 2.134 2.909 . 0 0 "[ . 1 . 2]" 1
47 1 12 ALA HA 1 13 THR H 0.000 . 4.000 3.438 2.883 3.558 . 0 0 "[ . 1 . 2]" 1
48 1 12 ALA HA 1 13 THR HA 0.000 . 5.000 4.774 4.569 4.929 . 0 0 "[ . 1 . 2]" 1
49 1 12 ALA HA 1 65 LYS HD3 0.000 . 6.000 5.797 5.009 6.199 0.199 8 0 "[ . 1 . 2]" 1
50 1 12 ALA MB 1 13 THR H 0.000 . 4.000 2.851 2.562 3.669 . 0 0 "[ . 1 . 2]" 1
51 1 12 ALA MB 1 14 PRO HD3 0.000 . 6.000 4.894 4.353 5.287 . 0 0 "[ . 1 . 2]" 1
52 1 13 THR H 1 13 THR HB 0.000 . 3.000 2.613 2.417 2.784 . 0 0 "[ . 1 . 2]" 1
53 1 13 THR H 1 13 THR MG 0.000 . 4.000 3.772 3.736 3.833 . 0 0 "[ . 1 . 2]" 1
54 1 13 THR H 1 14 PRO HD3 0.000 . 6.000 4.836 4.638 4.992 . 0 0 "[ . 1 . 2]" 1
55 1 13 THR HA 1 13 THR MG 0.000 . 3.000 2.328 2.219 2.454 . 0 0 "[ . 1 . 2]" 1
56 1 13 THR HA 1 14 PRO HD2 0.000 . 3.000 2.099 2.003 2.217 . 0 0 "[ . 1 . 2]" 1
57 1 13 THR HA 1 14 PRO HD3 0.000 . 3.000 2.320 2.291 2.380 . 0 0 "[ . 1 . 2]" 1
58 1 13 THR HA 1 14 PRO HG2 0.000 . 5.000 4.287 4.210 4.381 . 0 0 "[ . 1 . 2]" 1
59 1 13 THR HA 1 14 PRO HG3 0.000 . 5.000 4.376 4.362 4.414 . 0 0 "[ . 1 . 2]" 1
60 1 13 THR HB 1 14 PRO HD2 0.000 . 5.000 4.132 3.746 4.452 . 0 0 "[ . 1 . 2]" 1
61 1 13 THR HB 1 15 TYR HA 0.000 . 6.000 5.780 5.481 5.994 . 0 0 "[ . 1 . 2]" 1
62 1 13 THR MG 1 14 PRO HB2 0.000 . 5.000 4.612 4.404 4.754 . 0 0 "[ . 1 . 2]" 1
63 1 13 THR MG 1 14 PRO HB3 0.000 . 5.000 4.855 4.643 5.005 0.005 1 0 "[ . 1 . 2]" 1
64 1 13 THR MG 1 14 PRO HD2 0.000 . 3.000 2.000 1.755 2.520 . 0 0 "[ . 1 . 2]" 1
65 1 13 THR MG 1 14 PRO HD3 0.000 . 4.000 3.353 3.078 3.720 . 0 0 "[ . 1 . 2]" 1
66 1 13 THR MG 1 14 PRO HG2 0.000 . 6.000 3.267 2.985 3.607 . 0 0 "[ . 1 . 2]" 1
67 1 13 THR MG 1 14 PRO HG3 0.000 . 5.000 4.199 3.921 4.603 . 0 0 "[ . 1 . 2]" 1
68 1 13 THR MG 1 15 TYR HA 0.000 . 5.000 4.345 3.925 4.768 . 0 0 "[ . 1 . 2]" 1
69 1 13 THR MG 1 15 TYR QD 0.000 . 6.000 4.697 4.009 5.549 . 0 0 "[ . 1 . 2]" 1
70 1 13 THR MG 1 15 TYR QE 0.000 . 6.000 4.731 3.995 5.889 . 0 0 "[ . 1 . 2]" 1
71 1 14 PRO HA 1 14 PRO HB3 0.000 . 3.000 2.287 2.285 2.288 . 0 0 "[ . 1 . 2]" 1
72 1 14 PRO HA 1 14 PRO HG2 0.000 . 4.000 3.849 3.840 3.854 . 0 0 "[ . 1 . 2]" 1
73 1 14 PRO HA 1 15 TYR H 0.000 . 3.000 2.250 2.204 2.311 . 0 0 "[ . 1 . 2]" 1
74 1 14 PRO HA 1 15 TYR HA 0.000 . 5.000 4.444 4.421 4.470 . 0 0 "[ . 1 . 2]" 1
75 1 14 PRO HA 1 18 ASP QB 0.000 . 5.000 4.375 4.252 4.598 . 0 0 "[ . 1 . 2]" 1
76 1 14 PRO HA 1 65 LYS QE 0.000 . 6.000 3.287 2.131 4.210 . 0 0 "[ . 1 . 2]" 1
77 1 14 PRO HB2 1 15 TYR H 0.000 . 4.000 3.210 2.968 3.487 . 0 0 "[ . 1 . 2]" 1
78 1 14 PRO HB2 1 18 ASP H 0.000 . 6.000 5.454 4.833 5.912 . 0 0 "[ . 1 . 2]" 1
79 1 14 PRO HB2 1 18 ASP QB 0.000 . 5.000 3.807 2.926 4.302 . 0 0 "[ . 1 . 2]" 1
80 1 14 PRO HB2 1 34 PHE QD 0.000 . 5.000 3.142 2.443 3.633 . 0 0 "[ . 1 . 2]" 1
81 1 14 PRO HB2 1 34 PHE QE 0.000 . 5.000 2.381 1.867 2.768 . 0 0 "[ . 1 . 2]" 1
82 1 14 PRO HB3 1 14 PRO HD2 0.000 . 4.000 3.880 3.871 3.886 . 0 0 "[ . 1 . 2]" 1
83 1 14 PRO HB3 1 14 PRO HD3 0.000 . 4.000 2.993 2.962 3.011 . 0 0 "[ . 1 . 2]" 1
84 1 14 PRO HB3 1 15 TYR H 0.000 . 4.000 3.822 3.674 4.002 0.002 18 0 "[ . 1 . 2]" 1
85 1 14 PRO HB3 1 18 ASP QB 0.000 . 6.000 4.411 3.821 4.790 . 0 0 "[ . 1 . 2]" 1
86 1 14 PRO HB3 1 34 PHE QD 0.000 . 5.000 4.363 3.969 4.753 . 0 0 "[ . 1 . 2]" 1
87 1 14 PRO HB3 1 34 PHE QE 0.000 . 5.000 2.728 2.471 2.989 . 0 0 "[ . 1 . 2]" 1
88 1 14 PRO HB3 1 65 LYS HD2 0.000 . 5.000 2.346 1.873 3.469 . 0 0 "[ . 1 . 2]" 1
89 1 14 PRO HD2 1 14 PRO HG2 0.000 . 3.000 2.313 2.310 2.320 . 0 0 "[ . 1 . 2]" 1
90 1 14 PRO HD2 1 14 PRO HG3 0.000 . 3.000 2.706 2.696 2.713 . 0 0 "[ . 1 . 2]" 1
91 1 14 PRO HD3 1 14 PRO HG3 0.000 . 3.000 2.311 2.309 2.318 . 0 0 "[ . 1 . 2]" 1
92 1 14 PRO HG2 1 63 PHE QE 0.000 . 6.000 4.969 4.613 5.202 . 0 0 "[ . 1 . 2]" 1
93 1 14 PRO HG2 1 63 PHE HZ 0.000 . 6.000 4.760 4.282 5.221 . 0 0 "[ . 1 . 2]" 1
94 1 14 PRO HG3 1 63 PHE QD 0.000 . 6.000 5.963 5.722 6.022 0.022 10 0 "[ . 1 . 2]" 1
95 1 14 PRO HG3 1 63 PHE QE 0.000 . 5.000 3.851 3.693 4.078 . 0 0 "[ . 1 . 2]" 1
96 1 14 PRO HG3 1 63 PHE HZ 0.000 . 6.000 3.989 3.079 4.836 . 0 0 "[ . 1 . 2]" 1
97 1 15 TYR H 1 15 TYR HB2 0.000 . 2.500 2.405 2.294 2.508 0.008 11 0 "[ . 1 . 2]" 1
98 1 15 TYR H 1 15 TYR HB3 0.000 . 4.000 3.645 3.585 3.720 . 0 0 "[ . 1 . 2]" 1
99 1 15 TYR H 1 15 TYR QD 0.000 . 4.000 2.766 2.029 3.598 . 0 0 "[ . 1 . 2]" 1
100 1 15 TYR H 1 16 PRO HD2 0.000 . 6.000 4.816 4.793 4.842 . 0 0 "[ . 1 . 2]" 1
101 1 15 TYR H 1 16 PRO HD3 0.000 . 5.000 5.148 5.090 5.176 0.176 17 0 "[ . 1 . 2]" 1
102 1 15 TYR H 1 18 ASP H 0.000 . 5.000 4.772 4.543 4.999 . 0 0 "[ . 1 . 2]" 1
103 1 15 TYR H 1 18 ASP QB 0.000 . 5.000 3.322 2.941 3.763 . 0 0 "[ . 1 . 2]" 1
104 1 15 TYR H 1 34 PHE QD 0.000 . 6.000 4.445 3.472 5.243 . 0 0 "[ . 1 . 2]" 1
105 1 15 TYR H 1 65 LYS QE 0.000 . 6.000 4.066 1.973 6.002 0.002 19 0 "[ . 1 . 2]" 1
106 1 15 TYR HA 1 15 TYR HB3 0.000 . 2.700 2.559 2.464 2.605 . 0 0 "[ . 1 . 2]" 1
107 1 15 TYR HA 1 15 TYR QE 0.000 . 6.000 4.408 4.136 4.610 . 0 0 "[ . 1 . 2]" 1
108 1 15 TYR HA 1 16 PRO HA 0.000 . 5.000 4.426 4.423 4.428 . 0 0 "[ . 1 . 2]" 1
109 1 15 TYR HA 1 16 PRO HB3 0.000 . 6.000 4.912 4.899 4.925 . 0 0 "[ . 1 . 2]" 1
110 1 15 TYR HA 1 16 PRO HD2 0.000 . 3.000 2.500 2.460 2.517 . 0 0 "[ . 1 . 2]" 1
111 1 15 TYR HA 1 18 ASP QB 0.000 . 6.000 5.130 4.620 5.352 . 0 0 "[ . 1 . 2]" 1
112 1 15 TYR HA 1 34 PHE QD 0.000 . 6.000 5.341 4.814 5.863 . 0 0 "[ . 1 . 2]" 1
113 1 15 TYR HB2 1 15 TYR QD 0.000 . 3.000 2.435 2.303 2.689 . 0 0 "[ . 1 . 2]" 1
114 1 15 TYR HB2 1 16 PRO HD2 0.000 . 5.000 3.551 3.454 3.628 . 0 0 "[ . 1 . 2]" 1
115 1 15 TYR HB2 1 16 PRO HD3 0.000 . 5.000 4.671 4.602 4.712 . 0 0 "[ . 1 . 2]" 1
116 1 15 TYR HB3 1 15 TYR QD 0.000 . 3.000 2.482 2.303 2.781 . 0 0 "[ . 1 . 2]" 1
117 1 15 TYR HB3 1 16 PRO HD2 0.000 . 5.000 1.925 1.868 2.004 . 0 0 "[ . 1 . 2]" 1
118 1 15 TYR HB3 1 16 PRO HD3 0.000 . 5.000 3.386 3.328 3.449 . 0 0 "[ . 1 . 2]" 1
119 1 15 TYR QD 1 16 PRO HD2 0.000 . 5.000 2.571 2.174 3.335 . 0 0 "[ . 1 . 2]" 1
120 1 15 TYR QD 1 16 PRO HD3 0.000 . 4.000 3.427 2.792 4.099 0.099 4 0 "[ . 1 . 2]" 1
121 1 15 TYR QE 1 16 PRO HD3 0.000 . 6.000 5.389 4.987 5.882 . 0 0 "[ . 1 . 2]" 1
122 1 16 PRO HA 1 16 PRO HB3 0.000 . 3.000 2.287 2.285 2.288 . 0 0 "[ . 1 . 2]" 1
123 1 16 PRO HA 1 16 PRO HG2 0.000 . 4.000 3.846 3.840 3.850 . 0 0 "[ . 1 . 2]" 1
124 1 16 PRO HA 1 17 GLY H 0.000 . 3.000 2.208 2.198 2.220 . 0 0 "[ . 1 . 2]" 1
125 1 16 PRO HA 1 17 GLY HA2 0.000 . 5.000 4.501 4.487 4.520 . 0 0 "[ . 1 . 2]" 1
126 1 16 PRO HA 1 17 GLY HA3 0.000 . 5.000 4.476 4.467 4.490 . 0 0 "[ . 1 . 2]" 1
127 1 16 PRO HA 1 18 ASP H 0.000 . 4.000 3.391 3.322 3.449 . 0 0 "[ . 1 . 2]" 1
128 1 16 PRO HA 1 33 ILE MG 0.000 . 6.000 4.493 3.992 5.077 . 0 0 "[ . 1 . 2]" 1
129 1 16 PRO HA 1 34 PHE H 0.000 . 5.000 4.354 4.047 4.658 . 0 0 "[ . 1 . 2]" 1
130 1 16 PRO HA 1 34 PHE QD 0.000 . 5.000 3.819 3.292 4.390 . 0 0 "[ . 1 . 2]" 1
131 1 16 PRO HA 1 35 THR HA 0.000 . 6.000 5.499 4.929 5.949 . 0 0 "[ . 1 . 2]" 1
132 1 16 PRO HB2 1 16 PRO HD2 0.000 . 4.000 4.055 4.050 4.063 0.063 17 0 "[ . 1 . 2]" 1
133 1 16 PRO HB3 1 16 PRO HD2 0.000 . 4.000 3.878 3.870 3.882 . 0 0 "[ . 1 . 2]" 1
134 1 16 PRO HB3 1 16 PRO HG2 0.000 . 3.000 2.995 2.993 2.997 . 0 0 "[ . 1 . 2]" 1
135 1 16 PRO HB3 1 17 GLY H 0.000 . 4.000 3.981 3.915 4.046 0.046 13 0 "[ . 1 . 2]" 1
136 1 16 PRO HB3 1 34 PHE HB3 0.000 . 5.000 3.820 3.316 4.509 . 0 0 "[ . 1 . 2]" 1
137 1 16 PRO HD2 1 16 PRO HG3 0.000 . 3.000 2.703 2.695 2.707 . 0 0 "[ . 1 . 2]" 1
138 1 17 GLY H 1 17 GLY HA2 0.000 . 3.000 2.427 2.394 2.460 . 0 0 "[ . 1 . 2]" 1
139 1 17 GLY H 1 17 GLY HA3 0.000 . 3.000 2.973 2.955 2.987 . 0 0 "[ . 1 . 2]" 1
140 1 17 GLY H 1 18 ASP H 0.000 . 3.000 2.476 2.376 2.551 . 0 0 "[ . 1 . 2]" 1
141 1 17 GLY H 1 18 ASP QB 0.000 . 5.000 4.470 4.336 4.776 . 0 0 "[ . 1 . 2]" 1
142 1 17 GLY H 1 33 ILE MG 0.000 . 4.000 2.729 2.306 3.275 . 0 0 "[ . 1 . 2]" 1
143 1 17 GLY H 1 34 PHE H 0.000 . 5.000 3.189 2.951 3.517 . 0 0 "[ . 1 . 2]" 1
144 1 17 GLY H 1 34 PHE HB2 0.000 . 5.000 2.240 1.943 2.756 . 0 0 "[ . 1 . 2]" 1
145 1 17 GLY H 1 34 PHE HB3 0.000 . 6.000 3.444 3.003 3.986 . 0 0 "[ . 1 . 2]" 1
146 1 17 GLY H 1 34 PHE QD 0.000 . 5.000 3.910 3.562 4.307 . 0 0 "[ . 1 . 2]" 1
147 1 17 GLY H 1 35 THR HG1 0.000 . 6.000 5.516 5.134 5.753 . 0 0 "[ . 1 . 2]" 1
148 1 17 GLY H 1 35 THR MG 0.000 . 6.000 5.639 5.211 5.939 . 0 0 "[ . 1 . 2]" 1
149 1 17 GLY HA2 1 18 ASP H 0.000 . 4.000 3.395 3.368 3.437 . 0 0 "[ . 1 . 2]" 1
150 1 17 GLY HA2 1 33 ILE MD 0.000 . 6.000 4.320 3.993 4.771 . 0 0 "[ . 1 . 2]" 1
151 1 17 GLY HA2 1 33 ILE MG 0.000 . 4.000 2.183 1.775 2.632 . 0 0 "[ . 1 . 2]" 1
152 1 17 GLY HA3 1 18 ASP H 0.000 . 4.000 3.179 3.116 3.217 . 0 0 "[ . 1 . 2]" 1
153 1 17 GLY HA3 1 33 ILE MG 0.000 . 4.000 3.513 3.078 4.002 0.002 13 0 "[ . 1 . 2]" 1
154 1 18 ASP H 1 18 ASP QB 0.000 . 2.500 2.420 2.372 2.463 . 0 0 "[ . 1 . 2]" 1
155 1 18 ASP H 1 19 LYS H 0.000 . 5.000 4.647 4.574 4.679 . 0 0 "[ . 1 . 2]" 1
156 1 18 ASP H 1 33 ILE HA 0.000 . 6.000 5.023 4.611 5.298 . 0 0 "[ . 1 . 2]" 1
157 1 18 ASP H 1 33 ILE MG 0.000 . 5.000 3.467 3.112 4.042 . 0 0 "[ . 1 . 2]" 1
158 1 18 ASP H 1 34 PHE H 0.000 . 5.000 3.697 3.219 3.917 . 0 0 "[ . 1 . 2]" 1
159 1 18 ASP H 1 34 PHE HB2 0.000 . 4.000 3.085 2.651 3.293 . 0 0 "[ . 1 . 2]" 1
160 1 18 ASP H 1 34 PHE HB3 0.000 . 5.000 4.713 4.325 4.919 . 0 0 "[ . 1 . 2]" 1
161 1 18 ASP H 1 34 PHE QD 0.000 . 5.000 3.160 2.672 3.654 . 0 0 "[ . 1 . 2]" 1
162 1 18 ASP HA 1 18 ASP QB 0.000 . 2.700 2.356 2.196 2.402 . 0 0 "[ . 1 . 2]" 1
163 1 18 ASP HA 1 19 LYS H 0.000 . 3.000 2.381 2.272 2.634 . 0 0 "[ . 1 . 2]" 1
164 1 18 ASP HA 1 19 LYS HA 0.000 . 5.000 4.402 4.389 4.430 . 0 0 "[ . 1 . 2]" 1
165 1 18 ASP HA 1 34 PHE HB2 0.000 . 6.000 5.664 5.379 5.823 . 0 0 "[ . 1 . 2]" 1
166 1 18 ASP QB 1 19 LYS H 0.000 . 4.000 2.638 2.197 2.893 . 0 0 "[ . 1 . 2]" 1
167 1 18 ASP QB 1 34 PHE HB2 0.000 . 5.000 3.979 3.433 4.758 . 0 0 "[ . 1 . 2]" 1
168 1 19 LYS H 1 19 LYS QD 0.000 . 5.000 3.983 3.863 4.286 . 0 0 "[ . 1 . 2]" 1
169 1 19 LYS H 1 19 LYS HG3 0.000 . 4.000 2.435 2.207 2.767 . 0 0 "[ . 1 . 2]" 1
170 1 19 LYS H 1 20 VAL H 0.000 . 5.000 4.615 4.543 4.657 . 0 0 "[ . 1 . 2]" 1
171 1 19 LYS HA 1 19 LYS QD 0.000 . 5.000 3.930 3.893 4.164 . 0 0 "[ . 1 . 2]" 1
172 1 19 LYS HA 1 19 LYS QE 0.000 . 5.000 4.565 3.763 4.997 . 0 0 "[ . 1 . 2]" 1
173 1 19 LYS HA 1 19 LYS HG3 0.000 . 4.000 3.068 2.980 3.172 . 0 0 "[ . 1 . 2]" 1
174 1 19 LYS HA 1 20 VAL H 0.000 . 5.000 2.258 2.239 2.291 . 0 0 "[ . 1 . 2]" 1
175 1 19 LYS HA 1 20 VAL MG2 0.000 . 5.000 3.960 3.865 4.025 . 0 0 "[ . 1 . 2]" 1
176 1 19 LYS HA 1 32 ALA H 0.000 . 6.000 4.542 4.176 5.054 . 0 0 "[ . 1 . 2]" 1
177 1 19 LYS HA 1 33 ILE HA 0.000 . 3.000 2.892 2.751 2.999 . 0 0 "[ . 1 . 2]" 1
178 1 19 LYS HA 1 33 ILE MD 0.000 . 5.000 1.836 1.749 2.042 . 0 0 "[ . 1 . 2]" 1
179 1 19 LYS HA 1 33 ILE HG12 0.000 . 5.000 4.376 4.211 4.599 . 0 0 "[ . 1 . 2]" 1
180 1 19 LYS HA 1 33 ILE MG 0.000 . 5.000 3.576 3.390 3.817 . 0 0 "[ . 1 . 2]" 1
181 1 19 LYS HA 1 34 PHE H 0.000 . 5.000 4.389 4.135 4.589 . 0 0 "[ . 1 . 2]" 1
182 1 19 LYS QB 1 20 VAL H 0.000 . 3.000 2.948 2.833 3.006 0.006 19 0 "[ . 1 . 2]" 1
183 1 19 LYS QB 1 31 GLN HB3 0.000 . 6.000 3.597 3.325 3.875 . 0 0 "[ . 1 . 2]" 1
184 1 19 LYS QB 1 66 LEU QB 0.000 . 6.000 3.748 2.780 4.578 . 0 0 "[ . 1 . 2]" 1
185 1 19 LYS QB 1 66 LEU MD1 0.000 . 6.000 2.699 1.707 3.121 . 0 0 "[ . 1 . 2]" 1
186 1 19 LYS QB 1 66 LEU MD2 0.000 . 6.000 2.816 1.749 5.005 . 0 0 "[ . 1 . 2]" 1
187 1 19 LYS HG2 1 20 VAL H 0.000 . 6.000 4.227 4.149 4.303 . 0 0 "[ . 1 . 2]" 1
188 1 19 LYS HG2 1 33 ILE MG 0.000 . 6.000 4.128 3.785 4.403 . 0 0 "[ . 1 . 2]" 1
189 1 19 LYS HG3 1 20 VAL H 0.000 . 6.000 5.063 5.010 5.124 . 0 0 "[ . 1 . 2]" 1
190 1 20 VAL H 1 20 VAL MG2 0.000 . 3.000 2.237 2.123 2.309 . 0 0 "[ . 1 . 2]" 1
191 1 20 VAL H 1 32 ALA H 0.000 . 4.000 2.660 2.297 3.074 . 0 0 "[ . 1 . 2]" 1
192 1 20 VAL H 1 32 ALA MB 0.000 . 4.000 3.908 3.713 4.011 0.011 15 0 "[ . 1 . 2]" 1
193 1 20 VAL H 1 33 ILE HA 0.000 . 5.000 3.347 3.137 3.509 . 0 0 "[ . 1 . 2]" 1
194 1 20 VAL H 1 65 LYS HA 0.000 . 6.000 5.426 4.955 5.678 . 0 0 "[ . 1 . 2]" 1
195 1 20 VAL H 1 66 LEU H 0.000 . 5.000 4.951 4.675 5.009 0.009 8 0 "[ . 1 . 2]" 1
196 1 20 VAL HA 1 20 VAL HB 0.000 . 3.000 2.411 2.396 2.440 . 0 0 "[ . 1 . 2]" 1
197 1 20 VAL HA 1 20 VAL MG1 0.000 . 3.000 2.454 2.320 2.529 . 0 0 "[ . 1 . 2]" 1
198 1 20 VAL HA 1 21 ILE H 0.000 . 3.000 2.346 2.310 2.402 . 0 0 "[ . 1 . 2]" 1
199 1 20 VAL HA 1 21 ILE MG 0.000 . 5.000 3.769 3.640 3.940 . 0 0 "[ . 1 . 2]" 1
200 1 20 VAL HA 1 33 ILE MD 0.000 . 6.000 5.205 5.062 5.389 . 0 0 "[ . 1 . 2]" 1
201 1 20 VAL HA 1 63 PHE QD 0.000 . 5.000 4.355 3.865 4.653 . 0 0 "[ . 1 . 2]" 1
202 1 20 VAL HA 1 64 ARG H 0.000 . 6.000 5.643 5.262 5.975 . 0 0 "[ . 1 . 2]" 1
203 1 20 VAL HA 1 65 LYS H 0.000 . 6.000 5.324 4.876 5.550 . 0 0 "[ . 1 . 2]" 1
204 1 20 VAL HA 1 65 LYS HA 0.000 . 3.000 2.526 2.013 2.845 . 0 0 "[ . 1 . 2]" 1
205 1 20 VAL HA 1 66 LEU H 0.000 . 3.000 2.374 2.038 2.666 . 0 0 "[ . 1 . 2]" 1
206 1 20 VAL HA 1 66 LEU QB 0.000 . 5.000 3.828 3.271 4.228 . 0 0 "[ . 1 . 2]" 1
207 1 20 VAL HA 1 66 LEU MD1 0.000 . 6.000 3.721 1.806 4.965 . 0 0 "[ . 1 . 2]" 1
208 1 20 VAL HA 1 66 LEU MD2 0.000 . 5.000 3.294 2.148 4.677 . 0 0 "[ . 1 . 2]" 1
209 1 20 VAL HA 1 66 LEU HG 0.000 . 6.000 3.604 2.543 4.718 . 0 0 "[ . 1 . 2]" 1
210 1 20 VAL HB 1 21 ILE H 0.000 . 4.000 2.787 2.641 2.917 . 0 0 "[ . 1 . 2]" 1
211 1 20 VAL HB 1 63 PHE HB2 0.000 . 6.000 4.128 3.807 4.449 . 0 0 "[ . 1 . 2]" 1
212 1 20 VAL HB 1 63 PHE HB3 0.000 . 6.000 5.462 5.060 5.758 . 0 0 "[ . 1 . 2]" 1
213 1 20 VAL HB 1 63 PHE QD 0.000 . 3.000 2.498 2.125 2.858 . 0 0 "[ . 1 . 2]" 1
214 1 20 VAL HB 1 63 PHE QE 0.000 . 5.000 3.068 2.709 3.537 . 0 0 "[ . 1 . 2]" 1
215 1 20 VAL HB 1 66 LEU H 0.000 . 5.000 4.331 3.759 4.864 . 0 0 "[ . 1 . 2]" 1
216 1 20 VAL MG1 1 20 VAL MG2 0.000 . 3.000 1.982 1.842 2.046 . 0 0 "[ . 1 . 2]" 1
217 1 20 VAL MG1 1 21 ILE H 0.000 . 5.000 3.996 3.949 4.067 . 0 0 "[ . 1 . 2]" 1
218 1 20 VAL MG1 1 32 ALA MB 0.000 . 6.000 3.801 3.550 4.103 . 0 0 "[ . 1 . 2]" 1
219 1 20 VAL MG1 1 34 PHE HB2 0.000 . 4.000 3.987 3.955 4.008 0.008 12 0 "[ . 1 . 2]" 1
220 1 20 VAL MG1 1 34 PHE HB3 0.000 . 5.000 4.685 4.541 4.877 . 0 0 "[ . 1 . 2]" 1
221 1 20 VAL MG1 1 34 PHE QD 0.000 . 6.000 2.676 2.453 3.003 . 0 0 "[ . 1 . 2]" 1
222 1 20 VAL MG1 1 43 SER HB2 0.000 . 6.000 5.586 5.170 5.898 . 0 0 "[ . 1 . 2]" 1
223 1 20 VAL MG1 1 45 LEU HA 0.000 . 6.000 4.642 4.113 5.225 . 0 0 "[ . 1 . 2]" 1
224 1 20 VAL MG1 1 45 LEU QD 0.000 . 5.000 2.273 1.691 2.847 . 0 0 "[ . 1 . 2]" 1
225 1 20 VAL MG1 1 63 PHE QD 0.000 . 4.000 3.764 3.508 4.001 0.001 4 0 "[ . 1 . 2]" 1
226 1 20 VAL MG1 1 63 PHE QE 0.000 . 5.000 2.951 2.535 3.359 . 0 0 "[ . 1 . 2]" 1
227 1 20 VAL MG1 1 63 PHE HZ 0.000 . 5.000 4.467 3.999 5.002 0.002 2 0 "[ . 1 . 2]" 1
228 1 20 VAL MG1 1 65 LYS H 0.000 . 6.000 5.151 4.592 5.424 . 0 0 "[ . 1 . 2]" 1
229 1 20 VAL MG1 1 65 LYS HA 0.000 . 4.000 3.094 2.642 3.408 . 0 0 "[ . 1 . 2]" 1
230 1 20 VAL MG1 1 66 LEU H 0.000 . 5.000 3.923 3.589 4.249 . 0 0 "[ . 1 . 2]" 1
231 1 20 VAL MG2 1 21 ILE H 0.000 . 4.000 3.483 3.372 3.606 . 0 0 "[ . 1 . 2]" 1
232 1 20 VAL MG2 1 21 ILE HA 0.000 . 4.000 3.684 3.603 3.779 . 0 0 "[ . 1 . 2]" 1
233 1 20 VAL MG2 1 31 GLN HA 0.000 . 5.000 3.768 3.592 3.988 . 0 0 "[ . 1 . 2]" 1
234 1 20 VAL MG2 1 32 ALA H 0.000 . 5.000 1.989 1.850 2.271 . 0 0 "[ . 1 . 2]" 1
235 1 20 VAL MG2 1 32 ALA HA 0.000 . 5.000 3.548 3.309 3.825 . 0 0 "[ . 1 . 2]" 1
236 1 20 VAL MG2 1 32 ALA MB 0.000 . 3.000 1.857 1.707 2.108 . 0 0 "[ . 1 . 2]" 1
237 1 20 VAL MG2 1 33 ILE H 0.000 . 5.000 3.625 3.307 3.898 . 0 0 "[ . 1 . 2]" 1
238 1 20 VAL MG2 1 34 PHE H 0.000 . 4.000 3.819 3.439 4.008 0.008 7 0 "[ . 1 . 2]" 1
239 1 20 VAL MG2 1 34 PHE HA 0.000 . 5.000 4.186 3.996 4.357 . 0 0 "[ . 1 . 2]" 1
240 1 20 VAL MG2 1 34 PHE HB3 0.000 . 6.000 5.899 5.700 6.005 0.005 18 0 "[ . 1 . 2]" 1
241 1 20 VAL MG2 1 45 LEU HB2 0.000 . 6.000 3.708 3.336 3.928 . 0 0 "[ . 1 . 2]" 1
242 1 20 VAL MG2 1 45 LEU QD 0.000 . 3.000 1.681 1.563 1.800 . 0 0 "[ . 1 . 2]" 1
243 1 20 VAL MG2 1 63 PHE HB2 0.000 . 5.000 3.860 3.586 4.271 . 0 0 "[ . 1 . 2]" 1
244 1 20 VAL MG2 1 63 PHE HB3 0.000 . 6.000 4.686 4.467 5.040 . 0 0 "[ . 1 . 2]" 1
245 1 20 VAL MG2 1 63 PHE QD 0.000 . 4.000 3.355 2.810 3.854 . 0 0 "[ . 1 . 2]" 1
246 1 20 VAL MG2 1 63 PHE QE 0.000 . 5.000 3.920 3.325 4.400 . 0 0 "[ . 1 . 2]" 1
247 1 20 VAL MG2 1 64 ARG H 0.000 . 6.000 5.169 4.902 5.641 . 0 0 "[ . 1 . 2]" 1
248 1 20 VAL MG2 1 65 LYS HA 0.000 . 5.000 4.616 4.217 4.949 . 0 0 "[ . 1 . 2]" 1
249 1 21 ILE H 1 21 ILE MG 0.000 . 3.000 2.074 1.891 2.248 . 0 0 "[ . 1 . 2]" 1
250 1 21 ILE H 1 22 ILE H 0.000 . 5.000 4.472 4.446 4.493 . 0 0 "[ . 1 . 2]" 1
251 1 21 ILE H 1 63 PHE HA 0.000 . 6.000 5.722 5.295 6.005 0.005 8 0 "[ . 1 . 2]" 1
252 1 21 ILE H 1 63 PHE QD 0.000 . 5.000 3.486 2.974 3.937 . 0 0 "[ . 1 . 2]" 1
253 1 21 ILE H 1 64 ARG H 0.000 . 4.000 3.673 3.334 4.006 0.006 15 0 "[ . 1 . 2]" 1
254 1 21 ILE H 1 64 ARG HA 0.000 . 6.000 5.180 4.966 5.418 . 0 0 "[ . 1 . 2]" 1
255 1 21 ILE H 1 65 LYS HA 0.000 . 4.000 3.107 2.684 3.601 . 0 0 "[ . 1 . 2]" 1
256 1 21 ILE H 1 66 LEU H 0.000 . 4.000 3.175 2.408 3.906 . 0 0 "[ . 1 . 2]" 1
257 1 21 ILE H 1 66 LEU MD1 0.000 . 6.000 4.178 1.925 5.659 . 0 0 "[ . 1 . 2]" 1
258 1 21 ILE H 1 66 LEU MD2 0.000 . 6.000 3.514 2.837 4.546 . 0 0 "[ . 1 . 2]" 1
259 1 21 ILE HA 1 22 ILE H 0.000 . 3.000 2.265 2.240 2.301 . 0 0 "[ . 1 . 2]" 1
260 1 21 ILE HA 1 22 ILE HG13 0.000 . 5.000 4.301 3.588 5.335 0.335 9 0 "[ . 1 . 2]" 1
261 1 21 ILE HA 1 31 GLN HA 0.000 . 3.000 2.487 2.258 2.778 . 0 0 "[ . 1 . 2]" 1
262 1 21 ILE HA 1 32 ALA H 0.000 . 5.000 3.448 3.008 3.701 . 0 0 "[ . 1 . 2]" 1
263 1 21 ILE HA 1 66 LEU MD1 0.000 . 6.000 4.649 2.789 6.000 0.000 13 0 "[ . 1 . 2]" 1
264 1 21 ILE HA 1 66 LEU MD2 0.000 . 6.000 3.757 3.195 4.512 . 0 0 "[ . 1 . 2]" 1
265 1 21 ILE HB 1 22 ILE H 0.000 . 5.000 4.127 4.078 4.169 . 0 0 "[ . 1 . 2]" 1
266 1 21 ILE HB 1 66 LEU MD1 0.000 . 4.000 3.245 1.853 4.402 0.402 15 0 "[ . 1 . 2]" 1
267 1 21 ILE HB 1 66 LEU MD2 0.000 . 5.000 2.299 1.722 2.847 . 0 0 "[ . 1 . 2]" 1
268 1 21 ILE MD 1 22 ILE H 0.000 . 3.000 2.564 1.982 2.993 . 0 0 "[ . 1 . 2]" 1
269 1 21 ILE MD 1 22 ILE HA 0.000 . 6.000 4.950 4.565 5.209 . 0 0 "[ . 1 . 2]" 1
270 1 21 ILE MD 1 22 ILE HG13 0.000 . 6.000 4.750 4.234 5.271 . 0 0 "[ . 1 . 2]" 1
271 1 21 ILE MD 1 29 GLY H 0.000 . 6.000 3.167 2.857 3.384 . 0 0 "[ . 1 . 2]" 1
272 1 21 ILE MD 1 29 GLY HA2 0.000 . 4.000 2.551 2.356 2.752 . 0 0 "[ . 1 . 2]" 1
273 1 21 ILE MD 1 29 GLY HA3 0.000 . 4.000 3.918 3.718 3.999 . 0 0 "[ . 1 . 2]" 1
274 1 21 ILE MD 1 30 PHE HB2 0.000 . 6.000 4.666 4.371 5.039 . 0 0 "[ . 1 . 2]" 1
275 1 21 ILE MD 1 31 GLN H 0.000 . 6.000 3.760 3.435 4.097 . 0 0 "[ . 1 . 2]" 1
276 1 21 ILE MD 1 31 GLN HA 0.000 . 4.000 2.636 2.262 2.919 . 0 0 "[ . 1 . 2]" 1
277 1 21 ILE MD 1 31 GLN HB2 0.000 . 5.000 4.460 4.099 4.792 . 0 0 "[ . 1 . 2]" 1
278 1 21 ILE MD 1 31 GLN HB3 0.000 . 5.000 4.190 3.864 4.423 . 0 0 "[ . 1 . 2]" 1
279 1 21 ILE MD 1 31 GLN HG2 0.000 . 4.000 2.425 2.155 2.661 . 0 0 "[ . 1 . 2]" 1
280 1 21 ILE MD 1 31 GLN HG3 0.000 . 4.000 2.886 2.553 3.241 . 0 0 "[ . 1 . 2]" 1
281 1 21 ILE MD 1 32 ALA H 0.000 . 6.000 4.383 3.985 4.732 . 0 0 "[ . 1 . 2]" 1
282 1 21 ILE MD 1 64 ARG H 0.000 . 6.000 5.840 5.642 6.002 0.002 2 0 "[ . 1 . 2]" 1
283 1 21 ILE MD 1 66 LEU HG 0.000 . 6.000 5.147 3.980 6.004 0.004 15 0 "[ . 1 . 2]" 1
284 1 21 ILE HG12 1 22 ILE H 0.000 . 4.000 3.952 3.811 4.012 0.012 2 0 "[ . 1 . 2]" 1
285 1 21 ILE HG13 1 22 ILE H 0.000 . 4.000 2.292 2.131 2.412 . 0 0 "[ . 1 . 2]" 1
286 1 21 ILE MG 1 22 ILE H 0.000 . 4.000 3.741 3.613 3.851 . 0 0 "[ . 1 . 2]" 1
287 1 21 ILE MG 1 23 THR MG 0.000 . 5.000 2.554 2.361 2.743 . 0 0 "[ . 1 . 2]" 1
288 1 21 ILE MG 1 29 GLY H 0.000 . 6.000 5.131 4.916 5.391 . 0 0 "[ . 1 . 2]" 1
289 1 21 ILE MG 1 64 ARG H 0.000 . 5.000 2.846 2.334 3.209 . 0 0 "[ . 1 . 2]" 1
290 1 21 ILE MG 1 64 ARG HB2 0.000 . 5.000 3.286 2.357 4.513 . 0 0 "[ . 1 . 2]" 1
291 1 21 ILE MG 1 64 ARG HB3 0.000 . 5.000 3.526 2.722 4.056 . 0 0 "[ . 1 . 2]" 1
292 1 21 ILE MG 1 64 ARG QD 0.000 . 5.000 4.127 3.101 5.002 0.002 3 0 "[ . 1 . 2]" 1
293 1 21 ILE MG 1 64 ARG QG 0.000 . 6.000 3.870 1.687 4.530 . 0 0 "[ . 1 . 2]" 1
294 1 21 ILE MG 1 65 LYS HB2 0.000 . 6.000 5.648 5.235 6.006 0.006 14 0 "[ . 1 . 2]" 1
295 1 21 ILE MG 1 66 LEU HA 0.000 . 4.000 3.096 2.503 3.842 . 0 0 "[ . 1 . 2]" 1
296 1 21 ILE MG 1 66 LEU QB 0.000 . 6.000 3.113 1.833 4.293 . 0 0 "[ . 1 . 2]" 1
297 1 21 ILE MG 1 66 LEU HG 0.000 . 6.000 3.407 1.907 4.615 . 0 0 "[ . 1 . 2]" 1
298 1 22 ILE H 1 22 ILE HB 0.000 . 3.000 2.563 2.491 2.687 . 0 0 "[ . 1 . 2]" 1
299 1 22 ILE H 1 22 ILE MD 0.000 . 4.000 3.407 2.862 3.793 . 0 0 "[ . 1 . 2]" 1
300 1 22 ILE H 1 22 ILE HG12 0.000 . 4.000 3.035 2.078 3.687 . 0 0 "[ . 1 . 2]" 1
301 1 22 ILE H 1 22 ILE MG 0.000 . 4.000 3.806 3.796 3.818 . 0 0 "[ . 1 . 2]" 1
302 1 22 ILE H 1 23 THR H 0.000 . 5.000 4.531 4.463 4.584 . 0 0 "[ . 1 . 2]" 1
303 1 22 ILE H 1 24 GLU H 0.000 . 6.000 5.691 5.579 5.805 . 0 0 "[ . 1 . 2]" 1
304 1 22 ILE H 1 31 GLN H 0.000 . 6.000 5.356 5.137 5.607 . 0 0 "[ . 1 . 2]" 1
305 1 22 ILE H 1 31 GLN HA 0.000 . 5.000 3.886 3.689 4.072 . 0 0 "[ . 1 . 2]" 1
306 1 22 ILE H 1 63 PHE HA 0.000 . 6.000 5.350 5.056 5.741 . 0 0 "[ . 1 . 2]" 1
307 1 22 ILE HA 1 22 ILE MG 0.000 . 3.000 2.279 2.121 2.422 . 0 0 "[ . 1 . 2]" 1
308 1 22 ILE HA 1 23 THR H 0.000 . 3.000 2.206 2.195 2.242 . 0 0 "[ . 1 . 2]" 1
309 1 22 ILE HA 1 23 THR HA 0.000 . 5.000 4.453 4.446 4.460 . 0 0 "[ . 1 . 2]" 1
310 1 22 ILE HA 1 24 GLU H 0.000 . 4.000 3.572 3.523 3.685 . 0 0 "[ . 1 . 2]" 1
311 1 22 ILE HA 1 63 PHE H 0.000 . 6.000 5.163 4.852 5.531 . 0 0 "[ . 1 . 2]" 1
312 1 22 ILE HA 1 63 PHE HA 0.000 . 3.000 2.563 2.154 3.003 0.003 18 0 "[ . 1 . 2]" 1
313 1 22 ILE HA 1 63 PHE HB2 0.000 . 3.000 2.291 1.862 2.716 . 0 0 "[ . 1 . 2]" 1
314 1 22 ILE HA 1 63 PHE HB3 0.000 . 5.000 2.919 2.694 3.194 . 0 0 "[ . 1 . 2]" 1
315 1 22 ILE HA 1 64 ARG H 0.000 . 4.000 3.240 2.790 3.985 . 0 0 "[ . 1 . 2]" 1
316 1 22 ILE HB 1 22 ILE HG13 0.000 . 3.000 2.497 2.458 2.539 . 0 0 "[ . 1 . 2]" 1
317 1 22 ILE HB 1 23 THR H 0.000 . 6.000 4.140 3.985 4.233 . 0 0 "[ . 1 . 2]" 1
318 1 22 ILE HB 1 28 GLU HA 0.000 . 4.000 2.100 1.869 2.548 . 0 0 "[ . 1 . 2]" 1
319 1 22 ILE HB 1 28 GLU HB2 0.000 . 6.000 4.584 4.257 5.451 . 0 0 "[ . 1 . 2]" 1
320 1 22 ILE HB 1 30 PHE H 0.000 . 3.000 2.803 2.366 3.007 0.007 13 0 "[ . 1 . 2]" 1
321 1 22 ILE HB 1 30 PHE HB2 0.000 . 5.000 3.586 3.318 3.889 . 0 0 "[ . 1 . 2]" 1
322 1 22 ILE MD 1 27 PHE HB2 0.000 . 5.000 2.831 1.845 4.006 . 0 0 "[ . 1 . 2]" 1
323 1 22 ILE MD 1 27 PHE HB3 0.000 . 5.000 2.760 1.809 3.894 . 0 0 "[ . 1 . 2]" 1
324 1 22 ILE MD 1 27 PHE QD 0.000 . 5.000 4.097 3.291 4.984 . 0 0 "[ . 1 . 2]" 1
325 1 22 ILE MD 1 30 PHE HB2 0.000 . 4.000 3.297 2.453 4.009 0.009 10 0 "[ . 1 . 2]" 1
326 1 22 ILE MD 1 30 PHE HB3 0.000 . 5.000 4.289 3.327 5.003 0.003 14 0 "[ . 1 . 2]" 1
327 1 22 ILE MD 1 32 ALA MB 0.000 . 5.000 2.990 2.348 3.400 . 0 0 "[ . 1 . 2]" 1
328 1 22 ILE MD 1 45 LEU QD 0.000 . 5.000 3.435 2.737 4.282 . 0 0 "[ . 1 . 2]" 1
329 1 22 ILE MD 1 47 LEU QD 0.000 . 5.000 2.176 1.663 3.299 . 0 0 "[ . 1 . 2]" 1
330 1 22 ILE MD 1 63 PHE HA 0.000 . 6.000 4.623 3.832 5.237 . 0 0 "[ . 1 . 2]" 1
331 1 22 ILE MD 1 63 PHE HB2 0.000 . 5.000 3.606 2.323 4.399 . 0 0 "[ . 1 . 2]" 1
332 1 22 ILE MD 1 63 PHE HB3 0.000 . 4.000 3.366 2.561 4.006 0.006 16 0 "[ . 1 . 2]" 1
333 1 22 ILE MD 1 63 PHE QD 0.000 . 6.000 4.511 3.563 5.172 . 0 0 "[ . 1 . 2]" 1
334 1 22 ILE MD 1 64 ARG H 0.000 . 6.000 5.361 4.243 6.007 0.007 17 0 "[ . 1 . 2]" 1
335 1 22 ILE HG13 1 23 THR H 0.000 . 6.000 5.259 5.021 5.579 . 0 0 "[ . 1 . 2]" 1
336 1 22 ILE HG13 1 45 LEU QD 0.000 . 6.000 4.466 3.598 5.570 . 0 0 "[ . 1 . 2]" 1
337 1 22 ILE MG 1 23 THR H 0.000 . 3.000 2.507 2.313 2.699 . 0 0 "[ . 1 . 2]" 1
338 1 22 ILE MG 1 23 THR HA 0.000 . 5.000 3.941 3.663 4.184 . 0 0 "[ . 1 . 2]" 1
339 1 22 ILE MG 1 23 THR MG 0.000 . 5.000 4.278 4.187 4.434 . 0 0 "[ . 1 . 2]" 1
340 1 22 ILE MG 1 24 GLU H 0.000 . 3.000 2.025 1.847 2.360 . 0 0 "[ . 1 . 2]" 1
341 1 22 ILE MG 1 24 GLU HA 0.000 . 5.000 4.104 3.889 4.385 . 0 0 "[ . 1 . 2]" 1
342 1 22 ILE MG 1 26 ALA MB 0.000 . 6.000 5.563 5.335 5.739 . 0 0 "[ . 1 . 2]" 1
343 1 22 ILE MG 1 27 PHE HB2 0.000 . 4.000 2.614 1.998 3.343 . 0 0 "[ . 1 . 2]" 1
344 1 22 ILE MG 1 27 PHE HB3 0.000 . 5.000 3.401 2.809 4.117 . 0 0 "[ . 1 . 2]" 1
345 1 22 ILE MG 1 28 GLU H 0.000 . 4.000 3.235 2.778 3.552 . 0 0 "[ . 1 . 2]" 1
346 1 22 ILE MG 1 28 GLU HA 0.000 . 3.000 2.312 2.017 2.714 . 0 0 "[ . 1 . 2]" 1
347 1 22 ILE MG 1 28 GLU HG2 0.000 . 6.000 4.114 2.763 4.757 . 0 0 "[ . 1 . 2]" 1
348 1 22 ILE MG 1 29 GLY H 0.000 . 5.000 3.955 3.667 4.361 . 0 0 "[ . 1 . 2]" 1
349 1 22 ILE MG 1 30 PHE H 0.000 . 5.000 4.265 3.888 4.433 . 0 0 "[ . 1 . 2]" 1
350 1 22 ILE MG 1 45 LEU QD 0.000 . 6.000 4.707 4.317 5.092 . 0 0 "[ . 1 . 2]" 1
351 1 22 ILE MG 1 62 GLU HA 0.000 . 6.000 4.943 4.336 5.543 . 0 0 "[ . 1 . 2]" 1
352 1 22 ILE MG 1 62 GLU QB 0.000 . 5.000 3.830 3.468 4.520 . 0 0 "[ . 1 . 2]" 1
353 1 22 ILE MG 1 63 PHE HA 0.000 . 4.000 3.283 2.779 3.924 . 0 0 "[ . 1 . 2]" 1
354 1 22 ILE MG 1 63 PHE HB2 0.000 . 5.000 3.640 3.188 4.199 . 0 0 "[ . 1 . 2]" 1
355 1 22 ILE MG 1 63 PHE HB3 0.000 . 5.000 3.074 2.414 3.557 . 0 0 "[ . 1 . 2]" 1
356 1 22 ILE MG 1 64 ARG H 0.000 . 6.000 4.816 4.477 5.410 . 0 0 "[ . 1 . 2]" 1
357 1 23 THR H 1 24 GLU H 0.000 . 3.000 2.084 1.965 2.148 . 0 0 "[ . 1 . 2]" 1
358 1 23 THR H 1 24 GLU HB2 0.000 . 6.000 4.325 4.058 4.628 . 0 0 "[ . 1 . 2]" 1
359 1 23 THR H 1 29 GLY H 0.000 . 6.000 5.085 4.647 5.415 . 0 0 "[ . 1 . 2]" 1
360 1 23 THR H 1 62 GLU HA 0.000 . 6.000 5.279 4.993 5.622 . 0 0 "[ . 1 . 2]" 1
361 1 23 THR H 1 63 PHE H 0.000 . 5.000 4.869 4.669 4.997 . 0 0 "[ . 1 . 2]" 1
362 1 23 THR H 1 63 PHE HA 0.000 . 3.000 2.099 1.872 2.323 . 0 0 "[ . 1 . 2]" 1
363 1 23 THR H 1 63 PHE HB2 0.000 . 4.000 3.664 3.341 4.008 0.008 16 0 "[ . 1 . 2]" 1
364 1 23 THR H 1 63 PHE QB 0.000 . 5.000 3.357 3.110 3.682 . 0 0 "[ . 1 . 2]" 1
365 1 23 THR H 1 63 PHE HB3 0.000 . 5.000 3.913 3.414 4.291 . 0 0 "[ . 1 . 2]" 1
366 1 23 THR H 1 64 ARG H 0.000 . 4.000 3.464 3.033 3.987 . 0 0 "[ . 1 . 2]" 1
367 1 23 THR HA 1 23 THR HB 0.000 . 2.700 2.450 2.429 2.476 . 0 0 "[ . 1 . 2]" 1
368 1 23 THR HA 1 24 GLU H 0.000 . 4.000 3.343 3.247 3.427 . 0 0 "[ . 1 . 2]" 1
369 1 23 THR HA 1 24 GLU HA 0.000 . 5.000 4.497 4.474 4.517 . 0 0 "[ . 1 . 2]" 1
370 1 23 THR HA 1 28 GLU HA 0.000 . 5.000 3.762 3.449 4.074 . 0 0 "[ . 1 . 2]" 1
371 1 23 THR HA 1 29 GLY H 0.000 . 4.000 3.876 3.430 4.006 0.006 4 0 "[ . 1 . 2]" 1
372 1 23 THR HB 1 24 GLU HA 0.000 . 6.000 4.924 4.831 4.992 . 0 0 "[ . 1 . 2]" 1
373 1 23 THR MG 1 24 GLU H 0.000 . 6.000 4.057 3.958 4.144 . 0 0 "[ . 1 . 2]" 1
374 1 23 THR MG 1 63 PHE HA 0.000 . 4.000 3.286 2.555 3.822 . 0 0 "[ . 1 . 2]" 1
375 1 23 THR MG 1 64 ARG H 0.000 . 5.000 2.778 2.181 3.119 . 0 0 "[ . 1 . 2]" 1
376 1 23 THR MG 1 64 ARG HB2 0.000 . 4.000 2.578 2.012 3.969 . 0 0 "[ . 1 . 2]" 1
377 1 23 THR MG 1 64 ARG HB3 0.000 . 4.000 3.177 2.057 3.821 . 0 0 "[ . 1 . 2]" 1
378 1 23 THR MG 1 64 ARG QD 0.000 . 4.000 2.627 1.837 3.818 . 0 0 "[ . 1 . 2]" 1
379 1 23 THR MG 1 64 ARG QG 0.000 . 5.000 2.838 1.913 4.404 . 0 0 "[ . 1 . 2]" 1
380 1 24 GLU H 1 24 GLU HB2 0.000 . 4.000 2.854 2.701 3.283 . 0 0 "[ . 1 . 2]" 1
381 1 24 GLU H 1 24 GLU HB3 0.000 . 4.000 3.655 2.789 3.898 . 0 0 "[ . 1 . 2]" 1
382 1 24 GLU H 1 24 GLU HG2 0.000 . 5.000 3.970 2.982 4.993 . 0 0 "[ . 1 . 2]" 1
383 1 24 GLU H 1 24 GLU HG3 0.000 . 5.000 3.612 2.887 4.804 . 0 0 "[ . 1 . 2]" 1
384 1 24 GLU H 1 25 GLY H 0.000 . 5.000 4.450 4.418 4.485 . 0 0 "[ . 1 . 2]" 1
385 1 24 GLU H 1 28 GLU HA 0.000 . 4.000 3.830 3.625 4.003 0.003 1 0 "[ . 1 . 2]" 1
386 1 24 GLU H 1 62 GLU HA 0.000 . 5.000 4.673 4.363 4.981 . 0 0 "[ . 1 . 2]" 1
387 1 24 GLU H 1 62 GLU QB 0.000 . 5.000 4.595 4.197 4.835 . 0 0 "[ . 1 . 2]" 1
388 1 24 GLU H 1 63 PHE HA 0.000 . 5.000 3.522 3.165 3.929 . 0 0 "[ . 1 . 2]" 1
389 1 24 GLU HA 1 24 GLU HB2 0.000 . 3.000 2.924 2.471 3.035 0.035 5 0 "[ . 1 . 2]" 1
390 1 24 GLU HA 1 25 GLY H 0.000 . 4.000 2.358 2.320 2.386 . 0 0 "[ . 1 . 2]" 1
391 1 24 GLU HA 1 25 GLY HA2 0.000 . 5.000 4.627 4.591 4.653 . 0 0 "[ . 1 . 2]" 1
392 1 24 GLU HA 1 25 GLY HA3 0.000 . 5.000 4.536 4.514 4.551 . 0 0 "[ . 1 . 2]" 1
393 1 24 GLU HA 1 28 GLU HB2 0.000 . 6.000 3.829 3.019 5.487 . 0 0 "[ . 1 . 2]" 1
394 1 24 GLU HA 1 62 GLU HA 0.000 . 6.000 5.598 5.069 5.955 . 0 0 "[ . 1 . 2]" 1
395 1 24 GLU HB2 1 25 GLY H 0.000 . 4.000 3.831 3.710 3.994 . 0 0 "[ . 1 . 2]" 1
396 1 24 GLU HB2 1 62 GLU QB 0.000 . 5.000 3.624 2.576 5.305 0.305 8 0 "[ . 1 . 2]" 1
397 1 24 GLU HB3 1 25 GLY H 0.000 . 4.000 2.918 2.636 3.821 . 0 0 "[ . 1 . 2]" 1
398 1 24 GLU HB3 1 62 GLU HA 0.000 . 5.000 3.670 2.678 4.150 . 0 0 "[ . 1 . 2]" 1
399 1 24 GLU HG2 1 25 GLY H 0.000 . 5.000 4.077 2.048 4.988 . 0 0 "[ . 1 . 2]" 1
400 1 24 GLU HG2 1 62 GLU HA 0.000 . 6.000 4.487 2.955 5.283 . 0 0 "[ . 1 . 2]" 1
401 1 25 GLY HA3 1 26 ALA H 0.000 . 3.000 2.709 2.478 2.827 . 0 0 "[ . 1 . 2]" 1
402 1 25 GLY HA3 1 26 ALA HA 0.000 . 5.000 4.697 4.565 4.758 . 0 0 "[ . 1 . 2]" 1
403 1 25 GLY HA3 1 26 ALA MB 0.000 . 5.000 4.432 4.315 4.507 . 0 0 "[ . 1 . 2]" 1
404 1 26 ALA H 1 26 ALA MB 0.000 . 3.000 2.168 2.049 2.306 . 0 0 "[ . 1 . 2]" 1
405 1 26 ALA HA 1 27 PHE H 0.000 . 4.000 3.421 3.322 3.502 . 0 0 "[ . 1 . 2]" 1
406 1 26 ALA HA 1 28 GLU H 0.000 . 4.000 3.351 3.263 3.513 . 0 0 "[ . 1 . 2]" 1
407 1 26 ALA MB 1 27 PHE H 0.000 . 5.000 3.048 2.892 3.274 . 0 0 "[ . 1 . 2]" 1
408 1 26 ALA MB 1 27 PHE QD 0.000 . 5.000 3.712 3.526 3.905 . 0 0 "[ . 1 . 2]" 1
409 1 26 ALA MB 1 27 PHE QE 0.000 . 5.000 4.002 3.718 4.226 . 0 0 "[ . 1 . 2]" 1
410 1 26 ALA MB 1 27 PHE HZ 0.000 . 6.000 5.010 4.749 5.245 . 0 0 "[ . 1 . 2]" 1
411 1 26 ALA MB 1 28 GLU H 0.000 . 6.000 4.212 4.181 4.288 . 0 0 "[ . 1 . 2]" 1
412 1 27 PHE H 1 27 PHE HB2 0.000 . 2.500 2.401 2.351 2.473 . 0 0 "[ . 1 . 2]" 1
413 1 27 PHE H 1 28 GLU H 0.000 . 3.000 2.625 2.519 2.671 . 0 0 "[ . 1 . 2]" 1
414 1 27 PHE HA 1 27 PHE HB3 0.000 . 2.700 2.523 2.479 2.556 . 0 0 "[ . 1 . 2]" 1
415 1 27 PHE HA 1 28 GLU H 0.000 . 5.000 3.192 3.136 3.266 . 0 0 "[ . 1 . 2]" 1
416 1 27 PHE HA 1 30 PHE QE 0.000 . 5.000 2.710 1.972 3.430 . 0 0 "[ . 1 . 2]" 1
417 1 27 PHE HB2 1 27 PHE QD 0.000 . 3.000 2.370 2.332 2.396 . 0 0 "[ . 1 . 2]" 1
418 1 27 PHE HB2 1 47 LEU QD 0.000 . 6.000 2.950 2.483 3.402 . 0 0 "[ . 1 . 2]" 1
419 1 27 PHE HB3 1 27 PHE QD 0.000 . 3.000 2.466 2.431 2.527 . 0 0 "[ . 1 . 2]" 1
420 1 27 PHE HB3 1 30 PHE HB2 0.000 . 5.000 2.876 2.633 3.045 . 0 0 "[ . 1 . 2]" 1
421 1 27 PHE HB3 1 47 LEU QD 0.000 . 5.000 2.288 1.785 2.919 . 0 0 "[ . 1 . 2]" 1
422 1 27 PHE QD 1 47 LEU QD 0.000 . 5.000 2.408 2.011 2.810 . 0 0 "[ . 1 . 2]" 1
423 1 27 PHE QE 1 47 LEU QD 0.000 . 5.000 3.048 2.618 3.590 . 0 0 "[ . 1 . 2]" 1
424 1 27 PHE QE 1 49 LEU QD 0.000 . 5.000 2.428 1.848 2.810 . 0 0 "[ . 1 . 2]" 1
425 1 27 PHE QE 1 54 ILE MD 0.000 . 5.000 2.435 1.859 2.974 . 0 0 "[ . 1 . 2]" 1
426 1 27 PHE HZ 1 47 LEU QD 0.000 . 6.000 3.895 3.582 4.434 . 0 0 "[ . 1 . 2]" 1
427 1 27 PHE HZ 1 49 LEU QD 0.000 . 5.000 4.151 3.653 4.433 . 0 0 "[ . 1 . 2]" 1
428 1 27 PHE HZ 1 54 ILE MD 0.000 . 5.000 3.002 2.370 3.703 . 0 0 "[ . 1 . 2]" 1
429 1 28 GLU H 1 28 GLU HA 0.000 . 3.000 2.847 2.816 2.872 . 0 0 "[ . 1 . 2]" 1
430 1 28 GLU H 1 28 GLU HB2 0.000 . 4.000 2.537 2.418 3.607 . 0 0 "[ . 1 . 2]" 1
431 1 28 GLU H 1 28 GLU HB3 0.000 . 4.000 2.859 2.403 3.618 . 0 0 "[ . 1 . 2]" 1
432 1 28 GLU H 1 30 PHE H 0.000 . 6.000 4.760 4.696 4.881 . 0 0 "[ . 1 . 2]" 1
433 1 28 GLU HA 1 28 GLU HB2 0.000 . 3.000 2.631 2.408 3.030 0.030 11 0 "[ . 1 . 2]" 1
434 1 28 GLU HA 1 28 GLU HB3 0.000 . 3.000 2.876 2.502 3.030 0.030 3 0 "[ . 1 . 2]" 1
435 1 28 GLU HA 1 28 GLU HG3 0.000 . 4.000 2.672 2.441 3.690 . 0 0 "[ . 1 . 2]" 1
436 1 28 GLU HA 1 29 GLY HA2 0.000 . 5.000 4.531 4.509 4.551 . 0 0 "[ . 1 . 2]" 1
437 1 28 GLU HA 1 29 GLY HA3 0.000 . 5.000 4.494 4.477 4.508 . 0 0 "[ . 1 . 2]" 1
438 1 28 GLU HA 1 30 PHE H 0.000 . 4.000 3.259 3.220 3.318 . 0 0 "[ . 1 . 2]" 1
439 1 29 GLY H 1 29 GLY HA2 0.000 . 3.000 2.405 2.389 2.428 . 0 0 "[ . 1 . 2]" 1
440 1 29 GLY HA2 1 30 PHE H 0.000 . 4.000 3.316 3.289 3.381 . 0 0 "[ . 1 . 2]" 1
441 1 29 GLY HA3 1 30 PHE H 0.000 . 4.000 3.282 3.201 3.312 . 0 0 "[ . 1 . 2]" 1
442 1 30 PHE H 1 30 PHE HB2 0.000 . 2.500 2.440 2.333 2.525 0.025 4 0 "[ . 1 . 2]" 1
443 1 30 PHE H 1 30 PHE HB3 0.000 . 4.000 3.663 3.607 3.702 . 0 0 "[ . 1 . 2]" 1
444 1 30 PHE H 1 31 GLN H 0.000 . 6.000 4.543 4.415 4.595 . 0 0 "[ . 1 . 2]" 1
445 1 30 PHE HA 1 30 PHE HB3 0.000 . 2.700 2.530 2.463 2.604 . 0 0 "[ . 1 . 2]" 1
446 1 30 PHE HA 1 31 GLN H 0.000 . 3.000 2.249 2.193 2.308 . 0 0 "[ . 1 . 2]" 1
447 1 30 PHE HA 1 31 GLN HA 0.000 . 5.000 4.428 4.414 4.454 . 0 0 "[ . 1 . 2]" 1
448 1 30 PHE HA 1 31 GLN HB2 0.000 . 5.000 4.638 4.594 4.685 . 0 0 "[ . 1 . 2]" 1
449 1 30 PHE HB2 1 31 GLN H 0.000 . 5.000 4.121 3.883 4.418 . 0 0 "[ . 1 . 2]" 1
450 1 30 PHE HB2 1 47 LEU QD 0.000 . 6.000 3.472 2.912 3.983 . 0 0 "[ . 1 . 2]" 1
451 1 30 PHE HB3 1 31 GLN H 0.000 . 4.000 3.096 2.845 3.493 . 0 0 "[ . 1 . 2]" 1
452 1 30 PHE HB3 1 47 LEU QD 0.000 . 6.000 3.760 3.018 4.570 . 0 0 "[ . 1 . 2]" 1
453 1 30 PHE QD 1 47 LEU QD 0.000 . 5.000 3.895 3.010 4.646 . 0 0 "[ . 1 . 2]" 1
454 1 30 PHE QD 1 49 LEU QD 0.000 . 6.000 3.304 2.827 3.865 . 0 0 "[ . 1 . 2]" 1
455 1 30 PHE QD 1 54 ILE MD 0.000 . 6.000 5.875 5.462 6.006 0.006 13 0 "[ . 1 . 2]" 1
456 1 30 PHE QE 1 47 LEU QD 0.000 . 6.000 5.133 4.739 5.771 . 0 0 "[ . 1 . 2]" 1
457 1 30 PHE QE 1 49 LEU QD 0.000 . 6.000 3.392 2.939 4.021 . 0 0 "[ . 1 . 2]" 1
458 1 30 PHE HZ 1 49 LEU QD 0.000 . 5.000 4.263 3.402 4.888 . 0 0 "[ . 1 . 2]" 1
459 1 31 GLN H 1 31 GLN HB2 0.000 . 2.500 2.454 2.432 2.489 . 0 0 "[ . 1 . 2]" 1
460 1 31 GLN H 1 31 GLN HB3 0.000 . 4.000 3.658 3.622 3.695 . 0 0 "[ . 1 . 2]" 1
461 1 31 GLN H 1 31 GLN HG2 0.000 . 5.000 3.705 3.485 3.873 . 0 0 "[ . 1 . 2]" 1
462 1 31 GLN H 1 31 GLN HG3 0.000 . 5.000 2.500 2.275 2.719 . 0 0 "[ . 1 . 2]" 1
463 1 31 GLN HA 1 31 GLN HB3 0.000 . 2.700 2.498 2.475 2.509 . 0 0 "[ . 1 . 2]" 1
464 1 31 GLN HA 1 31 GLN HG2 0.000 . 3.000 2.474 2.445 2.537 . 0 0 "[ . 1 . 2]" 1
465 1 31 GLN HA 1 31 GLN HG3 0.000 . 4.000 2.988 2.961 3.018 . 0 0 "[ . 1 . 2]" 1
466 1 31 GLN HA 1 32 ALA H 0.000 . 5.000 2.261 2.193 2.346 . 0 0 "[ . 1 . 2]" 1
467 1 31 GLN HB2 1 31 GLN HG3 0.000 . 3.000 2.478 2.462 2.496 . 0 0 "[ . 1 . 2]" 1
468 1 31 GLN HB2 1 32 ALA H 0.000 . 5.000 4.070 3.876 4.311 . 0 0 "[ . 1 . 2]" 1
469 1 31 GLN HB3 1 31 GLN HG2 0.000 . 3.000 2.462 2.443 2.478 . 0 0 "[ . 1 . 2]" 1
470 1 31 GLN HB3 1 32 ALA H 0.000 . 4.000 3.057 2.743 3.470 . 0 0 "[ . 1 . 2]" 1
471 1 31 GLN HG2 1 32 ALA H 0.000 . 5.000 4.249 4.102 4.418 . 0 0 "[ . 1 . 2]" 1
472 1 31 GLN HG2 1 66 LEU MD1 0.000 . 6.000 3.914 2.718 5.004 . 0 0 "[ . 1 . 2]" 1
473 1 31 GLN HG2 1 66 LEU MD2 0.000 . 6.000 3.209 2.450 4.855 . 0 0 "[ . 1 . 2]" 1
474 1 31 GLN HG3 1 32 ALA H 0.000 . 6.000 5.010 4.926 5.096 . 0 0 "[ . 1 . 2]" 1
475 1 32 ALA H 1 33 ILE H 0.000 . 5.000 4.466 4.430 4.558 . 0 0 "[ . 1 . 2]" 1
476 1 32 ALA H 1 45 LEU QD 0.000 . 6.000 4.448 4.097 4.777 . 0 0 "[ . 1 . 2]" 1
477 1 32 ALA HA 1 33 ILE H 0.000 . 3.000 2.415 2.336 2.465 . 0 0 "[ . 1 . 2]" 1
478 1 32 ALA HA 1 33 ILE HB 0.000 . 5.000 4.758 4.715 4.819 . 0 0 "[ . 1 . 2]" 1
479 1 32 ALA HA 1 46 LEU HB2 0.000 . 6.000 5.684 5.465 5.983 . 0 0 "[ . 1 . 2]" 1
480 1 32 ALA HA 1 46 LEU HB3 0.000 . 6.000 4.147 3.934 4.494 . 0 0 "[ . 1 . 2]" 1
481 1 32 ALA HA 1 47 LEU HA 0.000 . 4.000 3.242 2.889 3.616 . 0 0 "[ . 1 . 2]" 1
482 1 32 ALA HA 1 47 LEU QD 0.000 . 5.000 4.114 3.231 4.618 . 0 0 "[ . 1 . 2]" 1
483 1 32 ALA HA 1 48 ASN H 0.000 . 4.000 3.722 3.396 3.979 . 0 0 "[ . 1 . 2]" 1
484 1 32 ALA MB 1 33 ILE H 0.000 . 3.000 2.524 2.378 2.805 . 0 0 "[ . 1 . 2]" 1
485 1 32 ALA MB 1 33 ILE HA 0.000 . 5.000 4.062 4.018 4.098 . 0 0 "[ . 1 . 2]" 1
486 1 32 ALA MB 1 33 ILE HB 0.000 . 5.000 4.799 4.679 4.980 . 0 0 "[ . 1 . 2]" 1
487 1 32 ALA MB 1 33 ILE MG 0.000 . 6.000 5.111 5.062 5.161 . 0 0 "[ . 1 . 2]" 1
488 1 32 ALA MB 1 35 THR MG 0.000 . 6.000 4.477 4.242 4.977 . 0 0 "[ . 1 . 2]" 1
489 1 32 ALA MB 1 45 LEU HA 0.000 . 4.000 3.453 3.156 3.920 . 0 0 "[ . 1 . 2]" 1
490 1 32 ALA MB 1 45 LEU HB2 0.000 . 3.000 3.101 2.824 3.289 0.289 5 0 "[ . 1 . 2]" 1
491 1 32 ALA MB 1 45 LEU HB3 0.000 . 5.000 1.846 1.727 1.986 . 0 0 "[ . 1 . 2]" 1
492 1 32 ALA MB 1 45 LEU QD 0.000 . 5.000 2.529 1.987 2.789 . 0 0 "[ . 1 . 2]" 1
493 1 32 ALA MB 1 47 LEU HA 0.000 . 3.000 2.635 2.228 3.004 0.004 13 0 "[ . 1 . 2]" 1
494 1 32 ALA MB 1 47 LEU QD 0.000 . 4.000 2.391 1.692 2.975 . 0 0 "[ . 1 . 2]" 1
495 1 32 ALA MB 1 48 ASN H 0.000 . 5.000 4.081 3.657 4.407 . 0 0 "[ . 1 . 2]" 1
496 1 32 ALA MB 1 48 ASN QB 0.000 . 6.000 5.408 5.065 5.713 . 0 0 "[ . 1 . 2]" 1
497 1 33 ILE H 1 33 ILE HB 0.000 . 3.000 2.674 2.612 2.746 . 0 0 "[ . 1 . 2]" 1
498 1 33 ILE H 1 33 ILE HG13 0.000 . 4.000 4.086 3.984 4.175 0.175 3 0 "[ . 1 . 2]" 1
499 1 33 ILE H 1 35 THR H 0.000 . 6.000 5.256 5.040 5.585 . 0 0 "[ . 1 . 2]" 1
500 1 33 ILE H 1 46 LEU H 0.000 . 3.000 2.332 2.054 2.643 . 0 0 "[ . 1 . 2]" 1
501 1 33 ILE H 1 46 LEU HB2 0.000 . 5.000 4.068 3.833 4.547 . 0 0 "[ . 1 . 2]" 1
502 1 33 ILE H 1 46 LEU HB3 0.000 . 3.000 2.668 2.366 2.979 . 0 0 "[ . 1 . 2]" 1
503 1 33 ILE H 1 46 LEU QD 0.000 . 5.000 3.795 3.299 4.350 . 0 0 "[ . 1 . 2]" 1
504 1 33 ILE H 1 47 LEU HA 0.000 . 5.000 4.766 4.379 5.007 0.007 14 0 "[ . 1 . 2]" 1
505 1 33 ILE H 1 47 LEU QD 0.000 . 5.000 4.695 4.336 4.887 . 0 0 "[ . 1 . 2]" 1
506 1 33 ILE HA 1 33 ILE MD 0.000 . 3.000 1.952 1.837 2.094 . 0 0 "[ . 1 . 2]" 1
507 1 33 ILE HA 1 33 ILE HG13 0.000 . 4.000 3.706 3.671 3.778 . 0 0 "[ . 1 . 2]" 1
508 1 33 ILE HA 1 34 PHE H 0.000 . 3.000 2.238 2.207 2.273 . 0 0 "[ . 1 . 2]" 1
509 1 33 ILE HA 1 34 PHE HA 0.000 . 5.000 4.407 4.396 4.426 . 0 0 "[ . 1 . 2]" 1
510 1 33 ILE HA 1 34 PHE HB2 0.000 . 5.000 4.534 4.483 4.581 . 0 0 "[ . 1 . 2]" 1
511 1 33 ILE HA 1 34 PHE HB3 0.000 . 6.000 5.772 5.745 5.791 . 0 0 "[ . 1 . 2]" 1
512 1 33 ILE HB 1 33 ILE HG13 0.000 . 3.000 2.525 2.470 2.548 . 0 0 "[ . 1 . 2]" 1
513 1 33 ILE HB 1 34 PHE H 0.000 . 5.000 4.011 3.941 4.129 . 0 0 "[ . 1 . 2]" 1
514 1 33 ILE HB 1 35 THR MG 0.000 . 4.000 3.572 3.247 3.792 . 0 0 "[ . 1 . 2]" 1
515 1 33 ILE MD 1 34 PHE H 0.000 . 5.000 3.568 3.436 3.789 . 0 0 "[ . 1 . 2]" 1
516 1 33 ILE MD 1 46 LEU HB3 0.000 . 6.000 5.109 4.703 5.422 . 0 0 "[ . 1 . 2]" 1
517 1 33 ILE HG12 1 34 PHE H 0.000 . 6.000 5.202 5.150 5.261 . 0 0 "[ . 1 . 2]" 1
518 1 33 ILE HG13 1 34 PHE H 0.000 . 6.000 5.296 5.150 5.465 . 0 0 "[ . 1 . 2]" 1
519 1 33 ILE MG 1 34 PHE H 0.000 . 4.000 2.253 2.041 2.486 . 0 0 "[ . 1 . 2]" 1
520 1 33 ILE MG 1 35 THR H 0.000 . 6.000 4.644 4.449 4.969 . 0 0 "[ . 1 . 2]" 1
521 1 33 ILE MG 1 35 THR HA 0.000 . 5.000 4.168 3.976 4.364 . 0 0 "[ . 1 . 2]" 1
522 1 33 ILE MG 1 35 THR MG 0.000 . 5.000 3.987 3.579 4.255 . 0 0 "[ . 1 . 2]" 1
523 1 33 ILE MG 1 46 LEU H 0.000 . 5.000 4.774 4.351 4.996 . 0 0 "[ . 1 . 2]" 1
524 1 34 PHE H 1 34 PHE HA 0.000 . 3.000 2.848 2.838 2.876 . 0 0 "[ . 1 . 2]" 1
525 1 34 PHE H 1 34 PHE HB2 0.000 . 2.500 2.318 2.289 2.359 . 0 0 "[ . 1 . 2]" 1
526 1 34 PHE H 1 35 THR H 0.000 . 5.000 4.389 4.333 4.490 . 0 0 "[ . 1 . 2]" 1
527 1 34 PHE H 1 45 LEU QD 0.000 . 6.000 4.343 3.143 4.791 . 0 0 "[ . 1 . 2]" 1
528 1 34 PHE HA 1 34 PHE HB3 0.000 . 2.700 2.602 2.575 2.608 . 0 0 "[ . 1 . 2]" 1
529 1 34 PHE HA 1 35 THR H 0.000 . 3.000 2.218 2.191 2.238 . 0 0 "[ . 1 . 2]" 1
530 1 34 PHE HA 1 35 THR HA 0.000 . 5.000 4.497 4.468 4.518 . 0 0 "[ . 1 . 2]" 1
531 1 34 PHE HA 1 35 THR MG 0.000 . 5.000 3.751 3.611 3.877 . 0 0 "[ . 1 . 2]" 1
532 1 34 PHE HA 1 36 GLU H 0.000 . 4.000 3.650 3.505 3.788 . 0 0 "[ . 1 . 2]" 1
533 1 34 PHE HA 1 45 LEU HA 0.000 . 3.000 2.654 2.315 2.982 . 0 0 "[ . 1 . 2]" 1
534 1 34 PHE HA 1 45 LEU QD 0.000 . 4.000 3.015 1.918 3.325 . 0 0 "[ . 1 . 2]" 1
535 1 34 PHE HA 1 46 LEU H 0.000 . 5.000 4.185 3.882 4.426 . 0 0 "[ . 1 . 2]" 1
536 1 34 PHE HB2 1 35 THR H 0.000 . 5.000 4.527 4.459 4.554 . 0 0 "[ . 1 . 2]" 1
537 1 34 PHE HB2 1 45 LEU QD 0.000 . 6.000 4.862 3.959 5.223 . 0 0 "[ . 1 . 2]" 1
538 1 34 PHE HB3 1 35 THR H 0.000 . 4.000 3.800 3.630 3.890 . 0 0 "[ . 1 . 2]" 1
539 1 34 PHE HB3 1 45 LEU QD 0.000 . 5.000 4.437 3.738 4.706 . 0 0 "[ . 1 . 2]" 1
540 1 34 PHE QD 1 43 SER HB2 0.000 . 5.000 3.750 2.795 4.113 . 0 0 "[ . 1 . 2]" 1
541 1 34 PHE QD 1 43 SER HB3 0.000 . 5.000 2.554 2.189 4.329 . 0 0 "[ . 1 . 2]" 1
542 1 34 PHE QD 1 45 LEU QD 0.000 . 5.000 2.534 1.871 3.190 . 0 0 "[ . 1 . 2]" 1
543 1 34 PHE QE 1 37 PRO QG 0.000 . 5.000 4.665 4.177 5.006 0.006 12 0 "[ . 1 . 2]" 1
544 1 34 PHE QE 1 43 SER QB 0.000 . 5.000 2.083 1.846 2.564 . 0 0 "[ . 1 . 2]" 1
545 1 34 PHE QE 1 45 LEU QD 0.000 . 5.000 2.487 1.753 3.107 . 0 0 "[ . 1 . 2]" 1
546 1 34 PHE QE 1 65 LYS HB2 0.000 . 5.000 3.607 2.903 4.376 . 0 0 "[ . 1 . 2]" 1
547 1 34 PHE QE 1 65 LYS HB3 0.000 . 6.000 4.705 2.590 5.831 . 0 0 "[ . 1 . 2]" 1
548 1 34 PHE HZ 1 37 PRO HB3 0.000 . 6.000 5.918 5.402 6.017 0.017 13 0 "[ . 1 . 2]" 1
549 1 35 THR H 1 35 THR HB 0.000 . 4.000 3.644 3.634 3.678 . 0 0 "[ . 1 . 2]" 1
550 1 35 THR H 1 35 THR MG 0.000 . 3.000 2.171 1.993 2.388 . 0 0 "[ . 1 . 2]" 1
551 1 35 THR H 1 36 GLU H 0.000 . 3.000 2.428 2.255 2.515 . 0 0 "[ . 1 . 2]" 1
552 1 35 THR H 1 45 LEU HA 0.000 . 3.000 2.580 2.229 2.970 . 0 0 "[ . 1 . 2]" 1
553 1 35 THR H 1 45 LEU QD 0.000 . 4.000 3.811 3.160 3.944 . 0 0 "[ . 1 . 2]" 1
554 1 35 THR H 1 46 LEU H 0.000 . 5.000 3.720 3.485 3.901 . 0 0 "[ . 1 . 2]" 1
555 1 35 THR HA 1 35 THR HB 0.000 . 3.000 2.429 2.386 2.446 . 0 0 "[ . 1 . 2]" 1
556 1 35 THR HA 1 35 THR MG 0.000 . 3.000 2.398 2.327 2.486 . 0 0 "[ . 1 . 2]" 1
557 1 35 THR HB 1 36 GLU H 0.000 . 5.000 3.893 3.735 3.994 . 0 0 "[ . 1 . 2]" 1
558 1 35 THR HB 1 55 LYS QE 0.000 . 5.000 4.321 2.344 4.906 . 0 0 "[ . 1 . 2]" 1
559 1 35 THR MG 1 36 GLU H 0.000 . 4.000 3.783 3.679 3.834 . 0 0 "[ . 1 . 2]" 1
560 1 35 THR MG 1 45 LEU HA 0.000 . 6.000 2.847 2.452 3.186 . 0 0 "[ . 1 . 2]" 1
561 1 35 THR MG 1 46 LEU H 0.000 . 5.000 2.560 2.253 2.839 . 0 0 "[ . 1 . 2]" 1
562 1 35 THR MG 1 46 LEU HB2 0.000 . 3.000 1.893 1.777 2.030 . 0 0 "[ . 1 . 2]" 1
563 1 35 THR MG 1 46 LEU HB3 0.000 . 3.000 2.901 2.546 3.009 0.009 3 0 "[ . 1 . 2]" 1
564 1 35 THR MG 1 46 LEU QD 0.000 . 4.000 2.628 2.300 2.926 . 0 0 "[ . 1 . 2]" 1
565 1 35 THR MG 1 46 LEU HG 0.000 . 5.000 4.068 3.592 4.470 . 0 0 "[ . 1 . 2]" 1
566 1 35 THR MG 1 55 LYS QD 0.000 . 4.000 3.045 2.366 3.993 . 0 0 "[ . 1 . 2]" 1
567 1 35 THR MG 1 55 LYS QE 0.000 . 4.000 3.382 2.013 3.833 . 0 0 "[ . 1 . 2]" 1
568 1 35 THR MG 1 55 LYS HG2 0.000 . 5.000 3.263 2.614 3.724 . 0 0 "[ . 1 . 2]" 1
569 1 35 THR MG 1 58 VAL QG 0.000 . 6.000 5.599 5.152 5.855 . 0 0 "[ . 1 . 2]" 1
570 1 36 GLU H 1 36 GLU HA 0.000 . 3.000 2.779 2.759 2.820 . 0 0 "[ . 1 . 2]" 1
571 1 36 GLU H 1 36 GLU HB2 0.000 . 4.000 3.398 3.206 4.051 0.051 12 0 "[ . 1 . 2]" 1
572 1 36 GLU H 1 36 GLU HB3 0.000 . 4.000 3.758 3.210 3.945 . 0 0 "[ . 1 . 2]" 1
573 1 36 GLU H 1 36 GLU HG2 0.000 . 5.000 4.349 2.477 5.333 0.333 13 0 "[ . 1 . 2]" 1
574 1 36 GLU H 1 44 MET HB2 0.000 . 5.000 2.377 1.882 4.192 . 0 0 "[ . 1 . 2]" 1
575 1 36 GLU H 1 45 LEU HA 0.000 . 5.000 4.593 4.223 4.945 . 0 0 "[ . 1 . 2]" 1
576 1 36 GLU H 1 45 LEU QD 0.000 . 5.000 4.483 4.327 4.681 . 0 0 "[ . 1 . 2]" 1
577 1 36 GLU HA 1 36 GLU HB2 0.000 . 3.000 2.785 2.401 2.937 . 0 0 "[ . 1 . 2]" 1
578 1 36 GLU HA 1 36 GLU HG2 0.000 . 4.000 2.582 1.931 3.728 . 0 0 "[ . 1 . 2]" 1
579 1 36 GLU HB3 1 36 GLU HG2 0.000 . 3.000 2.655 2.251 3.026 0.026 4 0 "[ . 1 . 2]" 1
580 1 37 PRO HA 1 37 PRO HB3 0.000 . 3.000 2.288 2.286 2.290 . 0 0 "[ . 1 . 2]" 1
581 1 37 PRO HA 1 38 ASP H 0.000 . 4.000 2.206 2.196 2.236 . 0 0 "[ . 1 . 2]" 1
582 1 37 PRO HA 1 38 ASP HA 0.000 . 5.000 4.477 4.444 4.522 . 0 0 "[ . 1 . 2]" 1
583 1 37 PRO HA 1 38 ASP QB 0.000 . 5.000 4.448 4.384 4.488 . 0 0 "[ . 1 . 2]" 1
584 1 37 PRO HA 1 43 SER H 0.000 . 5.000 4.794 4.607 5.005 0.005 13 0 "[ . 1 . 2]" 1
585 1 37 PRO HA 1 43 SER HA 0.000 . 3.000 1.948 1.882 2.059 . 0 0 "[ . 1 . 2]" 1
586 1 37 PRO HA 1 43 SER HB2 0.000 . 5.000 4.462 2.927 4.728 . 0 0 "[ . 1 . 2]" 1
587 1 37 PRO HA 1 44 MET H 0.000 . 5.000 1.928 1.872 2.035 . 0 0 "[ . 1 . 2]" 1
588 1 37 PRO HB2 1 38 ASP H 0.000 . 4.000 3.675 3.484 3.904 . 0 0 "[ . 1 . 2]" 1
589 1 37 PRO HB2 1 39 GLY H 0.000 . 5.000 3.051 2.558 3.432 . 0 0 "[ . 1 . 2]" 1
590 1 37 PRO HB3 1 38 ASP H 0.000 . 5.000 4.131 3.998 4.300 . 0 0 "[ . 1 . 2]" 1
591 1 37 PRO HB3 1 39 GLY H 0.000 . 5.000 4.310 3.932 4.545 . 0 0 "[ . 1 . 2]" 1
592 1 37 PRO HB3 1 43 SER HA 0.000 . 5.000 2.479 1.953 3.221 . 0 0 "[ . 1 . 2]" 1
593 1 37 PRO HD3 1 43 SER HB2 0.000 . 6.000 5.817 4.249 6.007 0.007 12 0 "[ . 1 . 2]" 1
594 1 37 PRO HD3 1 43 SER HB3 0.000 . 6.000 4.230 3.836 5.646 . 0 0 "[ . 1 . 2]" 1
595 1 37 PRO QG 1 38 ASP H 0.000 . 5.000 4.696 4.638 4.748 . 0 0 "[ . 1 . 2]" 1
596 1 38 ASP H 1 38 ASP QB 0.000 . 2.500 2.450 2.423 2.465 . 0 0 "[ . 1 . 2]" 1
597 1 38 ASP H 1 39 GLY H 0.000 . 3.000 2.607 2.561 2.701 . 0 0 "[ . 1 . 2]" 1
598 1 38 ASP H 1 43 SER H 0.000 . 6.000 5.172 4.927 5.651 . 0 0 "[ . 1 . 2]" 1
599 1 38 ASP H 1 43 SER HA 0.000 . 3.000 2.940 2.442 3.028 0.028 13 0 "[ . 1 . 2]" 1
600 1 38 ASP H 1 44 MET H 0.000 . 4.000 3.620 3.130 3.962 . 0 0 "[ . 1 . 2]" 1
601 1 38 ASP HA 1 38 ASP QB 0.000 . 2.700 2.307 2.195 2.387 . 0 0 "[ . 1 . 2]" 1
602 1 38 ASP HA 1 39 GLY H 0.000 . 4.000 3.490 3.301 3.538 . 0 0 "[ . 1 . 2]" 1
603 1 39 GLY H 1 39 GLY HA3 0.000 . 3.000 2.762 2.644 2.869 . 0 0 "[ . 1 . 2]" 1
604 1 39 GLY H 1 40 GLU H 0.000 . 5.000 4.391 4.299 4.437 . 0 0 "[ . 1 . 2]" 1
605 1 39 GLY HA2 1 40 GLU H 0.000 . 3.000 2.573 2.403 2.850 . 0 0 "[ . 1 . 2]" 1
606 1 39 GLY HA3 1 40 GLU H 0.000 . 4.000 2.651 2.396 2.844 . 0 0 "[ . 1 . 2]" 1
607 1 39 GLY HA3 1 41 ALA MB 0.000 . 5.000 4.108 3.883 4.328 . 0 0 "[ . 1 . 2]" 1
608 1 40 GLU H 1 40 GLU QG 0.000 . 4.000 3.046 2.180 3.989 . 0 0 "[ . 1 . 2]" 1
609 1 40 GLU H 1 41 ALA MB 0.000 . 6.000 4.201 3.974 4.343 . 0 0 "[ . 1 . 2]" 1
610 1 40 GLU H 1 42 ARG H 0.000 . 5.000 4.813 4.457 5.021 0.021 6 0 "[ . 1 . 2]" 1
611 1 40 GLU HA 1 40 GLU HB3 0.000 . 3.000 2.747 2.499 3.036 0.036 8 0 "[ . 1 . 2]" 1
612 1 40 GLU HA 1 40 GLU QG 0.000 . 3.000 2.442 2.318 2.851 . 0 0 "[ . 1 . 2]" 1
613 1 40 GLU HB2 1 41 ALA MB 0.000 . 5.000 4.728 4.059 5.519 0.519 10 1 "[ . + . 2]" 1
614 1 40 GLU HB3 1 41 ALA MB 0.000 . 6.000 4.575 3.997 5.001 . 0 0 "[ . 1 . 2]" 1
615 1 40 GLU QG 1 41 ALA MB 0.000 . 6.000 4.993 4.374 5.396 . 0 0 "[ . 1 . 2]" 1
616 1 41 ALA H 1 42 ARG H 0.000 . 4.000 2.906 2.634 3.137 . 0 0 "[ . 1 . 2]" 1
617 1 41 ALA HA 1 42 ARG H 0.000 . 4.000 3.580 3.553 3.590 . 0 0 "[ . 1 . 2]" 1
618 1 41 ALA HA 1 60 ASN H 0.000 . 5.000 4.602 4.045 4.977 . 0 0 "[ . 1 . 2]" 1
619 1 41 ALA HA 1 60 ASN HB2 0.000 . 6.000 4.413 3.531 6.003 0.003 19 0 "[ . 1 . 2]" 1
620 1 41 ALA HA 1 60 ASN HB3 0.000 . 6.000 5.366 3.621 5.994 . 0 0 "[ . 1 . 2]" 1
621 1 41 ALA HA 1 60 ASN HD21 0.000 . 5.000 3.585 2.925 4.820 . 0 0 "[ . 1 . 2]" 1
622 1 41 ALA HA 1 60 ASN HD22 0.000 . 6.000 4.284 3.247 4.950 . 0 0 "[ . 1 . 2]" 1
623 1 41 ALA MB 1 42 ARG H 0.000 . 4.000 2.094 1.836 2.454 . 0 0 "[ . 1 . 2]" 1
624 1 41 ALA MB 1 42 ARG HA 0.000 . 6.000 3.896 3.786 4.016 . 0 0 "[ . 1 . 2]" 1
625 1 41 ALA MB 1 60 ASN HD21 0.000 . 6.000 4.415 3.656 5.354 . 0 0 "[ . 1 . 2]" 1
626 1 41 ALA MB 1 60 ASN HD22 0.000 . 6.000 4.944 3.732 5.545 . 0 0 "[ . 1 . 2]" 1
627 1 42 ARG H 1 42 ARG QB 0.000 . 2.500 2.461 2.411 2.509 0.009 13 0 "[ . 1 . 2]" 1
628 1 42 ARG H 1 42 ARG HD2 0.000 . 5.000 4.568 4.304 5.124 0.124 9 0 "[ . 1 . 2]" 1
629 1 42 ARG H 1 42 ARG HD3 0.000 . 6.000 4.755 3.610 5.311 . 0 0 "[ . 1 . 2]" 1
630 1 42 ARG H 1 42 ARG HG2 0.000 . 4.000 3.329 2.153 4.002 0.002 4 0 "[ . 1 . 2]" 1
631 1 42 ARG H 1 42 ARG HG3 0.000 . 4.000 3.093 2.636 3.581 . 0 0 "[ . 1 . 2]" 1
632 1 42 ARG H 1 43 SER H 0.000 . 5.000 4.586 4.534 4.652 . 0 0 "[ . 1 . 2]" 1
633 1 42 ARG H 1 59 LYS HA 0.000 . 6.000 5.109 4.641 5.511 . 0 0 "[ . 1 . 2]" 1
634 1 42 ARG H 1 60 ASN HD21 0.000 . 5.000 4.424 3.951 4.975 . 0 0 "[ . 1 . 2]" 1
635 1 42 ARG HA 1 42 ARG QB 0.000 . 2.700 2.330 2.191 2.415 . 0 0 "[ . 1 . 2]" 1
636 1 42 ARG HA 1 43 SER H 0.000 . 3.000 2.343 2.280 2.406 . 0 0 "[ . 1 . 2]" 1
637 1 42 ARG HA 1 59 LYS H 0.000 . 6.000 4.991 4.532 5.390 . 0 0 "[ . 1 . 2]" 1
638 1 42 ARG HA 1 59 LYS HA 0.000 . 3.000 2.218 1.854 2.574 . 0 0 "[ . 1 . 2]" 1
639 1 42 ARG HA 1 60 ASN H 0.000 . 3.000 2.956 2.644 3.009 0.009 17 0 "[ . 1 . 2]" 1
640 1 42 ARG QB 1 43 SER H 0.000 . 3.000 2.727 2.528 2.922 . 0 0 "[ . 1 . 2]" 1
641 1 42 ARG QB 1 59 LYS HA 0.000 . 4.000 3.560 3.097 3.876 . 0 0 "[ . 1 . 2]" 1
642 1 42 ARG HD2 1 42 ARG HG2 0.000 . 3.000 2.888 2.418 3.033 0.033 6 0 "[ . 1 . 2]" 1
643 1 42 ARG HD3 1 42 ARG HG2 0.000 . 3.000 2.480 2.363 3.027 0.027 11 0 "[ . 1 . 2]" 1
644 1 42 ARG HG2 1 43 SER H 0.000 . 5.000 4.191 3.959 4.558 . 0 0 "[ . 1 . 2]" 1
645 1 42 ARG HG2 1 59 LYS HA 0.000 . 6.000 3.955 2.603 5.998 . 0 0 "[ . 1 . 2]" 1
646 1 42 ARG HG3 1 59 LYS HA 0.000 . 6.000 4.755 4.115 5.764 . 0 0 "[ . 1 . 2]" 1
647 1 43 SER H 1 58 VAL H 0.000 . 5.000 3.540 3.115 4.118 . 0 0 "[ . 1 . 2]" 1
648 1 43 SER H 1 58 VAL QG 0.000 . 6.000 4.211 3.503 4.772 . 0 0 "[ . 1 . 2]" 1
649 1 43 SER H 1 59 LYS HA 0.000 . 4.000 2.922 2.529 3.329 . 0 0 "[ . 1 . 2]" 1
650 1 43 SER H 1 60 ASN H 0.000 . 4.000 3.940 3.843 4.007 0.007 8 0 "[ . 1 . 2]" 1
651 1 43 SER HA 1 44 MET ME 0.000 . 6.000 5.901 5.709 6.007 0.007 2 0 "[ . 1 . 2]" 1
652 1 43 SER QB 1 63 PHE HZ 0.000 . 6.000 2.404 1.877 3.207 . 0 0 "[ . 1 . 2]" 1
653 1 43 SER HB2 1 44 MET H 0.000 . 4.000 3.819 2.704 4.002 0.002 16 0 "[ . 1 . 2]" 1
654 1 43 SER HB2 1 44 MET HA 0.000 . 6.000 4.974 4.843 5.157 . 0 0 "[ . 1 . 2]" 1
655 1 43 SER HB2 1 45 LEU QD 0.000 . 5.000 2.501 1.989 3.579 . 0 0 "[ . 1 . 2]" 1
656 1 43 SER HB2 1 58 VAL QG 0.000 . 6.000 4.223 3.348 4.951 . 0 0 "[ . 1 . 2]" 1
657 1 43 SER HB2 1 63 PHE QE 0.000 . 5.000 2.830 2.259 4.388 . 0 0 "[ . 1 . 2]" 1
658 1 43 SER HB2 1 63 PHE HZ 0.000 . 5.000 2.473 1.894 3.422 . 0 0 "[ . 1 . 2]" 1
659 1 43 SER HB3 1 44 MET H 0.000 . 4.000 2.825 2.624 3.989 . 0 0 "[ . 1 . 2]" 1
660 1 43 SER HB3 1 44 MET HA 0.000 . 6.000 4.807 4.541 5.891 . 0 0 "[ . 1 . 2]" 1
661 1 43 SER HB3 1 45 LEU QD 0.000 . 5.000 2.688 2.265 3.505 . 0 0 "[ . 1 . 2]" 1
662 1 43 SER HB3 1 58 VAL QG 0.000 . 6.000 5.073 4.313 5.528 . 0 0 "[ . 1 . 2]" 1
663 1 43 SER HB3 1 63 PHE QE 0.000 . 5.000 4.207 3.816 4.845 . 0 0 "[ . 1 . 2]" 1
664 1 43 SER HB3 1 63 PHE HZ 0.000 . 5.000 3.447 2.934 4.507 . 0 0 "[ . 1 . 2]" 1
665 1 44 MET H 1 44 MET HB2 0.000 . 4.000 2.612 2.484 2.776 . 0 0 "[ . 1 . 2]" 1
666 1 44 MET H 1 44 MET HG3 0.000 . 5.000 3.026 2.255 4.538 . 0 0 "[ . 1 . 2]" 1
667 1 44 MET H 1 45 LEU QD 0.000 . 5.000 3.207 2.968 4.090 . 0 0 "[ . 1 . 2]" 1
668 1 44 MET H 1 58 VAL H 0.000 . 5.000 4.780 4.508 5.020 0.020 9 0 "[ . 1 . 2]" 1
669 1 44 MET HA 1 57 SER HA 0.000 . 3.000 1.968 1.857 2.251 . 0 0 "[ . 1 . 2]" 1
670 1 44 MET HB2 1 44 MET ME 0.000 . 4.000 3.179 2.025 3.393 . 0 0 "[ . 1 . 2]" 1
671 1 44 MET HB2 1 44 MET HG3 0.000 . 3.000 2.453 2.370 3.014 0.014 15 0 "[ . 1 . 2]" 1
672 1 44 MET HB2 1 45 LEU QD 0.000 . 6.000 4.251 4.087 4.742 . 0 0 "[ . 1 . 2]" 1
673 1 44 MET HB3 1 44 MET HG3 0.000 . 3.000 2.833 2.420 3.030 0.030 7 0 "[ . 1 . 2]" 1
674 1 44 MET ME 1 45 LEU H 0.000 . 6.000 4.246 3.356 5.382 . 0 0 "[ . 1 . 2]" 1
675 1 44 MET ME 1 55 LYS HB3 0.000 . 6.000 4.070 3.538 4.757 . 0 0 "[ . 1 . 2]" 1
676 1 44 MET ME 1 57 SER H 0.000 . 5.000 3.700 2.730 4.803 . 0 0 "[ . 1 . 2]" 1
677 1 44 MET ME 1 57 SER HA 0.000 . 5.000 3.214 2.248 4.416 . 0 0 "[ . 1 . 2]" 1
678 1 44 MET ME 1 57 SER QB 0.000 . 5.000 2.672 2.058 4.234 . 0 0 "[ . 1 . 2]" 1
679 1 45 LEU H 1 45 LEU HB3 0.000 . 4.000 3.766 3.710 3.815 . 0 0 "[ . 1 . 2]" 1
680 1 45 LEU H 1 45 LEU HG 0.000 . 4.000 3.791 2.662 4.007 0.007 5 0 "[ . 1 . 2]" 1
681 1 45 LEU H 1 56 HIS H 0.000 . 4.000 3.950 3.804 4.006 0.006 2 0 "[ . 1 . 2]" 1
682 1 45 LEU H 1 56 HIS HA 0.000 . 6.000 5.407 5.254 5.556 . 0 0 "[ . 1 . 2]" 1
683 1 45 LEU H 1 57 SER HA 0.000 . 3.000 2.783 2.411 3.002 0.002 18 0 "[ . 1 . 2]" 1
684 1 45 LEU H 1 58 VAL H 0.000 . 5.000 3.114 2.755 3.290 . 0 0 "[ . 1 . 2]" 1
685 1 45 LEU HA 1 45 LEU HB3 0.000 . 3.000 2.510 2.434 2.538 . 0 0 "[ . 1 . 2]" 1
686 1 45 LEU HA 1 45 LEU QD 0.000 . 3.000 2.692 2.029 2.879 . 0 0 "[ . 1 . 2]" 1
687 1 45 LEU HA 1 45 LEU HG 0.000 . 3.000 2.460 2.339 3.005 0.005 10 0 "[ . 1 . 2]" 1
688 1 45 LEU HB2 1 45 LEU HG 0.000 . 3.000 2.952 2.477 3.034 0.034 17 0 "[ . 1 . 2]" 1
689 1 45 LEU HB3 1 45 LEU QD 0.000 . 3.000 2.155 2.023 2.202 . 0 0 "[ . 1 . 2]" 1
690 1 45 LEU HB3 1 58 VAL QG 0.000 . 6.000 3.467 3.179 3.857 . 0 0 "[ . 1 . 2]" 1
691 1 45 LEU QD 1 46 LEU H 0.000 . 5.000 4.033 3.306 4.209 . 0 0 "[ . 1 . 2]" 1
692 1 45 LEU QD 1 58 VAL HB 0.000 . 5.000 2.699 1.835 3.927 . 0 0 "[ . 1 . 2]" 1
693 1 45 LEU QD 1 58 VAL QG 0.000 . 5.000 1.984 1.540 2.502 . 0 0 "[ . 1 . 2]" 1
694 1 45 LEU QD 1 63 PHE HB2 0.000 . 4.000 3.305 2.921 3.872 . 0 0 "[ . 1 . 2]" 1
695 1 45 LEU QD 1 63 PHE HB3 0.000 . 5.000 3.352 2.817 3.921 . 0 0 "[ . 1 . 2]" 1
696 1 45 LEU QD 1 63 PHE QD 0.000 . 3.000 2.614 2.296 2.903 . 0 0 "[ . 1 . 2]" 1
697 1 45 LEU QD 1 63 PHE QE 0.000 . 5.000 2.439 2.191 2.762 . 0 0 "[ . 1 . 2]" 1
698 1 45 LEU QD 1 63 PHE HZ 0.000 . 5.000 2.728 2.333 3.220 . 0 0 "[ . 1 . 2]" 1
699 1 45 LEU HG 1 58 VAL QG 0.000 . 6.000 3.847 2.963 4.618 . 0 0 "[ . 1 . 2]" 1
700 1 46 LEU H 1 46 LEU HB2 0.000 . 3.000 2.864 2.727 3.011 0.011 17 0 "[ . 1 . 2]" 1
701 1 46 LEU H 1 46 LEU HB3 0.000 . 3.000 2.520 2.375 2.660 . 0 0 "[ . 1 . 2]" 1
702 1 46 LEU H 1 46 LEU HG 0.000 . 5.000 4.406 4.251 4.500 . 0 0 "[ . 1 . 2]" 1
703 1 46 LEU HA 1 47 LEU H 0.000 . 5.000 2.195 2.190 2.201 . 0 0 "[ . 1 . 2]" 1
704 1 46 LEU HA 1 55 LYS HA 0.000 . 3.000 2.299 1.962 2.775 . 0 0 "[ . 1 . 2]" 1
705 1 46 LEU HA 1 55 LYS HG2 0.000 . 5.000 3.143 2.731 3.527 . 0 0 "[ . 1 . 2]" 1
706 1 46 LEU HA 1 56 HIS H 0.000 . 4.000 3.100 2.760 3.539 . 0 0 "[ . 1 . 2]" 1
707 1 46 LEU QD 1 47 LEU H 0.000 . 5.000 2.734 2.010 3.290 . 0 0 "[ . 1 . 2]" 1
708 1 46 LEU QD 1 53 GLU HB2 0.000 . 5.000 3.661 3.179 4.186 . 0 0 "[ . 1 . 2]" 1
709 1 46 LEU QD 1 53 GLU HB3 0.000 . 5.000 2.660 2.090 4.154 . 0 0 "[ . 1 . 2]" 1
710 1 46 LEU QD 1 53 GLU HG2 0.000 . 5.000 3.460 2.016 4.054 . 0 0 "[ . 1 . 2]" 1
711 1 46 LEU QD 1 53 GLU HG3 0.000 . 6.000 4.194 1.917 4.958 . 0 0 "[ . 1 . 2]" 1
712 1 46 LEU QD 1 54 ILE H 0.000 . 5.000 3.037 2.539 3.658 . 0 0 "[ . 1 . 2]" 1
713 1 46 LEU QD 1 54 ILE HA 0.000 . 6.000 3.976 2.975 4.602 . 0 0 "[ . 1 . 2]" 1
714 1 46 LEU QD 1 54 ILE HG12 0.000 . 6.000 4.422 3.992 4.835 . 0 0 "[ . 1 . 2]" 1
715 1 46 LEU QD 1 55 LYS HA 0.000 . 5.000 2.850 1.846 3.622 . 0 0 "[ . 1 . 2]" 1
716 1 46 LEU QD 1 55 LYS HD3 0.000 . 5.000 3.019 2.147 3.949 . 0 0 "[ . 1 . 2]" 1
717 1 46 LEU QD 1 55 LYS QE 0.000 . 5.000 2.144 1.629 2.801 . 0 0 "[ . 1 . 2]" 1
718 1 46 LEU QD 1 55 LYS HG2 0.000 . 6.000 1.850 1.705 2.089 . 0 0 "[ . 1 . 2]" 1
719 1 46 LEU QD 1 56 HIS H 0.000 . 6.000 4.363 3.581 4.982 . 0 0 "[ . 1 . 2]" 1
720 1 47 LEU H 1 47 LEU HB3 0.000 . 4.000 3.691 3.665 3.704 . 0 0 "[ . 1 . 2]" 1
721 1 47 LEU H 1 47 LEU HG 0.000 . 5.000 2.983 2.065 3.592 . 0 0 "[ . 1 . 2]" 1
722 1 47 LEU H 1 48 ASN H 0.000 . 5.000 4.414 4.234 4.623 . 0 0 "[ . 1 . 2]" 1
723 1 47 LEU H 1 54 ILE H 0.000 . 4.000 3.859 3.627 4.003 0.003 19 0 "[ . 1 . 2]" 1
724 1 47 LEU H 1 55 LYS HA 0.000 . 4.000 2.894 2.482 3.520 . 0 0 "[ . 1 . 2]" 1
725 1 47 LEU HA 1 47 LEU HG 0.000 . 4.000 2.731 2.385 3.258 . 0 0 "[ . 1 . 2]" 1
726 1 47 LEU HA 1 48 ASN H 0.000 . 3.000 2.213 2.193 2.290 . 0 0 "[ . 1 . 2]" 1
727 1 47 LEU HB2 1 48 ASN H 0.000 . 5.000 4.246 3.806 4.441 . 0 0 "[ . 1 . 2]" 1
728 1 47 LEU HB2 1 54 ILE H 0.000 . 6.000 3.779 3.359 4.057 . 0 0 "[ . 1 . 2]" 1
729 1 47 LEU HB2 1 54 ILE MD 0.000 . 5.000 2.772 2.363 3.298 . 0 0 "[ . 1 . 2]" 1
730 1 47 LEU HB2 1 54 ILE HG12 0.000 . 6.000 2.549 2.259 3.267 . 0 0 "[ . 1 . 2]" 1
731 1 47 LEU HB2 1 54 ILE MG 0.000 . 6.000 4.394 4.131 4.860 . 0 0 "[ . 1 . 2]" 1
732 1 47 LEU HB3 1 48 ASN H 0.000 . 5.000 3.522 2.983 3.837 . 0 0 "[ . 1 . 2]" 1
733 1 47 LEU HB3 1 54 ILE H 0.000 . 6.000 4.982 4.613 5.237 . 0 0 "[ . 1 . 2]" 1
734 1 47 LEU HB3 1 54 ILE MD 0.000 . 6.000 3.668 2.947 4.337 . 0 0 "[ . 1 . 2]" 1
735 1 47 LEU HB3 1 54 ILE HG12 0.000 . 6.000 3.835 3.366 4.497 . 0 0 "[ . 1 . 2]" 1
736 1 47 LEU HB3 1 54 ILE MG 0.000 . 6.000 5.415 4.935 5.974 . 0 0 "[ . 1 . 2]" 1
737 1 47 LEU QD 1 49 LEU QD 0.000 . 5.000 3.221 2.917 3.629 . 0 0 "[ . 1 . 2]" 1
738 1 47 LEU QD 1 54 ILE MD 0.000 . 4.000 2.620 2.317 2.931 . 0 0 "[ . 1 . 2]" 1
739 1 47 LEU QD 1 56 HIS HB2 0.000 . 5.000 3.209 2.539 4.295 . 0 0 "[ . 1 . 2]" 1
740 1 47 LEU QD 1 56 HIS HB3 0.000 . 5.000 2.448 1.886 3.260 . 0 0 "[ . 1 . 2]" 1
741 1 47 LEU HG 1 54 ILE MD 0.000 . 5.000 4.541 3.893 5.008 0.008 9 0 "[ . 1 . 2]" 1
742 1 48 ASN H 1 48 ASN QB 0.000 . 2.500 2.471 2.438 2.497 . 0 0 "[ . 1 . 2]" 1
743 1 48 ASN H 1 49 LEU H 0.000 . 5.000 4.421 4.178 4.561 . 0 0 "[ . 1 . 2]" 1
744 1 48 ASN HA 1 48 ASN QB 0.000 . 2.700 2.265 2.192 2.420 . 0 0 "[ . 1 . 2]" 1
745 1 48 ASN HA 1 49 LEU H 0.000 . 3.000 2.200 2.190 2.226 . 0 0 "[ . 1 . 2]" 1
746 1 48 ASN HA 1 49 LEU HA 0.000 . 5.000 4.463 4.452 4.499 . 0 0 "[ . 1 . 2]" 1
747 1 48 ASN HA 1 52 LYS H 0.000 . 6.000 5.817 5.232 5.993 . 0 0 "[ . 1 . 2]" 1
748 1 48 ASN HA 1 53 GLU HA 0.000 . 3.000 2.532 1.998 2.879 . 0 0 "[ . 1 . 2]" 1
749 1 48 ASN HA 1 53 GLU HG2 0.000 . 5.000 2.884 2.225 4.244 . 0 0 "[ . 1 . 2]" 1
750 1 48 ASN HA 1 53 GLU HG3 0.000 . 6.000 4.050 2.746 4.661 . 0 0 "[ . 1 . 2]" 1
751 1 48 ASN HA 1 54 ILE H 0.000 . 5.000 3.396 2.875 4.066 . 0 0 "[ . 1 . 2]" 1
752 1 48 ASN QB 1 49 LEU H 0.000 . 5.000 3.434 3.266 3.625 . 0 0 "[ . 1 . 2]" 1
753 1 48 ASN QB 1 49 LEU HA 0.000 . 6.000 4.584 4.259 4.909 . 0 0 "[ . 1 . 2]" 1
754 1 49 LEU H 1 50 ILE H 0.000 . 5.000 4.524 4.394 4.624 . 0 0 "[ . 1 . 2]" 1
755 1 49 LEU H 1 52 LYS H 0.000 . 4.000 3.773 3.378 3.940 . 0 0 "[ . 1 . 2]" 1
756 1 49 LEU H 1 53 GLU HA 0.000 . 5.000 2.444 2.116 2.838 . 0 0 "[ . 1 . 2]" 1
757 1 49 LEU H 1 54 ILE H 0.000 . 4.000 3.724 3.438 4.001 0.001 8 0 "[ . 1 . 2]" 1
758 1 49 LEU HA 1 49 LEU QD 0.000 . 3.000 2.244 1.817 2.845 . 0 0 "[ . 1 . 2]" 1
759 1 49 LEU HA 1 50 ILE H 0.000 . 4.000 2.313 2.225 2.664 . 0 0 "[ . 1 . 2]" 1
760 1 49 LEU HB2 1 49 LEU QD 0.000 . 3.000 2.132 2.005 2.367 . 0 0 "[ . 1 . 2]" 1
761 1 49 LEU HB2 1 50 ILE H 0.000 . 6.000 3.957 3.463 4.260 . 0 0 "[ . 1 . 2]" 1
762 1 49 LEU HB2 1 52 LYS H 0.000 . 4.000 2.299 2.061 2.620 . 0 0 "[ . 1 . 2]" 1
763 1 49 LEU HB3 1 49 LEU HG 0.000 . 3.000 2.606 2.383 3.035 0.035 20 0 "[ . 1 . 2]" 1
764 1 49 LEU HB3 1 50 ILE H 0.000 . 4.000 2.891 2.029 3.186 . 0 0 "[ . 1 . 2]" 1
765 1 49 LEU QD 1 54 ILE MD 0.000 . 3.000 2.215 1.665 2.631 . 0 0 "[ . 1 . 2]" 1
766 1 49 LEU QD 1 54 ILE HG12 0.000 . 5.000 2.142 1.764 2.846 . 0 0 "[ . 1 . 2]" 1
767 1 49 LEU QD 1 54 ILE HG13 0.000 . 5.000 3.323 2.652 3.917 . 0 0 "[ . 1 . 2]" 1
768 1 50 ILE H 1 50 ILE HA 0.000 . 3.000 2.815 2.795 2.875 . 0 0 "[ . 1 . 2]" 1
769 1 50 ILE H 1 50 ILE HG12 0.000 . 5.000 2.388 2.276 2.451 . 0 0 "[ . 1 . 2]" 1
770 1 50 ILE H 1 52 LYS H 0.000 . 5.000 4.433 3.718 4.699 . 0 0 "[ . 1 . 2]" 1
771 1 50 ILE HA 1 50 ILE HB 0.000 . 3.000 2.402 2.394 2.413 . 0 0 "[ . 1 . 2]" 1
772 1 50 ILE HA 1 50 ILE HG12 0.000 . 4.000 3.786 3.719 3.805 . 0 0 "[ . 1 . 2]" 1
773 1 50 ILE HA 1 50 ILE HG13 0.000 . 4.000 3.622 3.607 3.677 . 0 0 "[ . 1 . 2]" 1
774 1 50 ILE HA 1 50 ILE MG 0.000 . 3.000 2.403 2.372 2.459 . 0 0 "[ . 1 . 2]" 1
775 1 50 ILE HA 1 51 ASN H 0.000 . 4.000 3.519 3.383 3.573 . 0 0 "[ . 1 . 2]" 1
776 1 50 ILE HA 1 52 LYS H 0.000 . 5.000 4.803 4.523 5.001 0.001 8 0 "[ . 1 . 2]" 1
777 1 50 ILE HB 1 50 ILE MD 0.000 . 3.000 2.305 2.182 2.468 . 0 0 "[ . 1 . 2]" 1
778 1 50 ILE HB 1 50 ILE HG12 0.000 . 3.000 3.032 3.030 3.035 0.035 7 0 "[ . 1 . 2]" 1
779 1 50 ILE HB 1 51 ASN H 0.000 . 5.000 3.949 3.721 4.279 . 0 0 "[ . 1 . 2]" 1
780 1 50 ILE MG 1 51 ASN H 0.000 . 5.000 3.739 3.619 3.942 . 0 0 "[ . 1 . 2]" 1
781 1 51 ASN H 1 52 LYS H 0.000 . 4.000 2.558 2.079 2.744 . 0 0 "[ . 1 . 2]" 1
782 1 51 ASN HA 1 52 LYS H 0.000 . 5.000 3.504 3.042 3.589 . 0 0 "[ . 1 . 2]" 1
783 1 51 ASN HB2 1 52 LYS H 0.000 . 6.000 3.252 2.283 4.523 . 0 0 "[ . 1 . 2]" 1
784 1 51 ASN HB3 1 52 LYS H 0.000 . 6.000 3.142 2.218 4.540 . 0 0 "[ . 1 . 2]" 1
785 1 52 LYS H 1 52 LYS HB2 0.000 . 4.000 3.218 2.723 4.068 0.068 16 0 "[ . 1 . 2]" 1
786 1 52 LYS H 1 52 LYS HG2 0.000 . 5.000 4.158 2.574 4.608 . 0 0 "[ . 1 . 2]" 1
787 1 52 LYS H 1 52 LYS HG3 0.000 . 5.000 3.870 3.220 4.882 . 0 0 "[ . 1 . 2]" 1
788 1 52 LYS H 1 53 GLU H 0.000 . 5.000 4.391 4.327 4.431 . 0 0 "[ . 1 . 2]" 1
789 1 52 LYS HA 1 52 LYS HB2 0.000 . 3.000 2.783 2.411 3.036 0.036 20 0 "[ . 1 . 2]" 1
790 1 52 LYS HA 1 52 LYS HG3 0.000 . 4.000 2.927 2.436 3.719 . 0 0 "[ . 1 . 2]" 1
791 1 52 LYS HB2 1 54 ILE MG 0.000 . 6.000 3.997 3.262 5.005 . 0 0 "[ . 1 . 2]" 1
792 1 52 LYS HB3 1 54 ILE MG 0.000 . 6.000 3.681 3.134 4.735 . 0 0 "[ . 1 . 2]" 1
793 1 52 LYS QE 1 54 ILE MG 0.000 . 6.000 4.905 1.846 6.021 0.021 13 0 "[ . 1 . 2]" 1
794 1 52 LYS HG2 1 53 GLU H 0.000 . 5.000 3.360 1.872 4.373 . 0 0 "[ . 1 . 2]" 1
795 1 52 LYS HG3 1 54 ILE MG 0.000 . 6.000 4.907 2.181 5.721 . 0 0 "[ . 1 . 2]" 1
796 1 53 GLU H 1 53 GLU HG3 0.000 . 5.000 2.866 2.359 4.698 . 0 0 "[ . 1 . 2]" 1
797 1 53 GLU H 1 54 ILE H 0.000 . 6.000 4.514 4.341 4.624 . 0 0 "[ . 1 . 2]" 1
798 1 53 GLU HA 1 53 GLU HG2 0.000 . 4.000 2.513 2.377 2.970 . 0 0 "[ . 1 . 2]" 1
799 1 53 GLU HA 1 53 GLU HG3 0.000 . 4.000 3.000 2.394 3.120 . 0 0 "[ . 1 . 2]" 1
800 1 53 GLU HA 1 54 ILE H 0.000 . 3.000 2.221 2.194 2.305 . 0 0 "[ . 1 . 2]" 1
801 1 53 GLU HG2 1 54 ILE H 0.000 . 5.000 4.111 2.370 4.407 . 0 0 "[ . 1 . 2]" 1
802 1 53 GLU HG3 1 54 ILE H 0.000 . 6.000 4.833 2.846 5.173 . 0 0 "[ . 1 . 2]" 1
803 1 54 ILE H 1 54 ILE HG12 0.000 . 4.000 2.327 2.213 2.562 . 0 0 "[ . 1 . 2]" 1
804 1 54 ILE H 1 55 LYS H 0.000 . 5.000 4.476 4.413 4.522 . 0 0 "[ . 1 . 2]" 1
805 1 54 ILE HA 1 54 ILE HG12 0.000 . 4.000 3.797 3.715 3.906 . 0 0 "[ . 1 . 2]" 1
806 1 54 ILE HA 1 55 LYS H 0.000 . 3.000 2.345 2.224 2.415 . 0 0 "[ . 1 . 2]" 1
807 1 54 ILE HA 1 55 LYS HA 0.000 . 5.000 4.465 4.428 4.495 . 0 0 "[ . 1 . 2]" 1
808 1 54 ILE HA 1 55 LYS HG2 0.000 . 6.000 4.728 4.169 5.038 . 0 0 "[ . 1 . 2]" 1
809 1 54 ILE MD 1 55 LYS H 0.000 . 5.000 4.311 4.037 4.627 . 0 0 "[ . 1 . 2]" 1
810 1 54 ILE MD 1 56 HIS HA 0.000 . 6.000 5.506 5.140 5.954 . 0 0 "[ . 1 . 2]" 1
811 1 54 ILE MD 1 56 HIS HB2 0.000 . 4.000 3.546 3.017 3.994 . 0 0 "[ . 1 . 2]" 1
812 1 54 ILE MD 1 56 HIS HB3 0.000 . 6.000 4.275 3.745 4.745 . 0 0 "[ . 1 . 2]" 1
813 1 54 ILE MG 1 56 HIS HB2 0.000 . 6.000 5.791 5.568 5.924 . 0 0 "[ . 1 . 2]" 1
814 1 55 LYS H 1 55 LYS HB3 0.000 . 4.000 3.775 3.662 3.846 . 0 0 "[ . 1 . 2]" 1
815 1 55 LYS H 1 55 LYS HG2 0.000 . 5.000 3.790 3.429 4.054 . 0 0 "[ . 1 . 2]" 1
816 1 55 LYS H 1 55 LYS HG3 0.000 . 4.000 2.784 2.466 2.989 . 0 0 "[ . 1 . 2]" 1
817 1 55 LYS H 1 56 HIS H 0.000 . 5.000 4.423 4.330 4.515 . 0 0 "[ . 1 . 2]" 1
818 1 55 LYS HA 1 55 LYS HB3 0.000 . 3.000 2.467 2.393 2.509 . 0 0 "[ . 1 . 2]" 1
819 1 55 LYS HA 1 55 LYS HG2 0.000 . 4.000 2.463 2.416 2.535 . 0 0 "[ . 1 . 2]" 1
820 1 55 LYS HA 1 55 LYS HG3 0.000 . 4.000 3.130 2.955 3.382 . 0 0 "[ . 1 . 2]" 1
821 1 55 LYS HA 1 56 HIS H 0.000 . 3.000 2.215 2.201 2.239 . 0 0 "[ . 1 . 2]" 1
822 1 55 LYS HA 1 56 HIS HA 0.000 . 5.000 4.482 4.468 4.497 . 0 0 "[ . 1 . 2]" 1
823 1 55 LYS HB2 1 56 HIS H 0.000 . 4.000 4.154 3.977 4.302 0.302 2 0 "[ . 1 . 2]" 1
824 1 55 LYS HB3 1 55 LYS HG2 0.000 . 3.000 2.508 2.444 2.575 . 0 0 "[ . 1 . 2]" 1
825 1 56 HIS H 1 56 HIS HB2 0.000 . 4.000 3.273 3.156 3.454 . 0 0 "[ . 1 . 2]" 1
826 1 56 HIS H 1 56 HIS HB3 0.000 . 4.000 2.913 2.822 2.992 . 0 0 "[ . 1 . 2]" 1
827 1 56 HIS H 1 57 SER H 0.000 . 5.000 4.338 4.265 4.418 . 0 0 "[ . 1 . 2]" 1
828 1 56 HIS HA 1 56 HIS HB2 0.000 . 3.000 2.510 2.461 2.568 . 0 0 "[ . 1 . 2]" 1
829 1 56 HIS HA 1 56 HIS HE1 0.000 . 6.000 5.444 5.336 5.654 . 0 0 "[ . 1 . 2]" 1
830 1 56 HIS HA 1 57 SER H 0.000 . 3.000 2.260 2.205 2.314 . 0 0 "[ . 1 . 2]" 1
831 1 56 HIS HA 1 57 SER HA 0.000 . 5.000 4.411 4.393 4.434 . 0 0 "[ . 1 . 2]" 1
832 1 56 HIS HA 1 57 SER QB 0.000 . 5.000 4.292 4.223 4.542 . 0 0 "[ . 1 . 2]" 1
833 1 56 HIS HA 1 58 VAL QG 0.000 . 6.000 5.222 4.725 5.753 . 0 0 "[ . 1 . 2]" 1
834 1 56 HIS HB2 1 58 VAL QG 0.000 . 6.000 5.141 4.589 5.697 . 0 0 "[ . 1 . 2]" 1
835 1 56 HIS HB3 1 57 SER H 0.000 . 5.000 3.949 3.789 4.125 . 0 0 "[ . 1 . 2]" 1
836 1 56 HIS HB3 1 58 VAL QG 0.000 . 5.000 3.786 3.210 4.370 . 0 0 "[ . 1 . 2]" 1
837 1 56 HIS HD1 1 58 VAL QG 0.000 . 5.000 2.935 1.839 3.838 . 0 0 "[ . 1 . 2]" 1
838 1 57 SER H 1 57 SER QB 0.000 . 2.500 2.433 2.373 2.468 . 0 0 "[ . 1 . 2]" 1
839 1 57 SER H 1 58 VAL H 0.000 . 5.000 4.578 4.454 4.657 . 0 0 "[ . 1 . 2]" 1
840 1 57 SER HA 1 57 SER QB 0.000 . 2.700 2.211 2.190 2.387 . 0 0 "[ . 1 . 2]" 1
841 1 57 SER HA 1 58 VAL H 0.000 . 3.000 2.229 2.191 2.262 . 0 0 "[ . 1 . 2]" 1
842 1 58 VAL H 1 58 VAL HB 0.000 . 4.000 2.956 2.739 3.241 . 0 0 "[ . 1 . 2]" 1
843 1 58 VAL H 1 59 LYS H 0.000 . 5.000 4.480 4.414 4.517 . 0 0 "[ . 1 . 2]" 1
844 1 58 VAL HA 1 58 VAL QG 0.000 . 3.000 2.225 2.097 2.409 . 0 0 "[ . 1 . 2]" 1
845 1 58 VAL HA 1 59 LYS H 0.000 . 3.000 2.312 2.280 2.356 . 0 0 "[ . 1 . 2]" 1
846 1 58 VAL HA 1 59 LYS QB 0.000 . 5.000 4.462 4.188 4.605 . 0 0 "[ . 1 . 2]" 1
847 1 58 VAL HB 1 59 LYS H 0.000 . 4.000 3.840 3.660 3.998 . 0 0 "[ . 1 . 2]" 1
848 1 58 VAL HB 1 63 PHE QD 0.000 . 5.000 3.352 2.543 4.168 . 0 0 "[ . 1 . 2]" 1
849 1 58 VAL QG 1 59 LYS H 0.000 . 3.000 1.985 1.852 2.142 . 0 0 "[ . 1 . 2]" 1
850 1 58 VAL QG 1 59 LYS QB 0.000 . 6.000 3.526 3.302 4.002 . 0 0 "[ . 1 . 2]" 1
851 1 58 VAL QG 1 62 GLU H 0.000 . 4.000 3.408 3.225 3.842 . 0 0 "[ . 1 . 2]" 1
852 1 58 VAL QG 1 62 GLU QB 0.000 . 4.000 1.867 1.673 3.427 . 0 0 "[ . 1 . 2]" 1
853 1 58 VAL QG 1 63 PHE H 0.000 . 5.000 3.214 3.041 3.488 . 0 0 "[ . 1 . 2]" 1
854 1 58 VAL QG 1 63 PHE HA 0.000 . 6.000 3.994 3.806 4.244 . 0 0 "[ . 1 . 2]" 1
855 1 58 VAL QG 1 63 PHE HB2 0.000 . 6.000 3.389 3.171 3.585 . 0 0 "[ . 1 . 2]" 1
856 1 58 VAL QG 1 63 PHE HB3 0.000 . 6.000 2.061 1.839 2.367 . 0 0 "[ . 1 . 2]" 1
857 1 58 VAL QG 1 63 PHE QD 0.000 . 3.000 1.723 1.673 1.795 . 0 0 "[ . 1 . 2]" 1
858 1 58 VAL QG 1 63 PHE QE 0.000 . 5.000 2.892 2.292 3.489 . 0 0 "[ . 1 . 2]" 1
859 1 59 LYS H 1 59 LYS QB 0.000 . 2.500 2.424 2.377 2.502 0.002 19 0 "[ . 1 . 2]" 1
860 1 59 LYS H 1 59 LYS HD3 0.000 . 5.000 4.865 4.199 5.110 0.110 8 0 "[ . 1 . 2]" 1
861 1 59 LYS H 1 60 ASN H 0.000 . 5.000 4.613 4.547 4.663 . 0 0 "[ . 1 . 2]" 1
862 1 59 LYS H 1 62 GLU H 0.000 . 5.000 3.685 3.414 3.937 . 0 0 "[ . 1 . 2]" 1
863 1 59 LYS H 1 62 GLU QB 0.000 . 4.000 2.380 1.857 3.519 . 0 0 "[ . 1 . 2]" 1
864 1 59 LYS H 1 62 GLU HG3 0.000 . 5.000 3.310 2.977 3.525 . 0 0 "[ . 1 . 2]" 1
865 1 59 LYS HA 1 59 LYS QB 0.000 . 2.700 2.358 2.186 2.405 . 0 0 "[ . 1 . 2]" 1
866 1 59 LYS HA 1 60 ASN H 0.000 . 3.000 2.276 2.209 2.354 . 0 0 "[ . 1 . 2]" 1
867 1 59 LYS QB 1 60 ASN H 0.000 . 4.000 2.910 2.663 3.167 . 0 0 "[ . 1 . 2]" 1
868 1 59 LYS QB 1 61 THR H 0.000 . 6.000 2.561 2.362 3.031 . 0 0 "[ . 1 . 2]" 1
869 1 59 LYS QB 1 62 GLU HG2 0.000 . 5.000 3.468 1.899 3.913 . 0 0 "[ . 1 . 2]" 1
870 1 59 LYS QB 1 62 GLU HG3 0.000 . 5.000 2.471 1.871 4.031 . 0 0 "[ . 1 . 2]" 1
871 1 59 LYS QB 1 63 PHE H 0.000 . 6.000 4.575 4.229 5.299 . 0 0 "[ . 1 . 2]" 1
872 1 59 LYS QE 1 59 LYS HG3 0.000 . 3.000 2.530 2.229 3.347 0.347 7 0 "[ . 1 . 2]" 1
873 1 59 LYS HG3 1 62 GLU H 0.000 . 6.000 4.429 1.861 5.037 . 0 0 "[ . 1 . 2]" 1
874 1 60 ASN H 1 60 ASN HA 0.000 . 3.000 2.815 2.771 2.869 . 0 0 "[ . 1 . 2]" 1
875 1 60 ASN H 1 60 ASN HB3 0.000 . 4.000 3.364 2.365 3.627 . 0 0 "[ . 1 . 2]" 1
876 1 60 ASN H 1 60 ASN HD21 0.000 . 3.000 1.948 1.868 2.136 . 0 0 "[ . 1 . 2]" 1
877 1 60 ASN H 1 61 THR H 0.000 . 3.000 2.752 2.619 2.889 . 0 0 "[ . 1 . 2]" 1
878 1 60 ASN H 1 62 GLU H 0.000 . 5.000 4.139 4.050 4.355 . 0 0 "[ . 1 . 2]" 1
879 1 60 ASN HA 1 60 ASN HD21 0.000 . 4.000 3.593 2.351 3.941 . 0 0 "[ . 1 . 2]" 1
880 1 60 ASN HA 1 61 THR H 0.000 . 5.000 3.487 3.419 3.515 . 0 0 "[ . 1 . 2]" 1
881 1 60 ASN HA 1 61 THR HA 0.000 . 5.000 4.713 4.688 4.742 . 0 0 "[ . 1 . 2]" 1
882 1 60 ASN HA 1 63 PHE H 0.000 . 5.000 3.504 3.370 3.619 . 0 0 "[ . 1 . 2]" 1
883 1 60 ASN HA 1 63 PHE QD 0.000 . 4.000 3.380 3.278 3.574 . 0 0 "[ . 1 . 2]" 1
884 1 60 ASN HA 1 63 PHE QE 0.000 . 5.000 2.462 2.313 2.658 . 0 0 "[ . 1 . 2]" 1
885 1 60 ASN HA 1 63 PHE HZ 0.000 . 5.000 2.964 2.817 3.132 . 0 0 "[ . 1 . 2]" 1
886 1 60 ASN HA 1 64 ARG HA 0.000 . 5.000 4.913 4.704 5.005 0.005 18 0 "[ . 1 . 2]" 1
887 1 60 ASN HB2 1 61 THR H 0.000 . 4.000 3.219 2.895 4.008 0.008 19 0 "[ . 1 . 2]" 1
888 1 60 ASN HB2 1 61 THR MG 0.000 . 6.000 3.435 3.077 4.251 . 0 0 "[ . 1 . 2]" 1
889 1 60 ASN HB3 1 61 THR H 0.000 . 4.000 3.867 3.625 4.009 0.009 17 0 "[ . 1 . 2]" 1
890 1 60 ASN HB3 1 61 THR MG 0.000 . 6.000 4.063 3.702 4.439 . 0 0 "[ . 1 . 2]" 1
891 1 60 ASN HD21 1 63 PHE QD 0.000 . 6.000 5.855 4.663 6.004 0.004 3 0 "[ . 1 . 2]" 1
892 1 61 THR H 1 61 THR MG 0.000 . 3.000 2.218 1.850 2.455 . 0 0 "[ . 1 . 2]" 1
893 1 61 THR H 1 62 GLU H 0.000 . 3.000 2.391 2.298 2.464 . 0 0 "[ . 1 . 2]" 1
894 1 61 THR HA 1 61 THR HB 0.000 . 3.000 2.439 2.379 2.470 . 0 0 "[ . 1 . 2]" 1
895 1 61 THR HA 1 61 THR MG 0.000 . 3.000 2.400 2.264 2.558 . 0 0 "[ . 1 . 2]" 1
896 1 61 THR HA 1 62 GLU H 0.000 . 4.000 3.470 3.447 3.523 . 0 0 "[ . 1 . 2]" 1
897 1 61 THR HA 1 63 PHE H 0.000 . 4.000 3.977 3.790 4.030 0.030 19 0 "[ . 1 . 2]" 1
898 1 61 THR HB 1 63 PHE H 0.000 . 6.000 5.514 5.397 5.617 . 0 0 "[ . 1 . 2]" 1
899 1 61 THR MG 1 62 GLU H 0.000 . 6.000 3.903 3.758 3.975 . 0 0 "[ . 1 . 2]" 1
900 1 61 THR MG 1 63 PHE H 0.000 . 6.000 5.154 5.063 5.207 . 0 0 "[ . 1 . 2]" 1
901 1 62 GLU H 1 62 GLU QB 0.000 . 2.500 2.320 2.253 2.472 . 0 0 "[ . 1 . 2]" 1
902 1 62 GLU H 1 62 GLU HG2 0.000 . 4.000 3.458 2.339 3.914 . 0 0 "[ . 1 . 2]" 1
903 1 62 GLU H 1 62 GLU HG3 0.000 . 4.000 2.950 2.432 3.937 . 0 0 "[ . 1 . 2]" 1
904 1 62 GLU H 1 63 PHE H 0.000 . 3.000 2.381 2.254 2.477 . 0 0 "[ . 1 . 2]" 1
905 1 62 GLU H 1 63 PHE QD 0.000 . 5.000 3.468 3.298 3.686 . 0 0 "[ . 1 . 2]" 1
906 1 62 GLU HA 1 62 GLU QB 0.000 . 2.700 2.417 2.190 2.455 . 0 0 "[ . 1 . 2]" 1
907 1 62 GLU HA 1 62 GLU HG2 0.000 . 4.000 2.562 2.381 3.829 . 0 0 "[ . 1 . 2]" 1
908 1 62 GLU HA 1 62 GLU HG3 0.000 . 4.000 3.096 2.770 3.669 . 0 0 "[ . 1 . 2]" 1
909 1 62 GLU HA 1 63 PHE H 0.000 . 4.000 3.460 3.406 3.486 . 0 0 "[ . 1 . 2]" 1
910 1 62 GLU QB 1 63 PHE H 0.000 . 5.000 3.018 2.922 3.680 . 0 0 "[ . 1 . 2]" 1
911 1 63 PHE H 1 63 PHE HB2 0.000 . 4.000 3.921 3.902 3.971 . 0 0 "[ . 1 . 2]" 1
912 1 63 PHE H 1 63 PHE QD 0.000 . 4.000 2.465 2.225 2.755 . 0 0 "[ . 1 . 2]" 1
913 1 63 PHE H 1 64 ARG H 0.000 . 5.000 4.455 4.424 4.475 . 0 0 "[ . 1 . 2]" 1
914 1 63 PHE HA 1 63 PHE HB2 0.000 . 3.000 2.398 2.366 2.424 . 0 0 "[ . 1 . 2]" 1
915 1 63 PHE HA 1 63 PHE QD 0.000 . 4.000 3.698 3.678 3.704 . 0 0 "[ . 1 . 2]" 1
916 1 63 PHE HA 1 64 ARG H 0.000 . 3.000 2.465 2.356 2.589 . 0 0 "[ . 1 . 2]" 1
917 1 63 PHE HA 1 64 ARG HA 0.000 . 5.000 4.506 4.472 4.545 . 0 0 "[ . 1 . 2]" 1
918 1 63 PHE HA 1 64 ARG QG 0.000 . 6.000 4.186 3.422 5.799 . 0 0 "[ . 1 . 2]" 1
919 1 63 PHE HB2 1 63 PHE QD 0.000 . 3.000 2.376 2.335 2.438 . 0 0 "[ . 1 . 2]" 1
920 1 63 PHE HB2 1 64 ARG H 0.000 . 5.000 2.526 2.282 2.762 . 0 0 "[ . 1 . 2]" 1
921 1 63 PHE HB3 1 64 ARG H 0.000 . 5.000 3.913 3.757 4.067 . 0 0 "[ . 1 . 2]" 1
922 1 63 PHE QD 1 64 ARG H 0.000 . 4.000 2.926 2.588 3.282 . 0 0 "[ . 1 . 2]" 1
923 1 63 PHE QD 1 64 ARG HA 0.000 . 5.000 3.625 3.331 3.917 . 0 0 "[ . 1 . 2]" 1
924 1 63 PHE QD 1 65 LYS H 0.000 . 5.000 4.293 3.854 4.562 . 0 0 "[ . 1 . 2]" 1
925 1 63 PHE QE 1 64 ARG HA 0.000 . 5.000 4.476 4.242 4.720 . 0 0 "[ . 1 . 2]" 1
926 1 64 ARG H 1 64 ARG QD 0.000 . 5.000 4.509 4.013 4.993 . 0 0 "[ . 1 . 2]" 1
927 1 64 ARG H 1 64 ARG QG 0.000 . 4.000 3.270 2.116 3.997 . 0 0 "[ . 1 . 2]" 1
928 1 64 ARG HA 1 64 ARG HB2 0.000 . 3.000 2.814 2.405 3.030 0.030 4 0 "[ . 1 . 2]" 1
929 1 64 ARG HA 1 64 ARG HB3 0.000 . 3.000 2.667 2.489 3.028 0.028 18 0 "[ . 1 . 2]" 1
930 1 64 ARG HA 1 64 ARG QD 0.000 . 5.000 3.868 1.918 4.267 . 0 0 "[ . 1 . 2]" 1
931 1 64 ARG HA 1 65 LYS H 0.000 . 3.000 2.302 2.227 2.443 . 0 0 "[ . 1 . 2]" 1
932 1 64 ARG HA 1 65 LYS HA 0.000 . 5.000 4.401 4.387 4.418 . 0 0 "[ . 1 . 2]" 1
933 1 64 ARG HB3 1 64 ARG QD 0.000 . 3.000 2.448 2.309 2.764 . 0 0 "[ . 1 . 2]" 1
934 1 64 ARG QD 1 65 LYS H 0.000 . 5.000 4.626 3.353 4.928 . 0 0 "[ . 1 . 2]" 1
935 1 65 LYS H 1 65 LYS HA 0.000 . 3.000 2.914 2.850 2.951 . 0 0 "[ . 1 . 2]" 1
936 1 65 LYS H 1 65 LYS HB2 0.000 . 4.000 2.793 2.441 3.651 . 0 0 "[ . 1 . 2]" 1
937 1 65 LYS HA 1 66 LEU HA 0.000 . 5.000 4.434 4.385 4.479 . 0 0 "[ . 1 . 2]" 1
938 1 65 LYS HA 1 66 LEU QB 0.000 . 5.000 4.423 4.332 4.575 . 0 0 "[ . 1 . 2]" 1
939 1 65 LYS HB3 1 66 LEU H 0.000 . 6.000 4.153 3.893 4.433 . 0 0 "[ . 1 . 2]" 1
940 1 66 LEU H 1 66 LEU QB 0.000 . 2.500 2.430 2.261 2.465 . 0 0 "[ . 1 . 2]" 1
941 1 66 LEU H 1 66 LEU MD1 0.000 . 5.000 3.303 1.765 3.977 . 0 0 "[ . 1 . 2]" 1
942 1 66 LEU H 1 66 LEU MD2 0.000 . 5.000 3.150 2.431 4.002 . 0 0 "[ . 1 . 2]" 1
943 1 66 LEU H 1 66 LEU HG 0.000 . 5.000 2.674 2.236 3.497 . 0 0 "[ . 1 . 2]" 1
944 1 66 LEU HA 1 66 LEU QB 0.000 . 2.700 2.297 2.196 2.453 . 0 0 "[ . 1 . 2]" 1
945 1 66 LEU HA 1 66 LEU MD1 0.000 . 4.000 3.537 2.885 3.814 . 0 0 "[ . 1 . 2]" 1
946 1 66 LEU HA 1 66 LEU MD2 0.000 . 4.000 3.426 1.801 4.018 0.018 8 0 "[ . 1 . 2]" 1
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