NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
457870 |
2khe   |
11042 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2khe
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 1516
_Distance_constraint_stats_list.Viol_count 473
_Distance_constraint_stats_list.Viol_total 114.386
_Distance_constraint_stats_list.Viol_max 0.140
_Distance_constraint_stats_list.Viol_rms 0.0030
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0121
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 TYR 0.008 0.004 12 0 "[ . 1 . 2]"
1 4 ARG 0.003 0.003 4 0 "[ . 1 . 2]"
1 5 ILE 0.034 0.007 8 0 "[ . 1 . 2]"
1 6 GLU 0.030 0.010 19 0 "[ . 1 . 2]"
1 7 PHE 0.236 0.024 4 0 "[ . 1 . 2]"
1 8 ASP 0.462 0.085 4 0 "[ . 1 . 2]"
1 9 PRO 0.007 0.007 4 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.157 0.024 4 0 "[ . 1 . 2]"
1 12 GLU 0.247 0.050 7 0 "[ . 1 . 2]"
1 13 LYS 0.061 0.032 10 0 "[ . 1 . 2]"
1 14 GLU 0.078 0.026 19 0 "[ . 1 . 2]"
1 15 LEU 0.519 0.101 20 0 "[ . 1 . 2]"
1 16 GLU 0.007 0.005 3 0 "[ . 1 . 2]"
1 17 LYS 0.181 0.087 9 0 "[ . 1 . 2]"
1 18 LEU 0.025 0.012 9 0 "[ . 1 . 2]"
1 19 ASP 0.015 0.012 9 0 "[ . 1 . 2]"
1 20 ARG 0.147 0.052 20 0 "[ . 1 . 2]"
1 21 GLU 0.084 0.032 5 0 "[ . 1 . 2]"
1 22 VAL 0.029 0.010 14 0 "[ . 1 . 2]"
1 23 ALA 0.023 0.008 20 0 "[ . 1 . 2]"
1 24 ARG 0.341 0.063 20 0 "[ . 1 . 2]"
1 25 ARG 0.128 0.051 20 0 "[ . 1 . 2]"
1 26 ILE 0.013 0.005 19 0 "[ . 1 . 2]"
1 27 LEU 0.033 0.008 8 0 "[ . 1 . 2]"
1 28 ARG 0.003 0.003 12 0 "[ . 1 . 2]"
1 29 PHE 0.268 0.053 16 0 "[ . 1 . 2]"
1 30 LEU 0.098 0.017 16 0 "[ . 1 . 2]"
1 31 ARG 0.378 0.094 14 0 "[ . 1 . 2]"
1 32 GLU 0.767 0.094 14 0 "[ . 1 . 2]"
1 33 ARG 0.140 0.026 19 0 "[ . 1 . 2]"
1 34 VAL 0.169 0.026 19 0 "[ . 1 . 2]"
1 35 ALA 0.065 0.012 20 0 "[ . 1 . 2]"
1 36 THR 0.165 0.029 16 0 "[ . 1 . 2]"
1 37 LEU 0.077 0.029 5 0 "[ . 1 . 2]"
1 38 GLU 0.039 0.038 17 0 "[ . 1 . 2]"
1 39 ASP 0.070 0.016 6 0 "[ . 1 . 2]"
1 40 PRO 0.035 0.008 11 0 "[ . 1 . 2]"
1 41 ARG 0.003 0.003 6 0 "[ . 1 . 2]"
1 42 SER 0.066 0.027 11 0 "[ . 1 . 2]"
1 43 LEU 0.040 0.009 14 0 "[ . 1 . 2]"
1 44 GLY 0.018 0.007 10 0 "[ . 1 . 2]"
1 45 GLU 0.032 0.014 18 0 "[ . 1 . 2]"
1 46 PRO 0.007 0.006 18 0 "[ . 1 . 2]"
1 47 LEU 0.019 0.010 5 0 "[ . 1 . 2]"
1 48 ARG 0.099 0.078 12 0 "[ . 1 . 2]"
1 49 GLY 0.001 0.001 9 0 "[ . 1 . 2]"
1 50 PRO 0.001 0.001 9 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.169 0.076 5 0 "[ . 1 . 2]"
1 55 PHE 0.031 0.022 10 0 "[ . 1 . 2]"
1 56 TRP 0.009 0.006 18 0 "[ . 1 . 2]"
1 57 LYS 0.128 0.091 16 0 "[ . 1 . 2]"
1 58 TYR 0.007 0.002 18 0 "[ . 1 . 2]"
1 59 ARG 0.735 0.140 18 0 "[ . 1 . 2]"
1 60 VAL 0.012 0.005 19 0 "[ . 1 . 2]"
1 61 GLY 0.005 0.005 5 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TYR 0.017 0.007 4 0 "[ . 1 . 2]"
1 64 ARG 0.022 0.006 6 0 "[ . 1 . 2]"
1 65 LEU 0.016 0.005 4 0 "[ . 1 . 2]"
1 66 ILE 0.067 0.034 11 0 "[ . 1 . 2]"
1 67 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 HIS 0.016 0.005 15 0 "[ . 1 . 2]"
1 69 ILE 0.019 0.008 11 0 "[ . 1 . 2]"
1 70 GLN 0.010 0.003 4 0 "[ . 1 . 2]"
1 71 ASP 0.007 0.004 12 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.042 0.020 5 0 "[ . 1 . 2]"
1 74 ALA 0.034 0.020 5 0 "[ . 1 . 2]"
1 75 THR 0.004 0.003 4 0 "[ . 1 . 2]"
1 76 VAL 0.004 0.004 19 0 "[ . 1 . 2]"
1 77 LEU 0.022 0.005 15 0 "[ . 1 . 2]"
1 78 VAL 0.187 0.027 4 0 "[ . 1 . 2]"
1 79 LEU 0.032 0.006 13 0 "[ . 1 . 2]"
1 80 ARG 0.035 0.014 7 0 "[ . 1 . 2]"
1 81 VAL 0.344 0.027 4 0 "[ . 1 . 2]"
1 82 GLY 0.019 0.005 6 0 "[ . 1 . 2]"
1 83 HIS 0.019 0.008 13 0 "[ . 1 . 2]"
1 84 ALA 0.002 0.002 17 0 "[ . 1 . 2]"
1 85 ARG 0.019 0.008 13 0 "[ . 1 . 2]"
1 86 ASP 0.000 0.000 14 0 "[ . 1 . 2]"
1 87 VAL 0.011 0.004 11 0 "[ . 1 . 2]"
1 88 TYR 0.268 0.109 13 0 "[ . 1 . 2]"
1 89 ARG 0.095 0.036 14 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 2 GLY QA 1 3 TYR H . . 3.080 2.198 2.110 2.327 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLY QA 1 3 TYR HB2 . . 4.590 4.212 4.062 4.284 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY QA 1 3 TYR QD . . 4.010 2.958 2.696 3.190 . 0 0 "[ . 1 . 2]" 1
4 1 3 TYR H 1 3 TYR HB2 . . 3.620 2.381 2.281 2.682 . 0 0 "[ . 1 . 2]" 1
5 1 3 TYR H 1 3 TYR HB3 . . 4.190 3.612 3.546 3.773 . 0 0 "[ . 1 . 2]" 1
6 1 3 TYR H 1 3 TYR QD . . 3.750 2.398 1.954 3.080 . 0 0 "[ . 1 . 2]" 1
7 1 3 TYR H 1 35 ALA HA . . 4.600 4.249 3.834 4.601 0.001 18 0 "[ . 1 . 2]" 1
8 1 3 TYR HA 1 3 TYR QD . . 3.620 3.017 2.842 3.121 . 0 0 "[ . 1 . 2]" 1
9 1 3 TYR HA 1 3 TYR QE . . 4.710 4.582 4.526 4.648 . 0 0 "[ . 1 . 2]" 1
10 1 3 TYR HA 1 4 ARG H . . 3.030 2.351 2.267 2.519 . 0 0 "[ . 1 . 2]" 1
11 1 3 TYR HA 1 74 ALA MB . . 3.520 2.884 2.591 3.312 . 0 0 "[ . 1 . 2]" 1
12 1 3 TYR HA 1 75 THR HA . . 4.670 3.965 3.722 4.327 . 0 0 "[ . 1 . 2]" 1
13 1 3 TYR HB2 1 4 ARG H . . 4.110 3.871 3.552 4.033 . 0 0 "[ . 1 . 2]" 1
14 1 3 TYR HB2 1 76 VAL MG2 . . 3.600 3.212 2.830 3.520 . 0 0 "[ . 1 . 2]" 1
15 1 3 TYR HB3 1 4 ARG H . . 3.620 2.578 2.178 2.809 . 0 0 "[ . 1 . 2]" 1
16 1 3 TYR HB3 1 5 ILE MD . . 4.670 4.013 3.769 4.254 . 0 0 "[ . 1 . 2]" 1
17 1 3 TYR HB3 1 75 THR HA . . 3.990 3.159 2.842 3.431 . 0 0 "[ . 1 . 2]" 1
18 1 3 TYR HB3 1 76 VAL H . . 4.260 3.277 2.860 3.514 . 0 0 "[ . 1 . 2]" 1
19 1 3 TYR HB3 1 76 VAL MG2 . . 3.480 2.593 2.287 2.837 . 0 0 "[ . 1 . 2]" 1
20 1 3 TYR QD 1 4 ARG H . . 4.390 3.840 3.539 3.993 . 0 0 "[ . 1 . 2]" 1
21 1 3 TYR QD 1 40 PRO QG . . 3.600 2.918 2.528 3.441 . 0 0 "[ . 1 . 2]" 1
22 1 3 TYR QD 1 69 ILE MG . . 3.620 3.343 3.028 3.603 . 0 0 "[ . 1 . 2]" 1
23 1 3 TYR QD 1 71 ASP HA . . 5.190 5.058 4.535 5.194 0.004 12 0 "[ . 1 . 2]" 1
24 1 3 TYR QD 1 74 ALA HA . . 4.290 2.886 2.570 3.266 . 0 0 "[ . 1 . 2]" 1
25 1 3 TYR QD 1 74 ALA MB . . 3.870 2.932 2.641 3.494 . 0 0 "[ . 1 . 2]" 1
26 1 3 TYR QD 1 75 THR H . . 4.150 3.608 3.115 3.953 . 0 0 "[ . 1 . 2]" 1
27 1 3 TYR QD 1 75 THR HA . . 4.460 3.352 2.778 3.695 . 0 0 "[ . 1 . 2]" 1
28 1 3 TYR QD 1 76 VAL MG2 . . 3.310 2.580 2.362 2.847 . 0 0 "[ . 1 . 2]" 1
29 1 3 TYR QE 1 40 PRO QD . . 4.340 2.815 2.436 3.234 . 0 0 "[ . 1 . 2]" 1
30 1 3 TYR QE 1 40 PRO QG . . 4.040 2.908 2.539 3.420 . 0 0 "[ . 1 . 2]" 1
31 1 3 TYR QE 1 69 ILE MG . . 3.080 2.743 2.194 3.056 . 0 0 "[ . 1 . 2]" 1
32 1 3 TYR QE 1 71 ASP HA . . 3.290 3.176 2.666 3.291 0.001 17 0 "[ . 1 . 2]" 1
33 1 3 TYR QE 1 74 ALA H . . 4.700 4.226 3.897 4.487 . 0 0 "[ . 1 . 2]" 1
34 1 3 TYR QE 1 74 ALA HA . . 4.020 2.141 2.004 2.369 . 0 0 "[ . 1 . 2]" 1
35 1 3 TYR QE 1 74 ALA MB . . 4.130 2.666 2.439 3.293 . 0 0 "[ . 1 . 2]" 1
36 1 3 TYR QE 1 75 THR H . . 4.430 4.226 3.517 4.413 . 0 0 "[ . 1 . 2]" 1
37 1 3 TYR QE 1 76 VAL MG2 . . 4.470 4.086 3.830 4.465 . 0 0 "[ . 1 . 2]" 1
38 1 4 ARG H 1 4 ARG QB . . 3.250 2.288 2.249 2.342 . 0 0 "[ . 1 . 2]" 1
39 1 4 ARG H 1 4 ARG QG . . 4.140 3.979 3.926 4.057 . 0 0 "[ . 1 . 2]" 1
40 1 4 ARG H 1 74 ALA MB . . 4.230 3.975 3.734 4.229 . 0 0 "[ . 1 . 2]" 1
41 1 4 ARG H 1 75 THR HA . . 3.410 2.220 2.040 2.494 . 0 0 "[ . 1 . 2]" 1
42 1 4 ARG H 1 75 THR MG . . 4.180 3.583 2.982 3.853 . 0 0 "[ . 1 . 2]" 1
43 1 4 ARG H 1 76 VAL H . . 4.140 3.378 3.126 3.667 . 0 0 "[ . 1 . 2]" 1
44 1 4 ARG HA 1 4 ARG QG . . 3.450 2.593 2.314 2.978 . 0 0 "[ . 1 . 2]" 1
45 1 4 ARG HA 1 5 ILE H . . 2.810 2.270 2.216 2.329 . 0 0 "[ . 1 . 2]" 1
46 1 4 ARG HA 1 5 ILE HB . . 4.910 4.753 4.687 4.841 . 0 0 "[ . 1 . 2]" 1
47 1 4 ARG HA 1 5 ILE HG12 . . 4.510 3.457 3.330 3.599 . 0 0 "[ . 1 . 2]" 1
48 1 4 ARG HA 1 5 ILE HG13 . . 5.350 5.207 5.066 5.346 . 0 0 "[ . 1 . 2]" 1
49 1 4 ARG QB 1 75 THR HA . . 3.750 2.577 2.232 2.819 . 0 0 "[ . 1 . 2]" 1
50 1 4 ARG QB 1 75 THR MG . . 3.370 2.004 1.905 2.215 . 0 0 "[ . 1 . 2]" 1
51 1 4 ARG QD 1 75 THR MG . . 4.730 3.411 2.278 4.397 . 0 0 "[ . 1 . 2]" 1
52 1 4 ARG QG 1 5 ILE H . . 3.430 2.166 1.883 2.424 . 0 0 "[ . 1 . 2]" 1
53 1 4 ARG QG 1 6 GLU QG . . 4.450 2.286 2.113 2.816 . 0 0 "[ . 1 . 2]" 1
54 1 4 ARG QG 1 75 THR HA . . 4.400 4.303 4.131 4.403 0.003 4 0 "[ . 1 . 2]" 1
55 1 4 ARG QG 1 75 THR MG . . 3.360 2.515 2.208 2.828 . 0 0 "[ . 1 . 2]" 1
56 1 5 ILE H 1 5 ILE HB . . 3.200 2.666 2.568 2.759 . 0 0 "[ . 1 . 2]" 1
57 1 5 ILE H 1 5 ILE MD . . 4.000 3.341 3.062 3.595 . 0 0 "[ . 1 . 2]" 1
58 1 5 ILE H 1 5 ILE HG12 . . 3.600 2.488 2.292 2.583 . 0 0 "[ . 1 . 2]" 1
59 1 5 ILE H 1 5 ILE HG13 . . 4.010 3.934 3.766 4.012 0.002 20 0 "[ . 1 . 2]" 1
60 1 5 ILE H 1 5 ILE MG . . 4.080 3.853 3.817 3.887 . 0 0 "[ . 1 . 2]" 1
61 1 5 ILE H 1 6 GLU H . . 4.600 4.208 4.104 4.328 . 0 0 "[ . 1 . 2]" 1
62 1 5 ILE MD 1 6 GLU H . . 4.190 3.869 3.792 3.994 . 0 0 "[ . 1 . 2]" 1
63 1 5 ILE MD 1 30 LEU HA . . 4.300 4.063 3.721 4.302 0.002 2 0 "[ . 1 . 2]" 1
64 1 5 ILE MD 1 30 LEU HB3 . . 3.640 2.592 2.336 2.851 . 0 0 "[ . 1 . 2]" 1
65 1 5 ILE MD 1 30 LEU MD1 . . 4.140 4.071 3.922 4.141 0.001 13 0 "[ . 1 . 2]" 1
66 1 5 ILE MD 1 34 VAL MG2 . . 4.300 3.995 3.325 4.300 0.000 4 0 "[ . 1 . 2]" 1
67 1 5 ILE MD 1 35 ALA H . . 4.340 4.060 3.702 4.341 0.001 13 0 "[ . 1 . 2]" 1
68 1 5 ILE MD 1 35 ALA HA . . 3.690 3.358 3.169 3.515 . 0 0 "[ . 1 . 2]" 1
69 1 5 ILE MD 1 35 ALA MB . . 3.600 3.573 3.470 3.605 0.005 15 0 "[ . 1 . 2]" 1
70 1 5 ILE MD 1 76 VAL H . . 4.180 3.877 3.695 4.049 . 0 0 "[ . 1 . 2]" 1
71 1 5 ILE MD 1 76 VAL HB . . 3.190 2.943 2.777 3.183 . 0 0 "[ . 1 . 2]" 1
72 1 5 ILE MD 1 76 VAL MG1 . . 4.100 3.737 3.589 4.086 . 0 0 "[ . 1 . 2]" 1
73 1 5 ILE MD 1 76 VAL MG2 . . 3.640 3.355 2.999 3.582 . 0 0 "[ . 1 . 2]" 1
74 1 5 ILE HG12 1 5 ILE MG . . 3.480 3.188 3.182 3.201 . 0 0 "[ . 1 . 2]" 1
75 1 5 ILE HG13 1 5 ILE MG . . 3.250 2.332 2.254 2.460 . 0 0 "[ . 1 . 2]" 1
76 1 5 ILE HG13 1 30 LEU HB3 . . 3.980 3.768 3.537 3.982 0.002 10 0 "[ . 1 . 2]" 1
77 1 5 ILE HG13 1 31 ARG HA . . 4.230 2.807 2.294 3.165 . 0 0 "[ . 1 . 2]" 1
78 1 5 ILE HG13 1 35 ALA MB . . 4.030 3.771 3.448 4.029 . 0 0 "[ . 1 . 2]" 1
79 1 5 ILE MG 1 6 GLU H . . 3.430 2.926 2.739 3.149 . 0 0 "[ . 1 . 2]" 1
80 1 5 ILE MG 1 6 GLU QB . . 5.340 4.648 4.517 4.740 . 0 0 "[ . 1 . 2]" 1
81 1 5 ILE MG 1 7 PHE QE . . 3.750 1.880 1.823 1.975 . 0 0 "[ . 1 . 2]" 1
82 1 5 ILE MG 1 7 PHE HZ . . 4.390 3.535 3.371 3.686 . 0 0 "[ . 1 . 2]" 1
83 1 5 ILE MG 1 30 LEU HB3 . . 3.420 2.582 2.266 2.862 . 0 0 "[ . 1 . 2]" 1
84 1 5 ILE MG 1 30 LEU MD1 . . 3.190 3.146 2.995 3.197 0.007 8 0 "[ . 1 . 2]" 1
85 1 5 ILE MG 1 30 LEU HG . . 5.500 4.930 4.764 5.135 . 0 0 "[ . 1 . 2]" 1
86 1 5 ILE MG 1 31 ARG HA . . 4.790 4.106 3.683 4.344 . 0 0 "[ . 1 . 2]" 1
87 1 6 GLU H 1 6 GLU HB2 . . 3.810 2.481 2.377 2.595 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLU H 1 6 GLU QB . . 3.270 2.443 2.343 2.550 . 0 0 "[ . 1 . 2]" 1
89 1 6 GLU H 1 6 GLU HB3 . . 3.810 3.652 3.554 3.747 . 0 0 "[ . 1 . 2]" 1
90 1 6 GLU H 1 6 GLU QG . . 3.930 3.247 2.907 3.390 . 0 0 "[ . 1 . 2]" 1
91 1 6 GLU H 1 75 THR MG . . 3.880 3.588 3.267 3.786 . 0 0 "[ . 1 . 2]" 1
92 1 6 GLU H 1 76 VAL H . . 4.420 3.948 3.612 4.315 . 0 0 "[ . 1 . 2]" 1
93 1 6 GLU H 1 76 VAL MG1 . . 4.740 4.177 3.990 4.369 . 0 0 "[ . 1 . 2]" 1
94 1 6 GLU H 1 77 LEU HA . . 3.710 3.029 2.815 3.230 . 0 0 "[ . 1 . 2]" 1
95 1 6 GLU H 1 77 LEU QD . . 5.050 4.348 3.992 4.984 . 0 0 "[ . 1 . 2]" 1
96 1 6 GLU H 1 78 VAL H . . 4.470 4.071 3.912 4.291 . 0 0 "[ . 1 . 2]" 1
97 1 6 GLU H 1 78 VAL MG2 . . 4.300 4.182 3.941 4.310 0.010 19 0 "[ . 1 . 2]" 1
98 1 6 GLU QB 1 7 PHE H . . 3.470 2.555 2.376 2.729 . 0 0 "[ . 1 . 2]" 1
99 1 6 GLU QB 1 75 THR MG . . 3.380 2.785 2.442 2.933 . 0 0 "[ . 1 . 2]" 1
100 1 6 GLU QB 1 77 LEU HA . . 3.630 2.427 2.031 2.641 . 0 0 "[ . 1 . 2]" 1
101 1 6 GLU QB 1 77 LEU QD . . 3.000 2.022 1.796 2.726 . 0 0 "[ . 1 . 2]" 1
102 1 6 GLU HB2 1 7 PHE H . . 4.140 3.893 3.657 4.033 . 0 0 "[ . 1 . 2]" 1
103 1 6 GLU HB2 1 75 THR MG . . 4.220 2.841 2.476 3.007 . 0 0 "[ . 1 . 2]" 1
104 1 6 GLU HB2 1 77 LEU HA . . 4.130 2.515 2.075 2.752 . 0 0 "[ . 1 . 2]" 1
105 1 6 GLU HB3 1 7 PHE H . . 4.140 2.591 2.408 2.775 . 0 0 "[ . 1 . 2]" 1
106 1 6 GLU HB3 1 75 THR MG . . 4.220 4.013 3.718 4.205 . 0 0 "[ . 1 . 2]" 1
107 1 6 GLU HB3 1 77 LEU HA . . 4.130 3.250 2.883 3.593 . 0 0 "[ . 1 . 2]" 1
108 1 6 GLU QG 1 7 PHE H . . 4.230 3.981 3.642 4.223 . 0 0 "[ . 1 . 2]" 1
109 1 6 GLU QG 1 75 THR MG . . 3.240 2.417 1.957 2.749 . 0 0 "[ . 1 . 2]" 1
110 1 6 GLU QG 1 77 LEU QD . . 4.290 3.511 3.165 3.954 . 0 0 "[ . 1 . 2]" 1
111 1 6 GLU HG2 1 7 PHE H . . 5.070 4.327 3.756 4.799 . 0 0 "[ . 1 . 2]" 1
112 1 6 GLU HG2 1 75 THR MG . . 3.890 3.157 2.461 3.678 . 0 0 "[ . 1 . 2]" 1
113 1 6 GLU HG3 1 7 PHE H . . 5.070 4.752 4.472 4.973 . 0 0 "[ . 1 . 2]" 1
114 1 6 GLU HG3 1 75 THR MG . . 3.890 2.597 1.969 3.144 . 0 0 "[ . 1 . 2]" 1
115 1 7 PHE H 1 7 PHE HB2 . . 3.300 2.638 2.616 2.648 . 0 0 "[ . 1 . 2]" 1
116 1 7 PHE H 1 7 PHE HB3 . . 3.860 3.738 3.726 3.744 . 0 0 "[ . 1 . 2]" 1
117 1 7 PHE H 1 7 PHE QD . . 3.780 3.111 3.010 3.301 . 0 0 "[ . 1 . 2]" 1
118 1 7 PHE H 1 8 ASP H . . 4.640 4.263 4.102 4.391 . 0 0 "[ . 1 . 2]" 1
119 1 7 PHE H 1 77 LEU QD . . 4.520 3.136 2.519 4.263 . 0 0 "[ . 1 . 2]" 1
120 1 7 PHE HA 1 78 VAL HB . . 3.630 2.274 2.000 2.672 . 0 0 "[ . 1 . 2]" 1
121 1 7 PHE HA 1 78 VAL MG2 . . 4.430 2.800 2.075 3.166 . 0 0 "[ . 1 . 2]" 1
122 1 7 PHE HB2 1 8 ASP H . . 4.660 4.315 4.099 4.462 . 0 0 "[ . 1 . 2]" 1
123 1 7 PHE HB2 1 12 GLU H . . 5.500 4.965 4.752 5.191 . 0 0 "[ . 1 . 2]" 1
124 1 7 PHE HB2 1 12 GLU QB . . 4.800 4.641 4.284 4.808 0.008 11 0 "[ . 1 . 2]" 1
125 1 7 PHE HB2 1 12 GLU HG2 . . 4.410 3.058 2.630 4.052 . 0 0 "[ . 1 . 2]" 1
126 1 7 PHE HB2 1 12 GLU QG . . 3.850 2.838 2.431 3.725 . 0 0 "[ . 1 . 2]" 1
127 1 7 PHE HB2 1 12 GLU HG3 . . 4.410 3.526 2.743 4.398 . 0 0 "[ . 1 . 2]" 1
128 1 7 PHE HB3 1 8 ASP H . . 4.380 3.283 2.889 3.593 . 0 0 "[ . 1 . 2]" 1
129 1 7 PHE HB3 1 11 ALA MB . . 3.960 3.329 3.131 3.606 . 0 0 "[ . 1 . 2]" 1
130 1 7 PHE HB3 1 12 GLU H . . 4.130 3.437 3.222 3.690 . 0 0 "[ . 1 . 2]" 1
131 1 7 PHE HB3 1 12 GLU HA . . 4.620 3.518 3.256 3.693 . 0 0 "[ . 1 . 2]" 1
132 1 7 PHE HB3 1 12 GLU QB . . 4.050 3.907 3.369 4.061 0.011 3 0 "[ . 1 . 2]" 1
133 1 7 PHE HB3 1 12 GLU HG2 . . 4.340 2.590 1.994 3.832 . 0 0 "[ . 1 . 2]" 1
134 1 7 PHE HB3 1 12 GLU QG . . 3.750 2.345 1.984 3.591 . 0 0 "[ . 1 . 2]" 1
135 1 7 PHE HB3 1 12 GLU HG3 . . 4.340 3.261 2.051 4.343 0.003 4 0 "[ . 1 . 2]" 1
136 1 7 PHE QD 1 11 ALA H . . 5.500 5.506 5.491 5.524 0.024 4 0 "[ . 1 . 2]" 1
137 1 7 PHE QD 1 11 ALA MB . . 3.270 2.767 2.567 2.885 . 0 0 "[ . 1 . 2]" 1
138 1 7 PHE QD 1 12 GLU H . . 4.810 4.068 3.855 4.299 . 0 0 "[ . 1 . 2]" 1
139 1 7 PHE QD 1 12 GLU HA . . 4.190 3.586 3.298 4.028 . 0 0 "[ . 1 . 2]" 1
140 1 7 PHE QD 1 12 GLU QB . . 5.470 4.898 4.462 5.185 . 0 0 "[ . 1 . 2]" 1
141 1 7 PHE QD 1 15 LEU QD . . 3.760 3.569 3.208 3.763 0.003 10 0 "[ . 1 . 2]" 1
142 1 7 PHE QD 1 78 VAL HB . . 4.050 2.789 2.420 3.077 . 0 0 "[ . 1 . 2]" 1
143 1 7 PHE QD 1 78 VAL MG1 . . 3.910 2.878 2.494 3.361 . 0 0 "[ . 1 . 2]" 1
144 1 7 PHE QD 1 78 VAL MG2 . . 4.320 2.794 2.453 3.089 . 0 0 "[ . 1 . 2]" 1
145 1 7 PHE QD 1 81 VAL HB . . 5.500 5.262 4.648 5.506 0.006 14 0 "[ . 1 . 2]" 1
146 1 7 PHE QD 1 81 VAL QG . . 4.610 3.730 3.222 4.442 . 0 0 "[ . 1 . 2]" 1
147 1 7 PHE QE 1 27 LEU MD2 . . 3.590 2.711 2.419 3.124 . 0 0 "[ . 1 . 2]" 1
148 1 7 PHE QE 1 30 LEU MD1 . . 4.160 3.025 2.803 3.213 . 0 0 "[ . 1 . 2]" 1
149 1 7 PHE QE 1 78 VAL MG1 . . 3.980 2.956 2.637 3.303 . 0 0 "[ . 1 . 2]" 1
150 1 7 PHE QE 1 78 VAL MG2 . . 4.490 2.498 2.314 2.617 . 0 0 "[ . 1 . 2]" 1
151 1 7 PHE QE 1 81 VAL QG . . 4.500 3.200 2.581 3.991 . 0 0 "[ . 1 . 2]" 1
152 1 7 PHE HZ 1 27 LEU MD2 . . 3.360 2.507 2.235 3.136 . 0 0 "[ . 1 . 2]" 1
153 1 7 PHE HZ 1 30 LEU MD1 . . 3.530 2.053 1.895 2.385 . 0 0 "[ . 1 . 2]" 1
154 1 7 PHE HZ 1 78 VAL MG1 . . 4.610 4.464 4.203 4.619 0.009 20 0 "[ . 1 . 2]" 1
155 1 8 ASP H 1 8 ASP HB2 . . 3.490 2.463 2.164 3.575 0.085 4 0 "[ . 1 . 2]" 1
156 1 8 ASP H 1 8 ASP HB3 . . 3.490 3.345 2.718 3.517 0.027 6 0 "[ . 1 . 2]" 1
157 1 8 ASP H 1 11 ALA H . . 4.590 4.234 4.029 4.427 . 0 0 "[ . 1 . 2]" 1
158 1 8 ASP H 1 11 ALA MB . . 3.540 3.040 2.789 3.327 . 0 0 "[ . 1 . 2]" 1
159 1 8 ASP H 1 77 LEU QD . . 3.710 2.777 2.280 3.439 . 0 0 "[ . 1 . 2]" 1
160 1 8 ASP H 1 78 VAL H . . 4.200 3.474 3.153 3.731 . 0 0 "[ . 1 . 2]" 1
161 1 8 ASP H 1 78 VAL HB . . 4.380 2.796 2.356 3.214 . 0 0 "[ . 1 . 2]" 1
162 1 8 ASP H 1 79 LEU HA . . 4.250 4.158 4.038 4.254 0.004 15 0 "[ . 1 . 2]" 1
163 1 8 ASP HA 1 9 PRO HD2 . . 2.930 2.522 2.447 2.545 . 0 0 "[ . 1 . 2]" 1
164 1 8 ASP HA 1 9 PRO HD3 . . 3.060 2.353 2.316 2.366 . 0 0 "[ . 1 . 2]" 1
165 1 8 ASP HA 1 9 PRO HG2 . . 4.850 4.612 4.550 4.631 . 0 0 "[ . 1 . 2]" 1
166 1 8 ASP HA 1 9 PRO QG . . 4.250 4.080 4.031 4.095 . 0 0 "[ . 1 . 2]" 1
167 1 8 ASP HA 1 9 PRO HG3 . . 4.850 4.549 4.499 4.564 . 0 0 "[ . 1 . 2]" 1
168 1 8 ASP HA 1 77 LEU QD . . 3.320 2.537 2.143 3.230 . 0 0 "[ . 1 . 2]" 1
169 1 8 ASP QB 1 9 PRO HD2 . . 4.270 1.974 1.946 1.990 . 0 0 "[ . 1 . 2]" 1
170 1 8 ASP QB 1 9 PRO HD3 . . 4.600 3.330 3.227 3.362 . 0 0 "[ . 1 . 2]" 1
171 1 8 ASP QB 1 10 ARG H . . 3.960 2.206 2.174 2.369 . 0 0 "[ . 1 . 2]" 1
172 1 8 ASP QB 1 11 ALA H . . 3.970 2.728 2.588 3.198 . 0 0 "[ . 1 . 2]" 1
173 1 8 ASP QB 1 11 ALA MB . . 3.690 2.874 2.457 3.699 0.009 4 0 "[ . 1 . 2]" 1
174 1 8 ASP QB 1 12 GLU H . . 5.340 4.162 3.952 4.715 . 0 0 "[ . 1 . 2]" 1
175 1 8 ASP QB 1 77 LEU QD . . 3.320 3.118 2.636 3.324 0.004 5 0 "[ . 1 . 2]" 1
176 1 8 ASP QB 1 77 LEU HG . . 4.510 3.832 3.411 4.511 0.001 1 0 "[ . 1 . 2]" 1
177 1 8 ASP QB 1 79 LEU HA . . 3.510 2.798 2.619 3.057 . 0 0 "[ . 1 . 2]" 1
178 1 8 ASP QB 1 79 LEU QD . . 3.440 3.361 2.910 3.446 0.006 13 0 "[ . 1 . 2]" 1
179 1 8 ASP HB2 1 10 ARG H . . 4.650 3.200 2.293 3.453 . 0 0 "[ . 1 . 2]" 1
180 1 8 ASP HB2 1 11 ALA H . . 4.840 2.979 2.894 3.291 . 0 0 "[ . 1 . 2]" 1
181 1 8 ASP HB2 1 11 ALA MB . . 4.270 2.991 2.503 4.067 . 0 0 "[ . 1 . 2]" 1
182 1 8 ASP HB2 1 79 LEU HA . . 4.040 3.042 2.668 4.044 0.004 8 0 "[ . 1 . 2]" 1
183 1 8 ASP HB3 1 10 ARG H . . 4.650 2.568 2.199 4.042 . 0 0 "[ . 1 . 2]" 1
184 1 8 ASP HB3 1 11 ALA H . . 4.840 3.259 2.917 4.354 . 0 0 "[ . 1 . 2]" 1
185 1 8 ASP HB3 1 11 ALA MB . . 4.270 3.862 3.567 4.265 . 0 0 "[ . 1 . 2]" 1
186 1 8 ASP HB3 1 79 LEU HA . . 4.040 3.776 2.935 4.042 0.002 17 0 "[ . 1 . 2]" 1
187 1 9 PRO HA 1 12 GLU H . . 4.380 4.153 4.043 4.263 . 0 0 "[ . 1 . 2]" 1
188 1 9 PRO HA 1 12 GLU QB . . 3.240 3.067 2.968 3.176 . 0 0 "[ . 1 . 2]" 1
189 1 9 PRO HA 1 12 GLU QG . . 4.290 3.770 3.413 4.297 0.007 4 0 "[ . 1 . 2]" 1
190 1 9 PRO HA 1 13 LYS H . . 5.240 4.935 4.835 5.057 . 0 0 "[ . 1 . 2]" 1
191 1 9 PRO QB 1 10 ARG H . . 3.740 3.549 3.515 3.599 . 0 0 "[ . 1 . 2]" 1
192 1 9 PRO HB2 1 10 ARG H . . 4.620 3.750 3.709 3.813 . 0 0 "[ . 1 . 2]" 1
193 1 9 PRO HB3 1 10 ARG H . . 4.620 4.383 4.358 4.418 . 0 0 "[ . 1 . 2]" 1
194 1 9 PRO HD2 1 10 ARG H . . 4.450 2.802 2.770 2.855 . 0 0 "[ . 1 . 2]" 1
195 1 9 PRO HD2 1 10 ARG QB . . 4.810 4.177 4.016 4.429 . 0 0 "[ . 1 . 2]" 1
196 1 9 PRO HD3 1 10 ARG H . . 4.150 3.925 3.909 3.953 . 0 0 "[ . 1 . 2]" 1
197 1 9 PRO QG 1 10 ARG H . . 4.500 2.917 2.854 3.015 . 0 0 "[ . 1 . 2]" 1
198 1 10 ARG H 1 10 ARG HB2 . . 3.700 2.421 2.256 3.665 . 0 0 "[ . 1 . 2]" 1
199 1 10 ARG H 1 10 ARG QB . . 2.910 2.346 2.231 2.732 . 0 0 "[ . 1 . 2]" 1
200 1 10 ARG H 1 10 ARG HB3 . . 3.700 3.554 2.819 3.663 . 0 0 "[ . 1 . 2]" 1
201 1 10 ARG H 1 10 ARG QD . . 4.700 3.826 1.973 4.444 . 0 0 "[ . 1 . 2]" 1
202 1 10 ARG H 1 10 ARG HG2 . . 4.330 3.450 1.931 4.330 . 0 0 "[ . 1 . 2]" 1
203 1 10 ARG H 1 10 ARG HG3 . . 4.330 3.526 2.782 4.115 . 0 0 "[ . 1 . 2]" 1
204 1 10 ARG H 1 11 ALA H . . 3.240 2.315 2.265 2.365 . 0 0 "[ . 1 . 2]" 1
205 1 10 ARG H 1 11 ALA MB . . 4.680 3.964 3.886 4.008 . 0 0 "[ . 1 . 2]" 1
206 1 10 ARG H 1 12 GLU H . . 4.770 3.758 3.599 3.931 . 0 0 "[ . 1 . 2]" 1
207 1 10 ARG HA 1 10 ARG QD . . 4.320 3.066 1.989 4.287 . 0 0 "[ . 1 . 2]" 1
208 1 10 ARG HA 1 10 ARG HG2 . . 4.040 2.826 2.298 3.647 . 0 0 "[ . 1 . 2]" 1
209 1 10 ARG HA 1 10 ARG QG . . 3.490 2.517 2.242 3.343 . 0 0 "[ . 1 . 2]" 1
210 1 10 ARG HA 1 10 ARG HG3 . . 4.040 3.224 2.315 3.884 . 0 0 "[ . 1 . 2]" 1
211 1 10 ARG HA 1 12 GLU H . . 5.010 4.597 4.342 4.843 . 0 0 "[ . 1 . 2]" 1
212 1 10 ARG HA 1 13 LYS H . . 4.270 3.908 3.755 3.993 . 0 0 "[ . 1 . 2]" 1
213 1 10 ARG QB 1 10 ARG QD . . 3.310 2.221 2.064 2.562 . 0 0 "[ . 1 . 2]" 1
214 1 10 ARG QB 1 11 ALA H . . 3.230 2.503 2.386 3.229 . 0 0 "[ . 1 . 2]" 1
215 1 10 ARG HB2 1 11 ALA H . . 4.040 2.592 2.436 3.509 . 0 0 "[ . 1 . 2]" 1
216 1 10 ARG HB3 1 11 ALA H . . 4.040 3.356 3.085 3.772 . 0 0 "[ . 1 . 2]" 1
217 1 10 ARG QG 1 11 ALA H . . 4.690 4.063 1.810 4.434 . 0 0 "[ . 1 . 2]" 1
218 1 11 ALA H 1 11 ALA MB . . 3.020 2.174 2.025 2.237 . 0 0 "[ . 1 . 2]" 1
219 1 11 ALA H 1 12 GLU H . . 3.140 2.732 2.670 2.823 . 0 0 "[ . 1 . 2]" 1
220 1 11 ALA HA 1 14 GLU H . . 3.720 3.154 3.024 3.297 . 0 0 "[ . 1 . 2]" 1
221 1 11 ALA HA 1 14 GLU HB2 . . 3.610 2.194 2.038 2.367 . 0 0 "[ . 1 . 2]" 1
222 1 11 ALA HA 1 14 GLU HB3 . . 3.970 3.802 3.679 3.955 . 0 0 "[ . 1 . 2]" 1
223 1 11 ALA HA 1 14 GLU HG2 . . 4.620 3.761 2.950 4.623 0.003 10 0 "[ . 1 . 2]" 1
224 1 11 ALA HA 1 14 GLU HG3 . . 4.620 2.971 2.404 3.629 . 0 0 "[ . 1 . 2]" 1
225 1 11 ALA HA 1 15 LEU H . . 4.580 3.875 3.620 4.054 . 0 0 "[ . 1 . 2]" 1
226 1 11 ALA HA 1 80 ARG HA . . 4.080 3.754 3.004 4.082 0.002 4 0 "[ . 1 . 2]" 1
227 1 11 ALA HA 1 81 VAL H . . 4.300 3.860 3.246 4.204 . 0 0 "[ . 1 . 2]" 1
228 1 11 ALA HA 1 81 VAL QG . . 4.080 3.345 2.583 3.927 . 0 0 "[ . 1 . 2]" 1
229 1 11 ALA MB 1 12 GLU H . . 3.440 2.494 2.285 2.660 . 0 0 "[ . 1 . 2]" 1
230 1 11 ALA MB 1 12 GLU HA . . 4.550 3.739 3.611 3.830 . 0 0 "[ . 1 . 2]" 1
231 1 11 ALA MB 1 14 GLU HB2 . . 4.210 3.554 3.383 3.855 . 0 0 "[ . 1 . 2]" 1
232 1 11 ALA MB 1 78 VAL MG1 . . 3.000 2.214 2.043 2.409 . 0 0 "[ . 1 . 2]" 1
233 1 11 ALA MB 1 79 LEU HA . . 3.910 3.690 3.353 3.914 0.004 4 0 "[ . 1 . 2]" 1
234 1 11 ALA MB 1 80 ARG H . . 4.320 3.900 3.545 4.145 . 0 0 "[ . 1 . 2]" 1
235 1 11 ALA MB 1 80 ARG HA . . 3.650 2.906 2.301 3.336 . 0 0 "[ . 1 . 2]" 1
236 1 11 ALA MB 1 81 VAL H . . 3.950 3.603 3.167 3.951 0.001 18 0 "[ . 1 . 2]" 1
237 1 11 ALA MB 1 81 VAL HB . . 3.550 3.035 2.271 3.480 . 0 0 "[ . 1 . 2]" 1
238 1 11 ALA MB 1 81 VAL QG . . 3.130 2.321 1.849 2.641 . 0 0 "[ . 1 . 2]" 1
239 1 12 GLU H 1 12 GLU QB . . 3.030 2.251 2.111 2.375 . 0 0 "[ . 1 . 2]" 1
240 1 12 GLU H 1 12 GLU HG2 . . 4.470 3.255 2.560 4.050 . 0 0 "[ . 1 . 2]" 1
241 1 12 GLU H 1 12 GLU QG . . 3.670 2.842 2.463 3.720 0.050 7 0 "[ . 1 . 2]" 1
242 1 12 GLU H 1 12 GLU HG3 . . 4.470 3.498 2.511 4.361 . 0 0 "[ . 1 . 2]" 1
243 1 12 GLU H 1 13 LYS H . . 3.330 2.981 2.849 3.087 . 0 0 "[ . 1 . 2]" 1
244 1 12 GLU HA 1 12 GLU HG2 . . 3.910 2.391 2.171 2.689 . 0 0 "[ . 1 . 2]" 1
245 1 12 GLU HA 1 12 GLU HG3 . . 3.910 3.391 2.767 3.659 . 0 0 "[ . 1 . 2]" 1
246 1 12 GLU HA 1 15 LEU H . . 4.050 3.883 3.660 4.058 0.008 8 0 "[ . 1 . 2]" 1
247 1 12 GLU HA 1 15 LEU QB . . 3.310 3.163 2.782 3.310 0.000 17 0 "[ . 1 . 2]" 1
248 1 12 GLU HA 1 15 LEU QD . . 4.470 3.654 3.285 4.392 . 0 0 "[ . 1 . 2]" 1
249 1 12 GLU QB 1 13 LYS H . . 3.420 2.547 2.356 2.708 . 0 0 "[ . 1 . 2]" 1
250 1 12 GLU QG 1 13 LYS H . . 5.090 4.311 4.239 4.416 . 0 0 "[ . 1 . 2]" 1
251 1 13 LYS H 1 13 LYS QB . . 2.810 2.327 2.163 2.556 . 0 0 "[ . 1 . 2]" 1
252 1 13 LYS H 1 13 LYS HG2 . . 3.870 2.624 2.089 3.222 . 0 0 "[ . 1 . 2]" 1
253 1 13 LYS H 1 13 LYS QG . . 3.400 2.530 2.072 3.018 . 0 0 "[ . 1 . 2]" 1
254 1 13 LYS H 1 13 LYS HG3 . . 3.870 3.532 2.663 3.863 . 0 0 "[ . 1 . 2]" 1
255 1 13 LYS H 1 14 GLU H . . 3.260 2.561 2.467 2.670 . 0 0 "[ . 1 . 2]" 1
256 1 13 LYS HA 1 13 LYS QD . . 3.590 2.439 2.050 3.622 0.032 10 0 "[ . 1 . 2]" 1
257 1 13 LYS HA 1 13 LYS QE . . 4.390 3.801 1.975 4.394 0.004 10 0 "[ . 1 . 2]" 1
258 1 13 LYS HA 1 13 LYS HG2 . . 3.840 2.667 2.297 3.056 . 0 0 "[ . 1 . 2]" 1
259 1 13 LYS HA 1 13 LYS QG . . 3.340 2.608 2.260 2.947 . 0 0 "[ . 1 . 2]" 1
260 1 13 LYS HA 1 13 LYS HG3 . . 3.840 3.712 3.356 3.865 0.025 8 0 "[ . 1 . 2]" 1
261 1 13 LYS HA 1 16 GLU QB . . 3.280 2.509 2.070 3.221 . 0 0 "[ . 1 . 2]" 1
262 1 13 LYS HA 1 16 GLU QG . . 3.980 3.262 2.015 3.976 . 0 0 "[ . 1 . 2]" 1
263 1 13 LYS QB 1 14 GLU H . . 3.360 2.516 2.394 2.620 . 0 0 "[ . 1 . 2]" 1
264 1 13 LYS HB2 1 14 GLU H . . 4.090 2.592 2.427 2.769 . 0 0 "[ . 1 . 2]" 1
265 1 13 LYS HB3 1 14 GLU H . . 4.090 3.450 3.211 3.668 . 0 0 "[ . 1 . 2]" 1
266 1 14 GLU H 1 14 GLU HB2 . . 3.580 2.468 2.287 2.544 . 0 0 "[ . 1 . 2]" 1
267 1 14 GLU H 1 14 GLU HB3 . . 3.750 3.584 3.547 3.594 . 0 0 "[ . 1 . 2]" 1
268 1 14 GLU H 1 14 GLU HG2 . . 3.590 2.659 2.088 3.547 . 0 0 "[ . 1 . 2]" 1
269 1 14 GLU H 1 14 GLU HG3 . . 3.590 3.034 2.108 3.581 . 0 0 "[ . 1 . 2]" 1
270 1 14 GLU H 1 15 LEU H . . 3.360 2.737 2.606 2.931 . 0 0 "[ . 1 . 2]" 1
271 1 14 GLU H 1 15 LEU QB . . 4.810 4.489 4.348 4.649 . 0 0 "[ . 1 . 2]" 1
272 1 14 GLU HA 1 14 GLU HG2 . . 3.860 2.680 2.279 3.036 . 0 0 "[ . 1 . 2]" 1
273 1 14 GLU HA 1 14 GLU QG . . 3.080 2.590 2.237 2.914 . 0 0 "[ . 1 . 2]" 1
274 1 14 GLU HA 1 14 GLU HG3 . . 3.860 3.508 2.883 3.799 . 0 0 "[ . 1 . 2]" 1
275 1 14 GLU HA 1 17 LYS H . . 4.330 3.907 3.563 4.125 . 0 0 "[ . 1 . 2]" 1
276 1 14 GLU HA 1 17 LYS QB . . 4.160 3.242 2.592 3.913 . 0 0 "[ . 1 . 2]" 1
277 1 14 GLU HA 1 17 LYS QD . . 4.640 3.571 2.294 4.614 . 0 0 "[ . 1 . 2]" 1
278 1 14 GLU HB2 1 15 LEU H . . 3.590 2.797 2.421 3.041 . 0 0 "[ . 1 . 2]" 1
279 1 14 GLU HB2 1 81 VAL H . . 4.580 3.794 3.114 4.180 . 0 0 "[ . 1 . 2]" 1
280 1 14 GLU HB2 1 81 VAL HB . . 4.160 3.574 3.120 4.186 0.026 19 0 "[ . 1 . 2]" 1
281 1 14 GLU HB2 1 81 VAL MG1 . . 4.500 3.482 1.816 4.502 0.002 2 0 "[ . 1 . 2]" 1
282 1 14 GLU HB2 1 81 VAL QG . . 3.930 3.166 1.815 3.934 0.004 2 0 "[ . 1 . 2]" 1
283 1 14 GLU HB2 1 81 VAL MG2 . . 4.500 4.338 4.209 4.501 0.001 4 0 "[ . 1 . 2]" 1
284 1 14 GLU HB3 1 15 LEU H . . 4.110 3.713 3.243 3.941 . 0 0 "[ . 1 . 2]" 1
285 1 14 GLU HB3 1 81 VAL QG . . 4.450 3.319 1.938 4.275 . 0 0 "[ . 1 . 2]" 1
286 1 14 GLU QG 1 15 LEU H . . 4.640 4.150 3.976 4.367 . 0 0 "[ . 1 . 2]" 1
287 1 15 LEU H 1 15 LEU QB . . 2.800 2.224 2.160 2.291 . 0 0 "[ . 1 . 2]" 1
288 1 15 LEU H 1 15 LEU MD1 . . 4.710 4.197 3.847 4.406 . 0 0 "[ . 1 . 2]" 1
289 1 15 LEU H 1 15 LEU QD . . 4.020 3.595 3.422 3.741 . 0 0 "[ . 1 . 2]" 1
290 1 15 LEU H 1 15 LEU MD2 . . 4.710 3.964 3.589 4.297 . 0 0 "[ . 1 . 2]" 1
291 1 15 LEU H 1 15 LEU HG . . 4.590 4.524 4.456 4.627 0.037 10 0 "[ . 1 . 2]" 1
292 1 15 LEU H 1 16 GLU H . . 3.330 2.519 2.262 2.720 . 0 0 "[ . 1 . 2]" 1
293 1 15 LEU H 1 16 GLU QB . . 4.610 4.282 4.050 4.515 . 0 0 "[ . 1 . 2]" 1
294 1 15 LEU H 1 17 LYS H . . 4.510 3.897 3.675 4.179 . 0 0 "[ . 1 . 2]" 1
295 1 15 LEU H 1 18 LEU MD1 . . 5.130 4.423 3.958 4.782 . 0 0 "[ . 1 . 2]" 1
296 1 15 LEU H 1 81 VAL MG1 . . 4.760 3.699 2.507 4.533 . 0 0 "[ . 1 . 2]" 1
297 1 15 LEU H 1 81 VAL QG . . 4.150 3.475 2.484 4.133 . 0 0 "[ . 1 . 2]" 1
298 1 15 LEU H 1 81 VAL MG2 . . 4.760 4.499 4.064 4.776 0.016 15 0 "[ . 1 . 2]" 1
299 1 15 LEU HA 1 15 LEU MD1 . . 3.820 3.066 2.041 3.783 . 0 0 "[ . 1 . 2]" 1
300 1 15 LEU HA 1 15 LEU QD . . 3.280 2.763 2.033 3.198 . 0 0 "[ . 1 . 2]" 1
301 1 15 LEU HA 1 15 LEU MD2 . . 3.820 3.497 2.165 3.921 0.101 20 0 "[ . 1 . 2]" 1
302 1 15 LEU HA 1 15 LEU HG . . 3.980 2.815 2.548 3.782 . 0 0 "[ . 1 . 2]" 1
303 1 15 LEU HA 1 18 LEU H . . 3.900 3.313 3.019 3.569 . 0 0 "[ . 1 . 2]" 1
304 1 15 LEU HA 1 18 LEU HB2 . . 4.460 3.200 2.599 3.577 . 0 0 "[ . 1 . 2]" 1
305 1 15 LEU HA 1 18 LEU MD1 . . 3.290 2.098 1.883 2.363 . 0 0 "[ . 1 . 2]" 1
306 1 15 LEU HA 1 18 LEU HG . . 3.390 2.872 2.574 3.363 . 0 0 "[ . 1 . 2]" 1
307 1 15 LEU HA 1 23 ALA MB . . 4.830 4.453 3.865 4.810 . 0 0 "[ . 1 . 2]" 1
308 1 15 LEU HA 1 81 VAL MG1 . . 4.590 2.772 2.476 3.007 . 0 0 "[ . 1 . 2]" 1
309 1 15 LEU HA 1 81 VAL QG . . 3.690 2.695 2.285 2.969 . 0 0 "[ . 1 . 2]" 1
310 1 15 LEU HA 1 81 VAL MG2 . . 4.590 4.015 2.681 4.608 0.018 15 0 "[ . 1 . 2]" 1
311 1 15 LEU QB 1 16 GLU H . . 3.190 2.460 2.141 2.820 . 0 0 "[ . 1 . 2]" 1
312 1 15 LEU QB 1 16 GLU HA . . 4.330 4.110 3.813 4.335 0.005 3 0 "[ . 1 . 2]" 1
313 1 15 LEU QB 1 16 GLU QG . . 4.730 3.880 3.400 4.732 0.002 6 0 "[ . 1 . 2]" 1
314 1 15 LEU QB 1 23 ALA MB . . 4.630 4.166 3.568 4.505 . 0 0 "[ . 1 . 2]" 1
315 1 15 LEU QB 1 81 VAL MG1 . . 3.340 2.578 2.014 3.312 . 0 0 "[ . 1 . 2]" 1
316 1 15 LEU QB 1 81 VAL MG2 . . 3.340 2.873 2.195 3.327 . 0 0 "[ . 1 . 2]" 1
317 1 15 LEU QD 1 16 GLU H . . 4.720 3.010 2.195 4.205 . 0 0 "[ . 1 . 2]" 1
318 1 15 LEU QD 1 23 ALA H . . 5.050 4.356 3.657 4.805 . 0 0 "[ . 1 . 2]" 1
319 1 15 LEU QD 1 23 ALA MB . . 3.140 2.137 1.754 2.891 . 0 0 "[ . 1 . 2]" 1
320 1 15 LEU MD1 1 23 ALA HA . . 3.710 2.802 1.954 3.343 . 0 0 "[ . 1 . 2]" 1
321 1 15 LEU MD1 1 23 ALA MB . . 3.660 3.229 1.816 3.589 . 0 0 "[ . 1 . 2]" 1
322 1 15 LEU MD2 1 23 ALA HA . . 3.710 3.044 2.742 3.563 . 0 0 "[ . 1 . 2]" 1
323 1 15 LEU MD2 1 23 ALA MB . . 3.660 2.362 1.760 3.663 0.003 2 0 "[ . 1 . 2]" 1
324 1 16 GLU H 1 16 GLU QB . . 2.890 2.247 2.174 2.350 . 0 0 "[ . 1 . 2]" 1
325 1 16 GLU H 1 16 GLU HG2 . . 3.960 3.187 2.451 3.829 . 0 0 "[ . 1 . 2]" 1
326 1 16 GLU H 1 16 GLU QG . . 3.350 2.653 2.416 2.845 . 0 0 "[ . 1 . 2]" 1
327 1 16 GLU H 1 16 GLU HG3 . . 3.960 3.241 2.444 3.937 . 0 0 "[ . 1 . 2]" 1
328 1 16 GLU H 1 17 LYS H . . 3.210 2.761 2.548 2.875 . 0 0 "[ . 1 . 2]" 1
329 1 16 GLU H 1 18 LEU H . . 4.720 4.245 3.979 4.401 . 0 0 "[ . 1 . 2]" 1
330 1 16 GLU HA 1 16 GLU HG2 . . 3.900 2.657 2.175 3.848 . 0 0 "[ . 1 . 2]" 1
331 1 16 GLU HA 1 16 GLU QG . . 3.390 2.507 2.136 3.300 . 0 0 "[ . 1 . 2]" 1
332 1 16 GLU HA 1 16 GLU HG3 . . 3.900 3.298 2.627 3.703 . 0 0 "[ . 1 . 2]" 1
333 1 16 GLU HA 1 18 LEU H . . 4.400 4.199 3.883 4.383 . 0 0 "[ . 1 . 2]" 1
334 1 16 GLU QB 1 17 LYS H . . 3.920 2.893 2.625 3.494 . 0 0 "[ . 1 . 2]" 1
335 1 17 LYS H 1 17 LYS HB2 . . 3.730 2.732 2.180 3.597 . 0 0 "[ . 1 . 2]" 1
336 1 17 LYS H 1 17 LYS QB . . 2.930 2.246 2.153 2.411 . 0 0 "[ . 1 . 2]" 1
337 1 17 LYS H 1 17 LYS HB3 . . 3.730 3.044 2.190 3.568 . 0 0 "[ . 1 . 2]" 1
338 1 17 LYS H 1 17 LYS QD . . 4.630 4.008 3.355 4.575 . 0 0 "[ . 1 . 2]" 1
339 1 17 LYS H 1 17 LYS HG2 . . 4.420 3.728 3.344 4.208 . 0 0 "[ . 1 . 2]" 1
340 1 17 LYS H 1 17 LYS QG . . 3.580 2.758 2.311 3.667 0.087 9 0 "[ . 1 . 2]" 1
341 1 17 LYS H 1 17 LYS HG3 . . 4.420 2.889 2.356 4.374 . 0 0 "[ . 1 . 2]" 1
342 1 17 LYS HA 1 17 LYS QD . . 3.970 3.797 3.491 3.980 0.010 5 0 "[ . 1 . 2]" 1
343 1 17 LYS HA 1 17 LYS HG2 . . 4.250 3.129 2.163 4.238 . 0 0 "[ . 1 . 2]" 1
344 1 17 LYS HA 1 17 LYS QG . . 3.450 2.658 2.126 3.440 . 0 0 "[ . 1 . 2]" 1
345 1 17 LYS HA 1 17 LYS HG3 . . 4.250 3.065 2.379 3.640 . 0 0 "[ . 1 . 2]" 1
346 1 17 LYS QB 1 18 LEU H . . 3.630 2.987 2.595 3.628 . 0 0 "[ . 1 . 2]" 1
347 1 17 LYS HB2 1 18 LEU H . . 4.370 3.344 2.672 4.284 . 0 0 "[ . 1 . 2]" 1
348 1 17 LYS HB3 1 18 LEU H . . 4.370 3.535 3.151 3.998 . 0 0 "[ . 1 . 2]" 1
349 1 17 LYS QD 1 18 LEU H . . 5.100 4.342 2.687 5.072 . 0 0 "[ . 1 . 2]" 1
350 1 17 LYS QG 1 18 LEU H . . 4.830 3.572 1.951 4.413 . 0 0 "[ . 1 . 2]" 1
351 1 18 LEU H 1 18 LEU HB2 . . 3.020 2.428 2.257 2.596 . 0 0 "[ . 1 . 2]" 1
352 1 18 LEU H 1 18 LEU HB3 . . 3.690 3.575 3.536 3.589 . 0 0 "[ . 1 . 2]" 1
353 1 18 LEU H 1 18 LEU MD1 . . 3.750 3.478 3.342 3.752 0.002 11 0 "[ . 1 . 2]" 1
354 1 18 LEU H 1 18 LEU MD2 . . 3.770 3.603 3.366 3.772 0.002 9 0 "[ . 1 . 2]" 1
355 1 18 LEU H 1 18 LEU HG . . 2.960 2.358 2.036 2.755 . 0 0 "[ . 1 . 2]" 1
356 1 18 LEU H 1 19 ASP H . . 4.620 4.608 4.576 4.632 0.012 9 0 "[ . 1 . 2]" 1
357 1 18 LEU H 1 23 ALA MB . . 4.990 4.480 4.058 4.758 . 0 0 "[ . 1 . 2]" 1
358 1 18 LEU HA 1 18 LEU MD1 . . 4.160 3.887 3.833 3.939 . 0 0 "[ . 1 . 2]" 1
359 1 18 LEU HA 1 18 LEU MD2 . . 2.860 2.184 1.985 2.396 . 0 0 "[ . 1 . 2]" 1
360 1 18 LEU HA 1 18 LEU HG . . 3.660 2.910 2.798 3.081 . 0 0 "[ . 1 . 2]" 1
361 1 18 LEU HA 1 19 ASP H . . 2.950 2.501 2.414 2.575 . 0 0 "[ . 1 . 2]" 1
362 1 18 LEU HB2 1 18 LEU MD1 . . 3.110 2.158 2.070 2.350 . 0 0 "[ . 1 . 2]" 1
363 1 18 LEU HB2 1 19 ASP H . . 3.810 3.497 3.283 3.754 . 0 0 "[ . 1 . 2]" 1
364 1 18 LEU HB2 1 22 VAL MG1 . . 4.300 3.694 3.066 4.227 . 0 0 "[ . 1 . 2]" 1
365 1 18 LEU HB3 1 18 LEU MD1 . . 3.180 2.500 2.317 2.593 . 0 0 "[ . 1 . 2]" 1
366 1 18 LEU HB3 1 18 LEU MD2 . . 3.070 2.245 2.116 2.346 . 0 0 "[ . 1 . 2]" 1
367 1 18 LEU HB3 1 19 ASP H . . 3.540 2.201 2.055 2.394 . 0 0 "[ . 1 . 2]" 1
368 1 18 LEU HB3 1 22 VAL HB . . 3.840 2.964 2.636 3.332 . 0 0 "[ . 1 . 2]" 1
369 1 18 LEU HB3 1 22 VAL MG1 . . 3.600 2.901 2.422 3.314 . 0 0 "[ . 1 . 2]" 1
370 1 18 LEU MD1 1 19 ASP H . . 4.470 4.325 4.182 4.452 . 0 0 "[ . 1 . 2]" 1
371 1 18 LEU MD1 1 22 VAL MG1 . . 3.110 2.677 2.098 3.080 . 0 0 "[ . 1 . 2]" 1
372 1 18 LEU MD1 1 23 ALA HA . . 3.950 3.772 3.298 3.952 0.002 8 0 "[ . 1 . 2]" 1
373 1 18 LEU MD1 1 23 ALA MB . . 4.080 3.901 3.209 4.077 . 0 0 "[ . 1 . 2]" 1
374 1 18 LEU MD1 1 26 ILE MD . . 3.480 2.543 2.128 2.778 . 0 0 "[ . 1 . 2]" 1
375 1 18 LEU MD1 1 63 TYR QD . . 4.330 2.807 2.550 3.248 . 0 0 "[ . 1 . 2]" 1
376 1 18 LEU MD1 1 63 TYR QE . . 4.090 3.153 2.787 3.733 . 0 0 "[ . 1 . 2]" 1
377 1 18 LEU MD1 1 81 VAL QG . . 3.210 2.109 1.882 2.423 . 0 0 "[ . 1 . 2]" 1
378 1 18 LEU MD2 1 19 ASP H . . 3.720 3.052 2.712 3.474 . 0 0 "[ . 1 . 2]" 1
379 1 18 LEU MD2 1 22 VAL MG1 . . 3.520 3.307 2.847 3.523 0.003 4 0 "[ . 1 . 2]" 1
380 1 18 LEU MD2 1 63 TYR QD . . 3.270 3.115 2.806 3.272 0.002 4 0 "[ . 1 . 2]" 1
381 1 18 LEU MD2 1 63 TYR QE . . 3.400 2.171 1.974 2.405 . 0 0 "[ . 1 . 2]" 1
382 1 19 ASP H 1 19 ASP HB2 . . 3.280 2.288 2.181 2.601 . 0 0 "[ . 1 . 2]" 1
383 1 19 ASP H 1 19 ASP HB3 . . 3.280 2.818 2.465 2.964 . 0 0 "[ . 1 . 2]" 1
384 1 19 ASP H 1 20 ARG H . . 5.120 4.602 4.476 4.649 . 0 0 "[ . 1 . 2]" 1
385 1 19 ASP H 1 22 VAL MG2 . . 3.910 3.301 2.877 3.810 . 0 0 "[ . 1 . 2]" 1
386 1 19 ASP HA 1 20 ARG H . . 2.890 2.270 2.139 2.421 . 0 0 "[ . 1 . 2]" 1
387 1 19 ASP HA 1 20 ARG HA . . 4.540 4.321 4.300 4.379 . 0 0 "[ . 1 . 2]" 1
388 1 19 ASP HA 1 20 ARG QB . . 4.820 4.301 4.043 4.585 . 0 0 "[ . 1 . 2]" 1
389 1 19 ASP HA 1 21 GLU H . . 4.740 4.382 3.859 4.720 . 0 0 "[ . 1 . 2]" 1
390 1 19 ASP HA 1 22 VAL HB . . 5.500 4.615 4.315 4.808 . 0 0 "[ . 1 . 2]" 1
391 1 19 ASP QB 1 20 ARG H . . 3.990 3.438 3.061 3.832 . 0 0 "[ . 1 . 2]" 1
392 1 19 ASP QB 1 21 GLU H . . 4.140 3.506 2.943 3.939 . 0 0 "[ . 1 . 2]" 1
393 1 19 ASP QB 1 22 VAL H . . 3.530 2.310 2.085 2.628 . 0 0 "[ . 1 . 2]" 1
394 1 19 ASP QB 1 22 VAL HB . . 3.360 2.521 2.177 2.873 . 0 0 "[ . 1 . 2]" 1
395 1 19 ASP QB 1 22 VAL MG1 . . 4.530 3.771 3.547 4.002 . 0 0 "[ . 1 . 2]" 1
396 1 19 ASP QB 1 22 VAL MG2 . . 3.010 1.964 1.788 2.131 . 0 0 "[ . 1 . 2]" 1
397 1 19 ASP HB2 1 20 ARG H . . 4.540 4.149 3.698 4.437 . 0 0 "[ . 1 . 2]" 1
398 1 19 ASP HB2 1 22 VAL H . . 4.210 4.052 3.840 4.202 . 0 0 "[ . 1 . 2]" 1
399 1 19 ASP HB2 1 22 VAL HB . . 4.030 3.726 3.332 4.033 0.003 14 0 "[ . 1 . 2]" 1
400 1 19 ASP HB2 1 22 VAL MG2 . . 3.580 2.782 2.425 3.169 . 0 0 "[ . 1 . 2]" 1
401 1 19 ASP HB3 1 20 ARG H . . 4.540 3.681 3.186 4.213 . 0 0 "[ . 1 . 2]" 1
402 1 19 ASP HB3 1 22 VAL H . . 4.210 2.324 2.094 2.655 . 0 0 "[ . 1 . 2]" 1
403 1 19 ASP HB3 1 22 VAL HB . . 4.030 2.567 2.193 2.948 . 0 0 "[ . 1 . 2]" 1
404 1 19 ASP HB3 1 22 VAL MG2 . . 3.580 2.012 1.830 2.204 . 0 0 "[ . 1 . 2]" 1
405 1 20 ARG H 1 20 ARG HB2 . . 3.840 2.405 2.161 2.703 . 0 0 "[ . 1 . 2]" 1
406 1 20 ARG H 1 20 ARG QB . . 3.130 2.285 2.117 2.522 . 0 0 "[ . 1 . 2]" 1
407 1 20 ARG H 1 20 ARG HB3 . . 3.840 3.243 2.369 3.619 . 0 0 "[ . 1 . 2]" 1
408 1 20 ARG H 1 20 ARG QG . . 3.950 3.068 2.004 4.002 0.052 20 0 "[ . 1 . 2]" 1
409 1 20 ARG H 1 21 GLU H . . 3.890 2.819 2.478 3.140 . 0 0 "[ . 1 . 2]" 1
410 1 20 ARG H 1 23 ALA H . . 5.500 4.801 4.633 4.950 . 0 0 "[ . 1 . 2]" 1
411 1 20 ARG HA 1 20 ARG QD . . 4.050 2.945 2.059 4.028 . 0 0 "[ . 1 . 2]" 1
412 1 20 ARG HA 1 20 ARG HG2 . . 3.970 3.044 2.181 3.884 . 0 0 "[ . 1 . 2]" 1
413 1 20 ARG HA 1 20 ARG HG3 . . 3.970 3.043 2.236 3.812 . 0 0 "[ . 1 . 2]" 1
414 1 20 ARG HA 1 22 VAL H . . 4.820 4.567 4.129 4.778 . 0 0 "[ . 1 . 2]" 1
415 1 20 ARG HA 1 23 ALA H . . 3.870 3.742 3.380 3.871 0.001 5 0 "[ . 1 . 2]" 1
416 1 20 ARG HA 1 23 ALA MB . . 3.080 2.826 2.584 3.046 . 0 0 "[ . 1 . 2]" 1
417 1 20 ARG HA 1 24 ARG H . . 4.450 4.168 3.737 4.384 . 0 0 "[ . 1 . 2]" 1
418 1 20 ARG HB2 1 21 GLU H . . 3.810 2.963 2.248 3.813 0.003 4 0 "[ . 1 . 2]" 1
419 1 20 ARG HB3 1 21 GLU H . . 3.810 3.001 2.184 3.810 0.000 17 0 "[ . 1 . 2]" 1
420 1 21 GLU H 1 21 GLU QB . . 2.920 2.255 2.131 2.546 . 0 0 "[ . 1 . 2]" 1
421 1 21 GLU H 1 21 GLU QG . . 3.900 3.228 1.979 3.932 0.032 5 0 "[ . 1 . 2]" 1
422 1 21 GLU H 1 22 VAL H . . 3.130 2.746 2.427 2.942 . 0 0 "[ . 1 . 2]" 1
423 1 21 GLU H 1 22 VAL MG2 . . 4.500 4.242 4.032 4.498 . 0 0 "[ . 1 . 2]" 1
424 1 21 GLU H 1 23 ALA H . . 4.550 4.387 4.128 4.542 . 0 0 "[ . 1 . 2]" 1
425 1 21 GLU HA 1 21 GLU QG . . 3.540 2.387 2.148 2.856 . 0 0 "[ . 1 . 2]" 1
426 1 21 GLU HA 1 24 ARG H . . 4.050 3.803 3.662 3.971 . 0 0 "[ . 1 . 2]" 1
427 1 21 GLU HA 1 24 ARG QB . . 3.700 3.097 2.749 3.706 0.006 20 0 "[ . 1 . 2]" 1
428 1 21 GLU HA 1 24 ARG QD . . 3.990 3.271 2.067 3.869 . 0 0 "[ . 1 . 2]" 1
429 1 21 GLU HA 1 25 ARG H . . 4.560 4.171 3.787 4.455 . 0 0 "[ . 1 . 2]" 1
430 1 21 GLU QB 1 22 VAL H . . 2.980 2.509 2.274 2.812 . 0 0 "[ . 1 . 2]" 1
431 1 21 GLU QB 1 22 VAL HA . . 4.640 3.915 3.793 4.374 . 0 0 "[ . 1 . 2]" 1
432 1 21 GLU QB 1 22 VAL MG2 . . 4.130 3.135 2.926 3.517 . 0 0 "[ . 1 . 2]" 1
433 1 21 GLU QG 1 22 VAL H . . 4.540 4.030 3.349 4.474 . 0 0 "[ . 1 . 2]" 1
434 1 21 GLU QG 1 22 VAL MG2 . . 5.020 4.526 3.243 5.021 0.001 10 0 "[ . 1 . 2]" 1
435 1 21 GLU QG 1 24 ARG QD . . 4.620 4.178 2.874 4.613 . 0 0 "[ . 1 . 2]" 1
436 1 22 VAL H 1 22 VAL HB . . 3.220 2.514 2.342 2.628 . 0 0 "[ . 1 . 2]" 1
437 1 22 VAL H 1 22 VAL MG1 . . 3.990 3.755 3.712 3.767 . 0 0 "[ . 1 . 2]" 1
438 1 22 VAL H 1 22 VAL MG2 . . 3.090 2.160 1.897 2.505 . 0 0 "[ . 1 . 2]" 1
439 1 22 VAL H 1 23 ALA H . . 3.070 2.794 2.564 2.953 . 0 0 "[ . 1 . 2]" 1
440 1 22 VAL H 1 23 ALA MB . . 4.480 4.327 4.146 4.445 . 0 0 "[ . 1 . 2]" 1
441 1 22 VAL H 1 24 ARG H . . 4.540 4.350 4.069 4.541 0.001 9 0 "[ . 1 . 2]" 1
442 1 22 VAL H 1 25 ARG H . . 5.080 4.738 4.581 4.906 . 0 0 "[ . 1 . 2]" 1
443 1 22 VAL HA 1 22 VAL MG1 . . 3.170 2.419 2.301 2.504 . 0 0 "[ . 1 . 2]" 1
444 1 22 VAL HA 1 22 VAL MG2 . . 3.000 2.364 2.203 2.451 . 0 0 "[ . 1 . 2]" 1
445 1 22 VAL HA 1 24 ARG H . . 4.770 4.605 4.338 4.744 . 0 0 "[ . 1 . 2]" 1
446 1 22 VAL HA 1 25 ARG H . . 3.900 3.507 3.322 3.789 . 0 0 "[ . 1 . 2]" 1
447 1 22 VAL HA 1 25 ARG HB2 . . 3.890 3.625 3.265 3.896 0.006 20 0 "[ . 1 . 2]" 1
448 1 22 VAL HA 1 25 ARG HB3 . . 3.430 2.534 2.312 2.761 . 0 0 "[ . 1 . 2]" 1
449 1 22 VAL HA 1 25 ARG QD . . 4.160 3.465 2.802 4.170 0.010 14 0 "[ . 1 . 2]" 1
450 1 22 VAL HA 1 25 ARG QG . . 4.740 4.246 3.944 4.551 . 0 0 "[ . 1 . 2]" 1
451 1 22 VAL HA 1 26 ILE H . . 4.920 4.153 3.922 4.405 . 0 0 "[ . 1 . 2]" 1
452 1 22 VAL HB 1 23 ALA H . . 3.150 2.396 2.263 2.657 . 0 0 "[ . 1 . 2]" 1
453 1 22 VAL MG1 1 23 ALA H . . 3.700 3.199 2.897 3.562 . 0 0 "[ . 1 . 2]" 1
454 1 22 VAL MG1 1 23 ALA HA . . 4.140 3.345 3.025 3.644 . 0 0 "[ . 1 . 2]" 1
455 1 22 VAL MG1 1 26 ILE HG13 . . 3.750 2.665 2.308 3.029 . 0 0 "[ . 1 . 2]" 1
456 1 22 VAL MG1 1 63 TYR HB3 . . 5.130 4.106 3.698 4.717 . 0 0 "[ . 1 . 2]" 1
457 1 22 VAL MG1 1 63 TYR QD . . 4.200 3.088 2.759 3.428 . 0 0 "[ . 1 . 2]" 1
458 1 22 VAL MG1 1 63 TYR QE . . 3.620 2.667 2.394 3.087 . 0 0 "[ . 1 . 2]" 1
459 1 22 VAL MG2 1 23 ALA H . . 4.400 3.786 3.685 3.927 . 0 0 "[ . 1 . 2]" 1
460 1 22 VAL MG2 1 63 TYR QE . . 3.770 2.948 2.514 3.444 . 0 0 "[ . 1 . 2]" 1
461 1 23 ALA H 1 23 ALA MB . . 2.860 2.115 2.024 2.222 . 0 0 "[ . 1 . 2]" 1
462 1 23 ALA H 1 24 ARG H . . 3.290 2.911 2.683 3.071 . 0 0 "[ . 1 . 2]" 1
463 1 23 ALA H 1 24 ARG QB . . 5.330 4.703 4.455 4.936 . 0 0 "[ . 1 . 2]" 1
464 1 23 ALA H 1 25 ARG H . . 4.680 4.254 4.003 4.405 . 0 0 "[ . 1 . 2]" 1
465 1 23 ALA H 1 25 ARG HB3 . . 5.500 5.018 4.845 5.169 . 0 0 "[ . 1 . 2]" 1
466 1 23 ALA HA 1 25 ARG H . . 4.710 4.559 4.289 4.718 0.008 20 0 "[ . 1 . 2]" 1
467 1 23 ALA HA 1 26 ILE HB . . 3.360 3.053 2.796 3.262 . 0 0 "[ . 1 . 2]" 1
468 1 23 ALA HA 1 26 ILE MD . . 3.490 2.593 2.184 2.933 . 0 0 "[ . 1 . 2]" 1
469 1 23 ALA HA 1 26 ILE HG13 . . 4.120 3.794 3.180 4.087 . 0 0 "[ . 1 . 2]" 1
470 1 23 ALA HA 1 26 ILE MG . . 4.710 4.317 4.054 4.542 . 0 0 "[ . 1 . 2]" 1
471 1 23 ALA HA 1 27 LEU H . . 4.630 4.173 3.991 4.350 . 0 0 "[ . 1 . 2]" 1
472 1 23 ALA MB 1 24 ARG H . . 3.220 2.448 2.253 2.693 . 0 0 "[ . 1 . 2]" 1
473 1 23 ALA MB 1 24 ARG HA . . 4.320 3.705 3.631 3.795 . 0 0 "[ . 1 . 2]" 1
474 1 23 ALA MB 1 24 ARG HB2 . . 5.230 4.267 3.872 5.147 . 0 0 "[ . 1 . 2]" 1
475 1 23 ALA MB 1 24 ARG QB . . 4.530 3.890 3.669 4.168 . 0 0 "[ . 1 . 2]" 1
476 1 23 ALA MB 1 24 ARG HB3 . . 5.230 4.702 3.844 5.231 0.001 13 0 "[ . 1 . 2]" 1
477 1 23 ALA MB 1 26 ILE MD . . 4.070 3.867 3.590 4.071 0.001 11 0 "[ . 1 . 2]" 1
478 1 23 ALA MB 1 27 LEU MD1 . . 3.910 3.331 2.901 3.632 . 0 0 "[ . 1 . 2]" 1
479 1 24 ARG H 1 24 ARG HB2 . . 3.550 2.600 2.196 3.587 0.037 6 0 "[ . 1 . 2]" 1
480 1 24 ARG H 1 24 ARG QB . . 2.780 2.260 2.174 2.429 . 0 0 "[ . 1 . 2]" 1
481 1 24 ARG H 1 24 ARG HB3 . . 3.550 2.891 2.207 3.575 0.025 2 0 "[ . 1 . 2]" 1
482 1 24 ARG H 1 24 ARG QD . . 4.460 3.986 2.538 4.462 0.002 8 0 "[ . 1 . 2]" 1
483 1 24 ARG H 1 24 ARG HG2 . . 4.640 3.896 2.224 4.455 . 0 0 "[ . 1 . 2]" 1
484 1 24 ARG H 1 24 ARG QG . . 3.970 3.223 2.199 3.977 0.007 15 0 "[ . 1 . 2]" 1
485 1 24 ARG H 1 24 ARG HG3 . . 4.640 3.671 2.366 4.577 . 0 0 "[ . 1 . 2]" 1
486 1 24 ARG H 1 25 ARG H . . 3.380 2.723 2.601 2.791 . 0 0 "[ . 1 . 2]" 1
487 1 24 ARG H 1 26 ILE H . . 4.400 4.232 4.138 4.377 . 0 0 "[ . 1 . 2]" 1
488 1 24 ARG HA 1 24 ARG QD . . 4.320 4.098 3.554 4.383 0.063 20 0 "[ . 1 . 2]" 1
489 1 24 ARG HA 1 24 ARG HG2 . . 4.050 2.946 2.332 3.857 . 0 0 "[ . 1 . 2]" 1
490 1 24 ARG HA 1 24 ARG QG . . 3.400 2.559 2.177 3.343 . 0 0 "[ . 1 . 2]" 1
491 1 24 ARG HA 1 24 ARG HG3 . . 4.050 2.894 2.198 3.748 . 0 0 "[ . 1 . 2]" 1
492 1 24 ARG HA 1 27 LEU H . . 3.920 3.791 3.681 3.884 . 0 0 "[ . 1 . 2]" 1
493 1 24 ARG HA 1 27 LEU HB2 . . 3.690 2.964 2.819 3.108 . 0 0 "[ . 1 . 2]" 1
494 1 24 ARG HA 1 27 LEU HB3 . . 4.890 4.592 4.423 4.787 . 0 0 "[ . 1 . 2]" 1
495 1 24 ARG HA 1 27 LEU MD1 . . 3.520 2.948 2.517 3.441 . 0 0 "[ . 1 . 2]" 1
496 1 24 ARG HA 1 28 ARG H . . 4.140 3.870 3.736 4.062 . 0 0 "[ . 1 . 2]" 1
497 1 24 ARG QB 1 24 ARG QD . . 3.150 2.101 2.002 2.184 . 0 0 "[ . 1 . 2]" 1
498 1 24 ARG QB 1 25 ARG H . . 3.240 2.676 2.443 3.291 0.051 20 0 "[ . 1 . 2]" 1
499 1 24 ARG QD 1 25 ARG H . . 5.040 4.285 3.643 4.802 . 0 0 "[ . 1 . 2]" 1
500 1 24 ARG QG 1 25 ARG H . . 4.890 3.630 1.846 4.525 . 0 0 "[ . 1 . 2]" 1
501 1 25 ARG H 1 25 ARG HB2 . . 3.120 2.707 2.611 2.867 . 0 0 "[ . 1 . 2]" 1
502 1 25 ARG H 1 25 ARG HB3 . . 3.390 2.354 2.225 2.441 . 0 0 "[ . 1 . 2]" 1
503 1 25 ARG H 1 25 ARG QD . . 5.340 4.535 4.350 4.706 . 0 0 "[ . 1 . 2]" 1
504 1 25 ARG H 1 25 ARG QG . . 4.420 3.928 3.847 3.964 . 0 0 "[ . 1 . 2]" 1
505 1 25 ARG H 1 26 ILE H . . 3.250 2.752 2.634 2.875 . 0 0 "[ . 1 . 2]" 1
506 1 25 ARG H 1 27 LEU H . . 4.790 4.676 4.511 4.792 0.002 16 0 "[ . 1 . 2]" 1
507 1 25 ARG HA 1 25 ARG HG2 . . 3.540 3.426 3.090 3.553 0.013 14 0 "[ . 1 . 2]" 1
508 1 25 ARG HA 1 25 ARG QG . . 3.080 2.586 2.506 2.714 . 0 0 "[ . 1 . 2]" 1
509 1 25 ARG HA 1 25 ARG HG3 . . 3.540 2.685 2.564 2.846 . 0 0 "[ . 1 . 2]" 1
510 1 25 ARG HA 1 29 PHE H . . 4.480 4.039 3.781 4.278 . 0 0 "[ . 1 . 2]" 1
511 1 25 ARG HB2 1 25 ARG QD . . 3.640 2.558 2.122 2.921 . 0 0 "[ . 1 . 2]" 1
512 1 25 ARG HB2 1 26 ILE H . . 4.240 3.992 3.887 4.120 . 0 0 "[ . 1 . 2]" 1
513 1 25 ARG HB3 1 60 VAL MG1 . . 4.490 4.032 3.671 4.395 . 0 0 "[ . 1 . 2]" 1
514 1 25 ARG QD 1 60 VAL MG1 . . 3.540 2.761 2.109 3.501 . 0 0 "[ . 1 . 2]" 1
515 1 25 ARG QG 1 29 PHE H . . 5.150 4.198 4.049 4.346 . 0 0 "[ . 1 . 2]" 1
516 1 25 ARG QG 1 29 PHE HB2 . . 4.760 3.503 3.175 3.849 . 0 0 "[ . 1 . 2]" 1
517 1 25 ARG QG 1 29 PHE HB3 . . 4.870 4.072 3.692 4.379 . 0 0 "[ . 1 . 2]" 1
518 1 25 ARG QG 1 60 VAL MG1 . . 3.320 2.392 2.136 2.624 . 0 0 "[ . 1 . 2]" 1
519 1 25 ARG HG2 1 60 VAL MG1 . . 3.950 2.436 2.165 2.693 . 0 0 "[ . 1 . 2]" 1
520 1 25 ARG HG3 1 60 VAL MG1 . . 3.950 3.508 3.205 3.950 0.000 1 0 "[ . 1 . 2]" 1
521 1 26 ILE H 1 26 ILE HB . . 2.900 2.449 2.357 2.565 . 0 0 "[ . 1 . 2]" 1
522 1 26 ILE H 1 26 ILE MD . . 3.830 3.492 3.353 3.646 . 0 0 "[ . 1 . 2]" 1
523 1 26 ILE H 1 26 ILE HG12 . . 3.870 3.613 3.326 3.820 . 0 0 "[ . 1 . 2]" 1
524 1 26 ILE H 1 26 ILE HG13 . . 3.220 2.277 2.024 2.469 . 0 0 "[ . 1 . 2]" 1
525 1 26 ILE H 1 26 ILE MG . . 3.810 3.745 3.718 3.766 . 0 0 "[ . 1 . 2]" 1
526 1 26 ILE H 1 27 LEU H . . 3.310 2.889 2.786 2.992 . 0 0 "[ . 1 . 2]" 1
527 1 26 ILE H 1 60 VAL MG1 . . 4.790 4.227 3.973 4.491 . 0 0 "[ . 1 . 2]" 1
528 1 26 ILE HA 1 26 ILE MD . . 4.100 3.827 3.790 3.878 . 0 0 "[ . 1 . 2]" 1
529 1 26 ILE HA 1 26 ILE HG12 . . 3.330 2.561 2.452 2.656 . 0 0 "[ . 1 . 2]" 1
530 1 26 ILE HA 1 26 ILE HG13 . . 3.520 2.817 2.668 3.025 . 0 0 "[ . 1 . 2]" 1
531 1 26 ILE HA 1 26 ILE MG . . 3.220 2.438 2.346 2.507 . 0 0 "[ . 1 . 2]" 1
532 1 26 ILE HA 1 29 PHE H . . 3.850 3.530 3.350 3.776 . 0 0 "[ . 1 . 2]" 1
533 1 26 ILE HA 1 29 PHE HB2 . . 3.960 3.718 3.562 3.848 . 0 0 "[ . 1 . 2]" 1
534 1 26 ILE HA 1 29 PHE HB3 . . 3.580 2.610 2.456 2.754 . 0 0 "[ . 1 . 2]" 1
535 1 26 ILE HA 1 29 PHE QD . . 4.560 3.802 3.455 4.061 . 0 0 "[ . 1 . 2]" 1
536 1 26 ILE HA 1 60 VAL MG1 . . 3.450 2.947 2.638 3.209 . 0 0 "[ . 1 . 2]" 1
537 1 26 ILE HA 1 60 VAL MG2 . . 3.600 2.928 2.657 3.190 . 0 0 "[ . 1 . 2]" 1
538 1 26 ILE HA 1 65 LEU MD1 . . 4.310 3.389 3.023 3.697 . 0 0 "[ . 1 . 2]" 1
539 1 26 ILE HB 1 26 ILE MD . . 3.220 2.373 2.207 2.501 . 0 0 "[ . 1 . 2]" 1
540 1 26 ILE HB 1 27 LEU H . . 3.560 2.212 2.072 2.320 . 0 0 "[ . 1 . 2]" 1
541 1 26 ILE MD 1 26 ILE MG . . 2.690 2.040 1.898 2.221 . 0 0 "[ . 1 . 2]" 1
542 1 26 ILE MD 1 27 LEU H . . 4.860 4.215 4.067 4.388 . 0 0 "[ . 1 . 2]" 1
543 1 26 ILE MD 1 60 VAL HB . . 4.570 4.314 3.989 4.570 0.000 16 0 "[ . 1 . 2]" 1
544 1 26 ILE MD 1 63 TYR HB2 . . 3.810 3.604 3.299 3.812 0.002 18 0 "[ . 1 . 2]" 1
545 1 26 ILE MD 1 63 TYR HB3 . . 3.750 3.225 2.953 3.508 . 0 0 "[ . 1 . 2]" 1
546 1 26 ILE MD 1 63 TYR QD . . 4.050 3.422 3.121 3.797 . 0 0 "[ . 1 . 2]" 1
547 1 26 ILE MD 1 81 VAL MG1 . . 4.430 3.093 2.237 4.432 0.002 5 0 "[ . 1 . 2]" 1
548 1 26 ILE MD 1 81 VAL QG . . 3.030 2.456 2.218 2.712 . 0 0 "[ . 1 . 2]" 1
549 1 26 ILE MD 1 81 VAL MG2 . . 4.430 3.336 2.249 4.168 . 0 0 "[ . 1 . 2]" 1
550 1 26 ILE HG12 1 26 ILE MG . . 3.020 2.307 2.169 2.392 . 0 0 "[ . 1 . 2]" 1
551 1 26 ILE HG12 1 60 VAL HB . . 4.000 3.448 3.048 3.596 . 0 0 "[ . 1 . 2]" 1
552 1 26 ILE HG12 1 60 VAL MG2 . . 3.650 3.101 2.488 3.496 . 0 0 "[ . 1 . 2]" 1
553 1 26 ILE HG12 1 65 LEU MD1 . . 4.010 2.629 1.989 3.531 . 0 0 "[ . 1 . 2]" 1
554 1 26 ILE HG13 1 26 ILE MG . . 3.230 3.188 3.176 3.203 . 0 0 "[ . 1 . 2]" 1
555 1 26 ILE HG13 1 60 VAL MG1 . . 3.600 3.254 2.760 3.588 . 0 0 "[ . 1 . 2]" 1
556 1 26 ILE MG 1 27 LEU H . . 3.760 2.850 2.594 3.159 . 0 0 "[ . 1 . 2]" 1
557 1 26 ILE MG 1 27 LEU HA . . 4.040 3.128 2.924 3.420 . 0 0 "[ . 1 . 2]" 1
558 1 26 ILE MG 1 29 PHE H . . 4.890 4.562 4.270 4.768 . 0 0 "[ . 1 . 2]" 1
559 1 26 ILE MG 1 29 PHE HB2 . . 5.500 5.155 4.903 5.322 . 0 0 "[ . 1 . 2]" 1
560 1 26 ILE MG 1 29 PHE HB3 . . 4.330 3.762 3.510 3.960 . 0 0 "[ . 1 . 2]" 1
561 1 26 ILE MG 1 29 PHE QD . . 3.950 3.641 3.350 3.952 0.002 16 0 "[ . 1 . 2]" 1
562 1 26 ILE MG 1 60 VAL MG1 . . 4.390 4.003 3.633 4.395 0.005 19 0 "[ . 1 . 2]" 1
563 1 26 ILE MG 1 60 VAL MG2 . . 3.930 3.174 2.830 3.793 . 0 0 "[ . 1 . 2]" 1
564 1 27 LEU H 1 27 LEU HB2 . . 2.920 2.437 2.290 2.578 . 0 0 "[ . 1 . 2]" 1
565 1 27 LEU H 1 27 LEU HB3 . . 3.690 3.577 3.545 3.598 . 0 0 "[ . 1 . 2]" 1
566 1 27 LEU H 1 27 LEU MD1 . . 3.760 3.449 3.382 3.558 . 0 0 "[ . 1 . 2]" 1
567 1 27 LEU H 1 27 LEU MD2 . . 3.960 3.602 3.286 3.887 . 0 0 "[ . 1 . 2]" 1
568 1 27 LEU H 1 27 LEU HG . . 3.270 2.358 2.085 2.653 . 0 0 "[ . 1 . 2]" 1
569 1 27 LEU H 1 28 ARG H . . 3.390 2.899 2.704 3.074 . 0 0 "[ . 1 . 2]" 1
570 1 27 LEU H 1 29 PHE H . . 4.490 4.274 3.928 4.483 . 0 0 "[ . 1 . 2]" 1
571 1 27 LEU HA 1 27 LEU MD1 . . 4.060 3.878 3.849 3.922 . 0 0 "[ . 1 . 2]" 1
572 1 27 LEU HA 1 27 LEU MD2 . . 2.870 2.290 2.072 2.419 . 0 0 "[ . 1 . 2]" 1
573 1 27 LEU HA 1 27 LEU HG . . 3.560 2.858 2.699 3.025 . 0 0 "[ . 1 . 2]" 1
574 1 27 LEU HA 1 30 LEU H . . 3.920 3.560 3.346 3.759 . 0 0 "[ . 1 . 2]" 1
575 1 27 LEU HA 1 30 LEU HB2 . . 3.950 3.002 2.842 3.124 . 0 0 "[ . 1 . 2]" 1
576 1 27 LEU HA 1 30 LEU HB3 . . 4.710 4.652 4.514 4.713 0.003 10 0 "[ . 1 . 2]" 1
577 1 27 LEU HA 1 30 LEU MD1 . . 3.390 3.024 2.632 3.280 . 0 0 "[ . 1 . 2]" 1
578 1 27 LEU HA 1 30 LEU MD2 . . 5.450 5.299 5.095 5.442 . 0 0 "[ . 1 . 2]" 1
579 1 27 LEU HA 1 31 ARG H . . 4.630 4.155 3.743 4.362 . 0 0 "[ . 1 . 2]" 1
580 1 27 LEU HB2 1 27 LEU MD1 . . 3.210 2.185 2.061 2.299 . 0 0 "[ . 1 . 2]" 1
581 1 27 LEU HB2 1 28 ARG H . . 3.040 2.530 2.171 2.911 . 0 0 "[ . 1 . 2]" 1
582 1 27 LEU HB3 1 27 LEU MD1 . . 3.470 2.505 2.379 2.591 . 0 0 "[ . 1 . 2]" 1
583 1 27 LEU HB3 1 27 LEU MD2 . . 3.050 2.180 2.098 2.313 . 0 0 "[ . 1 . 2]" 1
584 1 27 LEU HB3 1 28 ARG H . . 3.640 3.397 3.103 3.604 . 0 0 "[ . 1 . 2]" 1
585 1 27 LEU HB3 1 31 ARG QD . . 4.640 2.727 2.125 3.394 . 0 0 "[ . 1 . 2]" 1
586 1 27 LEU MD1 1 28 ARG H . . 4.990 4.326 3.937 4.658 . 0 0 "[ . 1 . 2]" 1
587 1 27 LEU MD2 1 28 ARG H . . 5.480 4.695 4.579 4.824 . 0 0 "[ . 1 . 2]" 1
588 1 27 LEU MD2 1 31 ARG QD . . 3.980 3.496 2.707 3.988 0.008 8 0 "[ . 1 . 2]" 1
589 1 28 ARG H 1 28 ARG QB . . 3.110 2.207 2.127 2.271 . 0 0 "[ . 1 . 2]" 1
590 1 28 ARG H 1 28 ARG QD . . 4.490 4.190 3.478 4.493 0.003 12 0 "[ . 1 . 2]" 1
591 1 28 ARG H 1 28 ARG HG2 . . 4.820 4.163 2.872 4.627 . 0 0 "[ . 1 . 2]" 1
592 1 28 ARG H 1 28 ARG QG . . 4.140 3.538 2.582 4.053 . 0 0 "[ . 1 . 2]" 1
593 1 28 ARG H 1 28 ARG HG3 . . 4.820 3.959 2.618 4.646 . 0 0 "[ . 1 . 2]" 1
594 1 28 ARG H 1 29 PHE H . . 3.240 2.704 2.454 2.925 . 0 0 "[ . 1 . 2]" 1
595 1 28 ARG H 1 30 LEU H . . 4.300 4.105 3.967 4.251 . 0 0 "[ . 1 . 2]" 1
596 1 28 ARG H 1 31 ARG QD . . 5.500 4.255 3.680 5.059 . 0 0 "[ . 1 . 2]" 1
597 1 28 ARG HA 1 28 ARG QD . . 4.370 3.560 2.158 4.249 . 0 0 "[ . 1 . 2]" 1
598 1 28 ARG HA 1 28 ARG HG2 . . 3.810 2.891 2.358 3.733 . 0 0 "[ . 1 . 2]" 1
599 1 28 ARG HA 1 28 ARG QG . . 3.320 2.379 2.214 2.724 . 0 0 "[ . 1 . 2]" 1
600 1 28 ARG HA 1 28 ARG HG3 . . 3.810 2.814 2.274 3.640 . 0 0 "[ . 1 . 2]" 1
601 1 28 ARG HA 1 31 ARG QD . . 4.630 3.067 1.896 3.813 . 0 0 "[ . 1 . 2]" 1
602 1 28 ARG HA 1 32 GLU H . . 4.190 4.001 3.864 4.186 . 0 0 "[ . 1 . 2]" 1
603 1 28 ARG QB 1 29 PHE H . . 3.130 2.589 2.299 3.031 . 0 0 "[ . 1 . 2]" 1
604 1 28 ARG QB 1 29 PHE HA . . 4.620 3.949 3.757 4.376 . 0 0 "[ . 1 . 2]" 1
605 1 28 ARG QB 1 29 PHE HB2 . . 5.310 4.371 4.250 4.537 . 0 0 "[ . 1 . 2]" 1
606 1 28 ARG HB2 1 28 ARG QD . . 3.670 2.568 2.123 3.318 . 0 0 "[ . 1 . 2]" 1
607 1 28 ARG HB3 1 28 ARG QD . . 3.670 2.525 2.048 3.279 . 0 0 "[ . 1 . 2]" 1
608 1 28 ARG QD 1 29 PHE H . . 5.370 4.652 2.772 5.113 . 0 0 "[ . 1 . 2]" 1
609 1 28 ARG QG 1 29 PHE H . . 5.340 4.050 3.572 4.399 . 0 0 "[ . 1 . 2]" 1
610 1 28 ARG QG 1 32 GLU QG . . 3.740 2.601 1.886 3.740 0.000 11 0 "[ . 1 . 2]" 1
611 1 29 PHE H 1 29 PHE HB2 . . 2.830 2.772 2.680 2.883 0.053 16 0 "[ . 1 . 2]" 1
612 1 29 PHE H 1 29 PHE HB3 . . 3.510 2.330 2.284 2.389 . 0 0 "[ . 1 . 2]" 1
613 1 29 PHE H 1 29 PHE QD . . 4.220 4.110 4.044 4.156 . 0 0 "[ . 1 . 2]" 1
614 1 29 PHE H 1 30 LEU H . . 3.320 2.671 2.343 2.823 . 0 0 "[ . 1 . 2]" 1
615 1 29 PHE H 1 31 ARG H . . 4.390 3.925 3.618 4.168 . 0 0 "[ . 1 . 2]" 1
616 1 29 PHE H 1 60 VAL MG1 . . 5.290 4.979 4.533 5.258 . 0 0 "[ . 1 . 2]" 1
617 1 29 PHE H 1 60 VAL MG2 . . 5.200 4.919 4.697 5.166 . 0 0 "[ . 1 . 2]" 1
618 1 29 PHE HA 1 29 PHE QD . . 3.510 2.856 2.779 2.957 . 0 0 "[ . 1 . 2]" 1
619 1 29 PHE HA 1 32 GLU H . . 4.620 3.721 3.640 3.835 . 0 0 "[ . 1 . 2]" 1
620 1 29 PHE HA 1 33 ARG H . . 3.940 3.117 2.963 3.289 . 0 0 "[ . 1 . 2]" 1
621 1 29 PHE HA 1 33 ARG QB . . 4.110 3.819 3.599 4.024 . 0 0 "[ . 1 . 2]" 1
622 1 29 PHE HA 1 33 ARG QD . . 4.800 4.680 4.290 4.802 0.002 14 0 "[ . 1 . 2]" 1
623 1 29 PHE HA 1 33 ARG HG2 . . 4.060 2.920 2.698 3.089 . 0 0 "[ . 1 . 2]" 1
624 1 29 PHE HA 1 33 ARG QG . . 3.280 2.703 2.581 2.893 . 0 0 "[ . 1 . 2]" 1
625 1 29 PHE HA 1 33 ARG HG3 . . 4.060 3.214 3.040 3.605 . 0 0 "[ . 1 . 2]" 1
626 1 29 PHE HA 1 34 VAL H . . 5.390 4.875 4.668 5.179 . 0 0 "[ . 1 . 2]" 1
627 1 29 PHE HB2 1 30 LEU H . . 4.270 4.117 4.056 4.176 . 0 0 "[ . 1 . 2]" 1
628 1 29 PHE HB2 1 60 VAL MG1 . . 4.400 3.472 3.030 3.875 . 0 0 "[ . 1 . 2]" 1
629 1 29 PHE HB2 1 60 VAL MG2 . . 4.040 3.453 2.885 3.793 . 0 0 "[ . 1 . 2]" 1
630 1 29 PHE HB2 1 65 LEU MD1 . . 5.500 5.325 4.956 5.502 0.002 13 0 "[ . 1 . 2]" 1
631 1 29 PHE HB3 1 30 LEU H . . 3.320 2.866 2.767 2.971 . 0 0 "[ . 1 . 2]" 1
632 1 29 PHE HB3 1 30 LEU MD1 . . 5.500 4.241 4.103 4.430 . 0 0 "[ . 1 . 2]" 1
633 1 29 PHE HB3 1 30 LEU HG . . 5.200 3.624 3.372 3.876 . 0 0 "[ . 1 . 2]" 1
634 1 29 PHE HB3 1 60 VAL MG1 . . 4.360 3.578 2.999 3.922 . 0 0 "[ . 1 . 2]" 1
635 1 29 PHE HB3 1 60 VAL MG2 . . 4.120 3.025 2.794 3.314 . 0 0 "[ . 1 . 2]" 1
636 1 29 PHE QD 1 30 LEU H . . 3.750 3.349 3.231 3.478 . 0 0 "[ . 1 . 2]" 1
637 1 29 PHE QD 1 30 LEU HA . . 4.280 3.631 3.387 3.738 . 0 0 "[ . 1 . 2]" 1
638 1 29 PHE QD 1 30 LEU MD1 . . 3.360 3.344 3.229 3.377 0.017 16 0 "[ . 1 . 2]" 1
639 1 29 PHE QD 1 30 LEU MD2 . . 3.630 3.187 2.704 3.554 . 0 0 "[ . 1 . 2]" 1
640 1 29 PHE QD 1 30 LEU HG . . 3.970 2.074 1.998 2.250 . 0 0 "[ . 1 . 2]" 1
641 1 29 PHE QD 1 33 ARG QB . . 4.240 3.495 3.301 3.762 . 0 0 "[ . 1 . 2]" 1
642 1 29 PHE QD 1 33 ARG QD . . 3.680 3.627 3.520 3.686 0.006 5 0 "[ . 1 . 2]" 1
643 1 29 PHE QD 1 33 ARG HG2 . . 4.490 3.346 3.109 3.585 . 0 0 "[ . 1 . 2]" 1
644 1 29 PHE QD 1 33 ARG QG . . 3.750 2.065 1.979 2.352 . 0 0 "[ . 1 . 2]" 1
645 1 29 PHE QD 1 33 ARG HG3 . . 4.490 2.086 1.995 2.386 . 0 0 "[ . 1 . 2]" 1
646 1 29 PHE QD 1 34 VAL MG2 . . 4.280 3.693 3.369 4.018 . 0 0 "[ . 1 . 2]" 1
647 1 29 PHE QD 1 60 VAL MG2 . . 3.520 2.622 2.192 2.979 . 0 0 "[ . 1 . 2]" 1
648 1 29 PHE QD 1 65 LEU MD1 . . 3.800 3.161 2.768 3.526 . 0 0 "[ . 1 . 2]" 1
649 1 29 PHE QE 1 30 LEU MD2 . . 4.580 2.936 2.394 3.441 . 0 0 "[ . 1 . 2]" 1
650 1 29 PHE QE 1 33 ARG QB . . 4.610 3.329 3.140 3.537 . 0 0 "[ . 1 . 2]" 1
651 1 29 PHE QE 1 34 VAL MG2 . . 3.400 3.205 2.920 3.397 . 0 0 "[ . 1 . 2]" 1
652 1 29 PHE QE 1 43 LEU MD1 . . 4.500 2.583 1.968 4.279 . 0 0 "[ . 1 . 2]" 1
653 1 29 PHE QE 1 43 LEU QD . . 3.740 2.312 1.944 2.791 . 0 0 "[ . 1 . 2]" 1
654 1 29 PHE QE 1 43 LEU MD2 . . 4.500 3.190 2.086 3.957 . 0 0 "[ . 1 . 2]" 1
655 1 29 PHE QE 1 58 TYR HB2 . . 4.400 3.646 2.921 4.214 . 0 0 "[ . 1 . 2]" 1
656 1 29 PHE QE 1 58 TYR HB3 . . 3.780 2.428 2.001 2.813 . 0 0 "[ . 1 . 2]" 1
657 1 29 PHE QE 1 60 VAL MG2 . . 4.570 2.947 2.443 3.330 . 0 0 "[ . 1 . 2]" 1
658 1 29 PHE HZ 1 34 VAL MG2 . . 4.200 3.814 3.463 4.207 0.007 8 0 "[ . 1 . 2]" 1
659 1 29 PHE HZ 1 43 LEU MD1 . . 4.280 2.683 1.942 4.171 . 0 0 "[ . 1 . 2]" 1
660 1 29 PHE HZ 1 43 LEU QD . . 3.720 2.400 1.849 3.239 . 0 0 "[ . 1 . 2]" 1
661 1 29 PHE HZ 1 43 LEU MD2 . . 4.280 3.232 1.852 3.808 . 0 0 "[ . 1 . 2]" 1
662 1 29 PHE HZ 1 58 TYR HB3 . . 4.340 3.659 2.797 4.340 . 6 0 "[ . 1 . 2]" 1
663 1 30 LEU H 1 30 LEU HB2 . . 3.190 2.336 2.260 2.458 . 0 0 "[ . 1 . 2]" 1
664 1 30 LEU H 1 30 LEU HB3 . . 3.770 3.584 3.545 3.627 . 0 0 "[ . 1 . 2]" 1
665 1 30 LEU H 1 30 LEU MD1 . . 3.540 3.429 3.350 3.513 . 0 0 "[ . 1 . 2]" 1
666 1 30 LEU H 1 30 LEU MD2 . . 4.410 4.070 3.874 4.168 . 0 0 "[ . 1 . 2]" 1
667 1 30 LEU H 1 30 LEU HG . . 3.110 2.859 2.547 3.055 . 0 0 "[ . 1 . 2]" 1
668 1 30 LEU H 1 31 ARG H . . 3.470 2.282 2.249 2.347 . 0 0 "[ . 1 . 2]" 1
669 1 30 LEU H 1 32 GLU H . . 4.480 3.689 3.589 3.805 . 0 0 "[ . 1 . 2]" 1
670 1 30 LEU HA 1 30 LEU MD1 . . 4.070 3.872 3.833 3.925 . 0 0 "[ . 1 . 2]" 1
671 1 30 LEU HA 1 30 LEU MD2 . . 2.990 2.479 2.326 2.601 . 0 0 "[ . 1 . 2]" 1
672 1 30 LEU HA 1 30 LEU HG . . 4.090 2.709 2.598 2.874 . 0 0 "[ . 1 . 2]" 1
673 1 30 LEU HA 1 34 VAL H . . 3.670 2.811 2.460 2.997 . 0 0 "[ . 1 . 2]" 1
674 1 30 LEU HA 1 34 VAL HB . . 3.120 2.390 2.203 2.735 . 0 0 "[ . 1 . 2]" 1
675 1 30 LEU HA 1 34 VAL MG1 . . 4.100 3.837 3.658 4.087 . 0 0 "[ . 1 . 2]" 1
676 1 30 LEU HA 1 34 VAL MG2 . . 3.470 2.036 1.968 2.417 . 0 0 "[ . 1 . 2]" 1
677 1 30 LEU HA 1 35 ALA H . . 4.190 3.880 3.621 4.199 0.009 16 0 "[ . 1 . 2]" 1
678 1 30 LEU HB2 1 30 LEU MD1 . . 3.180 2.098 1.978 2.213 . 0 0 "[ . 1 . 2]" 1
679 1 30 LEU HB2 1 30 LEU MD2 . . 3.480 3.131 3.110 3.149 . 0 0 "[ . 1 . 2]" 1
680 1 30 LEU HB2 1 31 ARG H . . 3.520 2.959 2.754 3.132 . 0 0 "[ . 1 . 2]" 1
681 1 30 LEU HB3 1 30 LEU MD1 . . 3.130 2.597 2.508 2.673 . 0 0 "[ . 1 . 2]" 1
682 1 30 LEU HB3 1 30 LEU MD2 . . 3.470 2.094 2.009 2.229 . 0 0 "[ . 1 . 2]" 1
683 1 30 LEU HB3 1 31 ARG H . . 3.890 3.775 3.510 3.895 0.005 18 0 "[ . 1 . 2]" 1
684 1 30 LEU HB3 1 34 VAL HB . . 4.450 3.387 2.921 3.687 . 0 0 "[ . 1 . 2]" 1
685 1 30 LEU MD1 1 31 ARG H . . 4.720 4.581 4.407 4.724 0.004 18 0 "[ . 1 . 2]" 1
686 1 30 LEU MD2 1 31 ARG H . . 5.060 4.917 4.839 4.997 . 0 0 "[ . 1 . 2]" 1
687 1 30 LEU MD2 1 34 VAL HB . . 3.350 2.889 2.362 3.240 . 0 0 "[ . 1 . 2]" 1
688 1 30 LEU MD2 1 34 VAL MG2 . . 3.250 1.935 1.767 2.177 . 0 0 "[ . 1 . 2]" 1
689 1 30 LEU MD2 1 58 TYR QD . . 4.290 3.166 2.653 3.503 . 0 0 "[ . 1 . 2]" 1
690 1 31 ARG H 1 31 ARG HB2 . . 3.690 2.567 2.218 3.641 . 0 0 "[ . 1 . 2]" 1
691 1 31 ARG H 1 31 ARG QB . . 2.960 2.298 2.195 2.429 . 0 0 "[ . 1 . 2]" 1
692 1 31 ARG H 1 31 ARG HB3 . . 3.690 3.331 2.365 3.632 . 0 0 "[ . 1 . 2]" 1
693 1 31 ARG H 1 31 ARG QD . . 4.370 3.755 2.516 4.355 . 0 0 "[ . 1 . 2]" 1
694 1 31 ARG H 1 31 ARG HG2 . . 4.270 3.752 2.536 4.269 . 0 0 "[ . 1 . 2]" 1
695 1 31 ARG H 1 31 ARG QG . . 3.570 2.797 2.491 3.570 0.000 2 0 "[ . 1 . 2]" 1
696 1 31 ARG H 1 31 ARG HG3 . . 4.270 3.127 2.535 3.893 . 0 0 "[ . 1 . 2]" 1
697 1 31 ARG H 1 32 GLU H . . 3.300 2.351 2.239 2.502 . 0 0 "[ . 1 . 2]" 1
698 1 31 ARG H 1 33 ARG H . . 4.700 4.532 4.245 4.715 0.015 16 0 "[ . 1 . 2]" 1
699 1 31 ARG HA 1 31 ARG QD . . 4.610 4.059 2.986 4.453 . 0 0 "[ . 1 . 2]" 1
700 1 31 ARG HA 1 31 ARG HG2 . . 3.850 2.846 2.440 3.702 . 0 0 "[ . 1 . 2]" 1
701 1 31 ARG HA 1 31 ARG QG . . 3.330 2.540 2.202 3.304 . 0 0 "[ . 1 . 2]" 1
702 1 31 ARG HA 1 31 ARG HG3 . . 3.850 2.942 2.225 3.737 . 0 0 "[ . 1 . 2]" 1
703 1 31 ARG HA 1 35 ALA H . . 4.420 3.859 3.549 4.183 . 0 0 "[ . 1 . 2]" 1
704 1 31 ARG HA 1 35 ALA MB . . 3.030 2.224 2.008 2.632 . 0 0 "[ . 1 . 2]" 1
705 1 31 ARG QB 1 32 GLU QG . . 4.080 3.452 3.128 4.072 . 0 0 "[ . 1 . 2]" 1
706 1 31 ARG HB2 1 31 ARG QD . . 3.740 2.407 2.144 3.044 . 0 0 "[ . 1 . 2]" 1
707 1 31 ARG HB2 1 32 GLU H . . 4.260 3.598 3.172 4.354 0.094 14 0 "[ . 1 . 2]" 1
708 1 31 ARG HB3 1 31 ARG QD . . 3.740 2.625 2.236 3.247 . 0 0 "[ . 1 . 2]" 1
709 1 31 ARG HB3 1 32 GLU H . . 4.260 4.031 3.932 4.094 . 0 0 "[ . 1 . 2]" 1
710 1 31 ARG QD 1 32 GLU H . . 5.500 5.173 4.450 5.522 0.022 18 0 "[ . 1 . 2]" 1
711 1 32 GLU H 1 32 GLU HB2 . . 3.140 2.472 2.403 2.523 . 0 0 "[ . 1 . 2]" 1
712 1 32 GLU H 1 32 GLU HB3 . . 3.740 3.671 3.618 3.708 . 0 0 "[ . 1 . 2]" 1
713 1 32 GLU H 1 32 GLU QG . . 3.290 3.055 2.896 3.251 . 0 0 "[ . 1 . 2]" 1
714 1 32 GLU H 1 33 ARG H . . 3.100 2.511 2.303 2.632 . 0 0 "[ . 1 . 2]" 1
715 1 32 GLU H 1 33 ARG QB . . 4.390 4.355 4.271 4.404 0.014 6 0 "[ . 1 . 2]" 1
716 1 32 GLU H 1 33 ARG QG . . 4.180 4.103 3.845 4.188 0.008 18 0 "[ . 1 . 2]" 1
717 1 32 GLU H 1 34 VAL H . . 4.470 3.990 3.811 4.126 . 0 0 "[ . 1 . 2]" 1
718 1 32 GLU HA 1 32 GLU HG2 . . 3.660 2.851 2.300 3.323 . 0 0 "[ . 1 . 2]" 1
719 1 32 GLU HA 1 32 GLU HG3 . . 3.660 3.595 3.158 3.731 0.071 8 0 "[ . 1 . 2]" 1
720 1 32 GLU HA 1 35 ALA MB . . 4.490 2.657 2.288 2.993 . 0 0 "[ . 1 . 2]" 1
721 1 32 GLU HA 1 36 THR MG . . 3.960 3.534 2.939 3.989 0.029 16 0 "[ . 1 . 2]" 1
722 1 32 GLU HB2 1 33 ARG H . . 3.650 2.157 2.022 2.346 . 0 0 "[ . 1 . 2]" 1
723 1 32 GLU HB2 1 33 ARG QD . . 5.460 4.805 4.180 5.088 . 0 0 "[ . 1 . 2]" 1
724 1 32 GLU HB2 1 33 ARG HG2 . . 4.750 3.003 2.877 3.195 . 0 0 "[ . 1 . 2]" 1
725 1 32 GLU HB2 1 33 ARG QG . . 4.070 2.964 2.845 3.142 . 0 0 "[ . 1 . 2]" 1
726 1 32 GLU HB2 1 33 ARG HG3 . . 4.750 4.556 4.371 4.723 . 0 0 "[ . 1 . 2]" 1
727 1 32 GLU HB3 1 33 ARG QD . . 5.500 4.647 3.981 5.069 . 0 0 "[ . 1 . 2]" 1
728 1 32 GLU HB3 1 33 ARG QG . . 5.320 3.460 3.258 3.654 . 0 0 "[ . 1 . 2]" 1
729 1 32 GLU HB3 1 36 THR MG . . 4.850 4.023 3.847 4.354 . 0 0 "[ . 1 . 2]" 1
730 1 32 GLU QG 1 33 ARG H . . 4.680 3.938 3.846 4.045 . 0 0 "[ . 1 . 2]" 1
731 1 33 ARG H 1 33 ARG QB . . 3.250 2.573 2.533 2.595 . 0 0 "[ . 1 . 2]" 1
732 1 33 ARG H 1 33 ARG QD . . 4.480 3.759 3.297 4.038 . 0 0 "[ . 1 . 2]" 1
733 1 33 ARG H 1 33 ARG HG2 . . 4.100 1.931 1.895 2.013 . 0 0 "[ . 1 . 2]" 1
734 1 33 ARG H 1 33 ARG HG3 . . 4.100 3.269 3.154 3.415 . 0 0 "[ . 1 . 2]" 1
735 1 33 ARG H 1 34 VAL H . . 3.150 3.062 2.910 3.176 0.026 19 0 "[ . 1 . 2]" 1
736 1 33 ARG H 1 34 VAL MG2 . . 4.630 4.515 4.260 4.625 . 0 0 "[ . 1 . 2]" 1
737 1 33 ARG H 1 35 ALA H . . 4.640 3.874 3.649 4.222 . 0 0 "[ . 1 . 2]" 1
738 1 33 ARG HA 1 33 ARG QD . . 3.400 2.551 2.222 3.086 . 0 0 "[ . 1 . 2]" 1
739 1 33 ARG HA 1 33 ARG HG2 . . 3.980 2.930 2.861 3.023 . 0 0 "[ . 1 . 2]" 1
740 1 33 ARG HA 1 33 ARG HG3 . . 3.980 3.849 3.829 3.889 . 0 0 "[ . 1 . 2]" 1
741 1 33 ARG HA 1 36 THR H . . 4.690 3.815 3.631 4.049 . 0 0 "[ . 1 . 2]" 1
742 1 33 ARG HA 1 36 THR MG . . 4.350 3.143 2.369 3.915 . 0 0 "[ . 1 . 2]" 1
743 1 33 ARG HA 1 43 LEU QD . . 4.840 3.978 3.483 4.683 . 0 0 "[ . 1 . 2]" 1
744 1 33 ARG QB 1 34 VAL H . . 3.230 1.902 1.873 1.975 . 0 0 "[ . 1 . 2]" 1
745 1 33 ARG QB 1 34 VAL HA . . 4.750 3.764 3.753 3.796 . 0 0 "[ . 1 . 2]" 1
746 1 33 ARG QB 1 34 VAL MG2 . . 3.710 2.832 2.673 2.930 . 0 0 "[ . 1 . 2]" 1
747 1 33 ARG QB 1 43 LEU QD . . 3.840 2.128 1.857 2.830 . 0 0 "[ . 1 . 2]" 1
748 1 33 ARG QD 1 43 LEU MD1 . . 5.230 3.060 2.443 4.043 . 0 0 "[ . 1 . 2]" 1
749 1 33 ARG QD 1 43 LEU QD . . 3.810 2.897 2.410 3.633 . 0 0 "[ . 1 . 2]" 1
750 1 33 ARG QD 1 43 LEU MD2 . . 5.230 4.004 3.018 4.855 . 0 0 "[ . 1 . 2]" 1
751 1 33 ARG QG 1 34 VAL H . . 4.020 3.648 3.561 3.713 . 0 0 "[ . 1 . 2]" 1
752 1 34 VAL H 1 34 VAL HB . . 3.190 2.630 2.537 2.693 . 0 0 "[ . 1 . 2]" 1
753 1 34 VAL H 1 34 VAL MG1 . . 3.950 3.762 3.754 3.765 . 0 0 "[ . 1 . 2]" 1
754 1 34 VAL H 1 34 VAL MG2 . . 3.110 2.096 1.906 2.304 . 0 0 "[ . 1 . 2]" 1
755 1 34 VAL H 1 35 ALA H . . 3.320 2.762 2.634 2.862 . 0 0 "[ . 1 . 2]" 1
756 1 34 VAL H 1 36 THR H . . 4.580 4.517 4.252 4.599 0.019 14 0 "[ . 1 . 2]" 1
757 1 34 VAL HA 1 34 VAL MG1 . . 3.230 2.390 2.237 2.470 . 0 0 "[ . 1 . 2]" 1
758 1 34 VAL HA 1 34 VAL MG2 . . 3.140 2.353 2.273 2.460 . 0 0 "[ . 1 . 2]" 1
759 1 34 VAL HA 1 36 THR H . . 4.940 4.517 3.972 4.688 . 0 0 "[ . 1 . 2]" 1
760 1 34 VAL HA 1 37 LEU H . . 4.300 3.382 3.195 3.789 . 0 0 "[ . 1 . 2]" 1
761 1 34 VAL HA 1 37 LEU QB . . 4.800 2.109 1.977 2.611 . 0 0 "[ . 1 . 2]" 1
762 1 34 VAL HA 1 37 LEU MD1 . . 3.130 2.127 1.844 2.500 . 0 0 "[ . 1 . 2]" 1
763 1 34 VAL HA 1 37 LEU MD2 . . 4.570 4.327 4.050 4.570 . 11 0 "[ . 1 . 2]" 1
764 1 34 VAL HA 1 37 LEU HG . . 3.670 3.363 3.048 3.675 0.005 14 0 "[ . 1 . 2]" 1
765 1 34 VAL HA 1 40 PRO HA . . 4.570 3.933 3.463 4.162 . 0 0 "[ . 1 . 2]" 1
766 1 34 VAL HA 1 43 LEU QD . . 4.580 3.775 3.298 4.589 0.009 14 0 "[ . 1 . 2]" 1
767 1 34 VAL HB 1 35 ALA H . . 3.370 2.742 2.357 3.123 . 0 0 "[ . 1 . 2]" 1
768 1 34 VAL MG1 1 35 ALA H . . 3.790 3.621 3.398 3.802 0.012 20 0 "[ . 1 . 2]" 1
769 1 34 VAL MG1 1 40 PRO HA . . 3.880 2.455 2.117 2.954 . 0 0 "[ . 1 . 2]" 1
770 1 34 VAL MG1 1 40 PRO HB2 . . 3.790 3.626 3.246 3.794 0.004 6 0 "[ . 1 . 2]" 1
771 1 34 VAL MG1 1 40 PRO HB3 . . 3.790 2.768 2.284 3.091 . 0 0 "[ . 1 . 2]" 1
772 1 34 VAL MG1 1 58 TYR QE . . 3.960 3.383 2.947 3.833 . 0 0 "[ . 1 . 2]" 1
773 1 34 VAL MG1 1 58 TYR HH . . 4.020 3.126 2.071 4.018 . 0 0 "[ . 1 . 2]" 1
774 1 34 VAL MG2 1 35 ALA H . . 4.230 3.829 3.610 4.034 . 0 0 "[ . 1 . 2]" 1
775 1 34 VAL MG2 1 37 LEU MD1 . . 4.090 2.668 2.437 2.924 . 0 0 "[ . 1 . 2]" 1
776 1 34 VAL MG2 1 43 LEU MD1 . . 4.970 2.891 2.242 4.108 . 0 0 "[ . 1 . 2]" 1
777 1 34 VAL MG2 1 43 LEU QD . . 3.610 2.829 2.237 3.534 . 0 0 "[ . 1 . 2]" 1
778 1 34 VAL MG2 1 43 LEU MD2 . . 4.970 4.772 3.855 4.975 0.005 13 0 "[ . 1 . 2]" 1
779 1 34 VAL MG2 1 58 TYR QD . . 4.390 3.455 3.003 4.083 . 0 0 "[ . 1 . 2]" 1
780 1 34 VAL MG2 1 58 TYR QE . . 4.230 2.831 2.157 3.424 . 0 0 "[ . 1 . 2]" 1
781 1 35 ALA H 1 35 ALA MB . . 2.940 2.215 2.146 2.238 . 0 0 "[ . 1 . 2]" 1
782 1 35 ALA H 1 36 THR H . . 3.640 2.787 2.580 2.995 . 0 0 "[ . 1 . 2]" 1
783 1 35 ALA H 1 36 THR MG . . 4.510 4.168 3.619 4.464 . 0 0 "[ . 1 . 2]" 1
784 1 35 ALA MB 1 36 THR H . . 3.820 2.394 2.302 2.623 . 0 0 "[ . 1 . 2]" 1
785 1 35 ALA MB 1 36 THR HA . . 4.600 3.839 3.762 3.905 . 0 0 "[ . 1 . 2]" 1
786 1 35 ALA MB 1 36 THR MG . . 3.690 3.143 2.570 3.700 0.010 18 0 "[ . 1 . 2]" 1
787 1 36 THR H 1 36 THR HB . . 4.130 3.232 2.706 3.671 . 0 0 "[ . 1 . 2]" 1
788 1 36 THR H 1 36 THR MG . . 3.330 2.161 1.880 2.314 . 0 0 "[ . 1 . 2]" 1
789 1 36 THR H 1 37 LEU H . . 3.130 2.474 2.342 2.786 . 0 0 "[ . 1 . 2]" 1
790 1 36 THR H 1 37 LEU HG . . 4.660 4.400 4.132 4.579 . 0 0 "[ . 1 . 2]" 1
791 1 36 THR HA 1 36 THR MG . . 3.370 2.789 2.411 3.196 . 0 0 "[ . 1 . 2]" 1
792 1 36 THR MG 1 37 LEU H . . 3.860 3.104 2.052 3.889 0.029 5 0 "[ . 1 . 2]" 1
793 1 37 LEU H 1 37 LEU HB2 . . 4.070 2.358 2.244 2.690 . 0 0 "[ . 1 . 2]" 1
794 1 37 LEU H 1 37 LEU QB . . 3.440 2.325 2.220 2.620 . 0 0 "[ . 1 . 2]" 1
795 1 37 LEU H 1 37 LEU HB3 . . 4.070 3.564 3.533 3.614 . 0 0 "[ . 1 . 2]" 1
796 1 37 LEU H 1 37 LEU MD1 . . 3.890 3.598 3.328 3.817 . 0 0 "[ . 1 . 2]" 1
797 1 37 LEU H 1 37 LEU MD2 . . 4.030 3.696 3.293 4.004 . 0 0 "[ . 1 . 2]" 1
798 1 37 LEU H 1 37 LEU HG . . 3.230 2.558 1.994 3.096 . 0 0 "[ . 1 . 2]" 1
799 1 37 LEU HA 1 37 LEU MD2 . . 2.860 2.143 1.959 2.346 . 0 0 "[ . 1 . 2]" 1
800 1 37 LEU HA 1 37 LEU HG . . 3.590 2.850 2.783 2.997 . 0 0 "[ . 1 . 2]" 1
801 1 37 LEU HA 1 38 GLU H . . 3.030 2.151 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
802 1 37 LEU HA 1 39 ASP H . . 4.000 3.731 3.555 3.898 . 0 0 "[ . 1 . 2]" 1
803 1 37 LEU QB 1 37 LEU MD1 . . 2.910 2.057 1.998 2.094 . 0 0 "[ . 1 . 2]" 1
804 1 37 LEU QB 1 38 GLU H . . 4.110 3.418 3.141 3.601 . 0 0 "[ . 1 . 2]" 1
805 1 37 LEU QB 1 39 ASP H . . 3.560 2.785 2.592 3.041 . 0 0 "[ . 1 . 2]" 1
806 1 37 LEU QB 1 40 PRO HA . . 3.980 3.608 3.526 3.701 . 0 0 "[ . 1 . 2]" 1
807 1 37 LEU HB2 1 37 LEU MD1 . . 3.340 2.235 2.091 2.363 . 0 0 "[ . 1 . 2]" 1
808 1 37 LEU HB2 1 38 GLU H . . 4.710 4.416 4.251 4.509 . 0 0 "[ . 1 . 2]" 1
809 1 37 LEU HB3 1 37 LEU MD1 . . 3.340 2.414 2.339 2.539 . 0 0 "[ . 1 . 2]" 1
810 1 37 LEU HB3 1 38 GLU H . . 4.710 3.562 3.230 3.787 . 0 0 "[ . 1 . 2]" 1
811 1 37 LEU MD1 1 40 PRO HA . . 3.630 3.607 3.533 3.634 0.004 11 0 "[ . 1 . 2]" 1
812 1 37 LEU MD1 1 42 SER H . . 4.390 3.810 3.382 4.417 0.027 11 0 "[ . 1 . 2]" 1
813 1 37 LEU MD1 1 42 SER QB . . 4.330 2.268 1.884 3.380 . 0 0 "[ . 1 . 2]" 1
814 1 37 LEU MD1 1 43 LEU H . . 4.290 2.918 2.550 3.745 . 0 0 "[ . 1 . 2]" 1
815 1 37 LEU MD2 1 38 GLU H . . 4.100 3.441 2.910 3.690 . 0 0 "[ . 1 . 2]" 1
816 1 37 LEU MD2 1 39 ASP H . . 4.450 3.768 3.531 4.287 . 0 0 "[ . 1 . 2]" 1
817 1 37 LEU MD2 1 42 SER QB . . 4.240 2.340 1.903 3.738 . 0 0 "[ . 1 . 2]" 1
818 1 38 GLU H 1 38 GLU QB . . 3.130 2.343 2.127 2.544 . 0 0 "[ . 1 . 2]" 1
819 1 38 GLU H 1 38 GLU HG2 . . 4.610 3.575 1.980 4.523 . 0 0 "[ . 1 . 2]" 1
820 1 38 GLU H 1 38 GLU QG . . 3.850 3.008 1.968 3.888 0.038 17 0 "[ . 1 . 2]" 1
821 1 38 GLU H 1 38 GLU HG3 . . 4.610 3.552 2.046 4.493 . 0 0 "[ . 1 . 2]" 1
822 1 38 GLU H 1 39 ASP H . . 3.560 2.825 2.384 3.006 . 0 0 "[ . 1 . 2]" 1
823 1 38 GLU QB 1 39 ASP H . . 3.360 2.733 2.558 2.897 . 0 0 "[ . 1 . 2]" 1
824 1 38 GLU QB 1 39 ASP QB . . 4.320 3.736 3.215 4.193 . 0 0 "[ . 1 . 2]" 1
825 1 39 ASP H 1 39 ASP HB2 . . 3.870 2.989 2.464 3.732 . 0 0 "[ . 1 . 2]" 1
826 1 39 ASP H 1 39 ASP QB . . 3.210 2.777 2.428 3.226 0.016 6 0 "[ . 1 . 2]" 1
827 1 39 ASP H 1 39 ASP HB3 . . 3.870 3.509 2.919 3.872 0.002 14 0 "[ . 1 . 2]" 1
828 1 39 ASP HA 1 40 PRO HD2 . . 3.640 2.183 1.914 2.255 . 0 0 "[ . 1 . 2]" 1
829 1 39 ASP HA 1 40 PRO QD . . 3.170 1.975 1.860 2.010 . 0 0 "[ . 1 . 2]" 1
830 1 39 ASP HA 1 40 PRO HD3 . . 3.640 2.269 2.251 2.530 . 0 0 "[ . 1 . 2]" 1
831 1 39 ASP QB 1 40 PRO QD . . 4.420 2.719 2.237 3.479 . 0 0 "[ . 1 . 2]" 1
832 1 39 ASP QB 1 41 ARG H . . 4.190 2.656 2.287 3.420 . 0 0 "[ . 1 . 2]" 1
833 1 39 ASP QB 1 41 ARG QB . . 4.630 3.170 2.729 3.939 . 0 0 "[ . 1 . 2]" 1
834 1 39 ASP QB 1 42 SER H . . 4.480 4.011 2.802 4.487 0.007 8 0 "[ . 1 . 2]" 1
835 1 39 ASP QB 1 42 SER QB . . 3.890 3.516 3.060 3.904 0.014 2 0 "[ . 1 . 2]" 1
836 1 40 PRO HA 1 42 SER H . . 4.470 3.695 3.379 4.225 . 0 0 "[ . 1 . 2]" 1
837 1 40 PRO HA 1 58 TYR HH . . 4.220 3.103 2.191 3.854 . 0 0 "[ . 1 . 2]" 1
838 1 40 PRO QB 1 58 TYR QE . . 4.460 3.744 3.463 4.189 . 0 0 "[ . 1 . 2]" 1
839 1 40 PRO QB 1 58 TYR HH . . 3.460 2.178 1.960 2.678 . 0 0 "[ . 1 . 2]" 1
840 1 40 PRO QB 1 69 ILE MD . . 3.630 2.187 1.956 2.460 . 0 0 "[ . 1 . 2]" 1
841 1 40 PRO QB 1 69 ILE MG . . 3.350 3.126 2.657 3.358 0.008 11 0 "[ . 1 . 2]" 1
842 1 40 PRO HB2 1 58 TYR HH . . 4.190 2.241 1.997 2.813 . 0 0 "[ . 1 . 2]" 1
843 1 40 PRO HB2 1 69 ILE MD . . 4.490 2.205 1.966 2.487 . 0 0 "[ . 1 . 2]" 1
844 1 40 PRO HB2 1 76 VAL MG2 . . 3.740 2.813 2.458 3.222 . 0 0 "[ . 1 . 2]" 1
845 1 40 PRO HB3 1 58 TYR HH . . 4.190 3.132 2.593 3.795 . 0 0 "[ . 1 . 2]" 1
846 1 40 PRO HB3 1 69 ILE MD . . 4.490 3.660 3.420 3.960 . 0 0 "[ . 1 . 2]" 1
847 1 40 PRO HB3 1 76 VAL MG2 . . 3.740 2.465 2.124 2.928 . 0 0 "[ . 1 . 2]" 1
848 1 40 PRO QD 1 41 ARG H . . 4.050 2.718 2.617 2.970 . 0 0 "[ . 1 . 2]" 1
849 1 40 PRO QD 1 76 VAL MG2 . . 5.200 4.042 3.739 4.371 . 0 0 "[ . 1 . 2]" 1
850 1 40 PRO QG 1 41 ARG H . . 4.020 2.819 2.515 3.305 . 0 0 "[ . 1 . 2]" 1
851 1 40 PRO QG 1 69 ILE MD . . 3.850 2.137 1.931 2.562 . 0 0 "[ . 1 . 2]" 1
852 1 40 PRO HG2 1 69 ILE MD . . 4.650 2.167 1.963 2.603 . 0 0 "[ . 1 . 2]" 1
853 1 40 PRO HG3 1 69 ILE MD . . 4.650 3.284 2.865 3.831 . 0 0 "[ . 1 . 2]" 1
854 1 41 ARG H 1 41 ARG HB2 . . 3.740 2.371 2.242 2.494 . 0 0 "[ . 1 . 2]" 1
855 1 41 ARG H 1 41 ARG QB . . 3.220 2.339 2.219 2.455 . 0 0 "[ . 1 . 2]" 1
856 1 41 ARG H 1 41 ARG HB3 . . 3.740 3.593 3.530 3.670 . 0 0 "[ . 1 . 2]" 1
857 1 41 ARG H 1 41 ARG HG2 . . 4.180 3.585 2.447 4.127 . 0 0 "[ . 1 . 2]" 1
858 1 41 ARG H 1 41 ARG QG . . 3.410 2.700 2.366 3.099 . 0 0 "[ . 1 . 2]" 1
859 1 41 ARG H 1 41 ARG HG3 . . 4.180 2.873 2.453 3.631 . 0 0 "[ . 1 . 2]" 1
860 1 41 ARG H 1 42 SER H . . 3.410 2.985 2.406 3.393 . 0 0 "[ . 1 . 2]" 1
861 1 41 ARG HA 1 41 ARG QG . . 3.620 2.333 2.182 2.588 . 0 0 "[ . 1 . 2]" 1
862 1 41 ARG HA 1 43 LEU H . . 4.430 4.309 4.036 4.421 . 0 0 "[ . 1 . 2]" 1
863 1 41 ARG HA 1 56 TRP HE1 . . 4.300 3.143 2.316 4.177 . 0 0 "[ . 1 . 2]" 1
864 1 41 ARG HA 1 56 TRP HZ2 . . 4.180 2.949 2.245 3.950 . 0 0 "[ . 1 . 2]" 1
865 1 41 ARG HA 1 69 ILE MD . . 4.520 3.137 2.830 3.557 . 0 0 "[ . 1 . 2]" 1
866 1 41 ARG QB 1 41 ARG QD . . 3.310 2.162 2.034 2.420 . 0 0 "[ . 1 . 2]" 1
867 1 41 ARG QB 1 56 TRP HH2 . . 4.300 3.107 2.448 4.027 . 0 0 "[ . 1 . 2]" 1
868 1 41 ARG QB 1 56 TRP HZ2 . . 4.280 3.342 2.369 4.183 . 0 0 "[ . 1 . 2]" 1
869 1 41 ARG QD 1 56 TRP QB . . 5.180 4.809 3.971 5.179 . 0 0 "[ . 1 . 2]" 1
870 1 41 ARG QD 1 56 TRP HH2 . . 4.770 3.305 2.405 4.773 0.003 6 0 "[ . 1 . 2]" 1
871 1 41 ARG QD 1 69 ILE MD . . 4.090 3.235 2.426 4.010 . 0 0 "[ . 1 . 2]" 1
872 1 41 ARG HD2 1 56 TRP HZ3 . . 4.530 3.378 2.291 4.530 0.000 6 0 "[ . 1 . 2]" 1
873 1 41 ARG HD3 1 56 TRP HZ3 . . 4.530 3.420 2.281 4.511 . 0 0 "[ . 1 . 2]" 1
874 1 41 ARG QG 1 69 ILE MD . . 3.010 2.138 1.727 2.740 . 0 0 "[ . 1 . 2]" 1
875 1 41 ARG HG2 1 69 ILE MD . . 3.700 2.387 1.892 2.902 . 0 0 "[ . 1 . 2]" 1
876 1 41 ARG HG3 1 69 ILE MD . . 3.700 2.550 1.937 3.534 . 0 0 "[ . 1 . 2]" 1
877 1 42 SER H 1 42 SER HB2 . . 3.880 2.738 2.195 3.730 . 0 0 "[ . 1 . 2]" 1
878 1 42 SER H 1 42 SER HB3 . . 3.880 2.809 2.413 3.646 . 0 0 "[ . 1 . 2]" 1
879 1 42 SER H 1 43 LEU H . . 3.540 2.389 1.972 3.174 . 0 0 "[ . 1 . 2]" 1
880 1 42 SER QB 1 43 LEU H . . 4.230 2.439 2.167 3.327 . 0 0 "[ . 1 . 2]" 1
881 1 42 SER HB2 1 43 LEU H . . 4.850 3.614 2.755 3.931 . 0 0 "[ . 1 . 2]" 1
882 1 42 SER HB3 1 43 LEU H . . 4.850 2.533 2.191 3.966 . 0 0 "[ . 1 . 2]" 1
883 1 43 LEU H 1 43 LEU QB . . 3.560 2.321 2.256 2.505 . 0 0 "[ . 1 . 2]" 1
884 1 43 LEU H 1 43 LEU HG . . 4.660 3.200 2.554 4.246 . 0 0 "[ . 1 . 2]" 1
885 1 43 LEU H 1 58 TYR QE . . 4.480 3.337 2.936 3.988 . 0 0 "[ . 1 . 2]" 1
886 1 43 LEU HA 1 43 LEU MD1 . . 4.020 3.749 2.595 3.907 . 0 0 "[ . 1 . 2]" 1
887 1 43 LEU HA 1 43 LEU QD . . 3.030 2.194 1.983 2.867 . 0 0 "[ . 1 . 2]" 1
888 1 43 LEU HA 1 43 LEU MD2 . . 4.020 2.304 1.989 3.790 . 0 0 "[ . 1 . 2]" 1
889 1 43 LEU HA 1 43 LEU HG . . 4.230 2.765 2.341 3.160 . 0 0 "[ . 1 . 2]" 1
890 1 43 LEU QB 1 43 LEU QD . . 2.660 1.880 1.816 1.937 . 0 0 "[ . 1 . 2]" 1
891 1 43 LEU QB 1 44 GLY H . . 3.780 2.966 1.908 3.787 0.007 10 0 "[ . 1 . 2]" 1
892 1 43 LEU QB 1 44 GLY QA . . 5.180 3.675 3.408 3.978 . 0 0 "[ . 1 . 2]" 1
893 1 43 LEU QB 1 58 TYR QE . . 3.530 3.017 2.276 3.531 0.001 5 0 "[ . 1 . 2]" 1
894 1 43 LEU HB2 1 44 GLY H . . 4.570 3.709 1.927 4.431 . 0 0 "[ . 1 . 2]" 1
895 1 43 LEU HB2 1 58 TYR QD . . 4.320 3.146 2.342 3.557 . 0 0 "[ . 1 . 2]" 1
896 1 43 LEU HB3 1 44 GLY H . . 4.570 3.339 2.684 4.367 . 0 0 "[ . 1 . 2]" 1
897 1 43 LEU HB3 1 58 TYR QD . . 4.320 3.094 2.741 3.547 . 0 0 "[ . 1 . 2]" 1
898 1 43 LEU QD 1 44 GLY H . . 4.770 3.648 2.946 4.492 . 0 0 "[ . 1 . 2]" 1
899 1 43 LEU QD 1 58 TYR QD . . 4.620 3.886 3.231 4.272 . 0 0 "[ . 1 . 2]" 1
900 1 44 GLY H 1 45 GLU H . . 4.720 4.495 4.360 4.634 . 0 0 "[ . 1 . 2]" 1
901 1 44 GLY QA 1 45 GLU QB . . 5.180 3.884 3.733 3.974 . 0 0 "[ . 1 . 2]" 1
902 1 44 GLY QA 1 56 TRP HE1 . . 3.830 2.119 1.892 2.707 . 0 0 "[ . 1 . 2]" 1
903 1 44 GLY QA 1 58 TYR QD . . 3.730 2.965 2.375 3.570 . 0 0 "[ . 1 . 2]" 1
904 1 44 GLY HA2 1 56 TRP HE1 . . 4.440 3.669 3.367 4.318 . 0 0 "[ . 1 . 2]" 1
905 1 44 GLY HA2 1 58 TYR HA . . 4.140 2.528 2.001 3.424 . 0 0 "[ . 1 . 2]" 1
906 1 44 GLY HA2 1 58 TYR QD . . 4.300 3.701 2.782 4.297 . 0 0 "[ . 1 . 2]" 1
907 1 44 GLY HA3 1 56 TRP HE1 . . 4.440 2.134 1.899 2.735 . 0 0 "[ . 1 . 2]" 1
908 1 44 GLY HA3 1 58 TYR HA . . 4.140 2.740 2.226 3.225 . 0 0 "[ . 1 . 2]" 1
909 1 44 GLY HA3 1 58 TYR QD . . 4.300 3.158 2.577 3.882 . 0 0 "[ . 1 . 2]" 1
910 1 45 GLU H 1 45 GLU QG . . 3.700 2.477 2.145 3.714 0.014 18 0 "[ . 1 . 2]" 1
911 1 45 GLU H 1 56 TRP HE1 . . 4.620 3.827 3.273 4.446 . 0 0 "[ . 1 . 2]" 1
912 1 45 GLU H 1 57 LYS H . . 4.090 2.944 2.265 3.549 . 0 0 "[ . 1 . 2]" 1
913 1 45 GLU H 1 57 LYS QB . . 4.480 3.153 2.608 4.482 0.002 16 0 "[ . 1 . 2]" 1
914 1 45 GLU H 1 58 TYR HA . . 4.810 3.759 3.084 4.108 . 0 0 "[ . 1 . 2]" 1
915 1 45 GLU HA 1 46 PRO HD2 . . 3.350 2.286 2.166 2.379 . 0 0 "[ . 1 . 2]" 1
916 1 45 GLU HA 1 46 PRO HD3 . . 3.350 2.266 2.251 2.290 . 0 0 "[ . 1 . 2]" 1
917 1 45 GLU HA 1 56 TRP HZ2 . . 4.300 3.481 3.059 3.822 . 0 0 "[ . 1 . 2]" 1
918 1 45 GLU QB 1 46 PRO QD . . 3.100 2.227 1.973 2.991 . 0 0 "[ . 1 . 2]" 1
919 1 45 GLU QG 1 57 LYS QB . . 3.830 2.639 1.914 3.835 0.005 16 0 "[ . 1 . 2]" 1
920 1 45 GLU QG 1 57 LYS QE . . 4.020 3.714 2.293 4.024 0.004 18 0 "[ . 1 . 2]" 1
921 1 46 PRO HA 1 47 LEU H . . 3.180 2.290 2.161 2.668 . 0 0 "[ . 1 . 2]" 1
922 1 46 PRO HA 1 56 TRP HA . . 3.620 2.763 1.999 3.549 . 0 0 "[ . 1 . 2]" 1
923 1 46 PRO HA 1 56 TRP QB . . 4.880 4.353 3.720 4.869 . 0 0 "[ . 1 . 2]" 1
924 1 46 PRO HA 1 56 TRP HE3 . . 4.070 2.820 2.203 3.241 . 0 0 "[ . 1 . 2]" 1
925 1 46 PRO HA 1 56 TRP HZ3 . . 4.420 3.479 2.165 4.195 . 0 0 "[ . 1 . 2]" 1
926 1 46 PRO HA 1 57 LYS H . . 4.710 3.767 3.101 4.339 . 0 0 "[ . 1 . 2]" 1
927 1 46 PRO QB 1 47 LEU H . . 3.750 2.932 1.992 3.708 . 0 0 "[ . 1 . 2]" 1
928 1 46 PRO QB 1 56 TRP HE3 . . 4.690 3.141 2.292 3.638 . 0 0 "[ . 1 . 2]" 1
929 1 46 PRO QB 1 56 TRP HZ3 . . 3.770 2.200 1.992 2.655 . 0 0 "[ . 1 . 2]" 1
930 1 46 PRO HB2 1 47 LEU H . . 4.480 3.081 2.013 4.019 . 0 0 "[ . 1 . 2]" 1
931 1 46 PRO HB2 1 56 TRP HZ3 . . 4.540 3.898 3.584 4.369 . 0 0 "[ . 1 . 2]" 1
932 1 46 PRO HB3 1 47 LEU H . . 4.480 3.737 3.186 4.352 . 0 0 "[ . 1 . 2]" 1
933 1 46 PRO HB3 1 56 TRP HZ3 . . 4.540 2.212 2.000 2.678 . 0 0 "[ . 1 . 2]" 1
934 1 46 PRO QD 1 56 TRP HH2 . . 3.880 2.604 2.234 2.850 . 0 0 "[ . 1 . 2]" 1
935 1 46 PRO QD 1 56 TRP HZ3 . . 4.630 3.248 2.287 4.034 . 0 0 "[ . 1 . 2]" 1
936 1 46 PRO HD2 1 56 TRP HH2 . . 4.610 4.314 3.851 4.616 0.006 18 0 "[ . 1 . 2]" 1
937 1 46 PRO HD3 1 56 TRP HH2 . . 4.610 2.626 2.249 2.877 . 0 0 "[ . 1 . 2]" 1
938 1 46 PRO QG 1 56 TRP HH2 . . 4.550 3.620 3.286 4.055 . 0 0 "[ . 1 . 2]" 1
939 1 46 PRO QG 1 56 TRP HZ3 . . 4.490 3.383 2.730 3.919 . 0 0 "[ . 1 . 2]" 1
940 1 47 LEU H 1 47 LEU HB2 . . 3.730 2.583 2.173 3.231 . 0 0 "[ . 1 . 2]" 1
941 1 47 LEU H 1 47 LEU QB . . 3.250 2.345 2.152 2.684 . 0 0 "[ . 1 . 2]" 1
942 1 47 LEU H 1 47 LEU HB3 . . 3.730 2.952 2.287 3.679 . 0 0 "[ . 1 . 2]" 1
943 1 47 LEU H 1 47 LEU QD . . 4.630 3.443 2.103 4.021 . 0 0 "[ . 1 . 2]" 1
944 1 47 LEU H 1 47 LEU HG . . 4.590 4.234 2.603 4.600 0.010 5 0 "[ . 1 . 2]" 1
945 1 47 LEU H 1 56 TRP HA . . 4.170 3.517 2.266 4.130 . 0 0 "[ . 1 . 2]" 1
946 1 47 LEU HA 1 47 LEU MD1 . . 4.050 2.815 1.981 3.852 . 0 0 "[ . 1 . 2]" 1
947 1 47 LEU HA 1 47 LEU QD . . 3.260 2.418 1.947 3.124 . 0 0 "[ . 1 . 2]" 1
948 1 47 LEU HA 1 47 LEU MD2 . . 4.050 3.266 1.982 4.002 . 0 0 "[ . 1 . 2]" 1
949 1 47 LEU HA 1 47 LEU HG . . 4.000 2.836 2.284 3.807 . 0 0 "[ . 1 . 2]" 1
950 1 47 LEU QB 1 55 PHE QB . . 3.610 2.626 2.215 3.240 . 0 0 "[ . 1 . 2]" 1
951 1 47 LEU QD 1 55 PHE H . . 5.000 3.686 2.155 4.495 . 0 0 "[ . 1 . 2]" 1
952 1 47 LEU QD 1 55 PHE QB . . 3.250 2.391 1.743 2.979 . 0 0 "[ . 1 . 2]" 1
953 1 47 LEU QD 1 55 PHE QD . . 4.220 3.000 1.936 3.942 . 0 0 "[ . 1 . 2]" 1
954 1 47 LEU QD 1 57 LYS QE . . 3.750 2.323 1.778 3.706 . 0 0 "[ . 1 . 2]" 1
955 1 47 LEU QD 1 88 TYR QD . . 5.030 4.640 3.409 5.033 0.003 5 0 "[ . 1 . 2]" 1
956 1 47 LEU QD 1 88 TYR QE . . 4.870 4.332 3.393 4.872 0.002 17 0 "[ . 1 . 2]" 1
957 1 47 LEU MD1 1 55 PHE HB2 . . 4.970 3.542 1.952 4.430 . 0 0 "[ . 1 . 2]" 1
958 1 47 LEU MD1 1 55 PHE HB3 . . 4.970 4.230 1.965 4.967 . 0 0 "[ . 1 . 2]" 1
959 1 47 LEU MD1 1 57 LYS HE2 . . 6.090 3.086 1.907 4.996 . 0 0 "[ . 1 . 2]" 1
960 1 47 LEU MD1 1 57 LYS HE3 . . 6.090 3.023 1.917 4.677 . 0 0 "[ . 1 . 2]" 1
961 1 47 LEU MD2 1 55 PHE HB2 . . 4.970 2.875 1.993 4.337 . 0 0 "[ . 1 . 2]" 1
962 1 47 LEU MD2 1 55 PHE HB3 . . 4.970 3.923 2.427 4.913 . 0 0 "[ . 1 . 2]" 1
963 1 47 LEU MD2 1 57 LYS HE2 . . 6.090 4.310 2.070 5.984 . 0 0 "[ . 1 . 2]" 1
964 1 47 LEU MD2 1 57 LYS HE3 . . 6.090 4.099 1.963 5.864 . 0 0 "[ . 1 . 2]" 1
965 1 48 ARG HA 1 48 ARG QD . . 4.020 3.426 2.041 4.098 0.078 12 0 "[ . 1 . 2]" 1
966 1 48 ARG HA 1 48 ARG QG . . 3.690 2.408 2.136 3.408 . 0 0 "[ . 1 . 2]" 1
967 1 48 ARG HA 1 49 GLY H . . 3.400 2.206 2.144 2.394 . 0 0 "[ . 1 . 2]" 1
968 1 48 ARG QB 1 49 GLY H . . 4.360 3.541 2.445 3.958 . 0 0 "[ . 1 . 2]" 1
969 1 49 GLY QA 1 50 PRO QD . . 2.650 1.986 1.912 2.035 . 0 0 "[ . 1 . 2]" 1
970 1 49 GLY QA 1 50 PRO QG . . 4.020 3.683 3.660 3.700 . 0 0 "[ . 1 . 2]" 1
971 1 49 GLY HA2 1 50 PRO HD2 . . 3.630 2.471 2.257 3.128 . 0 0 "[ . 1 . 2]" 1
972 1 49 GLY HA2 1 50 PRO HD3 . . 3.630 2.362 2.259 2.838 . 0 0 "[ . 1 . 2]" 1
973 1 49 GLY HA2 1 50 PRO QG . . 4.690 4.057 3.915 4.542 . 0 0 "[ . 1 . 2]" 1
974 1 49 GLY HA3 1 50 PRO HD2 . . 3.630 2.572 2.006 2.789 . 0 0 "[ . 1 . 2]" 1
975 1 49 GLY HA3 1 50 PRO HD3 . . 3.630 3.430 2.793 3.631 0.001 9 0 "[ . 1 . 2]" 1
976 1 49 GLY HA3 1 50 PRO QG . . 4.690 4.284 3.861 4.449 . 0 0 "[ . 1 . 2]" 1
977 1 50 PRO QG 1 51 GLU H . . 3.830 2.534 1.950 3.201 . 0 0 "[ . 1 . 2]" 1
978 1 51 GLU H 1 51 GLU QG . . 4.410 3.172 1.991 4.154 . 0 0 "[ . 1 . 2]" 1
979 1 51 GLU H 1 52 LEU H . . 4.050 2.525 1.860 3.778 . 0 0 "[ . 1 . 2]" 1
980 1 51 GLU HA 1 51 GLU QG . . 3.420 2.590 2.153 3.338 . 0 0 "[ . 1 . 2]" 1
981 1 51 GLU QB 1 52 LEU H . . 4.170 2.989 1.937 4.050 . 0 0 "[ . 1 . 2]" 1
982 1 52 LEU H 1 52 LEU QB . . 3.460 2.561 2.151 3.049 . 0 0 "[ . 1 . 2]" 1
983 1 52 LEU H 1 52 LEU MD1 . . 5.160 3.075 1.766 4.301 . 0 0 "[ . 1 . 2]" 1
984 1 52 LEU H 1 52 LEU QD . . 4.250 2.744 1.759 3.896 . 0 0 "[ . 1 . 2]" 1
985 1 52 LEU H 1 52 LEU MD2 . . 5.160 3.874 2.067 4.529 . 0 0 "[ . 1 . 2]" 1
986 1 52 LEU H 1 52 LEU HG . . 4.330 3.324 1.909 4.183 . 0 0 "[ . 1 . 2]" 1
987 1 52 LEU HA 1 52 LEU MD1 . . 4.270 3.431 1.969 3.941 . 0 0 "[ . 1 . 2]" 1
988 1 52 LEU HA 1 52 LEU QD . . 3.510 2.752 1.928 3.433 . 0 0 "[ . 1 . 2]" 1
989 1 52 LEU HA 1 52 LEU MD2 . . 4.270 3.131 2.207 4.056 . 0 0 "[ . 1 . 2]" 1
990 1 52 LEU HA 1 53 GLY HA2 . . 5.170 4.484 4.329 5.154 . 0 0 "[ . 1 . 2]" 1
991 1 52 LEU HA 1 53 GLY QA . . 4.500 3.946 3.889 4.254 . 0 0 "[ . 1 . 2]" 1
992 1 52 LEU HA 1 53 GLY HA3 . . 5.170 4.393 4.302 4.537 . 0 0 "[ . 1 . 2]" 1
993 1 52 LEU HA 1 55 PHE QD . . 4.380 4.064 3.259 4.368 . 0 0 "[ . 1 . 2]" 1
994 1 52 LEU QB 1 52 LEU QD . . 2.760 1.857 1.770 2.040 . 0 0 "[ . 1 . 2]" 1
995 1 52 LEU QB 1 53 GLY H . . 3.670 2.577 2.038 3.270 . 0 0 "[ . 1 . 2]" 1
996 1 52 LEU QB 1 55 PHE QD . . 4.260 2.603 2.002 4.016 . 0 0 "[ . 1 . 2]" 1
997 1 52 LEU QD 1 55 PHE QD . . 3.690 2.622 1.974 3.342 . 0 0 "[ . 1 . 2]" 1
998 1 53 GLY QA 1 54 ARG HA . . 4.810 3.974 3.931 4.061 . 0 0 "[ . 1 . 2]" 1
999 1 53 GLY HA2 1 54 ARG HA . . 5.500 4.534 4.345 4.843 . 0 0 "[ . 1 . 2]" 1
1000 1 53 GLY HA3 1 54 ARG HA . . 5.500 4.404 4.292 4.521 . 0 0 "[ . 1 . 2]" 1
1001 1 54 ARG H 1 54 ARG QG . . 4.570 3.530 2.066 4.146 . 0 0 "[ . 1 . 2]" 1
1002 1 54 ARG H 1 55 PHE H . . 4.120 3.709 2.600 4.116 . 0 0 "[ . 1 . 2]" 1
1003 1 54 ARG HA 1 54 ARG QD . . 4.160 3.499 2.002 4.236 0.076 5 0 "[ . 1 . 2]" 1
1004 1 54 ARG HA 1 54 ARG HG2 . . 3.800 2.975 2.196 3.704 . 0 0 "[ . 1 . 2]" 1
1005 1 54 ARG HA 1 54 ARG QG . . 3.310 2.430 2.157 3.332 0.022 5 0 "[ . 1 . 2]" 1
1006 1 54 ARG HA 1 54 ARG HG3 . . 3.800 2.822 2.194 3.844 0.044 5 0 "[ . 1 . 2]" 1
1007 1 54 ARG HA 1 55 PHE QD . . 5.190 4.729 4.058 5.192 0.002 11 0 "[ . 1 . 2]" 1
1008 1 54 ARG QB 1 54 ARG QD . . 3.500 2.262 2.050 2.692 . 0 0 "[ . 1 . 2]" 1
1009 1 54 ARG QB 1 55 PHE H . . 3.990 3.654 2.318 3.991 0.001 8 0 "[ . 1 . 2]" 1
1010 1 54 ARG QG 1 55 PHE H . . 4.600 4.070 3.156 4.622 0.022 10 0 "[ . 1 . 2]" 1
1011 1 55 PHE H 1 55 PHE HB2 . . 4.090 2.732 2.426 2.997 . 0 0 "[ . 1 . 2]" 1
1012 1 55 PHE H 1 55 PHE QB . . 3.310 2.669 2.392 2.914 . 0 0 "[ . 1 . 2]" 1
1013 1 55 PHE H 1 55 PHE HB3 . . 4.090 3.776 3.575 3.975 . 0 0 "[ . 1 . 2]" 1
1014 1 55 PHE H 1 55 PHE QD . . 4.140 3.271 2.007 4.021 . 0 0 "[ . 1 . 2]" 1
1015 1 55 PHE HA 1 55 PHE QD . . 3.500 2.507 2.028 3.079 . 0 0 "[ . 1 . 2]" 1
1016 1 55 PHE HA 1 56 TRP H . . 3.280 2.223 2.138 2.464 . 0 0 "[ . 1 . 2]" 1
1017 1 55 PHE HA 1 66 ILE MG . . 4.830 4.616 4.300 4.836 0.006 18 0 "[ . 1 . 2]" 1
1018 1 55 PHE HA 1 68 HIS HA . . 3.760 3.058 2.439 3.695 . 0 0 "[ . 1 . 2]" 1
1019 1 55 PHE QB 1 56 TRP H . . 3.680 2.981 2.293 3.551 . 0 0 "[ . 1 . 2]" 1
1020 1 55 PHE QB 1 66 ILE MG . . 3.360 2.694 2.292 3.005 . 0 0 "[ . 1 . 2]" 1
1021 1 55 PHE HB2 1 66 ILE MG . . 4.080 3.634 3.026 4.053 . 0 0 "[ . 1 . 2]" 1
1022 1 55 PHE HB3 1 66 ILE MG . . 4.080 2.783 2.372 3.119 . 0 0 "[ . 1 . 2]" 1
1023 1 55 PHE QD 1 66 ILE MG . . 4.110 3.799 3.170 4.104 . 0 0 "[ . 1 . 2]" 1
1024 1 55 PHE QD 1 68 HIS HA . . 3.930 3.073 2.274 3.919 . 0 0 "[ . 1 . 2]" 1
1025 1 55 PHE QD 1 68 HIS HB2 . . 4.450 2.876 2.209 3.384 . 0 0 "[ . 1 . 2]" 1
1026 1 55 PHE QD 1 79 LEU QD . . 3.790 2.593 2.046 3.667 . 0 0 "[ . 1 . 2]" 1
1027 1 56 TRP H 1 56 TRP HB2 . . 4.130 2.596 2.198 3.037 . 0 0 "[ . 1 . 2]" 1
1028 1 56 TRP H 1 56 TRP HB3 . . 4.130 2.823 2.585 3.031 . 0 0 "[ . 1 . 2]" 1
1029 1 56 TRP H 1 66 ILE MG . . 4.760 4.204 3.127 4.715 . 0 0 "[ . 1 . 2]" 1
1030 1 56 TRP H 1 68 HIS HA . . 4.750 3.000 2.486 3.936 . 0 0 "[ . 1 . 2]" 1
1031 1 56 TRP HA 1 56 TRP HE3 . . 4.360 2.907 2.256 3.327 . 0 0 "[ . 1 . 2]" 1
1032 1 56 TRP QB 1 67 CYS HB2 . . 5.340 3.620 2.762 4.234 . 0 0 "[ . 1 . 2]" 1
1033 1 56 TRP QB 1 69 ILE HG12 . . 4.190 3.713 3.392 4.132 . 0 0 "[ . 1 . 2]" 1
1034 1 56 TRP QB 1 69 ILE HG13 . . 3.860 2.456 2.123 3.216 . 0 0 "[ . 1 . 2]" 1
1035 1 56 TRP QB 1 69 ILE MG . . 5.060 4.406 4.166 4.833 . 0 0 "[ . 1 . 2]" 1
1036 1 56 TRP HB2 1 69 ILE MD . . 3.790 2.252 1.966 2.893 . 0 0 "[ . 1 . 2]" 1
1037 1 56 TRP HB2 1 69 ILE HG12 . . 4.780 4.219 3.892 4.694 . 0 0 "[ . 1 . 2]" 1
1038 1 56 TRP HB2 1 69 ILE HG13 . . 4.450 2.765 2.327 3.492 . 0 0 "[ . 1 . 2]" 1
1039 1 56 TRP HB3 1 69 ILE MD . . 3.790 2.817 2.255 3.561 . 0 0 "[ . 1 . 2]" 1
1040 1 56 TRP HB3 1 69 ILE HG12 . . 4.780 4.153 3.731 4.744 . 0 0 "[ . 1 . 2]" 1
1041 1 56 TRP HB3 1 69 ILE HG13 . . 4.450 2.821 2.247 3.763 . 0 0 "[ . 1 . 2]" 1
1042 1 56 TRP HD1 1 58 TYR QD . . 4.750 3.496 2.901 3.778 . 0 0 "[ . 1 . 2]" 1
1043 1 56 TRP HD1 1 58 TYR QE . . 4.310 3.006 2.632 3.334 . 0 0 "[ . 1 . 2]" 1
1044 1 56 TRP HD1 1 69 ILE MD . . 4.540 3.347 2.710 4.428 . 0 0 "[ . 1 . 2]" 1
1045 1 56 TRP HE1 1 58 TYR QE . . 4.230 3.371 2.191 4.111 . 0 0 "[ . 1 . 2]" 1
1046 1 57 LYS H 1 57 LYS QB . . 3.660 2.555 2.355 2.912 . 0 0 "[ . 1 . 2]" 1
1047 1 57 LYS H 1 57 LYS QG . . 4.810 3.513 2.352 4.176 . 0 0 "[ . 1 . 2]" 1
1048 1 57 LYS HA 1 57 LYS QE . . 5.040 4.209 3.694 4.874 . 0 0 "[ . 1 . 2]" 1
1049 1 57 LYS HA 1 57 LYS HG2 . . 4.110 3.308 2.344 3.882 . 0 0 "[ . 1 . 2]" 1
1050 1 57 LYS HA 1 57 LYS HG3 . . 4.110 2.868 2.182 4.201 0.091 16 0 "[ . 1 . 2]" 1
1051 1 57 LYS HA 1 58 TYR H . . 3.010 2.202 2.140 2.421 . 0 0 "[ . 1 . 2]" 1
1052 1 57 LYS HA 1 58 TYR HB2 . . 5.390 4.483 4.317 4.673 . 0 0 "[ . 1 . 2]" 1
1053 1 57 LYS HA 1 65 LEU H . . 5.210 4.676 4.380 5.194 . 0 0 "[ . 1 . 2]" 1
1054 1 57 LYS HA 1 66 ILE HA . . 3.730 2.466 2.170 2.738 . 0 0 "[ . 1 . 2]" 1
1055 1 57 LYS HA 1 66 ILE MD . . 4.600 4.001 2.867 4.602 0.002 20 0 "[ . 1 . 2]" 1
1056 1 57 LYS HA 1 67 CYS H . . 4.320 3.017 2.324 3.809 . 0 0 "[ . 1 . 2]" 1
1057 1 57 LYS QB 1 57 LYS QE . . 3.440 2.228 1.851 2.953 . 0 0 "[ . 1 . 2]" 1
1058 1 57 LYS QB 1 66 ILE HA . . 4.370 3.633 2.481 4.371 0.001 9 0 "[ . 1 . 2]" 1
1059 1 57 LYS QB 1 66 ILE MD . . 4.390 3.466 1.814 4.395 0.005 11 0 "[ . 1 . 2]" 1
1060 1 57 LYS QB 1 66 ILE MG . . 4.020 3.692 3.038 4.023 0.003 18 0 "[ . 1 . 2]" 1
1061 1 57 LYS HB2 1 58 TYR H . . 4.630 4.000 2.419 4.540 . 0 0 "[ . 1 . 2]" 1
1062 1 57 LYS HB3 1 58 TYR H . . 4.630 3.770 2.727 4.386 . 0 0 "[ . 1 . 2]" 1
1063 1 57 LYS QD 1 66 ILE MD . . 4.500 2.951 1.890 4.378 . 0 0 "[ . 1 . 2]" 1
1064 1 57 LYS QD 1 66 ILE MG . . 4.820 3.770 1.972 4.822 0.002 11 0 "[ . 1 . 2]" 1
1065 1 57 LYS HD2 1 66 ILE MD . . 5.130 3.614 2.352 4.968 . 0 0 "[ . 1 . 2]" 1
1066 1 57 LYS HD3 1 66 ILE MD . . 5.130 3.354 1.917 5.137 0.007 18 0 "[ . 1 . 2]" 1
1067 1 57 LYS QE 1 66 ILE MD . . 3.910 2.797 1.878 3.877 . 0 0 "[ . 1 . 2]" 1
1068 1 57 LYS QE 1 66 ILE MG . . 4.140 3.802 3.204 4.129 . 0 0 "[ . 1 . 2]" 1
1069 1 57 LYS HE2 1 66 ILE MD . . 4.470 3.303 1.889 4.299 . 0 0 "[ . 1 . 2]" 1
1070 1 57 LYS HE3 1 66 ILE MD . . 4.470 3.497 2.034 4.467 . 0 0 "[ . 1 . 2]" 1
1071 1 57 LYS QG 1 58 TYR H . . 4.300 3.302 2.214 4.199 . 0 0 "[ . 1 . 2]" 1
1072 1 57 LYS QG 1 65 LEU H . . 5.340 4.246 2.680 5.342 0.002 12 0 "[ . 1 . 2]" 1
1073 1 57 LYS QG 1 66 ILE MD . . 4.150 3.103 1.814 4.149 . 0 0 "[ . 1 . 2]" 1
1074 1 58 TYR H 1 58 TYR HB2 . . 3.890 2.493 2.305 2.695 . 0 0 "[ . 1 . 2]" 1
1075 1 58 TYR H 1 58 TYR QD . . 4.310 3.008 2.379 3.571 . 0 0 "[ . 1 . 2]" 1
1076 1 58 TYR H 1 65 LEU H . . 3.720 3.154 2.795 3.704 . 0 0 "[ . 1 . 2]" 1
1077 1 58 TYR H 1 65 LEU HB2 . . 4.190 3.212 2.824 3.721 . 0 0 "[ . 1 . 2]" 1
1078 1 58 TYR H 1 65 LEU HB3 . . 5.230 4.653 4.335 5.059 . 0 0 "[ . 1 . 2]" 1
1079 1 58 TYR H 1 66 ILE HA . . 4.750 3.496 2.971 3.919 . 0 0 "[ . 1 . 2]" 1
1080 1 58 TYR HA 1 58 TYR QD . . 3.520 2.676 2.123 3.034 . 0 0 "[ . 1 . 2]" 1
1081 1 58 TYR HA 1 59 ARG H . . 3.350 2.279 2.168 2.425 . 0 0 "[ . 1 . 2]" 1
1082 1 58 TYR HA 1 59 ARG QB . . 4.600 4.146 3.959 4.436 . 0 0 "[ . 1 . 2]" 1
1083 1 58 TYR HB2 1 59 ARG H . . 4.600 3.931 3.465 4.252 . 0 0 "[ . 1 . 2]" 1
1084 1 58 TYR HB2 1 60 VAL MG2 . . 4.610 3.988 3.682 4.192 . 0 0 "[ . 1 . 2]" 1
1085 1 58 TYR HB2 1 65 LEU H . . 4.630 3.699 3.134 4.144 . 0 0 "[ . 1 . 2]" 1
1086 1 58 TYR HB2 1 65 LEU HB2 . . 3.720 2.229 2.013 2.478 . 0 0 "[ . 1 . 2]" 1
1087 1 58 TYR HB2 1 65 LEU HB3 . . 4.300 3.885 3.704 4.060 . 0 0 "[ . 1 . 2]" 1
1088 1 58 TYR HB2 1 65 LEU MD1 . . 3.620 2.829 2.366 3.330 . 0 0 "[ . 1 . 2]" 1
1089 1 58 TYR HB2 1 65 LEU HG . . 4.680 3.872 3.552 4.328 . 0 0 "[ . 1 . 2]" 1
1090 1 58 TYR HB3 1 59 ARG H . . 4.050 2.787 2.417 3.193 . 0 0 "[ . 1 . 2]" 1
1091 1 58 TYR HB3 1 60 VAL MG2 . . 4.260 3.442 3.019 3.797 . 0 0 "[ . 1 . 2]" 1
1092 1 58 TYR HB3 1 65 LEU HB2 . . 4.050 3.722 3.137 4.052 0.002 18 0 "[ . 1 . 2]" 1
1093 1 58 TYR HB3 1 65 LEU MD1 . . 3.850 3.284 2.899 3.831 . 0 0 "[ . 1 . 2]" 1
1094 1 58 TYR QD 1 59 ARG H . . 4.810 3.620 3.076 3.919 . 0 0 "[ . 1 . 2]" 1
1095 1 58 TYR QD 1 65 LEU HB2 . . 3.850 3.253 2.465 3.785 . 0 0 "[ . 1 . 2]" 1
1096 1 58 TYR QD 1 65 LEU HB3 . . 4.590 4.276 3.481 4.592 0.002 10 0 "[ . 1 . 2]" 1
1097 1 58 TYR QD 1 65 LEU MD1 . . 4.990 3.959 3.355 4.556 . 0 0 "[ . 1 . 2]" 1
1098 1 58 TYR QD 1 76 VAL MG1 . . 4.640 4.224 3.941 4.551 . 0 0 "[ . 1 . 2]" 1
1099 1 58 TYR QE 1 58 TYR HH . . 3.330 2.413 2.194 2.639 . 0 0 "[ . 1 . 2]" 1
1100 1 58 TYR QE 1 67 CYS HB2 . . 4.630 2.251 1.997 2.963 . 0 0 "[ . 1 . 2]" 1
1101 1 58 TYR QE 1 67 CYS HB3 . . 4.700 3.445 2.668 4.149 . 0 0 "[ . 1 . 2]" 1
1102 1 58 TYR QE 1 69 ILE MD . . 4.130 3.828 3.325 4.051 . 0 0 "[ . 1 . 2]" 1
1103 1 58 TYR QE 1 76 VAL MG1 . . 3.550 2.579 2.341 2.886 . 0 0 "[ . 1 . 2]" 1
1104 1 58 TYR HH 1 69 ILE MD . . 4.170 2.898 2.169 3.828 . 0 0 "[ . 1 . 2]" 1
1105 1 59 ARG H 1 59 ARG QB . . 3.640 2.678 2.243 3.142 . 0 0 "[ . 1 . 2]" 1
1106 1 59 ARG H 1 59 ARG HG2 . . 4.580 3.371 1.928 4.595 0.015 17 0 "[ . 1 . 2]" 1
1107 1 59 ARG H 1 59 ARG QG . . 4.000 3.074 1.889 4.054 0.054 19 0 "[ . 1 . 2]" 1
1108 1 59 ARG H 1 59 ARG HG3 . . 4.580 3.843 2.167 4.720 0.140 18 0 "[ . 1 . 2]" 1
1109 1 59 ARG HA 1 60 VAL H . . 3.450 2.154 2.140 2.197 . 0 0 "[ . 1 . 2]" 1
1110 1 59 ARG HA 1 64 ARG HA . . 3.850 3.026 2.662 3.387 . 0 0 "[ . 1 . 2]" 1
1111 1 59 ARG HA 1 64 ARG QD . . 4.240 2.917 2.503 3.584 . 0 0 "[ . 1 . 2]" 1
1112 1 59 ARG HA 1 65 LEU H . . 4.750 3.762 3.400 4.035 . 0 0 "[ . 1 . 2]" 1
1113 1 59 ARG QB 1 59 ARG QD . . 3.260 2.201 2.057 2.544 . 0 0 "[ . 1 . 2]" 1
1114 1 59 ARG QB 1 60 VAL H . . 3.940 3.461 3.091 3.809 . 0 0 "[ . 1 . 2]" 1
1115 1 59 ARG QG 1 60 VAL H . . 4.620 3.521 2.424 4.465 . 0 0 "[ . 1 . 2]" 1
1116 1 60 VAL H 1 60 VAL HB . . 3.590 2.649 2.524 2.779 . 0 0 "[ . 1 . 2]" 1
1117 1 60 VAL H 1 60 VAL MG1 . . 4.130 3.820 3.739 3.885 . 0 0 "[ . 1 . 2]" 1
1118 1 60 VAL H 1 60 VAL MG2 . . 3.850 3.031 2.846 3.304 . 0 0 "[ . 1 . 2]" 1
1119 1 60 VAL H 1 61 GLY H . . 5.030 3.776 3.493 4.027 . 0 0 "[ . 1 . 2]" 1
1120 1 60 VAL H 1 63 TYR H . . 4.010 3.098 2.848 3.516 . 0 0 "[ . 1 . 2]" 1
1121 1 60 VAL H 1 64 ARG HA . . 4.120 3.574 3.276 3.801 . 0 0 "[ . 1 . 2]" 1
1122 1 60 VAL H 1 64 ARG QD . . 4.350 4.054 3.478 4.351 0.001 18 0 "[ . 1 . 2]" 1
1123 1 60 VAL H 1 65 LEU H . . 5.500 4.649 4.350 5.039 . 0 0 "[ . 1 . 2]" 1
1124 1 60 VAL H 1 65 LEU MD1 . . 4.720 4.412 4.141 4.680 . 0 0 "[ . 1 . 2]" 1
1125 1 60 VAL HA 1 60 VAL MG1 . . 3.200 2.443 2.389 2.515 . 0 0 "[ . 1 . 2]" 1
1126 1 60 VAL HA 1 60 VAL MG2 . . 3.260 2.257 2.133 2.369 . 0 0 "[ . 1 . 2]" 1
1127 1 60 VAL HB 1 63 TYR H . . 4.750 3.728 3.411 4.015 . 0 0 "[ . 1 . 2]" 1
1128 1 60 VAL HB 1 63 TYR HB2 . . 4.090 2.597 2.077 3.059 . 0 0 "[ . 1 . 2]" 1
1129 1 60 VAL HB 1 63 TYR HB3 . . 4.590 3.863 3.505 4.204 . 0 0 "[ . 1 . 2]" 1
1130 1 60 VAL HB 1 65 LEU MD1 . . 4.280 3.151 2.828 3.698 . 0 0 "[ . 1 . 2]" 1
1131 1 60 VAL MG1 1 61 GLY HA2 . . 4.580 4.419 4.208 4.585 0.005 5 0 "[ . 1 . 2]" 1
1132 1 60 VAL MG1 1 61 GLY QA . . 3.740 3.322 3.149 3.441 . 0 0 "[ . 1 . 2]" 1
1133 1 60 VAL MG1 1 61 GLY HA3 . . 4.580 3.434 3.253 3.562 . 0 0 "[ . 1 . 2]" 1
1134 1 60 VAL MG1 1 63 TYR H . . 4.680 4.068 3.830 4.393 . 0 0 "[ . 1 . 2]" 1
1135 1 60 VAL MG1 1 63 TYR HB2 . . 4.280 3.029 2.730 3.213 . 0 0 "[ . 1 . 2]" 1
1136 1 60 VAL MG1 1 63 TYR HB3 . . 4.520 4.387 4.042 4.517 . 0 0 "[ . 1 . 2]" 1
1137 1 60 VAL MG1 1 63 TYR QD . . 4.060 3.675 3.466 3.955 . 0 0 "[ . 1 . 2]" 1
1138 1 60 VAL MG1 1 65 LEU MD1 . . 4.580 3.568 3.140 3.892 . 0 0 "[ . 1 . 2]" 1
1139 1 60 VAL MG2 1 65 LEU MD1 . . 3.090 1.926 1.723 2.362 . 0 0 "[ . 1 . 2]" 1
1140 1 60 VAL MG2 1 65 LEU HG . . 3.790 3.022 2.396 3.681 . 0 0 "[ . 1 . 2]" 1
1141 1 61 GLY QA 1 63 TYR H . . 5.070 3.887 3.628 4.126 . 0 0 "[ . 1 . 2]" 1
1142 1 62 ASP H 1 63 TYR H . . 4.320 2.595 2.307 2.955 . 0 0 "[ . 1 . 2]" 1
1143 1 62 ASP HA 1 84 ALA MB . . 4.000 3.079 2.183 3.728 . 0 0 "[ . 1 . 2]" 1
1144 1 62 ASP QB 1 63 TYR H . . 4.430 3.848 3.706 4.002 . 0 0 "[ . 1 . 2]" 1
1145 1 62 ASP QB 1 83 HIS HE1 . . 4.680 2.914 2.124 4.042 . 0 0 "[ . 1 . 2]" 1
1146 1 62 ASP QB 1 84 ALA MB . . 4.370 3.597 3.055 4.179 . 0 0 "[ . 1 . 2]" 1
1147 1 63 TYR H 1 63 TYR HB2 . . 3.260 2.777 2.573 2.903 . 0 0 "[ . 1 . 2]" 1
1148 1 63 TYR H 1 63 TYR HB3 . . 3.950 3.853 3.736 3.923 . 0 0 "[ . 1 . 2]" 1
1149 1 63 TYR H 1 63 TYR QD . . 3.280 2.897 2.665 3.018 . 0 0 "[ . 1 . 2]" 1
1150 1 63 TYR H 1 63 TYR QE . . 5.140 5.079 4.929 5.140 . 18 0 "[ . 1 . 2]" 1
1151 1 63 TYR H 1 64 ARG H . . 4.870 4.318 4.224 4.416 . 0 0 "[ . 1 . 2]" 1
1152 1 63 TYR H 1 83 HIS HA . . 5.500 4.862 4.747 5.015 . 0 0 "[ . 1 . 2]" 1
1153 1 63 TYR HA 1 63 TYR QD . . 4.080 3.132 3.069 3.167 . 0 0 "[ . 1 . 2]" 1
1154 1 63 TYR HA 1 64 ARG H . . 3.120 2.206 2.165 2.263 . 0 0 "[ . 1 . 2]" 1
1155 1 63 TYR HA 1 82 GLY H . . 5.500 5.440 5.336 5.503 0.003 19 0 "[ . 1 . 2]" 1
1156 1 63 TYR HA 1 83 HIS HA . . 3.400 2.034 1.998 2.159 . 0 0 "[ . 1 . 2]" 1
1157 1 63 TYR HA 1 84 ALA H . . 3.800 2.104 1.903 2.647 . 0 0 "[ . 1 . 2]" 1
1158 1 63 TYR HB2 1 64 ARG H . . 4.290 4.086 3.925 4.216 . 0 0 "[ . 1 . 2]" 1
1159 1 63 TYR HB2 1 65 LEU MD2 . . 4.340 3.808 3.585 4.068 . 0 0 "[ . 1 . 2]" 1
1160 1 63 TYR HB3 1 64 ARG H . . 3.570 3.008 2.794 3.198 . 0 0 "[ . 1 . 2]" 1
1161 1 63 TYR HB3 1 65 LEU MD2 . . 4.160 3.038 2.737 3.195 . 0 0 "[ . 1 . 2]" 1
1162 1 63 TYR HB3 1 81 VAL QG . . 4.110 3.980 3.710 4.112 0.002 2 0 "[ . 1 . 2]" 1
1163 1 63 TYR QD 1 64 ARG H . . 4.280 4.128 3.858 4.242 . 0 0 "[ . 1 . 2]" 1
1164 1 63 TYR QD 1 65 LEU MD2 . . 4.710 4.161 3.987 4.397 . 0 0 "[ . 1 . 2]" 1
1165 1 63 TYR QD 1 81 VAL QG . . 4.120 3.960 3.679 4.127 0.007 4 0 "[ . 1 . 2]" 1
1166 1 63 TYR QD 1 82 GLY H . . 5.040 4.936 4.710 5.040 0.000 12 0 "[ . 1 . 2]" 1
1167 1 63 TYR QD 1 82 GLY QA . . 4.350 4.011 3.674 4.223 . 0 0 "[ . 1 . 2]" 1
1168 1 63 TYR QD 1 83 HIS HA . . 3.970 2.740 2.188 3.164 . 0 0 "[ . 1 . 2]" 1
1169 1 63 TYR QE 1 83 HIS HA . . 4.580 4.024 3.629 4.444 . 0 0 "[ . 1 . 2]" 1
1170 1 63 TYR QE 1 83 HIS QB . . 4.100 3.264 2.850 3.606 . 0 0 "[ . 1 . 2]" 1
1171 1 64 ARG H 1 64 ARG HB2 . . 4.060 2.458 2.300 2.674 . 0 0 "[ . 1 . 2]" 1
1172 1 64 ARG H 1 64 ARG QB . . 3.340 2.421 2.272 2.617 . 0 0 "[ . 1 . 2]" 1
1173 1 64 ARG H 1 64 ARG HB3 . . 4.060 3.647 3.531 3.728 . 0 0 "[ . 1 . 2]" 1
1174 1 64 ARG H 1 64 ARG HG2 . . 4.650 3.049 2.375 4.187 . 0 0 "[ . 1 . 2]" 1
1175 1 64 ARG H 1 64 ARG QG . . 3.810 2.947 2.347 3.816 0.006 6 0 "[ . 1 . 2]" 1
1176 1 64 ARG H 1 64 ARG HG3 . . 4.650 4.030 3.673 4.398 . 0 0 "[ . 1 . 2]" 1
1177 1 64 ARG H 1 65 LEU H . . 4.720 4.469 4.390 4.533 . 0 0 "[ . 1 . 2]" 1
1178 1 64 ARG H 1 65 LEU MD2 . . 4.560 3.896 3.425 4.066 . 0 0 "[ . 1 . 2]" 1
1179 1 64 ARG H 1 82 GLY H . . 3.890 3.778 3.576 3.895 0.005 6 0 "[ . 1 . 2]" 1
1180 1 64 ARG H 1 83 HIS HA . . 4.200 2.922 2.638 3.132 . 0 0 "[ . 1 . 2]" 1
1181 1 64 ARG H 1 84 ALA H . . 4.480 3.173 2.704 3.509 . 0 0 "[ . 1 . 2]" 1
1182 1 64 ARG HA 1 64 ARG HD2 . . 4.080 2.622 2.020 3.534 . 0 0 "[ . 1 . 2]" 1
1183 1 64 ARG HA 1 64 ARG QD . . 3.490 2.122 2.008 2.569 . 0 0 "[ . 1 . 2]" 1
1184 1 64 ARG HA 1 64 ARG HD3 . . 4.080 2.931 2.043 3.658 . 0 0 "[ . 1 . 2]" 1
1185 1 64 ARG HA 1 65 LEU H . . 3.060 2.185 2.147 2.245 . 0 0 "[ . 1 . 2]" 1
1186 1 64 ARG HA 1 65 LEU MD2 . . 4.410 4.099 3.763 4.273 . 0 0 "[ . 1 . 2]" 1
1187 1 64 ARG HA 1 65 LEU HG . . 4.420 3.433 3.282 3.603 . 0 0 "[ . 1 . 2]" 1
1188 1 64 ARG QB 1 64 ARG QD . . 3.250 2.376 2.051 2.671 . 0 0 "[ . 1 . 2]" 1
1189 1 64 ARG QB 1 65 LEU H . . 3.620 3.048 2.843 3.281 . 0 0 "[ . 1 . 2]" 1
1190 1 64 ARG QB 1 82 GLY H . . 4.320 3.868 3.604 4.149 . 0 0 "[ . 1 . 2]" 1
1191 1 64 ARG QB 1 84 ALA HA . . 3.770 2.981 2.486 3.396 . 0 0 "[ . 1 . 2]" 1
1192 1 64 ARG QB 1 87 VAL QG . . 3.380 1.965 1.714 2.474 . 0 0 "[ . 1 . 2]" 1
1193 1 64 ARG HB2 1 65 LEU H . . 4.390 4.167 3.921 4.373 . 0 0 "[ . 1 . 2]" 1
1194 1 64 ARG HB2 1 84 ALA HA . . 4.520 3.049 2.513 3.516 . 0 0 "[ . 1 . 2]" 1
1195 1 64 ARG HB3 1 65 LEU H . . 4.390 3.135 2.900 3.391 . 0 0 "[ . 1 . 2]" 1
1196 1 64 ARG HB3 1 84 ALA HA . . 4.520 4.258 3.930 4.490 . 0 0 "[ . 1 . 2]" 1
1197 1 64 ARG QD 1 65 LEU H . . 4.300 3.458 2.811 4.099 . 0 0 "[ . 1 . 2]" 1
1198 1 64 ARG QG 1 65 LEU H . . 4.630 4.399 3.753 4.635 0.005 4 0 "[ . 1 . 2]" 1
1199 1 64 ARG QG 1 84 ALA HA . . 3.650 2.005 1.801 2.671 . 0 0 "[ . 1 . 2]" 1
1200 1 64 ARG HG2 1 65 LEU H . . 5.500 4.860 4.456 5.354 . 0 0 "[ . 1 . 2]" 1
1201 1 64 ARG HG2 1 84 ALA HA . . 4.180 2.127 1.997 2.703 . 0 0 "[ . 1 . 2]" 1
1202 1 64 ARG HG3 1 65 LEU H . . 5.500 5.129 3.858 5.426 . 0 0 "[ . 1 . 2]" 1
1203 1 64 ARG HG3 1 84 ALA HA . . 4.180 2.588 2.049 4.176 . 0 0 "[ . 1 . 2]" 1
1204 1 65 LEU H 1 65 LEU HB2 . . 3.730 2.840 2.749 2.935 . 0 0 "[ . 1 . 2]" 1
1205 1 65 LEU H 1 65 LEU HB3 . . 3.920 3.829 3.758 3.894 . 0 0 "[ . 1 . 2]" 1
1206 1 65 LEU H 1 65 LEU MD1 . . 4.050 3.881 3.774 4.004 . 0 0 "[ . 1 . 2]" 1
1207 1 65 LEU H 1 65 LEU MD2 . . 4.200 3.604 3.321 3.809 . 0 0 "[ . 1 . 2]" 1
1208 1 65 LEU H 1 65 LEU HG . . 3.880 2.634 2.489 2.754 . 0 0 "[ . 1 . 2]" 1
1209 1 65 LEU H 1 66 ILE QG . . 5.340 4.553 4.038 4.979 . 0 0 "[ . 1 . 2]" 1
1210 1 65 LEU HA 1 65 LEU MD2 . . 3.400 2.405 2.167 2.553 . 0 0 "[ . 1 . 2]" 1
1211 1 65 LEU HA 1 65 LEU HG . . 3.880 3.262 3.190 3.407 . 0 0 "[ . 1 . 2]" 1
1212 1 65 LEU HA 1 66 ILE H . . 2.970 2.161 2.139 2.238 . 0 0 "[ . 1 . 2]" 1
1213 1 65 LEU HA 1 81 VAL HA . . 3.700 2.646 2.516 2.763 . 0 0 "[ . 1 . 2]" 1
1214 1 65 LEU HA 1 81 VAL QG . . 5.080 3.068 2.628 3.683 . 0 0 "[ . 1 . 2]" 1
1215 1 65 LEU HA 1 82 GLY H . . 4.520 3.533 3.397 3.674 . 0 0 "[ . 1 . 2]" 1
1216 1 65 LEU HA 1 87 VAL QG . . 5.020 4.268 3.475 4.978 . 0 0 "[ . 1 . 2]" 1
1217 1 65 LEU HB2 1 65 LEU MD1 . . 3.310 2.235 2.107 2.336 . 0 0 "[ . 1 . 2]" 1
1218 1 65 LEU HB2 1 65 LEU MD2 . . 3.540 3.175 3.156 3.192 . 0 0 "[ . 1 . 2]" 1
1219 1 65 LEU HB2 1 78 VAL MG1 . . 4.840 4.515 4.174 4.833 . 0 0 "[ . 1 . 2]" 1
1220 1 65 LEU HB3 1 65 LEU MD1 . . 3.330 2.469 2.370 2.575 . 0 0 "[ . 1 . 2]" 1
1221 1 65 LEU HB3 1 65 LEU MD2 . . 3.360 2.214 2.109 2.391 . 0 0 "[ . 1 . 2]" 1
1222 1 65 LEU HB3 1 66 ILE H . . 3.990 3.467 2.917 3.878 . 0 0 "[ . 1 . 2]" 1
1223 1 65 LEU HB3 1 78 VAL MG1 . . 3.880 3.208 2.825 3.581 . 0 0 "[ . 1 . 2]" 1
1224 1 65 LEU MD2 1 66 ILE H . . 4.480 4.066 3.861 4.335 . 0 0 "[ . 1 . 2]" 1
1225 1 65 LEU MD2 1 81 VAL HA . . 3.520 2.781 2.335 3.150 . 0 0 "[ . 1 . 2]" 1
1226 1 65 LEU MD2 1 82 GLY H . . 4.130 3.193 2.766 3.575 . 0 0 "[ . 1 . 2]" 1
1227 1 66 ILE H 1 66 ILE HB . . 3.400 2.668 2.529 2.894 . 0 0 "[ . 1 . 2]" 1
1228 1 66 ILE H 1 66 ILE MD . . 4.190 3.053 1.881 4.165 . 0 0 "[ . 1 . 2]" 1
1229 1 66 ILE H 1 66 ILE HG12 . . 4.210 3.121 1.970 4.157 . 0 0 "[ . 1 . 2]" 1
1230 1 66 ILE H 1 66 ILE QG . . 3.580 2.587 1.959 3.520 . 0 0 "[ . 1 . 2]" 1
1231 1 66 ILE H 1 66 ILE HG13 . . 4.210 3.215 2.091 3.869 . 0 0 "[ . 1 . 2]" 1
1232 1 66 ILE H 1 66 ILE MG . . 4.320 3.830 3.786 3.948 . 0 0 "[ . 1 . 2]" 1
1233 1 66 ILE H 1 78 VAL MG1 . . 4.380 3.697 3.361 4.028 . 0 0 "[ . 1 . 2]" 1
1234 1 66 ILE H 1 79 LEU H . . 5.150 4.495 4.122 4.852 . 0 0 "[ . 1 . 2]" 1
1235 1 66 ILE H 1 80 ARG H . . 3.770 3.352 3.180 3.631 . 0 0 "[ . 1 . 2]" 1
1236 1 66 ILE H 1 80 ARG QG . . 5.340 5.005 4.098 5.340 . 0 0 "[ . 1 . 2]" 1
1237 1 66 ILE H 1 81 VAL HA . . 4.710 3.425 3.119 3.689 . 0 0 "[ . 1 . 2]" 1
1238 1 66 ILE H 1 81 VAL QG . . 4.790 3.866 3.305 4.638 . 0 0 "[ . 1 . 2]" 1
1239 1 66 ILE H 1 87 VAL QG . . 4.670 4.322 3.915 4.673 0.003 13 0 "[ . 1 . 2]" 1
1240 1 66 ILE HA 1 66 ILE MD . . 3.820 2.998 1.982 3.854 0.034 11 0 "[ . 1 . 2]" 1
1241 1 66 ILE HA 1 66 ILE MG . . 3.310 2.313 2.123 2.467 . 0 0 "[ . 1 . 2]" 1
1242 1 66 ILE HA 1 67 CYS H . . 2.970 2.173 2.140 2.190 . 0 0 "[ . 1 . 2]" 1
1243 1 66 ILE HB 1 66 ILE MD . . 3.530 2.694 2.200 3.229 . 0 0 "[ . 1 . 2]" 1
1244 1 66 ILE HB 1 80 ARG H . . 3.650 2.517 2.214 2.957 . 0 0 "[ . 1 . 2]" 1
1245 1 66 ILE HB 1 80 ARG QB . . 3.420 2.427 1.989 3.014 . 0 0 "[ . 1 . 2]" 1
1246 1 66 ILE MD 1 67 CYS H . . 5.400 4.698 3.827 5.395 . 0 0 "[ . 1 . 2]" 1
1247 1 66 ILE MG 1 67 CYS H . . 3.530 3.111 2.752 3.267 . 0 0 "[ . 1 . 2]" 1
1248 1 67 CYS H 1 67 CYS HB2 . . 3.750 2.650 2.376 2.807 . 0 0 "[ . 1 . 2]" 1
1249 1 67 CYS H 1 67 CYS HB3 . . 4.060 3.728 3.610 3.789 . 0 0 "[ . 1 . 2]" 1
1250 1 67 CYS H 1 67 CYS HG . . 3.870 2.930 2.469 3.865 . 0 0 "[ . 1 . 2]" 1
1251 1 67 CYS H 1 68 HIS H . . 4.650 4.510 4.489 4.534 . 0 0 "[ . 1 . 2]" 1
1252 1 67 CYS H 1 79 LEU QD . . 5.440 4.889 4.189 5.180 . 0 0 "[ . 1 . 2]" 1
1253 1 67 CYS HA 1 68 HIS H . . 3.120 2.432 2.363 2.474 . 0 0 "[ . 1 . 2]" 1
1254 1 67 CYS HA 1 76 VAL MG1 . . 4.590 3.968 3.679 4.250 . 0 0 "[ . 1 . 2]" 1
1255 1 67 CYS HA 1 78 VAL HA . . 3.390 2.047 1.997 2.163 . 0 0 "[ . 1 . 2]" 1
1256 1 67 CYS HA 1 79 LEU H . . 3.400 2.303 1.895 2.922 . 0 0 "[ . 1 . 2]" 1
1257 1 67 CYS HA 1 79 LEU QB . . 4.410 3.430 2.967 4.251 . 0 0 "[ . 1 . 2]" 1
1258 1 67 CYS HA 1 79 LEU QD . . 4.510 3.669 2.452 4.146 . 0 0 "[ . 1 . 2]" 1
1259 1 67 CYS HA 1 79 LEU HG . . 4.360 3.777 2.573 4.340 . 0 0 "[ . 1 . 2]" 1
1260 1 67 CYS HA 1 80 ARG H . . 4.770 4.162 3.802 4.543 . 0 0 "[ . 1 . 2]" 1
1261 1 67 CYS HB2 1 68 HIS H . . 4.000 3.443 3.207 3.855 . 0 0 "[ . 1 . 2]" 1
1262 1 67 CYS HB2 1 69 ILE MD . . 5.210 4.941 4.697 5.198 . 0 0 "[ . 1 . 2]" 1
1263 1 67 CYS HB2 1 69 ILE HG13 . . 5.280 4.245 3.904 4.703 . 0 0 "[ . 1 . 2]" 1
1264 1 67 CYS HB2 1 76 VAL MG1 . . 3.530 2.618 2.170 3.149 . 0 0 "[ . 1 . 2]" 1
1265 1 67 CYS HB2 1 78 VAL HA . . 4.490 4.046 3.716 4.484 . 0 0 "[ . 1 . 2]" 1
1266 1 67 CYS HB3 1 68 HIS H . . 3.790 2.434 2.281 2.612 . 0 0 "[ . 1 . 2]" 1
1267 1 67 CYS HB3 1 76 VAL MG1 . . 3.340 2.058 1.901 2.279 . 0 0 "[ . 1 . 2]" 1
1268 1 67 CYS HB3 1 76 VAL MG2 . . 5.500 4.508 3.990 4.841 . 0 0 "[ . 1 . 2]" 1
1269 1 67 CYS HB3 1 78 VAL HA . . 4.440 2.857 2.298 3.747 . 0 0 "[ . 1 . 2]" 1
1270 1 68 HIS H 1 68 HIS HB2 . . 3.940 2.940 2.817 3.253 . 0 0 "[ . 1 . 2]" 1
1271 1 68 HIS H 1 68 HIS HB3 . . 3.790 2.716 2.566 2.900 . 0 0 "[ . 1 . 2]" 1
1272 1 68 HIS H 1 76 VAL HA . . 5.050 4.227 4.041 4.496 . 0 0 "[ . 1 . 2]" 1
1273 1 68 HIS H 1 76 VAL MG1 . . 4.470 3.024 2.639 3.435 . 0 0 "[ . 1 . 2]" 1
1274 1 68 HIS H 1 77 LEU H . . 4.280 2.810 2.410 3.218 . 0 0 "[ . 1 . 2]" 1
1275 1 68 HIS H 1 77 LEU HB3 . . 4.270 3.773 3.360 4.059 . 0 0 "[ . 1 . 2]" 1
1276 1 68 HIS H 1 78 VAL HA . . 4.360 3.459 3.210 3.741 . 0 0 "[ . 1 . 2]" 1
1277 1 68 HIS H 1 79 LEU H . . 4.640 4.186 3.679 4.641 0.001 8 0 "[ . 1 . 2]" 1
1278 1 68 HIS H 1 79 LEU QD . . 4.600 3.681 2.225 4.282 . 0 0 "[ . 1 . 2]" 1
1279 1 68 HIS H 1 79 LEU HG . . 4.550 3.842 2.821 4.475 . 0 0 "[ . 1 . 2]" 1
1280 1 68 HIS HA 1 68 HIS HD2 . . 4.130 2.373 2.207 2.822 . 0 0 "[ . 1 . 2]" 1
1281 1 68 HIS HA 1 69 ILE H . . 3.260 2.152 2.140 2.179 . 0 0 "[ . 1 . 2]" 1
1282 1 68 HIS HA 1 69 ILE HG13 . . 4.600 3.893 3.746 4.041 . 0 0 "[ . 1 . 2]" 1
1283 1 68 HIS HA 1 79 LEU QD . . 4.450 3.673 2.762 4.105 . 0 0 "[ . 1 . 2]" 1
1284 1 68 HIS HB2 1 77 LEU HB3 . . 4.470 4.403 4.239 4.475 0.005 15 0 "[ . 1 . 2]" 1
1285 1 68 HIS HB2 1 77 LEU QD . . 4.340 4.037 3.435 4.235 . 0 0 "[ . 1 . 2]" 1
1286 1 68 HIS HB2 1 79 LEU MD1 . . 4.680 2.290 1.910 3.856 . 0 0 "[ . 1 . 2]" 1
1287 1 68 HIS HB2 1 79 LEU QD . . 3.570 2.110 1.809 2.446 . 0 0 "[ . 1 . 2]" 1
1288 1 68 HIS HB2 1 79 LEU MD2 . . 4.680 3.490 2.141 4.130 . 0 0 "[ . 1 . 2]" 1
1289 1 68 HIS HB3 1 77 LEU H . . 4.860 3.353 3.180 3.580 . 0 0 "[ . 1 . 2]" 1
1290 1 68 HIS HB3 1 77 LEU HB2 . . 4.710 4.659 4.394 4.713 0.003 5 0 "[ . 1 . 2]" 1
1291 1 68 HIS HB3 1 77 LEU HB3 . . 3.640 2.951 2.770 3.179 . 0 0 "[ . 1 . 2]" 1
1292 1 68 HIS HB3 1 77 LEU QD . . 3.940 3.292 3.081 3.623 . 0 0 "[ . 1 . 2]" 1
1293 1 68 HIS HB3 1 79 LEU MD1 . . 4.880 3.610 3.028 4.482 . 0 0 "[ . 1 . 2]" 1
1294 1 68 HIS HB3 1 79 LEU QD . . 3.960 3.249 2.499 3.546 . 0 0 "[ . 1 . 2]" 1
1295 1 68 HIS HB3 1 79 LEU MD2 . . 4.880 4.054 2.512 4.808 . 0 0 "[ . 1 . 2]" 1
1296 1 68 HIS HD2 1 69 ILE H . . 4.210 2.783 2.123 3.125 . 0 0 "[ . 1 . 2]" 1
1297 1 68 HIS HE1 1 70 GLN QE . . 4.520 3.713 3.124 4.519 . 0 0 "[ . 1 . 2]" 1
1298 1 68 HIS HE1 1 70 GLN QG . . 4.430 3.730 2.756 4.431 0.001 11 0 "[ . 1 . 2]" 1
1299 1 69 ILE H 1 69 ILE HB . . 3.660 2.487 2.448 2.523 . 0 0 "[ . 1 . 2]" 1
1300 1 69 ILE H 1 69 ILE MD . . 4.610 3.579 3.401 3.799 . 0 0 "[ . 1 . 2]" 1
1301 1 69 ILE H 1 69 ILE HG12 . . 4.630 3.643 3.490 3.851 . 0 0 "[ . 1 . 2]" 1
1302 1 69 ILE H 1 69 ILE HG13 . . 4.060 2.333 2.198 2.562 . 0 0 "[ . 1 . 2]" 1
1303 1 69 ILE HA 1 69 ILE MD . . 3.930 3.848 3.799 3.885 . 0 0 "[ . 1 . 2]" 1
1304 1 69 ILE HA 1 69 ILE HG12 . . 3.840 2.582 2.475 2.680 . 0 0 "[ . 1 . 2]" 1
1305 1 69 ILE HA 1 69 ILE HG13 . . 3.940 2.922 2.782 3.023 . 0 0 "[ . 1 . 2]" 1
1306 1 69 ILE HA 1 69 ILE MG . . 3.260 2.407 2.302 2.475 . 0 0 "[ . 1 . 2]" 1
1307 1 69 ILE HA 1 70 GLN H . . 2.990 2.143 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
1308 1 69 ILE HA 1 76 VAL MG2 . . 3.750 2.729 2.304 3.155 . 0 0 "[ . 1 . 2]" 1
1309 1 69 ILE HB 1 69 ILE MD . . 3.370 2.370 2.198 2.494 . 0 0 "[ . 1 . 2]" 1
1310 1 69 ILE MD 1 69 ILE MG . . 3.080 2.091 1.904 2.219 . 0 0 "[ . 1 . 2]" 1
1311 1 69 ILE MD 1 76 VAL MG1 . . 4.030 3.922 3.632 4.034 0.004 19 0 "[ . 1 . 2]" 1
1312 1 69 ILE MD 1 76 VAL MG2 . . 3.800 3.487 3.084 3.706 . 0 0 "[ . 1 . 2]" 1
1313 1 69 ILE HG12 1 69 ILE MG . . 3.690 2.266 2.170 2.385 . 0 0 "[ . 1 . 2]" 1
1314 1 69 ILE HG12 1 70 GLN H . . 4.490 4.476 4.407 4.493 0.003 4 0 "[ . 1 . 2]" 1
1315 1 69 ILE HG13 1 69 ILE MG . . 3.640 3.187 3.170 3.201 . 0 0 "[ . 1 . 2]" 1
1316 1 69 ILE MG 1 70 GLN H . . 3.830 2.678 2.350 3.034 . 0 0 "[ . 1 . 2]" 1
1317 1 69 ILE MG 1 70 GLN HA . . 4.550 3.756 3.562 3.868 . 0 0 "[ . 1 . 2]" 1
1318 1 69 ILE MG 1 71 ASP HA . . 4.470 3.554 3.417 3.816 . 0 0 "[ . 1 . 2]" 1
1319 1 69 ILE MG 1 71 ASP QB . . 5.340 4.046 3.426 4.754 . 0 0 "[ . 1 . 2]" 1
1320 1 70 GLN H 1 70 GLN HB2 . . 3.510 2.418 2.304 2.504 . 0 0 "[ . 1 . 2]" 1
1321 1 70 GLN H 1 70 GLN HB3 . . 4.140 3.638 3.562 3.686 . 0 0 "[ . 1 . 2]" 1
1322 1 70 GLN H 1 70 GLN HG2 . . 4.410 4.066 3.608 4.402 . 0 0 "[ . 1 . 2]" 1
1323 1 70 GLN H 1 70 GLN QG . . 3.600 3.023 2.631 3.601 0.001 18 0 "[ . 1 . 2]" 1
1324 1 70 GLN H 1 70 GLN HG3 . . 4.410 3.128 2.682 3.822 . 0 0 "[ . 1 . 2]" 1
1325 1 70 GLN H 1 75 THR H . . 4.550 3.188 2.980 3.653 . 0 0 "[ . 1 . 2]" 1
1326 1 70 GLN H 1 75 THR HB . . 4.800 4.404 4.124 4.744 . 0 0 "[ . 1 . 2]" 1
1327 1 70 GLN HA 1 70 GLN HG2 . . 3.830 2.628 2.284 3.516 . 0 0 "[ . 1 . 2]" 1
1328 1 70 GLN HA 1 70 GLN HG3 . . 3.830 2.866 2.203 3.269 . 0 0 "[ . 1 . 2]" 1
1329 1 70 GLN HA 1 71 ASP H . . 3.480 2.220 2.141 2.266 . 0 0 "[ . 1 . 2]" 1
1330 1 70 GLN HA 1 75 THR H . . 5.290 4.630 4.449 4.976 . 0 0 "[ . 1 . 2]" 1
1331 1 70 GLN HB2 1 75 THR H . . 3.730 2.608 2.369 3.057 . 0 0 "[ . 1 . 2]" 1
1332 1 70 GLN HB2 1 75 THR HA . . 5.300 4.678 4.409 4.979 . 0 0 "[ . 1 . 2]" 1
1333 1 70 GLN HB2 1 75 THR HB . . 3.930 2.852 2.526 3.299 . 0 0 "[ . 1 . 2]" 1
1334 1 70 GLN HB3 1 75 THR H . . 4.350 3.593 3.360 3.869 . 0 0 "[ . 1 . 2]" 1
1335 1 70 GLN QE 1 77 LEU QD . . 4.080 3.290 2.595 4.051 . 0 0 "[ . 1 . 2]" 1
1336 1 71 ASP H 1 71 ASP QB . . 3.590 2.348 2.148 2.608 . 0 0 "[ . 1 . 2]" 1
1337 1 71 ASP HA 1 74 ALA H . . 4.030 2.980 2.770 3.197 . 0 0 "[ . 1 . 2]" 1
1338 1 71 ASP HA 1 74 ALA HA . . 4.050 2.808 2.619 2.967 . 0 0 "[ . 1 . 2]" 1
1339 1 71 ASP HA 1 74 ALA MB . . 4.650 3.723 3.506 3.859 . 0 0 "[ . 1 . 2]" 1
1340 1 71 ASP HA 1 75 THR H . . 5.500 4.477 4.281 4.656 . 0 0 "[ . 1 . 2]" 1
1341 1 72 ARG HA 1 72 ARG QD . . 4.850 3.350 2.079 4.417 . 0 0 "[ . 1 . 2]" 1
1342 1 72 ARG HA 1 72 ARG QG . . 3.520 2.654 2.175 3.342 . 0 0 "[ . 1 . 2]" 1
1343 1 72 ARG HA 1 74 ALA H . . 4.810 4.347 3.961 4.456 . 0 0 "[ . 1 . 2]" 1
1344 1 72 ARG QB 1 73 GLU H . . 4.040 2.472 2.119 3.381 . 0 0 "[ . 1 . 2]" 1
1345 1 73 GLU H 1 73 GLU HB2 . . 4.090 2.518 2.355 2.659 . 0 0 "[ . 1 . 2]" 1
1346 1 73 GLU H 1 73 GLU QB . . 3.240 2.477 2.326 2.608 . 0 0 "[ . 1 . 2]" 1
1347 1 73 GLU H 1 73 GLU HB3 . . 4.090 3.678 3.601 3.771 . 0 0 "[ . 1 . 2]" 1
1348 1 73 GLU H 1 73 GLU QG . . 3.320 3.248 2.750 3.325 0.005 5 0 "[ . 1 . 2]" 1
1349 1 73 GLU HA 1 73 GLU HG2 . . 3.720 2.715 2.333 3.572 . 0 0 "[ . 1 . 2]" 1
1350 1 73 GLU HA 1 73 GLU QG . . 3.250 2.516 2.249 2.959 . 0 0 "[ . 1 . 2]" 1
1351 1 73 GLU HA 1 73 GLU HG3 . . 3.720 3.280 2.446 3.700 . 0 0 "[ . 1 . 2]" 1
1352 1 73 GLU HA 1 74 ALA MB . . 4.530 3.821 3.752 3.934 . 0 0 "[ . 1 . 2]" 1
1353 1 73 GLU QB 1 74 ALA H . . 3.880 3.687 3.348 3.802 . 0 0 "[ . 1 . 2]" 1
1354 1 73 GLU QB 1 75 THR H . . 4.270 3.615 3.135 3.823 . 0 0 "[ . 1 . 2]" 1
1355 1 73 GLU QB 1 75 THR HB . . 3.510 3.262 2.864 3.492 . 0 0 "[ . 1 . 2]" 1
1356 1 73 GLU HB2 1 74 ALA H . . 4.460 4.000 3.530 4.168 . 0 0 "[ . 1 . 2]" 1
1357 1 73 GLU HB2 1 75 THR HB . . 4.260 3.479 3.007 3.709 . 0 0 "[ . 1 . 2]" 1
1358 1 73 GLU HB3 1 74 ALA H . . 4.460 4.327 4.160 4.480 0.020 5 0 "[ . 1 . 2]" 1
1359 1 73 GLU HB3 1 75 THR HB . . 4.260 4.016 3.150 4.260 . 0 0 "[ . 1 . 2]" 1
1360 1 74 ALA H 1 74 ALA HA . . 2.940 2.301 2.282 2.317 . 0 0 "[ . 1 . 2]" 1
1361 1 74 ALA H 1 74 ALA MB . . 3.330 2.717 2.622 2.779 . 0 0 "[ . 1 . 2]" 1
1362 1 74 ALA HA 1 75 THR H . . 3.410 2.690 2.638 2.801 . 0 0 "[ . 1 . 2]" 1
1363 1 74 ALA MB 1 75 THR H . . 4.210 3.710 3.684 3.718 . 0 0 "[ . 1 . 2]" 1
1364 1 75 THR H 1 75 THR HB . . 3.540 2.609 2.533 2.868 . 0 0 "[ . 1 . 2]" 1
1365 1 75 THR H 1 75 THR MG . . 4.590 3.823 3.773 3.954 . 0 0 "[ . 1 . 2]" 1
1366 1 75 THR HA 1 75 THR MG . . 3.310 2.426 2.204 2.521 . 0 0 "[ . 1 . 2]" 1
1367 1 75 THR HA 1 76 VAL H . . 2.970 2.169 2.142 2.260 . 0 0 "[ . 1 . 2]" 1
1368 1 75 THR HA 1 76 VAL HB . . 5.500 4.668 4.576 4.750 . 0 0 "[ . 1 . 2]" 1
1369 1 75 THR HA 1 76 VAL MG2 . . 4.450 3.570 3.417 3.731 . 0 0 "[ . 1 . 2]" 1
1370 1 75 THR HB 1 76 VAL H . . 4.590 4.177 3.775 4.294 . 0 0 "[ . 1 . 2]" 1
1371 1 75 THR MG 1 76 VAL H . . 3.400 2.432 1.994 2.752 . 0 0 "[ . 1 . 2]" 1
1372 1 75 THR MG 1 76 VAL HA . . 4.310 3.741 3.502 3.971 . 0 0 "[ . 1 . 2]" 1
1373 1 75 THR MG 1 77 LEU H . . 4.410 4.051 3.596 4.410 0.000 5 0 "[ . 1 . 2]" 1
1374 1 75 THR MG 1 77 LEU HA . . 4.400 4.095 3.881 4.260 . 0 0 "[ . 1 . 2]" 1
1375 1 76 VAL H 1 76 VAL HB . . 3.510 2.583 2.536 2.630 . 0 0 "[ . 1 . 2]" 1
1376 1 76 VAL H 1 76 VAL MG1 . . 4.470 3.820 3.797 3.835 . 0 0 "[ . 1 . 2]" 1
1377 1 76 VAL H 1 76 VAL MG2 . . 3.610 2.517 2.240 2.783 . 0 0 "[ . 1 . 2]" 1
1378 1 76 VAL HA 1 76 VAL MG1 . . 3.240 2.339 2.210 2.470 . 0 0 "[ . 1 . 2]" 1
1379 1 76 VAL HA 1 76 VAL MG2 . . 3.170 2.394 2.285 2.510 . 0 0 "[ . 1 . 2]" 1
1380 1 76 VAL HA 1 77 LEU H . . 2.980 2.161 2.142 2.206 . 0 0 "[ . 1 . 2]" 1
1381 1 76 VAL MG1 1 77 LEU H . . 3.880 2.554 1.987 3.036 . 0 0 "[ . 1 . 2]" 1
1382 1 76 VAL MG2 1 77 LEU H . . 4.530 4.106 3.978 4.246 . 0 0 "[ . 1 . 2]" 1
1383 1 77 LEU H 1 77 LEU HB2 . . 3.820 3.143 2.805 3.359 . 0 0 "[ . 1 . 2]" 1
1384 1 77 LEU H 1 77 LEU HB3 . . 3.600 2.501 2.350 2.742 . 0 0 "[ . 1 . 2]" 1
1385 1 77 LEU H 1 77 LEU QD . . 4.550 3.837 3.622 3.944 . 0 0 "[ . 1 . 2]" 1
1386 1 77 LEU H 1 78 VAL H . . 4.790 4.288 4.162 4.415 . 0 0 "[ . 1 . 2]" 1
1387 1 77 LEU HA 1 77 LEU QD . . 3.350 2.623 2.332 3.131 . 0 0 "[ . 1 . 2]" 1
1388 1 77 LEU HA 1 78 VAL H . . 2.960 2.144 2.139 2.157 . 0 0 "[ . 1 . 2]" 1
1389 1 77 LEU HA 1 78 VAL MG2 . . 4.030 3.629 3.503 3.769 . 0 0 "[ . 1 . 2]" 1
1390 1 77 LEU HB2 1 77 LEU MD1 . . 3.600 2.121 1.994 2.284 . 0 0 "[ . 1 . 2]" 1
1391 1 77 LEU HB2 1 77 LEU MD2 . . 3.600 2.719 2.540 3.142 . 0 0 "[ . 1 . 2]" 1
1392 1 77 LEU HB2 1 78 VAL H . . 4.380 4.212 4.080 4.320 . 0 0 "[ . 1 . 2]" 1
1393 1 77 LEU HB3 1 77 LEU MD1 . . 3.480 3.046 2.560 3.170 . 0 0 "[ . 1 . 2]" 1
1394 1 77 LEU HB3 1 77 LEU MD2 . . 3.480 2.128 2.038 2.220 . 0 0 "[ . 1 . 2]" 1
1395 1 77 LEU HB3 1 78 VAL H . . 4.710 4.344 4.178 4.452 . 0 0 "[ . 1 . 2]" 1
1396 1 77 LEU QD 1 78 VAL H . . 3.400 3.088 2.705 3.343 . 0 0 "[ . 1 . 2]" 1
1397 1 77 LEU MD1 1 78 VAL H . . 4.790 3.332 2.723 4.567 . 0 0 "[ . 1 . 2]" 1
1398 1 77 LEU MD2 1 78 VAL H . . 4.790 4.413 3.087 4.791 0.001 15 0 "[ . 1 . 2]" 1
1399 1 77 LEU HG 1 78 VAL H . . 4.930 3.113 2.698 3.368 . 0 0 "[ . 1 . 2]" 1
1400 1 78 VAL H 1 78 VAL HB . . 3.330 2.600 2.495 2.746 . 0 0 "[ . 1 . 2]" 1
1401 1 78 VAL H 1 78 VAL MG1 . . 4.130 3.767 3.742 3.787 . 0 0 "[ . 1 . 2]" 1
1402 1 78 VAL H 1 78 VAL MG2 . . 3.130 2.134 1.912 2.329 . 0 0 "[ . 1 . 2]" 1
1403 1 78 VAL HA 1 78 VAL MG1 . . 3.230 2.374 2.177 2.448 . 0 0 "[ . 1 . 2]" 1
1404 1 78 VAL HA 1 78 VAL MG2 . . 3.270 2.401 2.293 2.463 . 0 0 "[ . 1 . 2]" 1
1405 1 78 VAL HA 1 79 LEU H . . 2.970 2.194 2.140 2.353 . 0 0 "[ . 1 . 2]" 1
1406 1 78 VAL HA 1 80 ARG H . . 4.380 4.264 4.008 4.379 . 0 0 "[ . 1 . 2]" 1
1407 1 78 VAL HB 1 81 VAL QG . . 5.110 4.280 3.692 5.100 . 0 0 "[ . 1 . 2]" 1
1408 1 78 VAL MG1 1 79 LEU H . . 3.720 2.339 1.837 2.850 . 0 0 "[ . 1 . 2]" 1
1409 1 78 VAL MG1 1 80 ARG H . . 3.690 2.869 2.604 3.135 . 0 0 "[ . 1 . 2]" 1
1410 1 78 VAL MG1 1 81 VAL H . . 4.800 4.412 4.208 4.570 . 0 0 "[ . 1 . 2]" 1
1411 1 78 VAL MG1 1 81 VAL HA . . 4.640 4.083 3.849 4.253 . 0 0 "[ . 1 . 2]" 1
1412 1 78 VAL MG1 1 81 VAL HB . . 4.030 3.546 2.663 4.050 0.020 20 0 "[ . 1 . 2]" 1
1413 1 78 VAL MG1 1 81 VAL QG . . 3.180 2.346 1.787 3.207 0.027 4 0 "[ . 1 . 2]" 1
1414 1 78 VAL MG2 1 79 LEU H . . 4.310 4.035 3.851 4.222 . 0 0 "[ . 1 . 2]" 1
1415 1 79 LEU H 1 79 LEU HB2 . . 4.110 2.354 2.173 2.740 . 0 0 "[ . 1 . 2]" 1
1416 1 79 LEU H 1 79 LEU QB . . 3.460 2.323 2.152 2.683 . 0 0 "[ . 1 . 2]" 1
1417 1 79 LEU H 1 79 LEU HB3 . . 4.110 3.584 3.474 3.826 . 0 0 "[ . 1 . 2]" 1
1418 1 79 LEU H 1 79 LEU MD1 . . 4.300 3.928 3.617 4.174 . 0 0 "[ . 1 . 2]" 1
1419 1 79 LEU H 1 79 LEU MD2 . . 4.300 3.927 2.381 4.265 . 0 0 "[ . 1 . 2]" 1
1420 1 79 LEU H 1 79 LEU HG . . 3.960 3.296 2.725 3.902 . 0 0 "[ . 1 . 2]" 1
1421 1 79 LEU H 1 80 ARG H . . 3.170 2.318 1.965 2.633 . 0 0 "[ . 1 . 2]" 1
1422 1 79 LEU HA 1 79 LEU MD1 . . 4.450 3.696 2.301 3.946 . 0 0 "[ . 1 . 2]" 1
1423 1 79 LEU HA 1 79 LEU QD . . 2.960 2.060 1.911 2.262 . 0 0 "[ . 1 . 2]" 1
1424 1 79 LEU HA 1 79 LEU MD2 . . 4.450 2.083 1.967 2.276 . 0 0 "[ . 1 . 2]" 1
1425 1 79 LEU QB 1 79 LEU QD . . 2.870 1.917 1.846 2.057 . 0 0 "[ . 1 . 2]" 1
1426 1 79 LEU QB 1 80 ARG H . . 3.160 2.390 2.242 2.594 . 0 0 "[ . 1 . 2]" 1
1427 1 79 LEU HB2 1 80 ARG H . . 3.880 2.492 2.272 2.684 . 0 0 "[ . 1 . 2]" 1
1428 1 79 LEU HB3 1 80 ARG H . . 3.880 3.123 2.874 3.672 . 0 0 "[ . 1 . 2]" 1
1429 1 79 LEU QD 1 80 ARG H . . 4.660 3.921 3.750 4.100 . 0 0 "[ . 1 . 2]" 1
1430 1 80 ARG HA 1 80 ARG HD2 . . 4.320 2.979 1.990 4.294 . 0 0 "[ . 1 . 2]" 1
1431 1 80 ARG HA 1 80 ARG QD . . 3.530 2.321 1.977 3.506 . 0 0 "[ . 1 . 2]" 1
1432 1 80 ARG HA 1 80 ARG HD3 . . 4.320 2.946 1.997 3.994 . 0 0 "[ . 1 . 2]" 1
1433 1 80 ARG HA 1 80 ARG HG2 . . 4.250 3.241 2.484 3.818 . 0 0 "[ . 1 . 2]" 1
1434 1 80 ARG HA 1 80 ARG QG . . 3.720 2.644 2.372 3.001 . 0 0 "[ . 1 . 2]" 1
1435 1 80 ARG HA 1 80 ARG HG3 . . 4.250 3.179 2.405 3.766 . 0 0 "[ . 1 . 2]" 1
1436 1 80 ARG HA 1 81 VAL H . . 2.950 2.300 2.185 2.414 . 0 0 "[ . 1 . 2]" 1
1437 1 80 ARG HA 1 81 VAL QG . . 4.430 3.586 3.321 3.860 . 0 0 "[ . 1 . 2]" 1
1438 1 80 ARG QB 1 80 ARG QD . . 3.290 2.408 2.077 2.701 . 0 0 "[ . 1 . 2]" 1
1439 1 80 ARG QB 1 81 VAL H . . 3.650 3.051 2.372 3.656 0.006 15 0 "[ . 1 . 2]" 1
1440 1 80 ARG HB2 1 81 VAL H . . 4.180 3.978 3.637 4.157 . 0 0 "[ . 1 . 2]" 1
1441 1 80 ARG HB3 1 81 VAL H . . 4.180 3.228 2.404 4.131 . 0 0 "[ . 1 . 2]" 1
1442 1 80 ARG QD 1 81 VAL H . . 4.560 3.070 2.293 4.440 . 0 0 "[ . 1 . 2]" 1
1443 1 80 ARG QG 1 81 VAL H . . 4.210 3.059 1.907 4.224 0.014 7 0 "[ . 1 . 2]" 1
1444 1 80 ARG HG2 1 81 VAL H . . 4.940 4.115 2.084 4.729 . 0 0 "[ . 1 . 2]" 1
1445 1 80 ARG HG3 1 81 VAL H . . 4.940 3.431 1.914 4.944 0.004 4 0 "[ . 1 . 2]" 1
1446 1 81 VAL H 1 81 VAL HB . . 3.590 2.958 2.654 3.362 . 0 0 "[ . 1 . 2]" 1
1447 1 81 VAL H 1 81 VAL MG1 . . 4.130 3.305 2.173 3.927 . 0 0 "[ . 1 . 2]" 1
1448 1 81 VAL H 1 81 VAL QG . . 3.450 2.724 2.163 3.097 . 0 0 "[ . 1 . 2]" 1
1449 1 81 VAL H 1 81 VAL MG2 . . 4.130 3.406 2.855 4.012 . 0 0 "[ . 1 . 2]" 1
1450 1 81 VAL H 1 82 GLY H . . 4.790 4.065 3.992 4.223 . 0 0 "[ . 1 . 2]" 1
1451 1 81 VAL HA 1 81 VAL MG1 . . 3.410 2.698 2.320 3.192 . 0 0 "[ . 1 . 2]" 1
1452 1 81 VAL HA 1 81 VAL MG2 . . 3.410 2.300 2.098 2.403 . 0 0 "[ . 1 . 2]" 1
1453 1 81 VAL HA 1 82 GLY H . . 3.000 2.146 2.144 2.151 . 0 0 "[ . 1 . 2]" 1
1454 1 81 VAL HB 1 82 GLY H . . 4.670 4.369 4.286 4.438 . 0 0 "[ . 1 . 2]" 1
1455 1 81 VAL QG 1 82 GLY H . . 3.550 2.722 2.435 2.893 . 0 0 "[ . 1 . 2]" 1
1456 1 81 VAL QG 1 82 GLY QA . . 4.420 3.149 3.048 3.292 . 0 0 "[ . 1 . 2]" 1
1457 1 81 VAL MG1 1 82 GLY H . . 4.140 3.213 2.460 4.083 . 0 0 "[ . 1 . 2]" 1
1458 1 81 VAL MG2 1 82 GLY H . . 4.140 3.573 2.551 4.115 . 0 0 "[ . 1 . 2]" 1
1459 1 82 GLY H 1 87 VAL MG1 . . 5.210 4.747 3.856 5.214 0.004 11 0 "[ . 1 . 2]" 1
1460 1 82 GLY H 1 87 VAL QG . . 4.560 2.946 2.314 3.816 . 0 0 "[ . 1 . 2]" 1
1461 1 82 GLY H 1 87 VAL MG2 . . 5.210 3.008 2.324 4.156 . 0 0 "[ . 1 . 2]" 1
1462 1 82 GLY QA 1 86 ASP QB . . 4.600 3.067 2.154 4.262 . 0 0 "[ . 1 . 2]" 1
1463 1 82 GLY QA 1 87 VAL QG . . 3.940 2.652 1.989 3.629 . 0 0 "[ . 1 . 2]" 1
1464 1 83 HIS H 1 83 HIS QB . . 3.650 2.234 2.196 2.258 . 0 0 "[ . 1 . 2]" 1
1465 1 83 HIS HA 1 84 ALA H . . 3.160 2.295 2.166 2.403 . 0 0 "[ . 1 . 2]" 1
1466 1 83 HIS HA 1 84 ALA MB . . 4.350 4.093 3.995 4.176 . 0 0 "[ . 1 . 2]" 1
1467 1 83 HIS QB 1 83 HIS HD2 . . 3.710 2.684 2.626 2.872 . 0 0 "[ . 1 . 2]" 1
1468 1 83 HIS QB 1 84 ALA H . . 4.090 3.433 3.209 3.706 . 0 0 "[ . 1 . 2]" 1
1469 1 83 HIS QB 1 85 ARG QG . . 4.560 3.533 2.029 4.568 0.008 13 0 "[ . 1 . 2]" 1
1470 1 83 HIS QB 1 86 ASP H . . 4.120 2.671 1.927 3.375 . 0 0 "[ . 1 . 2]" 1
1471 1 83 HIS HE1 1 84 ALA MB . . 4.290 3.066 2.509 4.113 . 0 0 "[ . 1 . 2]" 1
1472 1 83 HIS HE1 1 85 ARG QB . . 4.190 3.600 2.086 4.193 0.003 17 0 "[ . 1 . 2]" 1
1473 1 83 HIS HE1 1 85 ARG QG . . 4.220 3.424 2.155 4.225 0.005 13 0 "[ . 1 . 2]" 1
1474 1 84 ALA H 1 84 ALA MB . . 3.240 2.143 2.044 2.280 . 0 0 "[ . 1 . 2]" 1
1475 1 84 ALA HA 1 87 VAL HB . . 4.610 3.569 2.518 4.568 . 0 0 "[ . 1 . 2]" 1
1476 1 84 ALA HA 1 87 VAL QG . . 4.000 3.339 1.828 4.002 0.002 17 0 "[ . 1 . 2]" 1
1477 1 85 ARG HA 1 85 ARG QG . . 3.660 3.009 2.327 3.464 . 0 0 "[ . 1 . 2]" 1
1478 1 85 ARG QG 1 86 ASP H . . 4.180 2.929 1.779 4.120 . 0 0 "[ . 1 . 2]" 1
1479 1 86 ASP H 1 86 ASP QB . . 3.100 2.293 2.189 2.603 . 0 0 "[ . 1 . 2]" 1
1480 1 86 ASP H 1 87 VAL H . . 3.380 2.873 2.080 3.162 . 0 0 "[ . 1 . 2]" 1
1481 1 86 ASP QB 1 87 VAL H . . 3.560 2.180 1.892 3.030 . 0 0 "[ . 1 . 2]" 1
1482 1 86 ASP QB 1 87 VAL HA . . 4.660 3.911 3.662 4.152 . 0 0 "[ . 1 . 2]" 1
1483 1 86 ASP QB 1 87 VAL MG1 . . 5.200 4.794 3.886 5.137 . 0 0 "[ . 1 . 2]" 1
1484 1 86 ASP QB 1 87 VAL QG . . 3.950 3.141 2.713 3.950 0.000 14 0 "[ . 1 . 2]" 1
1485 1 86 ASP QB 1 87 VAL MG2 . . 5.200 3.382 2.727 5.146 . 0 0 "[ . 1 . 2]" 1
1486 1 87 VAL H 1 87 VAL HB . . 3.320 2.568 2.362 2.847 . 0 0 "[ . 1 . 2]" 1
1487 1 87 VAL H 1 87 VAL MG1 . . 4.080 3.501 2.303 3.790 . 0 0 "[ . 1 . 2]" 1
1488 1 87 VAL H 1 87 VAL QG . . 3.130 2.195 1.883 2.713 . 0 0 "[ . 1 . 2]" 1
1489 1 87 VAL H 1 87 VAL MG2 . . 4.080 2.473 1.888 3.769 . 0 0 "[ . 1 . 2]" 1
1490 1 87 VAL H 1 88 TYR H . . 4.800 4.048 2.820 4.645 . 0 0 "[ . 1 . 2]" 1
1491 1 87 VAL HA 1 87 VAL MG1 . . 3.330 2.540 2.114 3.200 . 0 0 "[ . 1 . 2]" 1
1492 1 87 VAL HA 1 87 VAL QG . . 2.860 2.128 2.016 2.340 . 0 0 "[ . 1 . 2]" 1
1493 1 87 VAL HA 1 87 VAL MG2 . . 3.330 2.348 2.153 2.546 . 0 0 "[ . 1 . 2]" 1
1494 1 87 VAL HB 1 88 TYR H . . 4.500 3.595 2.048 4.316 . 0 0 "[ . 1 . 2]" 1
1495 1 87 VAL QG 1 88 TYR H . . 4.220 2.279 1.869 3.131 . 0 0 "[ . 1 . 2]" 1
1496 1 87 VAL QG 1 88 TYR HA . . 4.250 3.798 3.324 4.135 . 0 0 "[ . 1 . 2]" 1
1497 1 87 VAL QG 1 88 TYR QD . . 4.100 3.260 2.062 3.986 . 0 0 "[ . 1 . 2]" 1
1498 1 87 VAL QG 1 89 ARG H . . 5.170 4.381 1.735 5.156 . 0 0 "[ . 1 . 2]" 1
1499 1 88 TYR H 1 88 TYR HB2 . . 4.200 2.929 2.453 4.051 . 0 0 "[ . 1 . 2]" 1
1500 1 88 TYR H 1 88 TYR QB . . 3.600 2.511 2.139 3.096 . 0 0 "[ . 1 . 2]" 1
1501 1 88 TYR H 1 88 TYR HB3 . . 4.200 2.987 2.199 3.668 . 0 0 "[ . 1 . 2]" 1
1502 1 88 TYR H 1 88 TYR QD . . 4.390 3.484 2.034 4.401 0.011 4 0 "[ . 1 . 2]" 1
1503 1 88 TYR H 1 89 ARG H . . 4.730 4.028 2.592 4.648 . 0 0 "[ . 1 . 2]" 1
1504 1 88 TYR HA 1 88 TYR QD . . 3.470 2.933 2.113 3.579 0.109 13 0 "[ . 1 . 2]" 1
1505 1 88 TYR HA 1 89 ARG H . . 3.210 2.413 2.139 3.184 . 0 0 "[ . 1 . 2]" 1
1506 1 88 TYR QB 1 89 ARG H . . 3.930 3.430 2.540 3.966 0.036 14 0 "[ . 1 . 2]" 1
1507 1 88 TYR HB2 1 89 ARG H . . 4.590 3.917 2.676 4.623 0.033 14 0 "[ . 1 . 2]" 1
1508 1 88 TYR HB3 1 89 ARG H . . 4.590 3.988 2.580 4.538 . 0 0 "[ . 1 . 2]" 1
1509 1 88 TYR QD 1 89 ARG H . . 4.670 3.597 2.272 4.638 . 0 0 "[ . 1 . 2]" 1
1510 1 89 ARG H 1 89 ARG QB . . 3.500 2.437 2.159 3.289 . 0 0 "[ . 1 . 2]" 1
1511 1 89 ARG H 1 89 ARG QG . . 4.020 3.033 1.928 4.021 0.001 17 0 "[ . 1 . 2]" 1
1512 1 89 ARG HA 1 89 ARG QD . . 4.210 3.862 2.148 4.211 0.001 7 0 "[ . 1 . 2]" 1
1513 1 89 ARG HA 1 89 ARG QG . . 3.620 2.699 2.176 3.443 . 0 0 "[ . 1 . 2]" 1
1514 1 89 ARG QB 1 89 ARG QD . . 3.360 2.204 2.030 2.484 . 0 0 "[ . 1 . 2]" 1
1515 1 89 ARG HB2 1 89 ARG QD . . 3.830 2.570 2.065 3.462 . 0 0 "[ . 1 . 2]" 1
1516 1 89 ARG HB3 1 89 ARG QD . . 3.830 2.596 2.085 3.420 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 2:44:06 PM GMT (wattos1)