NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
414499 |
2cte   |
11139 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2cte
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 1719
_Distance_constraint_stats_list.Viol_count 603
_Distance_constraint_stats_list.Viol_total 103.871
_Distance_constraint_stats_list.Viol_max 0.088
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0086
_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 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.106 0.088 18 0 "[ . 1 . 2]"
1 10 VAL 0.026 0.018 3 0 "[ . 1 . 2]"
1 11 ALA 0.008 0.004 7 0 "[ . 1 . 2]"
1 12 ARG 0.002 0.001 19 0 "[ . 1 . 2]"
1 13 LEU 0.002 0.002 17 0 "[ . 1 . 2]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 THR 0.014 0.007 3 0 "[ . 1 . 2]"
1 16 GLN 0.018 0.007 3 0 "[ . 1 . 2]"
1 17 ALA 0.020 0.009 9 0 "[ . 1 . 2]"
1 18 SER 0.107 0.017 9 0 "[ . 1 . 2]"
1 19 ALA 0.148 0.017 9 0 "[ . 1 . 2]"
1 20 THR 0.721 0.045 9 0 "[ . 1 . 2]"
1 21 VAL 0.109 0.027 6 0 "[ . 1 . 2]"
1 22 ALA 0.059 0.019 15 0 "[ . 1 . 2]"
1 23 ILE 0.271 0.025 17 0 "[ . 1 . 2]"
1 24 PRO 0.036 0.010 15 0 "[ . 1 . 2]"
1 25 LYS 0.151 0.014 5 0 "[ . 1 . 2]"
1 26 GLU 0.279 0.047 7 0 "[ . 1 . 2]"
1 27 HIS 0.173 0.025 17 0 "[ . 1 . 2]"
1 28 HIS 0.038 0.007 19 0 "[ . 1 . 2]"
1 29 ARG 0.001 0.001 7 0 "[ . 1 . 2]"
1 30 PHE 0.004 0.003 2 0 "[ . 1 . 2]"
1 31 VAL 0.003 0.002 15 0 "[ . 1 . 2]"
1 32 ILE 0.014 0.006 18 0 "[ . 1 . 2]"
1 33 GLY 0.003 0.002 2 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.002 0.001 19 0 "[ . 1 . 2]"
1 37 GLU 0.026 0.008 16 0 "[ . 1 . 2]"
1 38 LYS 0.141 0.039 13 0 "[ . 1 . 2]"
1 39 LEU 0.108 0.036 13 0 "[ . 1 . 2]"
1 40 GLN 0.142 0.039 13 0 "[ . 1 . 2]"
1 41 ASP 0.006 0.005 18 0 "[ . 1 . 2]"
1 42 LEU 0.015 0.006 13 0 "[ . 1 . 2]"
1 43 GLU 0.007 0.006 13 0 "[ . 1 . 2]"
1 44 LEU 0.182 0.027 20 0 "[ . 1 . 2]"
1 45 LYS 0.001 0.001 2 0 "[ . 1 . 2]"
1 46 THR 0.013 0.009 18 0 "[ . 1 . 2]"
1 47 ALA 0.001 0.001 5 0 "[ . 1 . 2]"
1 48 THR 0.063 0.009 18 0 "[ . 1 . 2]"
1 49 LYS 0.061 0.021 15 0 "[ . 1 . 2]"
1 50 ILE 0.074 0.021 15 0 "[ . 1 . 2]"
1 51 GLN 0.019 0.005 15 0 "[ . 1 . 2]"
1 52 ILE 0.063 0.011 9 0 "[ . 1 . 2]"
1 53 PRO 0.030 0.012 15 0 "[ . 1 . 2]"
1 54 ARG 0.151 0.014 5 0 "[ . 1 . 2]"
1 55 PRO 0.110 0.014 5 0 "[ . 1 . 2]"
1 56 ASP 0.018 0.011 17 0 "[ . 1 . 2]"
1 57 ASP 0.002 0.002 16 0 "[ . 1 . 2]"
1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 SER 0.105 0.017 16 0 "[ . 1 . 2]"
1 60 ASN 0.132 0.012 15 0 "[ . 1 . 2]"
1 61 GLN 0.243 0.024 9 0 "[ . 1 . 2]"
1 62 ILE 0.232 0.013 15 0 "[ . 1 . 2]"
1 63 LYS 1.808 0.087 6 0 "[ . 1 . 2]"
1 64 ILE 2.060 0.087 6 0 "[ . 1 . 2]"
1 65 THR 0.013 0.005 4 0 "[ . 1 . 2]"
1 66 GLY 0.057 0.009 9 0 "[ . 1 . 2]"
1 67 THR 0.009 0.003 16 0 "[ . 1 . 2]"
1 68 LYS 0.367 0.087 4 0 "[ . 1 . 2]"
1 69 GLU 0.015 0.005 16 0 "[ . 1 . 2]"
1 70 GLY 0.015 0.004 4 0 "[ . 1 . 2]"
1 71 ILE 0.048 0.009 2 0 "[ . 1 . 2]"
1 72 GLU 0.020 0.004 8 0 "[ . 1 . 2]"
1 73 LYS 0.026 0.007 9 0 "[ . 1 . 2]"
1 74 ALA 0.040 0.026 8 0 "[ . 1 . 2]"
1 75 ARG 0.208 0.055 8 0 "[ . 1 . 2]"
1 76 HIS 0.103 0.016 8 0 "[ . 1 . 2]"
1 77 GLU 0.007 0.003 8 0 "[ . 1 . 2]"
1 78 VAL 0.009 0.002 3 0 "[ . 1 . 2]"
1 79 LEU 0.003 0.003 3 0 "[ . 1 . 2]"
1 80 LEU 0.004 0.002 8 0 "[ . 1 . 2]"
1 81 ILE 0.003 0.002 8 0 "[ . 1 . 2]"
1 82 SER 0.005 0.003 15 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 0.024 0.023 12 0 "[ . 1 . 2]"
1 85 GLN 0.026 0.012 12 0 "[ . 1 . 2]"
1 86 ASP 0.012 0.012 12 0 "[ . 1 . 2]"
1 87 LYS 0.051 0.023 12 0 "[ . 1 . 2]"
1 88 ARG 0.029 0.022 8 0 "[ . 1 . 2]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ASP HA 1 9 ILE H . . 3.280 2.294 2.139 2.799 . 0 0 "[ . 1 . 2]" 1
2 1 8 ASP HB2 1 9 ILE H . . 4.720 4.171 3.111 4.646 . 0 0 "[ . 1 . 2]" 1
3 1 8 ASP HB3 1 9 ILE H . . 4.720 3.768 2.372 4.632 . 0 0 "[ . 1 . 2]" 1
4 1 9 ILE H 1 9 ILE HB . . 3.690 2.920 2.402 3.708 0.018 3 0 "[ . 1 . 2]" 1
5 1 9 ILE H 1 9 ILE HG12 . . 4.080 3.371 2.370 4.079 . 0 0 "[ . 1 . 2]" 1
6 1 9 ILE H 1 9 ILE HG13 . . 4.080 3.021 1.967 3.973 . 0 0 "[ . 1 . 2]" 1
7 1 9 ILE H 1 9 ILE MG . . 4.170 3.293 1.875 3.972 . 0 0 "[ . 1 . 2]" 1
8 1 9 ILE HA 1 9 ILE MD . . 3.970 3.370 1.971 4.058 0.088 18 0 "[ . 1 . 2]" 1
9 1 9 ILE HA 1 10 VAL H . . 3.160 2.247 2.140 2.801 . 0 0 "[ . 1 . 2]" 1
10 1 9 ILE HB 1 10 VAL H . . 4.220 3.678 2.361 4.220 . 0 0 "[ . 1 . 2]" 1
11 1 9 ILE MG 1 10 VAL H . . 4.110 2.892 1.973 4.071 . 0 0 "[ . 1 . 2]" 1
12 1 10 VAL H 1 10 VAL HB . . 3.670 3.079 2.380 3.688 0.018 3 0 "[ . 1 . 2]" 1
13 1 10 VAL H 1 10 VAL MG1 . . 4.100 2.866 2.002 3.904 . 0 0 "[ . 1 . 2]" 1
14 1 10 VAL H 1 10 VAL QG . . 3.590 2.282 1.827 2.915 . 0 0 "[ . 1 . 2]" 1
15 1 10 VAL H 1 10 VAL MG2 . . 4.100 2.890 1.878 3.987 . 0 0 "[ . 1 . 2]" 1
16 1 10 VAL HA 1 11 ALA H . . 3.370 2.373 2.141 3.374 0.004 16 0 "[ . 1 . 2]" 1
17 1 10 VAL HB 1 11 ALA H . . 4.410 3.930 2.350 4.414 0.004 7 0 "[ . 1 . 2]" 1
18 1 10 VAL QG 1 11 ALA H . . 4.340 2.797 1.987 3.618 . 0 0 "[ . 1 . 2]" 1
19 1 10 VAL MG1 1 11 ALA H . . 5.120 3.616 2.614 4.369 . 0 0 "[ . 1 . 2]" 1
20 1 10 VAL MG2 1 11 ALA H . . 5.120 3.279 1.995 4.174 . 0 0 "[ . 1 . 2]" 1
21 1 11 ALA H 1 11 ALA MB . . 3.520 2.580 2.055 2.885 . 0 0 "[ . 1 . 2]" 1
22 1 11 ALA MB 1 12 ARG H . . 4.550 2.959 2.167 3.704 . 0 0 "[ . 1 . 2]" 1
23 1 12 ARG H 1 12 ARG HG2 . . 4.650 3.789 2.136 4.651 0.001 19 0 "[ . 1 . 2]" 1
24 1 12 ARG H 1 12 ARG HG3 . . 4.650 3.894 2.859 4.573 . 0 0 "[ . 1 . 2]" 1
25 1 12 ARG HA 1 12 ARG QD . . 5.070 3.444 1.979 4.437 . 0 0 "[ . 1 . 2]" 1
26 1 12 ARG HA 1 12 ARG HG2 . . 3.940 2.992 2.222 3.823 . 0 0 "[ . 1 . 2]" 1
27 1 12 ARG HA 1 12 ARG HG3 . . 3.940 3.106 2.282 3.841 . 0 0 "[ . 1 . 2]" 1
28 1 12 ARG HA 1 13 LEU H . . 3.370 2.259 2.141 2.526 . 0 0 "[ . 1 . 2]" 1
29 1 12 ARG HB2 1 12 ARG QD . . 3.910 2.707 2.201 3.507 . 0 0 "[ . 1 . 2]" 1
30 1 12 ARG HB2 1 13 LEU H . . 4.550 3.960 2.194 4.523 . 0 0 "[ . 1 . 2]" 1
31 1 12 ARG HB3 1 12 ARG QD . . 3.910 2.619 2.164 3.289 . 0 0 "[ . 1 . 2]" 1
32 1 12 ARG HB3 1 13 LEU H . . 4.550 3.471 2.314 4.431 . 0 0 "[ . 1 . 2]" 1
33 1 12 ARG QG 1 13 LEU H . . 4.680 3.539 1.883 4.631 . 0 0 "[ . 1 . 2]" 1
34 1 13 LEU H 1 13 LEU QB . . 3.380 2.605 2.221 3.009 . 0 0 "[ . 1 . 2]" 1
35 1 13 LEU H 1 13 LEU QD . . 4.740 2.667 1.820 3.724 . 0 0 "[ . 1 . 2]" 1
36 1 13 LEU H 1 13 LEU HG . . 3.570 2.948 1.974 3.572 0.002 17 0 "[ . 1 . 2]" 1
37 1 13 LEU HA 1 13 LEU MD1 . . 4.260 3.855 3.255 4.099 . 0 0 "[ . 1 . 2]" 1
38 1 13 LEU HA 1 13 LEU QD . . 3.410 2.791 1.970 3.409 . 0 0 "[ . 1 . 2]" 1
39 1 13 LEU HA 1 13 LEU MD2 . . 4.260 2.990 1.976 4.010 . 0 0 "[ . 1 . 2]" 1
40 1 13 LEU HA 1 13 LEU HG . . 4.060 3.162 2.492 3.713 . 0 0 "[ . 1 . 2]" 1
41 1 14 GLN H 1 14 GLN QG . . 4.950 3.243 1.904 4.089 . 0 0 "[ . 1 . 2]" 1
42 1 15 THR HA 1 15 THR MG . . 3.380 2.305 2.148 3.197 . 0 0 "[ . 1 . 2]" 1
43 1 15 THR HA 1 16 GLN H . . 3.250 2.468 2.246 2.623 . 0 0 "[ . 1 . 2]" 1
44 1 15 THR HA 1 16 GLN QB . . 5.160 4.449 4.150 4.760 . 0 0 "[ . 1 . 2]" 1
45 1 15 THR HB 1 16 GLN H . . 3.810 2.592 1.925 3.807 . 0 0 "[ . 1 . 2]" 1
46 1 15 THR HB 1 16 GLN QB . . 5.340 4.536 3.440 5.340 . 0 0 "[ . 1 . 2]" 1
47 1 15 THR MG 1 16 GLN H . . 4.540 3.112 1.885 3.569 . 0 0 "[ . 1 . 2]" 1
48 1 15 THR MG 1 16 GLN HA . . 5.440 5.090 4.088 5.447 0.007 3 0 "[ . 1 . 2]" 1
49 1 16 GLN H 1 16 GLN QB . . 3.500 2.449 2.211 2.949 . 0 0 "[ . 1 . 2]" 1
50 1 16 GLN H 1 16 GLN HG2 . . 4.590 3.089 1.934 4.090 . 0 0 "[ . 1 . 2]" 1
51 1 16 GLN H 1 16 GLN HG3 . . 4.590 3.520 2.638 4.476 . 0 0 "[ . 1 . 2]" 1
52 1 16 GLN H 1 17 ALA H . . 4.800 4.527 4.331 4.646 . 0 0 "[ . 1 . 2]" 1
53 1 16 GLN HA 1 16 GLN QG . . 3.710 2.579 2.195 3.333 . 0 0 "[ . 1 . 2]" 1
54 1 16 GLN HA 1 17 ALA H . . 2.850 2.258 2.155 2.403 . 0 0 "[ . 1 . 2]" 1
55 1 16 GLN HA 1 17 ALA MB . . 4.290 3.886 3.795 3.937 . 0 0 "[ . 1 . 2]" 1
56 1 16 GLN HA 1 65 THR MG . . 5.500 4.835 4.493 5.194 . 0 0 "[ . 1 . 2]" 1
57 1 16 GLN HA 1 66 GLY H . . 5.400 5.141 4.638 5.403 0.003 9 0 "[ . 1 . 2]" 1
58 1 16 GLN QB 1 17 ALA H . . 3.560 2.812 2.394 3.156 . 0 0 "[ . 1 . 2]" 1
59 1 16 GLN QB 1 65 THR MG . . 3.730 2.892 2.530 3.173 . 0 0 "[ . 1 . 2]" 1
60 1 16 GLN QB 1 66 GLY H . . 4.140 3.737 2.948 4.120 . 0 0 "[ . 1 . 2]" 1
61 1 16 GLN HB2 1 17 ALA H . . 4.250 3.974 2.425 4.244 . 0 0 "[ . 1 . 2]" 1
62 1 16 GLN HB2 1 65 THR MG . . 4.240 3.875 3.177 4.240 . 0 0 "[ . 1 . 2]" 1
63 1 16 GLN HB3 1 17 ALA H . . 4.250 2.936 2.452 3.699 . 0 0 "[ . 1 . 2]" 1
64 1 16 GLN HB3 1 65 THR MG . . 4.240 3.034 2.605 4.220 . 0 0 "[ . 1 . 2]" 1
65 1 16 GLN QE 1 65 THR MG . . 4.420 3.795 3.184 4.411 . 0 0 "[ . 1 . 2]" 1
66 1 16 GLN HE21 1 65 THR MG . . 5.040 4.264 3.254 5.039 . 0 0 "[ . 1 . 2]" 1
67 1 16 GLN HE21 1 67 THR MG . . 4.830 3.811 2.711 4.715 . 0 0 "[ . 1 . 2]" 1
68 1 16 GLN HE22 1 65 THR MG . . 5.040 4.434 3.585 4.943 . 0 0 "[ . 1 . 2]" 1
69 1 16 GLN HE22 1 67 THR MG . . 4.830 3.353 2.315 4.830 . 0 0 "[ . 1 . 2]" 1
70 1 16 GLN QG 1 17 ALA H . . 4.640 4.086 3.352 4.600 . 0 0 "[ . 1 . 2]" 1
71 1 17 ALA H 1 17 ALA MB . . 3.190 2.339 2.155 2.491 . 0 0 "[ . 1 . 2]" 1
72 1 17 ALA H 1 18 SER H . . 4.590 4.520 4.478 4.578 . 0 0 "[ . 1 . 2]" 1
73 1 17 ALA H 1 18 SER HA . . 5.500 5.089 4.955 5.281 . 0 0 "[ . 1 . 2]" 1
74 1 17 ALA H 1 65 THR HA . . 5.480 5.198 5.007 5.270 . 0 0 "[ . 1 . 2]" 1
75 1 17 ALA H 1 65 THR MG . . 4.580 3.975 3.723 4.243 . 0 0 "[ . 1 . 2]" 1
76 1 17 ALA H 1 66 GLY H . . 3.730 3.692 3.544 3.739 0.009 9 0 "[ . 1 . 2]" 1
77 1 17 ALA H 1 71 ILE MD . . 4.250 3.364 3.040 3.651 . 0 0 "[ . 1 . 2]" 1
78 1 17 ALA HA 1 18 SER H . . 2.690 2.389 2.253 2.471 . 0 0 "[ . 1 . 2]" 1
79 1 17 ALA HA 1 71 ILE MD . . 4.970 4.330 4.093 4.553 . 0 0 "[ . 1 . 2]" 1
80 1 17 ALA MB 1 18 SER H . . 2.970 2.513 2.265 2.775 . 0 0 "[ . 1 . 2]" 1
81 1 17 ALA MB 1 18 SER HA . . 4.310 3.852 3.775 3.954 . 0 0 "[ . 1 . 2]" 1
82 1 17 ALA MB 1 71 ILE MD . . 2.980 2.645 2.462 2.928 . 0 0 "[ . 1 . 2]" 1
83 1 18 SER H 1 18 SER HB2 . . 4.140 3.700 3.086 3.863 . 0 0 "[ . 1 . 2]" 1
84 1 18 SER H 1 18 SER QB . . 3.610 3.204 2.726 3.297 . 0 0 "[ . 1 . 2]" 1
85 1 18 SER H 1 18 SER HB3 . . 4.140 3.560 2.858 3.987 . 0 0 "[ . 1 . 2]" 1
86 1 18 SER H 1 19 ALA H . . 4.360 4.180 4.074 4.377 0.017 9 0 "[ . 1 . 2]" 1
87 1 18 SER H 1 19 ALA HA . . 4.850 4.689 4.619 4.764 . 0 0 "[ . 1 . 2]" 1
88 1 18 SER H 1 65 THR MG . . 5.010 4.337 4.034 4.549 . 0 0 "[ . 1 . 2]" 1
89 1 18 SER H 1 71 ILE MD . . 3.980 3.822 3.646 3.980 . 0 0 "[ . 1 . 2]" 1
90 1 18 SER H 1 71 ILE MG . . 5.500 5.327 5.104 5.496 . 0 0 "[ . 1 . 2]" 1
91 1 18 SER HA 1 19 ALA H . . 2.770 2.159 2.139 2.331 . 0 0 "[ . 1 . 2]" 1
92 1 18 SER HA 1 19 ALA MB . . 4.280 3.944 3.837 4.004 . 0 0 "[ . 1 . 2]" 1
93 1 18 SER HA 1 64 ILE H . . 4.960 4.627 4.522 4.790 . 0 0 "[ . 1 . 2]" 1
94 1 18 SER HA 1 64 ILE HG13 . . 5.470 4.564 4.409 4.693 . 0 0 "[ . 1 . 2]" 1
95 1 18 SER HA 1 65 THR H . . 5.140 4.728 4.593 4.839 . 0 0 "[ . 1 . 2]" 1
96 1 18 SER HA 1 65 THR HA . . 3.520 2.257 2.141 2.382 . 0 0 "[ . 1 . 2]" 1
97 1 18 SER HA 1 65 THR MG . . 4.290 3.117 2.889 3.380 . 0 0 "[ . 1 . 2]" 1
98 1 18 SER HA 1 66 GLY H . . 3.820 3.687 3.492 3.817 . 0 0 "[ . 1 . 2]" 1
99 1 18 SER HA 1 71 ILE MD . . 3.800 2.370 1.970 2.765 . 0 0 "[ . 1 . 2]" 1
100 1 18 SER HA 1 71 ILE HG12 . . 5.500 4.123 3.834 4.489 . 0 0 "[ . 1 . 2]" 1
101 1 18 SER QB 1 19 ALA H . . 3.380 3.221 3.003 3.395 0.015 9 0 "[ . 1 . 2]" 1
102 1 18 SER QB 1 63 LYS QD . . 4.460 3.829 2.382 4.353 . 0 0 "[ . 1 . 2]" 1
103 1 18 SER QB 1 64 ILE H . . 4.720 4.307 4.146 4.725 0.005 9 0 "[ . 1 . 2]" 1
104 1 18 SER HB2 1 19 ALA H . . 4.200 3.461 3.216 3.924 . 0 0 "[ . 1 . 2]" 1
105 1 18 SER HB2 1 63 LYS QD . . 5.090 4.121 2.524 4.911 . 0 0 "[ . 1 . 2]" 1
106 1 18 SER HB2 1 63 LYS QE . . 4.670 3.130 2.121 4.518 . 0 0 "[ . 1 . 2]" 1
107 1 18 SER HB2 1 63 LYS QG . . 4.260 3.376 3.102 4.277 0.017 9 0 "[ . 1 . 2]" 1
108 1 18 SER HB2 1 64 ILE H . . 5.500 4.630 4.291 5.502 0.002 1 0 "[ . 1 . 2]" 1
109 1 18 SER HB2 1 65 THR HA . . 4.720 3.969 2.584 4.563 . 0 0 "[ . 1 . 2]" 1
110 1 18 SER HB2 1 65 THR MG . . 4.250 3.606 2.083 3.940 . 0 0 "[ . 1 . 2]" 1
111 1 18 SER HB3 1 19 ALA H . . 4.200 3.959 3.141 4.103 . 0 0 "[ . 1 . 2]" 1
112 1 18 SER HB3 1 63 LYS QD . . 5.090 4.673 2.923 5.092 0.002 3 0 "[ . 1 . 2]" 1
113 1 18 SER HB3 1 63 LYS QE . . 4.670 3.728 3.039 4.674 0.004 5 0 "[ . 1 . 2]" 1
114 1 18 SER HB3 1 63 LYS QG . . 4.260 4.114 3.193 4.267 0.007 20 0 "[ . 1 . 2]" 1
115 1 18 SER HB3 1 64 ILE H . . 5.500 5.353 4.333 5.508 0.008 17 0 "[ . 1 . 2]" 1
116 1 18 SER HB3 1 65 THR HA . . 4.720 3.139 2.810 4.130 . 0 0 "[ . 1 . 2]" 1
117 1 18 SER HB3 1 65 THR MG . . 4.250 2.308 2.001 3.493 . 0 0 "[ . 1 . 2]" 1
118 1 19 ALA H 1 19 ALA MB . . 3.270 2.421 2.273 2.592 . 0 0 "[ . 1 . 2]" 1
119 1 19 ALA H 1 20 THR H . . 4.680 4.459 4.420 4.505 . 0 0 "[ . 1 . 2]" 1
120 1 19 ALA H 1 63 LYS HA . . 5.090 5.026 4.702 5.105 0.015 17 0 "[ . 1 . 2]" 1
121 1 19 ALA H 1 64 ILE HB . . 4.070 4.019 3.917 4.073 0.003 20 0 "[ . 1 . 2]" 1
122 1 19 ALA H 1 64 ILE MD . . 4.130 3.931 3.801 4.067 . 0 0 "[ . 1 . 2]" 1
123 1 19 ALA H 1 64 ILE MG . . 5.080 5.052 4.916 5.090 0.010 18 0 "[ . 1 . 2]" 1
124 1 19 ALA H 1 65 THR HA . . 3.880 3.547 3.427 3.700 . 0 0 "[ . 1 . 2]" 1
125 1 19 ALA H 1 66 GLY H . . 5.480 5.267 5.072 5.424 . 0 0 "[ . 1 . 2]" 1
126 1 19 ALA H 1 71 ILE MD . . 3.690 2.957 2.661 3.330 . 0 0 "[ . 1 . 2]" 1
127 1 19 ALA H 1 71 ILE MG . . 4.140 2.763 2.466 3.110 . 0 0 "[ . 1 . 2]" 1
128 1 19 ALA HA 1 20 THR H . . 2.870 2.512 2.466 2.602 . 0 0 "[ . 1 . 2]" 1
129 1 19 ALA MB 1 20 THR H . . 3.100 2.199 1.996 2.400 . 0 0 "[ . 1 . 2]" 1
130 1 19 ALA MB 1 21 VAL H . . 5.500 5.274 5.180 5.370 . 0 0 "[ . 1 . 2]" 1
131 1 19 ALA MB 1 64 ILE HB . . 4.160 4.150 4.101 4.169 0.009 9 0 "[ . 1 . 2]" 1
132 1 19 ALA MB 1 71 ILE MG . . 3.080 2.259 2.033 2.454 . 0 0 "[ . 1 . 2]" 1
133 1 19 ALA MB 1 75 ARG QD . . 4.670 2.814 2.391 4.001 . 0 0 "[ . 1 . 2]" 1
134 1 20 THR H 1 20 THR HB . . 3.760 3.734 3.695 3.772 0.012 2 0 "[ . 1 . 2]" 1
135 1 20 THR H 1 20 THR MG . . 3.780 3.445 3.367 3.513 . 0 0 "[ . 1 . 2]" 1
136 1 20 THR H 1 21 VAL H . . 4.470 4.418 4.394 4.430 . 0 0 "[ . 1 . 2]" 1
137 1 20 THR H 1 21 VAL MG1 . . 5.360 5.348 5.236 5.387 0.027 6 0 "[ . 1 . 2]" 1
138 1 20 THR H 1 71 ILE MG . . 5.370 5.138 4.913 5.334 . 0 0 "[ . 1 . 2]" 1
139 1 20 THR HA 1 20 THR MG . . 3.560 2.147 2.089 2.194 . 0 0 "[ . 1 . 2]" 1
140 1 20 THR HA 1 21 VAL H . . 2.700 2.321 2.260 2.370 . 0 0 "[ . 1 . 2]" 1
141 1 20 THR HA 1 21 VAL HA . . 5.010 4.438 4.415 4.457 . 0 0 "[ . 1 . 2]" 1
142 1 20 THR HA 1 21 VAL HB . . 4.950 4.489 4.453 4.540 . 0 0 "[ . 1 . 2]" 1
143 1 20 THR HA 1 21 VAL MG1 . . 4.380 3.482 3.365 3.563 . 0 0 "[ . 1 . 2]" 1
144 1 20 THR HA 1 62 ILE H . . 4.990 4.990 4.962 5.003 0.013 15 0 "[ . 1 . 2]" 1
145 1 20 THR HA 1 63 LYS H . . 5.180 4.810 4.772 4.833 . 0 0 "[ . 1 . 2]" 1
146 1 20 THR HA 1 63 LYS HA . . 3.620 2.501 2.486 2.547 . 0 0 "[ . 1 . 2]" 1
147 1 20 THR HA 1 63 LYS HB2 . . 4.810 4.643 4.509 4.759 . 0 0 "[ . 1 . 2]" 1
148 1 20 THR HA 1 63 LYS HB3 . . 5.500 5.504 5.466 5.520 0.020 9 0 "[ . 1 . 2]" 1
149 1 20 THR HA 1 63 LYS QG . . 4.660 4.223 3.930 4.603 . 0 0 "[ . 1 . 2]" 1
150 1 20 THR HA 1 64 ILE H . . 3.820 3.166 3.068 3.364 . 0 0 "[ . 1 . 2]" 1
151 1 20 THR HA 1 64 ILE HG12 . . 4.800 3.046 2.953 3.171 . 0 0 "[ . 1 . 2]" 1
152 1 20 THR HB 1 21 VAL H . . 3.460 2.655 2.503 2.835 . 0 0 "[ . 1 . 2]" 1
153 1 20 THR HB 1 61 GLN HB2 . . 4.410 2.881 2.508 3.941 . 0 0 "[ . 1 . 2]" 1
154 1 20 THR HB 1 61 GLN QB . . 3.760 2.613 2.488 2.754 . 0 0 "[ . 1 . 2]" 1
155 1 20 THR HB 1 61 GLN HB3 . . 4.410 3.869 2.702 4.344 . 0 0 "[ . 1 . 2]" 1
156 1 20 THR HB 1 62 ILE H . . 4.720 4.599 4.446 4.707 . 0 0 "[ . 1 . 2]" 1
157 1 20 THR HB 1 64 ILE H . . 5.500 5.514 5.500 5.545 0.045 9 0 "[ . 1 . 2]" 1
158 1 20 THR MG 1 21 VAL H . . 3.670 3.349 3.204 3.499 . 0 0 "[ . 1 . 2]" 1
159 1 20 THR MG 1 61 GLN H . . 5.500 5.507 5.497 5.524 0.024 9 0 "[ . 1 . 2]" 1
160 1 20 THR MG 1 61 GLN QB . . 3.430 3.223 3.038 3.379 . 0 0 "[ . 1 . 2]" 1
161 1 20 THR MG 1 61 GLN HE21 . . 4.890 3.922 3.135 4.888 . 0 0 "[ . 1 . 2]" 1
162 1 20 THR MG 1 61 GLN HE22 . . 4.890 4.491 4.092 4.892 0.002 9 0 "[ . 1 . 2]" 1
163 1 20 THR MG 1 61 GLN QG . . 5.330 3.527 2.651 5.060 . 0 0 "[ . 1 . 2]" 1
164 1 20 THR MG 1 62 ILE H . . 4.810 4.530 4.349 4.682 . 0 0 "[ . 1 . 2]" 1
165 1 20 THR MG 1 63 LYS H . . 4.670 3.927 3.771 4.050 . 0 0 "[ . 1 . 2]" 1
166 1 20 THR MG 1 63 LYS HA . . 3.810 1.970 1.909 2.086 . 0 0 "[ . 1 . 2]" 1
167 1 20 THR MG 1 63 LYS HB2 . . 3.660 2.677 2.505 2.908 . 0 0 "[ . 1 . 2]" 1
168 1 20 THR MG 1 63 LYS HB3 . . 4.340 3.887 3.747 4.025 . 0 0 "[ . 1 . 2]" 1
169 1 20 THR MG 1 63 LYS QE . . 4.700 3.773 2.428 4.619 . 0 0 "[ . 1 . 2]" 1
170 1 20 THR MG 1 63 LYS QG . . 3.980 2.590 2.160 3.207 . 0 0 "[ . 1 . 2]" 1
171 1 20 THR MG 1 64 ILE H . . 4.310 3.136 3.055 3.211 . 0 0 "[ . 1 . 2]" 1
172 1 21 VAL H 1 21 VAL HB . . 3.630 3.261 3.194 3.342 . 0 0 "[ . 1 . 2]" 1
173 1 21 VAL H 1 21 VAL MG1 . . 3.320 1.921 1.875 2.003 . 0 0 "[ . 1 . 2]" 1
174 1 21 VAL H 1 21 VAL MG2 . . 4.160 3.862 3.835 3.885 . 0 0 "[ . 1 . 2]" 1
175 1 21 VAL H 1 22 ALA H . . 4.530 4.054 3.826 4.202 . 0 0 "[ . 1 . 2]" 1
176 1 21 VAL H 1 22 ALA MB . . 5.420 5.180 5.064 5.249 . 0 0 "[ . 1 . 2]" 1
177 1 21 VAL H 1 61 GLN QB . . 3.900 3.502 3.244 3.820 . 0 0 "[ . 1 . 2]" 1
178 1 21 VAL H 1 61 GLN QG . . 5.340 5.056 4.628 5.343 0.003 17 0 "[ . 1 . 2]" 1
179 1 21 VAL H 1 62 ILE H . . 3.550 3.128 3.044 3.258 . 0 0 "[ . 1 . 2]" 1
180 1 21 VAL H 1 62 ILE HB . . 4.420 3.375 3.233 3.489 . 0 0 "[ . 1 . 2]" 1
181 1 21 VAL H 1 62 ILE MD . . 5.410 5.125 5.005 5.240 . 0 0 "[ . 1 . 2]" 1
182 1 21 VAL H 1 62 ILE HG13 . . 5.500 5.331 5.268 5.400 . 0 0 "[ . 1 . 2]" 1
183 1 21 VAL H 1 62 ILE MG . . 4.690 3.806 3.634 3.926 . 0 0 "[ . 1 . 2]" 1
184 1 21 VAL H 1 63 LYS HA . . 4.140 3.999 3.954 4.087 . 0 0 "[ . 1 . 2]" 1
185 1 21 VAL H 1 64 ILE MD . . 4.890 4.427 4.259 4.635 . 0 0 "[ . 1 . 2]" 1
186 1 21 VAL H 1 64 ILE HG12 . . 4.840 4.203 4.056 4.456 . 0 0 "[ . 1 . 2]" 1
187 1 21 VAL HA 1 21 VAL MG2 . . 3.660 2.420 2.325 2.468 . 0 0 "[ . 1 . 2]" 1
188 1 21 VAL HA 1 22 ALA H . . 2.660 2.160 2.141 2.226 . 0 0 "[ . 1 . 2]" 1
189 1 21 VAL HA 1 22 ALA MB . . 4.330 3.979 3.938 4.031 . 0 0 "[ . 1 . 2]" 1
190 1 21 VAL HA 1 79 LEU HG . . 5.270 5.083 4.874 5.265 . 0 0 "[ . 1 . 2]" 1
191 1 21 VAL HB 1 22 ALA H . . 4.780 4.362 4.232 4.494 . 0 0 "[ . 1 . 2]" 1
192 1 21 VAL HB 1 64 ILE MD . . 4.180 3.385 3.045 3.777 . 0 0 "[ . 1 . 2]" 1
193 1 21 VAL HB 1 75 ARG QG . . 4.250 2.963 2.699 3.134 . 0 0 "[ . 1 . 2]" 1
194 1 21 VAL HB 1 79 LEU HG . . 3.770 3.671 3.502 3.765 . 0 0 "[ . 1 . 2]" 1
195 1 21 VAL MG1 1 23 ILE HG13 . . 4.150 4.019 3.800 4.165 0.015 15 0 "[ . 1 . 2]" 1
196 1 21 VAL MG1 1 61 GLN HA . . 4.540 4.073 3.831 4.285 . 0 0 "[ . 1 . 2]" 1
197 1 21 VAL MG1 1 62 ILE H . . 4.020 2.692 2.457 2.921 . 0 0 "[ . 1 . 2]" 1
198 1 21 VAL MG1 1 62 ILE HB . . 3.440 1.888 1.813 2.106 . 0 0 "[ . 1 . 2]" 1
199 1 21 VAL MG1 1 62 ILE MD . . 4.080 2.751 2.617 2.934 . 0 0 "[ . 1 . 2]" 1
200 1 21 VAL MG1 1 62 ILE HG13 . . 4.180 3.624 3.494 3.893 . 0 0 "[ . 1 . 2]" 1
201 1 21 VAL MG1 1 62 ILE MG . . 3.460 2.663 2.515 2.897 . 0 0 "[ . 1 . 2]" 1
202 1 21 VAL MG1 1 64 ILE MD . . 3.560 3.252 3.080 3.439 . 0 0 "[ . 1 . 2]" 1
203 1 21 VAL MG1 1 64 ILE HG12 . . 4.200 3.648 3.464 3.936 . 0 0 "[ . 1 . 2]" 1
204 1 21 VAL MG1 1 75 ARG HA . . 4.140 3.917 3.752 4.018 . 0 0 "[ . 1 . 2]" 1
205 1 21 VAL MG2 1 22 ALA H . . 3.360 2.919 2.586 3.213 . 0 0 "[ . 1 . 2]" 1
206 1 21 VAL MG2 1 79 LEU HG . . 3.410 2.222 1.991 2.489 . 0 0 "[ . 1 . 2]" 1
207 1 22 ALA H 1 22 ALA MB . . 3.020 2.123 2.035 2.236 . 0 0 "[ . 1 . 2]" 1
208 1 22 ALA H 1 23 ILE H . . 4.520 4.425 4.339 4.468 . 0 0 "[ . 1 . 2]" 1
209 1 22 ALA H 1 23 ILE MG . . 4.880 4.415 4.325 4.519 . 0 0 "[ . 1 . 2]" 1
210 1 22 ALA H 1 61 GLN QB . . 5.170 3.972 3.857 4.193 . 0 0 "[ . 1 . 2]" 1
211 1 22 ALA HA 1 23 ILE H . . 2.900 2.146 2.141 2.161 . 0 0 "[ . 1 . 2]" 1
212 1 22 ALA HA 1 61 GLN HA . . 4.410 2.427 2.360 2.490 . 0 0 "[ . 1 . 2]" 1
213 1 22 ALA HA 1 62 ILE H . . 4.280 3.940 3.817 4.075 . 0 0 "[ . 1 . 2]" 1
214 1 22 ALA MB 1 23 ILE H . . 3.420 3.332 3.265 3.400 . 0 0 "[ . 1 . 2]" 1
215 1 22 ALA MB 1 60 ASN HD21 . . 4.610 4.424 3.987 4.618 0.008 17 0 "[ . 1 . 2]" 1
216 1 22 ALA MB 1 60 ASN HD22 . . 3.850 3.738 3.503 3.854 0.004 3 0 "[ . 1 . 2]" 1
217 1 22 ALA MB 1 61 GLN H . . 5.500 5.452 5.313 5.519 0.019 15 0 "[ . 1 . 2]" 1
218 1 22 ALA MB 1 61 GLN HA . . 4.600 4.009 3.931 4.104 . 0 0 "[ . 1 . 2]" 1
219 1 22 ALA MB 1 61 GLN QB . . 4.850 3.178 2.994 3.721 . 0 0 "[ . 1 . 2]" 1
220 1 22 ALA MB 1 61 GLN HE21 . . 4.980 3.852 2.355 4.635 . 0 0 "[ . 1 . 2]" 1
221 1 22 ALA MB 1 61 GLN QE . . 4.260 3.596 2.162 4.134 . 0 0 "[ . 1 . 2]" 1
222 1 22 ALA MB 1 61 GLN HE22 . . 4.980 4.429 2.519 4.929 . 0 0 "[ . 1 . 2]" 1
223 1 22 ALA MB 1 61 GLN QG . . 4.920 4.244 2.407 4.920 . 0 0 "[ . 1 . 2]" 1
224 1 22 ALA MB 1 62 ILE H . . 5.500 5.276 5.182 5.372 . 0 0 "[ . 1 . 2]" 1
225 1 23 ILE H 1 23 ILE HB . . 4.040 3.794 3.755 3.827 . 0 0 "[ . 1 . 2]" 1
226 1 23 ILE H 1 23 ILE MD . . 4.000 3.939 3.886 3.993 . 0 0 "[ . 1 . 2]" 1
227 1 23 ILE H 1 23 ILE HG12 . . 3.520 2.426 2.256 2.629 . 0 0 "[ . 1 . 2]" 1
228 1 23 ILE H 1 23 ILE HG13 . . 3.810 2.691 2.518 2.849 . 0 0 "[ . 1 . 2]" 1
229 1 23 ILE H 1 23 ILE MG . . 3.610 3.402 3.316 3.454 . 0 0 "[ . 1 . 2]" 1
230 1 23 ILE H 1 24 PRO HA . . 5.070 5.047 5.004 5.080 0.010 15 0 "[ . 1 . 2]" 1
231 1 23 ILE H 1 24 PRO QD . . 4.790 4.329 4.316 4.336 . 0 0 "[ . 1 . 2]" 1
232 1 23 ILE H 1 28 HIS HE2 . . 4.060 3.314 3.055 3.610 . 0 0 "[ . 1 . 2]" 1
233 1 23 ILE H 1 60 ASN HB2 . . 4.290 4.005 3.871 4.100 . 0 0 "[ . 1 . 2]" 1
234 1 23 ILE H 1 60 ASN HB3 . . 5.500 5.491 5.442 5.509 0.009 15 0 "[ . 1 . 2]" 1
235 1 23 ILE H 1 60 ASN HD21 . . 4.430 3.216 2.625 3.432 . 0 0 "[ . 1 . 2]" 1
236 1 23 ILE H 1 60 ASN HD22 . . 4.880 3.878 3.628 4.088 . 0 0 "[ . 1 . 2]" 1
237 1 23 ILE H 1 61 GLN HA . . 3.760 2.621 2.525 2.751 . 0 0 "[ . 1 . 2]" 1
238 1 23 ILE H 1 61 GLN HB2 . . 5.290 4.821 4.488 5.304 0.014 17 0 "[ . 1 . 2]" 1
239 1 23 ILE H 1 61 GLN QB . . 4.450 3.895 3.702 4.250 . 0 0 "[ . 1 . 2]" 1
240 1 23 ILE H 1 61 GLN HB3 . . 5.290 4.115 3.932 4.473 . 0 0 "[ . 1 . 2]" 1
241 1 23 ILE H 1 62 ILE H . . 4.490 3.835 3.680 3.961 . 0 0 "[ . 1 . 2]" 1
242 1 23 ILE H 1 62 ILE MD . . 5.500 5.457 5.226 5.508 0.008 9 0 "[ . 1 . 2]" 1
243 1 23 ILE HA 1 23 ILE MD . . 4.750 4.153 4.135 4.175 . 0 0 "[ . 1 . 2]" 1
244 1 23 ILE HA 1 24 PRO HD2 . . 4.080 2.432 2.416 2.464 . 0 0 "[ . 1 . 2]" 1
245 1 23 ILE HA 1 24 PRO QD . . 3.530 2.109 2.099 2.128 . 0 0 "[ . 1 . 2]" 1
246 1 23 ILE HA 1 24 PRO HD3 . . 4.080 2.313 2.306 2.327 . 0 0 "[ . 1 . 2]" 1
247 1 23 ILE HB 1 23 ILE MD . . 3.600 2.418 2.277 2.516 . 0 0 "[ . 1 . 2]" 1
248 1 23 ILE HB 1 24 PRO HD2 . . 3.880 2.006 1.984 2.055 . 0 0 "[ . 1 . 2]" 1
249 1 23 ILE HB 1 24 PRO QD . . 3.250 1.994 1.972 2.041 . 0 0 "[ . 1 . 2]" 1
250 1 23 ILE HB 1 24 PRO HD3 . . 3.880 3.455 3.437 3.496 . 0 0 "[ . 1 . 2]" 1
251 1 23 ILE HB 1 24 PRO QG . . 4.840 3.553 3.523 3.584 . 0 0 "[ . 1 . 2]" 1
252 1 23 ILE HB 1 28 HIS H . . 5.020 4.682 4.375 4.924 . 0 0 "[ . 1 . 2]" 1
253 1 23 ILE HB 1 28 HIS HD2 . . 4.830 3.159 2.915 3.389 . 0 0 "[ . 1 . 2]" 1
254 1 23 ILE HB 1 28 HIS HE2 . . 5.500 4.139 3.936 4.385 . 0 0 "[ . 1 . 2]" 1
255 1 23 ILE HB 1 62 ILE MD . . 4.970 4.687 4.561 4.854 . 0 0 "[ . 1 . 2]" 1
256 1 23 ILE HB 1 82 SER QB . . 4.560 3.442 3.289 3.729 . 0 0 "[ . 1 . 2]" 1
257 1 23 ILE MD 1 23 ILE MG . . 2.990 2.023 1.893 2.268 . 0 0 "[ . 1 . 2]" 1
258 1 23 ILE MD 1 27 HIS HB2 . . 3.930 3.441 3.018 3.853 . 0 0 "[ . 1 . 2]" 1
259 1 23 ILE MD 1 27 HIS HB3 . . 3.910 3.586 3.058 3.898 . 0 0 "[ . 1 . 2]" 1
260 1 23 ILE MD 1 28 HIS H . . 4.320 4.058 3.361 4.317 . 0 0 "[ . 1 . 2]" 1
261 1 23 ILE MD 1 28 HIS HA . . 3.900 2.871 2.546 3.215 . 0 0 "[ . 1 . 2]" 1
262 1 23 ILE MD 1 28 HIS HD2 . . 3.750 2.274 2.007 2.498 . 0 0 "[ . 1 . 2]" 1
263 1 23 ILE MD 1 28 HIS HE2 . . 5.310 3.189 3.009 3.337 . 0 0 "[ . 1 . 2]" 1
264 1 23 ILE MD 1 62 ILE HB . . 4.670 2.797 2.595 2.997 . 0 0 "[ . 1 . 2]" 1
265 1 23 ILE MD 1 62 ILE MD . . 3.380 1.752 1.696 1.877 . 0 0 "[ . 1 . 2]" 1
266 1 23 ILE MD 1 62 ILE MG . . 4.020 3.729 3.632 3.846 . 0 0 "[ . 1 . 2]" 1
267 1 23 ILE MD 1 82 SER QB . . 3.560 3.383 3.023 3.563 0.003 15 0 "[ . 1 . 2]" 1
268 1 23 ILE HG12 1 28 HIS HD2 . . 4.050 4.011 3.944 4.057 0.007 19 0 "[ . 1 . 2]" 1
269 1 23 ILE HG12 1 28 HIS HE2 . . 4.980 3.308 3.150 3.432 . 0 0 "[ . 1 . 2]" 1
270 1 23 ILE HG12 1 62 ILE MD . . 4.260 3.634 3.509 3.767 . 0 0 "[ . 1 . 2]" 1
271 1 23 ILE HG13 1 27 HIS H . . 5.500 5.476 5.313 5.511 0.011 17 0 "[ . 1 . 2]" 1
272 1 23 ILE HG13 1 28 HIS HD2 . . 3.750 2.381 2.248 2.501 . 0 0 "[ . 1 . 2]" 1
273 1 23 ILE HG13 1 28 HIS HE2 . . 4.920 1.939 1.893 2.070 . 0 0 "[ . 1 . 2]" 1
274 1 23 ILE HG13 1 60 ASN HD21 . . 4.620 4.477 4.198 4.617 . 0 0 "[ . 1 . 2]" 1
275 1 23 ILE HG13 1 62 ILE MD . . 3.960 3.565 3.222 3.815 . 0 0 "[ . 1 . 2]" 1
276 1 23 ILE MG 1 24 PRO HD2 . . 4.290 2.670 2.484 2.812 . 0 0 "[ . 1 . 2]" 1
277 1 23 ILE MG 1 24 PRO QD . . 3.730 2.591 2.425 2.720 . 0 0 "[ . 1 . 2]" 1
278 1 23 ILE MG 1 24 PRO HD3 . . 4.290 3.506 3.391 3.614 . 0 0 "[ . 1 . 2]" 1
279 1 23 ILE MG 1 27 HIS H . . 5.500 5.480 5.336 5.525 0.025 17 0 "[ . 1 . 2]" 1
280 1 23 ILE MG 1 27 HIS HB2 . . 4.460 3.575 3.396 3.658 . 0 0 "[ . 1 . 2]" 1
281 1 23 ILE MG 1 27 HIS HB3 . . 4.520 3.773 3.509 4.033 . 0 0 "[ . 1 . 2]" 1
282 1 23 ILE MG 1 28 HIS HD2 . . 4.660 4.398 4.248 4.498 . 0 0 "[ . 1 . 2]" 1
283 1 23 ILE MG 1 82 SER QB . . 3.530 2.016 1.923 2.205 . 0 0 "[ . 1 . 2]" 1
284 1 23 ILE MG 1 83 ALA H . . 5.120 4.953 4.759 5.079 . 0 0 "[ . 1 . 2]" 1
285 1 24 PRO HA 1 25 LYS H . . 2.920 2.211 2.176 2.249 . 0 0 "[ . 1 . 2]" 1
286 1 24 PRO HA 1 25 LYS HA . . 5.040 4.336 4.323 4.349 . 0 0 "[ . 1 . 2]" 1
287 1 24 PRO HA 1 25 LYS QB . . 4.970 4.296 4.077 4.537 . 0 0 "[ . 1 . 2]" 1
288 1 24 PRO HA 1 26 GLU H . . 4.460 3.682 3.637 3.802 . 0 0 "[ . 1 . 2]" 1
289 1 24 PRO HA 1 27 HIS H . . 5.160 4.584 4.543 4.630 . 0 0 "[ . 1 . 2]" 1
290 1 24 PRO HA 1 60 ASN HD21 . . 4.420 2.711 2.404 3.392 . 0 0 "[ . 1 . 2]" 1
291 1 24 PRO HA 1 60 ASN HD22 . . 4.750 4.019 3.796 4.367 . 0 0 "[ . 1 . 2]" 1
292 1 24 PRO HB2 1 26 GLU H . . 4.430 2.207 2.131 2.279 . 0 0 "[ . 1 . 2]" 1
293 1 24 PRO HB2 1 27 HIS H . . 3.830 3.192 3.062 3.343 . 0 0 "[ . 1 . 2]" 1
294 1 24 PRO HB2 1 27 HIS HE1 . . 5.500 5.439 5.217 5.506 0.006 5 0 "[ . 1 . 2]" 1
295 1 24 PRO HB3 1 25 LYS H . . 3.930 3.780 3.689 3.881 . 0 0 "[ . 1 . 2]" 1
296 1 24 PRO HB3 1 27 HIS H . . 4.800 4.677 4.560 4.804 0.004 15 0 "[ . 1 . 2]" 1
297 1 24 PRO QG 1 26 GLU H . . 3.570 3.401 3.245 3.526 . 0 0 "[ . 1 . 2]" 1
298 1 24 PRO QG 1 27 HIS H . . 4.690 2.593 2.448 2.733 . 0 0 "[ . 1 . 2]" 1
299 1 24 PRO QG 1 27 HIS HE1 . . 4.510 2.933 2.790 3.049 . 0 0 "[ . 1 . 2]" 1
300 1 25 LYS H 1 25 LYS HB2 . . 3.650 2.360 2.176 2.622 . 0 0 "[ . 1 . 2]" 1
301 1 25 LYS H 1 25 LYS QB . . 3.010 2.307 2.122 2.561 . 0 0 "[ . 1 . 2]" 1
302 1 25 LYS H 1 25 LYS HB3 . . 3.650 3.282 2.882 3.590 . 0 0 "[ . 1 . 2]" 1
303 1 25 LYS H 1 25 LYS QD . . 4.490 3.782 3.125 4.425 . 0 0 "[ . 1 . 2]" 1
304 1 25 LYS H 1 25 LYS HG2 . . 4.630 3.483 1.936 4.637 0.007 19 0 "[ . 1 . 2]" 1
305 1 25 LYS H 1 25 LYS HG3 . . 4.630 3.661 2.361 4.453 . 0 0 "[ . 1 . 2]" 1
306 1 25 LYS H 1 26 GLU H . . 3.660 2.711 2.665 2.765 . 0 0 "[ . 1 . 2]" 1
307 1 25 LYS H 1 60 ASN HB2 . . 4.050 3.300 3.029 3.628 . 0 0 "[ . 1 . 2]" 1
308 1 25 LYS H 1 60 ASN HB3 . . 3.960 3.807 3.644 3.961 0.001 20 0 "[ . 1 . 2]" 1
309 1 25 LYS H 1 60 ASN HD21 . . 4.650 4.018 3.643 4.543 . 0 0 "[ . 1 . 2]" 1
310 1 25 LYS H 1 60 ASN HD22 . . 5.500 5.391 5.061 5.509 0.009 5 0 "[ . 1 . 2]" 1
311 1 25 LYS HA 1 25 LYS QD . . 3.700 2.719 2.034 3.680 . 0 0 "[ . 1 . 2]" 1
312 1 25 LYS HA 1 25 LYS QG . . 3.680 2.509 2.240 2.974 . 0 0 "[ . 1 . 2]" 1
313 1 25 LYS HA 1 27 HIS H . . 4.350 3.889 3.696 4.098 . 0 0 "[ . 1 . 2]" 1
314 1 25 LYS HA 1 28 HIS H . . 4.100 3.261 3.193 3.434 . 0 0 "[ . 1 . 2]" 1
315 1 25 LYS HA 1 28 HIS HA . . 5.500 4.955 4.766 5.193 . 0 0 "[ . 1 . 2]" 1
316 1 25 LYS HA 1 28 HIS HD2 . . 4.280 3.400 3.119 3.827 . 0 0 "[ . 1 . 2]" 1
317 1 25 LYS HA 1 28 HIS HE1 . . 5.130 4.556 3.789 5.125 . 0 0 "[ . 1 . 2]" 1
318 1 25 LYS HA 1 28 HIS HE2 . . 5.000 4.108 3.747 4.384 . 0 0 "[ . 1 . 2]" 1
319 1 25 LYS HA 1 60 ASN HB2 . . 4.450 3.801 3.693 3.902 . 0 0 "[ . 1 . 2]" 1
320 1 25 LYS QB 1 26 GLU H . . 3.740 3.171 3.062 3.351 . 0 0 "[ . 1 . 2]" 1
321 1 25 LYS QB 1 60 ASN HB2 . . 4.570 4.264 3.838 4.579 0.009 20 0 "[ . 1 . 2]" 1
322 1 25 LYS QB 1 60 ASN HB3 . . 4.590 4.078 3.467 4.590 0.000 13 0 "[ . 1 . 2]" 1
323 1 25 LYS HB2 1 26 GLU H . . 4.590 3.601 3.162 4.019 . 0 0 "[ . 1 . 2]" 1
324 1 25 LYS HB2 1 60 ASN HB3 . . 5.420 4.320 3.518 5.042 . 0 0 "[ . 1 . 2]" 1
325 1 25 LYS HB3 1 26 GLU H . . 4.590 3.763 3.217 4.204 . 0 0 "[ . 1 . 2]" 1
326 1 25 LYS HB3 1 60 ASN HB3 . . 5.420 5.303 4.997 5.432 0.012 15 0 "[ . 1 . 2]" 1
327 1 25 LYS QD 1 28 HIS HE1 . . 4.900 3.988 2.376 4.853 . 0 0 "[ . 1 . 2]" 1
328 1 25 LYS QD 1 59 SER H . . 5.500 5.119 4.413 5.514 0.014 5 0 "[ . 1 . 2]" 1
329 1 25 LYS QD 1 60 ASN HA . . 5.060 3.086 2.032 4.041 . 0 0 "[ . 1 . 2]" 1
330 1 25 LYS QD 1 60 ASN HB2 . . 5.040 3.611 2.487 4.720 . 0 0 "[ . 1 . 2]" 1
331 1 25 LYS QD 1 60 ASN HB3 . . 4.880 3.012 1.991 4.142 . 0 0 "[ . 1 . 2]" 1
332 1 25 LYS QE 1 25 LYS QG . . 3.280 2.358 2.008 2.674 . 0 0 "[ . 1 . 2]" 1
333 1 25 LYS QE 1 55 PRO HA . . 3.890 2.850 1.964 3.829 . 0 0 "[ . 1 . 2]" 1
334 1 25 LYS QE 1 59 SER H . . 5.340 5.156 3.888 5.350 0.010 17 0 "[ . 1 . 2]" 1
335 1 25 LYS HE2 1 55 PRO HA . . 4.640 3.453 2.247 4.648 0.008 19 0 "[ . 1 . 2]" 1
336 1 25 LYS HE3 1 55 PRO HA . . 4.640 3.153 2.032 4.639 . 0 0 "[ . 1 . 2]" 1
337 1 25 LYS QG 1 26 GLU H . . 4.510 4.370 4.150 4.494 . 0 0 "[ . 1 . 2]" 1
338 1 26 GLU H 1 26 GLU QB . . 3.070 2.396 2.122 2.856 . 0 0 "[ . 1 . 2]" 1
339 1 26 GLU H 1 26 GLU HG2 . . 4.460 2.798 2.264 4.466 0.006 7 0 "[ . 1 . 2]" 1
340 1 26 GLU H 1 26 GLU QG . . 3.680 2.665 2.001 3.727 0.047 7 0 "[ . 1 . 2]" 1
341 1 26 GLU H 1 26 GLU HG3 . . 4.460 3.671 2.230 4.402 . 0 0 "[ . 1 . 2]" 1
342 1 26 GLU H 1 27 HIS H . . 3.480 2.361 2.175 2.478 . 0 0 "[ . 1 . 2]" 1
343 1 26 GLU H 1 27 HIS HB2 . . 5.350 4.483 4.230 4.690 . 0 0 "[ . 1 . 2]" 1
344 1 26 GLU H 1 28 HIS H . . 4.480 3.775 3.693 3.881 . 0 0 "[ . 1 . 2]" 1
345 1 26 GLU HA 1 26 GLU HG2 . . 3.940 3.745 3.620 3.976 0.036 15 0 "[ . 1 . 2]" 1
346 1 26 GLU HA 1 26 GLU QG . . 3.410 3.239 2.735 3.325 . 0 0 "[ . 1 . 2]" 1
347 1 26 GLU HA 1 26 GLU HG3 . . 3.940 3.592 2.817 3.801 . 0 0 "[ . 1 . 2]" 1
348 1 26 GLU HA 1 28 HIS H . . 4.410 4.063 3.916 4.387 . 0 0 "[ . 1 . 2]" 1
349 1 26 GLU QB 1 27 HIS H . . 3.750 3.517 2.953 3.750 . 5 0 "[ . 1 . 2]" 1
350 1 26 GLU QB 1 27 HIS HA . . 5.440 4.607 4.330 4.715 . 0 0 "[ . 1 . 2]" 1
351 1 26 GLU QB 1 27 HIS HD2 . . 4.380 3.954 3.473 4.319 . 0 0 "[ . 1 . 2]" 1
352 1 26 GLU QG 1 27 HIS H . . 3.630 2.499 1.979 3.414 . 0 0 "[ . 1 . 2]" 1
353 1 26 GLU QG 1 27 HIS HD2 . . 4.100 2.272 1.978 3.222 . 0 0 "[ . 1 . 2]" 1
354 1 26 GLU QG 1 28 HIS H . . 5.340 4.401 4.088 5.035 . 0 0 "[ . 1 . 2]" 1
355 1 26 GLU HG2 1 27 HIS HD2 . . 4.870 3.219 1.999 4.874 0.004 19 0 "[ . 1 . 2]" 1
356 1 26 GLU HG3 1 27 HIS HD2 . . 4.870 2.435 2.000 3.269 . 0 0 "[ . 1 . 2]" 1
357 1 27 HIS H 1 27 HIS HB2 . . 3.280 2.404 2.338 2.436 . 0 0 "[ . 1 . 2]" 1
358 1 27 HIS H 1 27 HIS HB3 . . 3.640 3.624 3.592 3.650 0.010 19 0 "[ . 1 . 2]" 1
359 1 27 HIS H 1 27 HIS HD2 . . 3.950 3.610 3.378 3.935 . 0 0 "[ . 1 . 2]" 1
360 1 27 HIS H 1 28 HIS HA . . 5.500 4.767 4.618 4.855 . 0 0 "[ . 1 . 2]" 1
361 1 27 HIS H 1 28 HIS HB2 . . 5.060 4.250 4.068 4.388 . 0 0 "[ . 1 . 2]" 1
362 1 27 HIS H 1 28 HIS HD2 . . 4.390 3.776 3.469 4.204 . 0 0 "[ . 1 . 2]" 1
363 1 27 HIS H 1 29 ARG HG2 . . 5.250 4.845 4.537 5.097 . 0 0 "[ . 1 . 2]" 1
364 1 27 HIS H 1 30 PHE QD . . 4.880 4.706 4.511 4.842 . 0 0 "[ . 1 . 2]" 1
365 1 27 HIS HA 1 27 HIS HD2 . . 3.850 2.317 2.224 2.388 . 0 0 "[ . 1 . 2]" 1
366 1 27 HIS HA 1 29 ARG H . . 4.940 4.061 3.619 4.438 . 0 0 "[ . 1 . 2]" 1
367 1 27 HIS HA 1 30 PHE H . . 4.250 3.221 2.971 3.443 . 0 0 "[ . 1 . 2]" 1
368 1 27 HIS HA 1 30 PHE QB . . 4.910 2.734 2.398 3.073 . 0 0 "[ . 1 . 2]" 1
369 1 27 HIS HA 1 30 PHE QD . . 3.490 2.114 1.999 2.429 . 0 0 "[ . 1 . 2]" 1
370 1 27 HIS HA 1 30 PHE QE . . 4.220 3.999 3.624 4.218 . 0 0 "[ . 1 . 2]" 1
371 1 27 HIS HA 1 81 ILE MG . . 5.000 4.639 4.168 4.964 . 0 0 "[ . 1 . 2]" 1
372 1 27 HIS HA 1 85 GLN HG2 . . 5.500 5.171 4.820 5.458 . 0 0 "[ . 1 . 2]" 1
373 1 27 HIS HA 1 85 GLN HG3 . . 5.260 3.707 3.242 3.998 . 0 0 "[ . 1 . 2]" 1
374 1 27 HIS HB2 1 28 HIS H . . 4.030 3.198 2.879 3.359 . 0 0 "[ . 1 . 2]" 1
375 1 27 HIS HB2 1 82 SER HA . . 5.100 4.296 4.014 4.576 . 0 0 "[ . 1 . 2]" 1
376 1 27 HIS HB3 1 28 HIS H . . 4.530 3.998 3.748 4.145 . 0 0 "[ . 1 . 2]" 1
377 1 27 HIS HB3 1 31 VAL MG2 . . 4.980 3.614 3.321 3.829 . 0 0 "[ . 1 . 2]" 1
378 1 27 HIS HB3 1 81 ILE MG . . 4.570 4.069 3.612 4.458 . 0 0 "[ . 1 . 2]" 1
379 1 27 HIS HB3 1 82 SER HA . . 4.690 3.103 2.646 3.553 . 0 0 "[ . 1 . 2]" 1
380 1 27 HIS HB3 1 82 SER QB . . 5.270 3.024 2.709 3.303 . 0 0 "[ . 1 . 2]" 1
381 1 27 HIS HD2 1 30 PHE QD . . 4.910 3.069 2.440 3.710 . 0 0 "[ . 1 . 2]" 1
382 1 27 HIS HD2 1 30 PHE QE . . 4.770 3.576 3.184 3.906 . 0 0 "[ . 1 . 2]" 1
383 1 27 HIS HD2 1 85 GLN HG2 . . 4.650 4.275 3.948 4.528 . 0 0 "[ . 1 . 2]" 1
384 1 27 HIS HE1 1 82 SER HA . . 5.200 3.812 2.960 4.628 . 0 0 "[ . 1 . 2]" 1
385 1 27 HIS HE1 1 82 SER QB . . 5.500 3.704 2.822 4.558 . 0 0 "[ . 1 . 2]" 1
386 1 27 HIS HE1 1 85 GLN HA . . 5.500 5.420 5.192 5.503 0.003 2 0 "[ . 1 . 2]" 1
387 1 27 HIS HE1 1 85 GLN HB2 . . 4.730 2.631 2.358 2.944 . 0 0 "[ . 1 . 2]" 1
388 1 27 HIS HE1 1 85 GLN HB3 . . 4.980 3.696 3.453 3.985 . 0 0 "[ . 1 . 2]" 1
389 1 27 HIS HE1 1 86 ASP HA . . 5.140 3.942 3.465 4.729 . 0 0 "[ . 1 . 2]" 1
390 1 27 HIS HE1 1 86 ASP QB . . 4.690 3.537 2.627 4.198 . 0 0 "[ . 1 . 2]" 1
391 1 28 HIS H 1 28 HIS HB2 . . 3.510 2.293 2.222 2.480 . 0 0 "[ . 1 . 2]" 1
392 1 28 HIS H 1 28 HIS HB3 . . 3.650 3.547 3.519 3.605 . 0 0 "[ . 1 . 2]" 1
393 1 28 HIS H 1 28 HIS HD2 . . 3.230 2.672 2.296 2.918 . 0 0 "[ . 1 . 2]" 1
394 1 28 HIS H 1 28 HIS HE2 . . 5.220 5.039 4.634 5.225 0.005 3 0 "[ . 1 . 2]" 1
395 1 28 HIS H 1 29 ARG H . . 3.490 2.754 2.528 3.001 . 0 0 "[ . 1 . 2]" 1
396 1 28 HIS H 1 29 ARG HG2 . . 4.830 4.192 3.894 4.390 . 0 0 "[ . 1 . 2]" 1
397 1 28 HIS H 1 30 PHE H . . 4.700 4.152 3.893 4.469 . 0 0 "[ . 1 . 2]" 1
398 1 28 HIS H 1 30 PHE QD . . 5.330 4.929 4.224 5.247 . 0 0 "[ . 1 . 2]" 1
399 1 28 HIS H 1 62 ILE MD . . 5.130 5.030 4.771 5.135 0.005 15 0 "[ . 1 . 2]" 1
400 1 28 HIS HA 1 28 HIS HD2 . . 3.950 2.775 2.421 3.110 . 0 0 "[ . 1 . 2]" 1
401 1 28 HIS HA 1 31 VAL H . . 3.910 3.562 3.382 3.749 . 0 0 "[ . 1 . 2]" 1
402 1 28 HIS HA 1 31 VAL HB . . 4.150 3.204 2.988 3.484 . 0 0 "[ . 1 . 2]" 1
403 1 28 HIS HA 1 31 VAL MG2 . . 3.670 2.927 2.601 3.305 . 0 0 "[ . 1 . 2]" 1
404 1 28 HIS HA 1 52 ILE MD . . 4.290 4.020 3.405 4.217 . 0 0 "[ . 1 . 2]" 1
405 1 28 HIS HA 1 62 ILE MD . . 4.170 2.895 2.725 3.000 . 0 0 "[ . 1 . 2]" 1
406 1 28 HIS HB2 1 29 ARG H . . 3.840 2.737 2.524 3.091 . 0 0 "[ . 1 . 2]" 1
407 1 28 HIS HB2 1 32 ILE MD . . 4.860 4.224 3.625 4.631 . 0 0 "[ . 1 . 2]" 1
408 1 28 HIS HB2 1 52 ILE MD . . 5.270 5.048 4.450 5.272 0.002 9 0 "[ . 1 . 2]" 1
409 1 28 HIS HB2 1 52 ILE MG . . 4.150 3.969 3.670 4.157 0.007 15 0 "[ . 1 . 2]" 1
410 1 28 HIS HB3 1 29 ARG H . . 3.630 3.389 3.060 3.629 . 0 0 "[ . 1 . 2]" 1
411 1 28 HIS HB3 1 32 ILE MD . . 5.020 2.987 2.414 3.382 . 0 0 "[ . 1 . 2]" 1
412 1 28 HIS HB3 1 52 ILE MG . . 4.060 2.704 2.322 2.916 . 0 0 "[ . 1 . 2]" 1
413 1 28 HIS HD2 1 29 ARG H . . 5.500 5.034 4.930 5.098 . 0 0 "[ . 1 . 2]" 1
414 1 28 HIS HD2 1 31 VAL MG2 . . 5.040 4.413 3.669 4.877 . 0 0 "[ . 1 . 2]" 1
415 1 28 HIS HD2 1 62 ILE MD . . 4.350 3.550 2.783 3.974 . 0 0 "[ . 1 . 2]" 1
416 1 28 HIS HE1 1 52 ILE HA . . 5.200 4.273 3.905 4.786 . 0 0 "[ . 1 . 2]" 1
417 1 28 HIS HE1 1 52 ILE MG . . 4.940 3.117 2.861 3.631 . 0 0 "[ . 1 . 2]" 1
418 1 28 HIS HE1 1 53 PRO QB . . 5.110 4.015 3.860 4.623 . 0 0 "[ . 1 . 2]" 1
419 1 28 HIS HE1 1 53 PRO HD2 . . 4.200 2.328 2.002 2.807 . 0 0 "[ . 1 . 2]" 1
420 1 28 HIS HE1 1 53 PRO HD3 . . 4.500 3.329 2.782 4.002 . 0 0 "[ . 1 . 2]" 1
421 1 28 HIS HE1 1 53 PRO HG2 . . 4.610 2.173 1.999 2.777 . 0 0 "[ . 1 . 2]" 1
422 1 28 HIS HE1 1 53 PRO QG . . 3.960 2.046 1.901 2.635 . 0 0 "[ . 1 . 2]" 1
423 1 28 HIS HE1 1 53 PRO HG3 . . 4.610 2.582 2.267 3.278 . 0 0 "[ . 1 . 2]" 1
424 1 28 HIS HE1 1 60 ASN H . . 5.170 4.892 4.688 5.135 . 0 0 "[ . 1 . 2]" 1
425 1 28 HIS HE1 1 60 ASN HA . . 4.120 2.359 1.995 2.696 . 0 0 "[ . 1 . 2]" 1
426 1 28 HIS HE1 1 60 ASN HB2 . . 5.270 4.082 3.590 4.537 . 0 0 "[ . 1 . 2]" 1
427 1 28 HIS HE1 1 61 GLN H . . 4.480 3.845 3.445 4.244 . 0 0 "[ . 1 . 2]" 1
428 1 28 HIS HE1 1 62 ILE MD . . 5.020 4.579 4.267 4.923 . 0 0 "[ . 1 . 2]" 1
429 1 28 HIS HE1 1 62 ILE HG12 . . 4.880 4.303 3.887 4.859 . 0 0 "[ . 1 . 2]" 1
430 1 28 HIS HE1 1 62 ILE HG13 . . 4.650 3.520 3.042 4.075 . 0 0 "[ . 1 . 2]" 1
431 1 28 HIS HE2 1 60 ASN HA . . 4.700 3.072 2.612 3.377 . 0 0 "[ . 1 . 2]" 1
432 1 28 HIS HE2 1 60 ASN HB2 . . 4.950 3.045 2.677 3.542 . 0 0 "[ . 1 . 2]" 1
433 1 28 HIS HE2 1 62 ILE MD . . 5.340 4.047 3.517 4.368 . 0 0 "[ . 1 . 2]" 1
434 1 29 ARG H 1 29 ARG HB2 . . 3.700 3.590 3.563 3.637 . 0 0 "[ . 1 . 2]" 1
435 1 29 ARG H 1 29 ARG QB . . 3.080 2.442 2.307 2.585 . 0 0 "[ . 1 . 2]" 1
436 1 29 ARG H 1 29 ARG HB3 . . 3.700 2.486 2.337 2.648 . 0 0 "[ . 1 . 2]" 1
437 1 29 ARG H 1 29 ARG QD . . 4.460 3.936 3.330 4.386 . 0 0 "[ . 1 . 2]" 1
438 1 29 ARG H 1 29 ARG HG2 . . 3.180 2.284 1.973 2.547 . 0 0 "[ . 1 . 2]" 1
439 1 29 ARG H 1 29 ARG HG3 . . 3.750 3.400 2.906 3.751 0.001 7 0 "[ . 1 . 2]" 1
440 1 29 ARG H 1 30 PHE H . . 3.580 2.646 2.311 2.905 . 0 0 "[ . 1 . 2]" 1
441 1 29 ARG H 1 30 PHE QD . . 4.890 4.406 3.501 4.889 . 0 0 "[ . 1 . 2]" 1
442 1 29 ARG H 1 31 VAL H . . 5.220 4.032 3.884 4.234 . 0 0 "[ . 1 . 2]" 1
443 1 29 ARG H 1 32 ILE H . . 5.500 4.825 4.699 4.983 . 0 0 "[ . 1 . 2]" 1
444 1 29 ARG H 1 32 ILE MD . . 4.510 4.169 3.745 4.438 . 0 0 "[ . 1 . 2]" 1
445 1 29 ARG HA 1 29 ARG QD . . 4.710 4.390 4.233 4.565 . 0 0 "[ . 1 . 2]" 1
446 1 29 ARG HA 1 31 VAL H . . 5.100 3.835 3.517 4.073 . 0 0 "[ . 1 . 2]" 1
447 1 29 ARG HA 1 32 ILE H . . 3.810 3.190 2.992 3.375 . 0 0 "[ . 1 . 2]" 1
448 1 29 ARG HA 1 32 ILE HB . . 3.240 2.773 2.543 3.017 . 0 0 "[ . 1 . 2]" 1
449 1 29 ARG HA 1 32 ILE MD . . 3.500 2.489 2.108 2.760 . 0 0 "[ . 1 . 2]" 1
450 1 29 ARG HA 1 32 ILE HG12 . . 4.860 4.699 4.468 4.860 . 0 0 "[ . 1 . 2]" 1
451 1 29 ARG HA 1 32 ILE HG13 . . 4.530 3.416 3.118 3.663 . 0 0 "[ . 1 . 2]" 1
452 1 29 ARG HA 1 33 GLY H . . 4.580 3.923 3.714 4.218 . 0 0 "[ . 1 . 2]" 1
453 1 29 ARG HB2 1 29 ARG QD . . 3.640 2.541 2.086 3.070 . 0 0 "[ . 1 . 2]" 1
454 1 29 ARG HB2 1 30 PHE H . . 4.450 3.852 3.588 4.092 . 0 0 "[ . 1 . 2]" 1
455 1 29 ARG HB3 1 29 ARG QD . . 3.640 2.593 2.215 3.121 . 0 0 "[ . 1 . 2]" 1
456 1 29 ARG HB3 1 30 PHE H . . 4.450 3.905 3.754 4.150 . 0 0 "[ . 1 . 2]" 1
457 1 29 ARG QD 1 30 PHE H . . 5.090 4.081 3.797 4.402 . 0 0 "[ . 1 . 2]" 1
458 1 29 ARG QD 1 30 PHE QE . . 5.440 3.620 2.899 4.276 . 0 0 "[ . 1 . 2]" 1
459 1 29 ARG QD 1 30 PHE HZ . . 5.400 4.778 4.162 5.400 . 0 0 "[ . 1 . 2]" 1
460 1 29 ARG HG2 1 30 PHE H . . 3.780 2.517 2.068 3.408 . 0 0 "[ . 1 . 2]" 1
461 1 29 ARG HG2 1 30 PHE QD . . 4.980 3.195 2.302 4.270 . 0 0 "[ . 1 . 2]" 1
462 1 29 ARG HG2 1 30 PHE QE . . 5.500 4.260 3.126 4.991 . 0 0 "[ . 1 . 2]" 1
463 1 29 ARG HG3 1 30 PHE H . . 3.770 2.407 2.128 2.753 . 0 0 "[ . 1 . 2]" 1
464 1 29 ARG HG3 1 30 PHE QD . . 4.900 3.191 2.613 3.738 . 0 0 "[ . 1 . 2]" 1
465 1 29 ARG HG3 1 30 PHE QE . . 5.500 4.064 3.562 4.519 . 0 0 "[ . 1 . 2]" 1
466 1 29 ARG HG3 1 30 PHE HZ . . 5.500 5.296 4.831 5.497 . 0 0 "[ . 1 . 2]" 1
467 1 30 PHE H 1 30 PHE HB2 . . 3.630 2.254 2.187 2.329 . 0 0 "[ . 1 . 2]" 1
468 1 30 PHE H 1 30 PHE QB . . 3.070 2.230 2.166 2.300 . 0 0 "[ . 1 . 2]" 1
469 1 30 PHE H 1 30 PHE HB3 . . 3.630 3.531 3.487 3.562 . 0 0 "[ . 1 . 2]" 1
470 1 30 PHE H 1 30 PHE QD . . 3.360 2.754 1.971 3.347 . 0 0 "[ . 1 . 2]" 1
471 1 30 PHE H 1 31 VAL HB . . 5.100 4.917 4.623 5.091 . 0 0 "[ . 1 . 2]" 1
472 1 30 PHE H 1 31 VAL MG2 . . 4.090 3.858 3.479 4.092 0.002 15 0 "[ . 1 . 2]" 1
473 1 30 PHE H 1 32 ILE H . . 4.310 4.126 3.945 4.287 . 0 0 "[ . 1 . 2]" 1
474 1 30 PHE H 1 81 ILE MG . . 5.060 4.880 4.614 5.058 . 0 0 "[ . 1 . 2]" 1
475 1 30 PHE HA 1 30 PHE QD . . 3.590 2.664 2.036 3.092 . 0 0 "[ . 1 . 2]" 1
476 1 30 PHE HA 1 32 ILE H . . 4.690 4.362 3.992 4.542 . 0 0 "[ . 1 . 2]" 1
477 1 30 PHE HA 1 33 GLY H . . 3.940 3.761 3.550 3.907 . 0 0 "[ . 1 . 2]" 1
478 1 30 PHE QB 1 31 VAL H . . 3.830 3.004 2.785 3.236 . 0 0 "[ . 1 . 2]" 1
479 1 30 PHE QB 1 31 VAL MG2 . . 4.260 3.121 2.979 3.214 . 0 0 "[ . 1 . 2]" 1
480 1 30 PHE QB 1 81 ILE MD . . 5.340 3.887 3.289 4.226 . 0 0 "[ . 1 . 2]" 1
481 1 30 PHE QB 1 85 GLN HE21 . . 4.570 3.646 3.403 3.999 . 0 0 "[ . 1 . 2]" 1
482 1 30 PHE QB 1 85 GLN HE22 . . 4.620 4.521 4.278 4.623 0.003 2 0 "[ . 1 . 2]" 1
483 1 30 PHE HB2 1 31 VAL H . . 4.430 3.162 2.889 3.407 . 0 0 "[ . 1 . 2]" 1
484 1 30 PHE HB2 1 31 VAL MG2 . . 4.910 3.327 3.134 3.455 . 0 0 "[ . 1 . 2]" 1
485 1 30 PHE HB2 1 81 ILE MG . . 3.610 3.060 2.747 3.362 . 0 0 "[ . 1 . 2]" 1
486 1 30 PHE HB2 1 85 GLN HE21 . . 5.280 4.502 4.217 5.014 . 0 0 "[ . 1 . 2]" 1
487 1 30 PHE HB3 1 31 VAL H . . 4.430 3.756 3.552 4.033 . 0 0 "[ . 1 . 2]" 1
488 1 30 PHE HB3 1 31 VAL MG2 . . 4.910 3.786 3.642 3.913 . 0 0 "[ . 1 . 2]" 1
489 1 30 PHE HB3 1 81 ILE MG . . 3.610 2.233 2.011 2.473 . 0 0 "[ . 1 . 2]" 1
490 1 30 PHE HB3 1 85 GLN HE21 . . 5.280 3.859 3.577 4.202 . 0 0 "[ . 1 . 2]" 1
491 1 30 PHE QD 1 31 VAL MG2 . . 5.500 4.838 4.635 4.944 . 0 0 "[ . 1 . 2]" 1
492 1 30 PHE QD 1 81 ILE MD . . 5.500 5.228 4.806 5.498 . 0 0 "[ . 1 . 2]" 1
493 1 30 PHE QD 1 81 ILE MG . . 4.570 3.374 3.004 3.811 . 0 0 "[ . 1 . 2]" 1
494 1 30 PHE QD 1 85 GLN HG2 . . 5.120 4.699 4.188 5.064 . 0 0 "[ . 1 . 2]" 1
495 1 30 PHE QD 1 85 GLN HG3 . . 4.740 3.565 3.072 4.010 . 0 0 "[ . 1 . 2]" 1
496 1 30 PHE QE 1 85 GLN HG2 . . 5.500 5.172 4.714 5.499 . 0 0 "[ . 1 . 2]" 1
497 1 30 PHE QE 1 85 GLN HG3 . . 5.500 4.021 3.779 4.311 . 0 0 "[ . 1 . 2]" 1
498 1 31 VAL H 1 31 VAL HB . . 3.120 2.542 2.461 2.677 . 0 0 "[ . 1 . 2]" 1
499 1 31 VAL H 1 31 VAL MG1 . . 3.930 3.793 3.764 3.847 . 0 0 "[ . 1 . 2]" 1
500 1 31 VAL H 1 31 VAL MG2 . . 3.120 2.263 2.124 2.480 . 0 0 "[ . 1 . 2]" 1
501 1 31 VAL H 1 32 ILE H . . 3.030 2.293 2.076 2.468 . 0 0 "[ . 1 . 2]" 1
502 1 31 VAL H 1 32 ILE HB . . 4.830 4.546 4.352 4.709 . 0 0 "[ . 1 . 2]" 1
503 1 31 VAL H 1 52 ILE MD . . 5.140 4.736 4.375 5.069 . 0 0 "[ . 1 . 2]" 1
504 1 31 VAL HA 1 31 VAL MG1 . . 3.140 2.364 2.253 2.470 . 0 0 "[ . 1 . 2]" 1
505 1 31 VAL HA 1 31 VAL MG2 . . 3.150 2.433 2.370 2.524 . 0 0 "[ . 1 . 2]" 1
506 1 31 VAL HA 1 38 LYS HG2 . . 4.730 3.291 2.453 4.731 0.001 13 0 "[ . 1 . 2]" 1
507 1 31 VAL HA 1 38 LYS QG . . 4.070 2.787 2.398 3.205 . 0 0 "[ . 1 . 2]" 1
508 1 31 VAL HA 1 38 LYS HG3 . . 4.730 3.417 2.796 3.999 . 0 0 "[ . 1 . 2]" 1
509 1 31 VAL HA 1 81 ILE MD . . 3.330 3.190 2.919 3.330 0.000 15 0 "[ . 1 . 2]" 1
510 1 31 VAL HB 1 32 ILE H . . 3.470 2.833 2.687 3.178 . 0 0 "[ . 1 . 2]" 1
511 1 31 VAL HB 1 32 ILE HG12 . . 4.790 4.537 4.211 4.673 . 0 0 "[ . 1 . 2]" 1
512 1 31 VAL HB 1 52 ILE MD . . 3.560 3.109 2.727 3.508 . 0 0 "[ . 1 . 2]" 1
513 1 31 VAL HB 1 62 ILE MD . . 4.450 3.014 2.833 3.220 . 0 0 "[ . 1 . 2]" 1
514 1 31 VAL MG1 1 32 ILE H . . 4.010 3.676 3.481 3.978 . 0 0 "[ . 1 . 2]" 1
515 1 31 VAL MG1 1 32 ILE HA . . 4.690 3.660 3.403 3.980 . 0 0 "[ . 1 . 2]" 1
516 1 31 VAL MG1 1 39 LEU HA . . 3.550 3.449 3.214 3.549 . 0 0 "[ . 1 . 2]" 1
517 1 31 VAL MG1 1 50 ILE MG . . 3.390 3.118 2.931 3.355 . 0 0 "[ . 1 . 2]" 1
518 1 31 VAL MG1 1 52 ILE MD . . 3.080 2.957 2.607 3.080 . 9 0 "[ . 1 . 2]" 1
519 1 31 VAL MG1 1 62 ILE MD . . 3.290 2.426 2.039 2.720 . 0 0 "[ . 1 . 2]" 1
520 1 31 VAL MG2 1 32 ILE H . . 3.940 3.849 3.738 3.938 . 0 0 "[ . 1 . 2]" 1
521 1 31 VAL MG2 1 62 ILE MD . . 3.530 2.445 2.233 2.698 . 0 0 "[ . 1 . 2]" 1
522 1 31 VAL MG2 1 78 VAL HA . . 3.240 2.941 2.818 3.163 . 0 0 "[ . 1 . 2]" 1
523 1 31 VAL MG2 1 81 ILE HB . . 4.530 3.530 3.199 3.722 . 0 0 "[ . 1 . 2]" 1
524 1 32 ILE H 1 32 ILE HB . . 2.900 2.510 2.451 2.617 . 0 0 "[ . 1 . 2]" 1
525 1 32 ILE H 1 32 ILE MD . . 3.590 3.463 3.193 3.590 . 0 0 "[ . 1 . 2]" 1
526 1 32 ILE H 1 32 ILE HG12 . . 3.690 3.611 3.387 3.691 0.001 13 0 "[ . 1 . 2]" 1
527 1 32 ILE H 1 32 ILE HG13 . . 3.550 2.229 2.023 2.354 . 0 0 "[ . 1 . 2]" 1
528 1 32 ILE H 1 32 ILE MG . . 3.970 3.771 3.755 3.819 . 0 0 "[ . 1 . 2]" 1
529 1 32 ILE H 1 33 GLY H . . 3.330 2.509 2.196 2.624 . 0 0 "[ . 1 . 2]" 1
530 1 32 ILE H 1 52 ILE MD . . 4.150 3.774 3.562 4.067 . 0 0 "[ . 1 . 2]" 1
531 1 32 ILE HA 1 32 ILE MD . . 4.150 3.871 3.839 3.920 . 0 0 "[ . 1 . 2]" 1
532 1 32 ILE HA 1 32 ILE HG12 . . 4.150 2.649 2.557 2.829 . 0 0 "[ . 1 . 2]" 1
533 1 32 ILE HA 1 32 ILE HG13 . . 3.790 2.877 2.775 3.005 . 0 0 "[ . 1 . 2]" 1
534 1 32 ILE HA 1 32 ILE MG . . 3.500 2.372 2.275 2.449 . 0 0 "[ . 1 . 2]" 1
535 1 32 ILE HA 1 39 LEU H . . 3.580 2.770 2.183 3.168 . 0 0 "[ . 1 . 2]" 1
536 1 32 ILE HA 1 39 LEU HB2 . . 3.200 2.038 1.997 2.167 . 0 0 "[ . 1 . 2]" 1
537 1 32 ILE HA 1 39 LEU HB3 . . 3.650 2.532 2.187 2.699 . 0 0 "[ . 1 . 2]" 1
538 1 32 ILE HA 1 39 LEU MD1 . . 4.100 3.896 3.723 4.097 . 0 0 "[ . 1 . 2]" 1
539 1 32 ILE HA 1 39 LEU MD2 . . 3.690 3.367 3.182 3.668 . 0 0 "[ . 1 . 2]" 1
540 1 32 ILE HA 1 39 LEU HG . . 4.870 4.744 4.523 4.870 . 0 0 "[ . 1 . 2]" 1
541 1 32 ILE HA 1 40 GLN H . . 4.950 4.842 4.351 4.953 0.003 2 0 "[ . 1 . 2]" 1
542 1 32 ILE HA 1 52 ILE MD . . 4.370 3.441 3.239 3.901 . 0 0 "[ . 1 . 2]" 1
543 1 32 ILE HB 1 32 ILE MD . . 2.930 2.269 2.209 2.422 . 0 0 "[ . 1 . 2]" 1
544 1 32 ILE HB 1 33 GLY H . . 3.110 2.632 2.488 2.822 . 0 0 "[ . 1 . 2]" 1
545 1 32 ILE HB 1 33 GLY HA2 . . 4.930 4.882 4.827 4.916 . 0 0 "[ . 1 . 2]" 1
546 1 32 ILE HB 1 33 GLY QA . . 4.270 4.228 4.181 4.270 . 11 0 "[ . 1 . 2]" 1
547 1 32 ILE HB 1 33 GLY HA3 . . 4.930 4.633 4.555 4.689 . 0 0 "[ . 1 . 2]" 1
548 1 32 ILE MD 1 32 ILE MG . . 3.010 2.154 1.933 2.295 . 0 0 "[ . 1 . 2]" 1
549 1 32 ILE MD 1 33 GLY H . . 4.500 4.443 4.327 4.500 0.000 13 0 "[ . 1 . 2]" 1
550 1 32 ILE MD 1 52 ILE MD . . 2.950 2.212 1.987 2.554 . 0 0 "[ . 1 . 2]" 1
551 1 32 ILE MD 1 52 ILE MG . . 3.210 2.565 2.428 2.668 . 0 0 "[ . 1 . 2]" 1
552 1 32 ILE HG12 1 33 GLY H . . 5.270 5.043 4.971 5.158 . 0 0 "[ . 1 . 2]" 1
553 1 32 ILE HG12 1 39 LEU HB3 . . 4.080 4.002 3.492 4.086 0.006 18 0 "[ . 1 . 2]" 1
554 1 32 ILE HG12 1 39 LEU MD2 . . 3.140 2.944 2.722 3.094 . 0 0 "[ . 1 . 2]" 1
555 1 32 ILE HG12 1 52 ILE MD . . 3.300 1.963 1.873 2.162 . 0 0 "[ . 1 . 2]" 1
556 1 32 ILE HG12 1 52 ILE HG13 . . 4.560 4.506 4.379 4.559 . 0 0 "[ . 1 . 2]" 1
557 1 32 ILE HG12 1 52 ILE MG . . 4.090 3.948 3.618 4.091 0.001 4 0 "[ . 1 . 2]" 1
558 1 32 ILE HG13 1 33 GLY H . . 4.770 4.228 4.091 4.299 . 0 0 "[ . 1 . 2]" 1
559 1 32 ILE HG13 1 52 ILE MD . . 3.240 2.176 1.995 2.451 . 0 0 "[ . 1 . 2]" 1
560 1 32 ILE MG 1 33 GLY H . . 3.820 3.453 3.251 3.796 . 0 0 "[ . 1 . 2]" 1
561 1 32 ILE MG 1 36 GLY H . . 3.950 3.865 3.502 3.951 0.001 19 0 "[ . 1 . 2]" 1
562 1 32 ILE MG 1 36 GLY HA2 . . 3.480 2.014 1.947 2.140 . 0 0 "[ . 1 . 2]" 1
563 1 32 ILE MG 1 36 GLY QA . . 3.020 1.993 1.927 2.114 . 0 0 "[ . 1 . 2]" 1
564 1 32 ILE MG 1 36 GLY HA3 . . 3.480 3.181 3.064 3.337 . 0 0 "[ . 1 . 2]" 1
565 1 32 ILE MG 1 38 LYS H . . 4.940 4.444 3.958 4.763 . 0 0 "[ . 1 . 2]" 1
566 1 32 ILE MG 1 39 LEU H . . 4.550 3.590 3.055 3.802 . 0 0 "[ . 1 . 2]" 1
567 1 32 ILE MG 1 39 LEU HB2 . . 5.000 3.301 2.980 3.538 . 0 0 "[ . 1 . 2]" 1
568 1 32 ILE MG 1 39 LEU HB3 . . 4.310 2.739 2.494 2.981 . 0 0 "[ . 1 . 2]" 1
569 1 33 GLY H 1 34 LYS H . . 5.270 4.243 3.854 4.437 . 0 0 "[ . 1 . 2]" 1
570 1 33 GLY H 1 38 LYS HG2 . . 5.240 4.448 3.960 5.241 0.001 13 0 "[ . 1 . 2]" 1
571 1 33 GLY H 1 38 LYS QG . . 4.600 4.004 3.678 4.220 . 0 0 "[ . 1 . 2]" 1
572 1 33 GLY H 1 38 LYS HG3 . . 5.240 4.897 3.794 5.242 0.002 2 0 "[ . 1 . 2]" 1
573 1 33 GLY QA 1 38 LYS H . . 3.080 2.060 1.940 2.204 . 0 0 "[ . 1 . 2]" 1
574 1 33 GLY QA 1 39 LEU H . . 4.140 3.626 3.341 4.001 . 0 0 "[ . 1 . 2]" 1
575 1 33 GLY HA2 1 38 LYS H . . 3.620 3.357 3.204 3.608 . 0 0 "[ . 1 . 2]" 1
576 1 33 GLY HA2 1 38 LYS HB2 . . 4.160 2.393 2.000 2.841 . 0 0 "[ . 1 . 2]" 1
577 1 33 GLY HA2 1 38 LYS HB3 . . 4.200 2.825 2.428 3.437 . 0 0 "[ . 1 . 2]" 1
578 1 33 GLY HA3 1 38 LYS H . . 3.620 2.080 1.955 2.234 . 0 0 "[ . 1 . 2]" 1
579 1 33 GLY HA3 1 38 LYS HB2 . . 4.160 2.637 2.141 3.176 . 0 0 "[ . 1 . 2]" 1
580 1 33 GLY HA3 1 38 LYS HB3 . . 4.200 2.716 2.256 3.282 . 0 0 "[ . 1 . 2]" 1
581 1 34 LYS HA 1 34 LYS QD . . 4.590 3.392 2.043 4.407 . 0 0 "[ . 1 . 2]" 1
582 1 34 LYS HA 1 34 LYS HG2 . . 4.220 3.225 2.219 3.853 . 0 0 "[ . 1 . 2]" 1
583 1 34 LYS HA 1 34 LYS QG . . 3.460 2.704 2.152 3.342 . 0 0 "[ . 1 . 2]" 1
584 1 34 LYS HA 1 34 LYS HG3 . . 4.220 3.169 2.173 3.931 . 0 0 "[ . 1 . 2]" 1
585 1 34 LYS QB 1 34 LYS QE . . 4.400 2.925 1.969 3.777 . 0 0 "[ . 1 . 2]" 1
586 1 34 LYS QB 1 35 ASN QD . . 4.980 2.886 2.316 4.414 . 0 0 "[ . 1 . 2]" 1
587 1 34 LYS QD 1 35 ASN QD . . 5.180 3.681 1.822 5.170 . 0 0 "[ . 1 . 2]" 1
588 1 34 LYS QE 1 35 ASN QD . . 4.640 3.720 2.143 4.639 . 0 0 "[ . 1 . 2]" 1
589 1 34 LYS QG 1 35 ASN QD . . 4.030 3.065 1.811 4.029 . 0 0 "[ . 1 . 2]" 1
590 1 35 ASN QB 1 35 ASN QD . . 3.020 2.263 2.063 2.718 . 0 0 "[ . 1 . 2]" 1
591 1 35 ASN QB 1 37 GLU QB . . 5.180 4.630 3.757 5.179 . 0 0 "[ . 1 . 2]" 1
592 1 35 ASN QB 1 37 GLU QG . . 4.130 3.102 2.705 4.111 . 0 0 "[ . 1 . 2]" 1
593 1 35 ASN HB2 1 37 GLU QG . . 4.810 3.183 2.737 4.482 . 0 0 "[ . 1 . 2]" 1
594 1 35 ASN HB3 1 37 GLU QG . . 4.810 4.435 3.427 4.782 . 0 0 "[ . 1 . 2]" 1
595 1 35 ASN QD 1 37 GLU QG . . 5.260 4.300 2.957 5.173 . 0 0 "[ . 1 . 2]" 1
596 1 36 GLY H 1 38 LYS H . . 4.090 3.820 3.549 4.083 . 0 0 "[ . 1 . 2]" 1
597 1 37 GLU HA 1 40 GLN H . . 3.900 3.369 2.819 3.748 . 0 0 "[ . 1 . 2]" 1
598 1 37 GLU HA 1 40 GLN QB . . 3.390 2.956 2.517 3.385 . 0 0 "[ . 1 . 2]" 1
599 1 37 GLU HA 1 40 GLN HG2 . . 4.780 2.695 2.022 4.085 . 0 0 "[ . 1 . 2]" 1
600 1 37 GLU HA 1 40 GLN QG . . 4.020 2.209 2.013 2.432 . 0 0 "[ . 1 . 2]" 1
601 1 37 GLU HA 1 40 GLN HG3 . . 4.780 3.094 2.023 4.065 . 0 0 "[ . 1 . 2]" 1
602 1 37 GLU HA 1 41 ASP H . . 4.400 4.044 3.585 4.400 0.000 4 0 "[ . 1 . 2]" 1
603 1 37 GLU QB 1 38 LYS H . . 3.800 3.044 2.345 3.808 0.008 16 0 "[ . 1 . 2]" 1
604 1 37 GLU QB 1 38 LYS HA . . 5.020 4.015 3.700 4.489 . 0 0 "[ . 1 . 2]" 1
605 1 37 GLU QB 1 39 LEU H . . 5.500 5.067 4.425 5.491 . 0 0 "[ . 1 . 2]" 1
606 1 37 GLU QG 1 38 LYS H . . 4.590 3.269 2.261 3.738 . 0 0 "[ . 1 . 2]" 1
607 1 37 GLU QG 1 38 LYS HA . . 5.500 4.808 3.431 5.508 0.008 20 0 "[ . 1 . 2]" 1
608 1 38 LYS H 1 38 LYS HB2 . . 3.150 2.456 2.170 2.759 . 0 0 "[ . 1 . 2]" 1
609 1 38 LYS H 1 38 LYS HB3 . . 3.110 2.644 2.351 3.081 . 0 0 "[ . 1 . 2]" 1
610 1 38 LYS H 1 38 LYS QD . . 4.500 4.185 3.932 4.350 . 0 0 "[ . 1 . 2]" 1
611 1 38 LYS H 1 38 LYS QG . . 4.460 3.973 3.728 4.082 . 0 0 "[ . 1 . 2]" 1
612 1 38 LYS H 1 40 GLN H . . 4.320 4.225 3.999 4.359 0.039 13 0 "[ . 1 . 2]" 1
613 1 38 LYS HA 1 38 LYS HD2 . . 3.830 2.591 2.004 3.580 . 0 0 "[ . 1 . 2]" 1
614 1 38 LYS HA 1 38 LYS HD3 . . 3.830 2.933 2.018 3.669 . 0 0 "[ . 1 . 2]" 1
615 1 38 LYS HA 1 38 LYS QE . . 4.390 4.038 3.483 4.327 . 0 0 "[ . 1 . 2]" 1
616 1 38 LYS HA 1 38 LYS HG2 . . 4.120 3.497 2.464 3.862 . 0 0 "[ . 1 . 2]" 1
617 1 38 LYS HA 1 38 LYS QG . . 3.540 2.804 2.427 3.048 . 0 0 "[ . 1 . 2]" 1
618 1 38 LYS HA 1 38 LYS HG3 . . 4.120 3.169 2.805 3.680 . 0 0 "[ . 1 . 2]" 1
619 1 38 LYS HA 1 40 GLN H . . 4.970 4.596 4.394 4.791 . 0 0 "[ . 1 . 2]" 1
620 1 38 LYS HA 1 40 GLN QG . . 5.340 5.049 4.512 5.339 . 0 0 "[ . 1 . 2]" 1
621 1 38 LYS HA 1 41 ASP H . . 3.930 3.793 3.644 3.926 . 0 0 "[ . 1 . 2]" 1
622 1 38 LYS HA 1 41 ASP HB2 . . 3.910 3.733 3.562 3.910 . 0 0 "[ . 1 . 2]" 1
623 1 38 LYS HA 1 41 ASP HB3 . . 3.810 3.442 3.173 3.692 . 0 0 "[ . 1 . 2]" 1
624 1 38 LYS HA 1 42 LEU H . . 4.560 4.216 3.999 4.493 . 0 0 "[ . 1 . 2]" 1
625 1 38 LYS HB2 1 39 LEU H . . 4.210 3.729 3.310 4.054 . 0 0 "[ . 1 . 2]" 1
626 1 38 LYS HB3 1 39 LEU H . . 4.280 2.469 2.009 3.001 . 0 0 "[ . 1 . 2]" 1
627 1 38 LYS HB3 1 39 LEU HA . . 4.410 4.207 3.841 4.377 . 0 0 "[ . 1 . 2]" 1
628 1 38 LYS QE 1 38 LYS QG . . 2.680 2.216 2.062 2.359 . 0 0 "[ . 1 . 2]" 1
629 1 38 LYS QE 1 42 LEU MD2 . . 4.300 3.378 2.828 4.271 . 0 0 "[ . 1 . 2]" 1
630 1 38 LYS QE 1 42 LEU HG . . 4.160 2.991 2.029 4.164 0.004 18 0 "[ . 1 . 2]" 1
631 1 38 LYS HE2 1 38 LYS HG2 . . 4.090 3.041 2.103 3.747 . 0 0 "[ . 1 . 2]" 1
632 1 38 LYS HE2 1 38 LYS HG3 . . 4.090 3.114 2.275 3.756 . 0 0 "[ . 1 . 2]" 1
633 1 38 LYS HE2 1 81 ILE MD . . 3.930 2.829 1.935 3.795 . 0 0 "[ . 1 . 2]" 1
634 1 38 LYS HE3 1 38 LYS HG2 . . 4.090 3.107 2.438 3.820 . 0 0 "[ . 1 . 2]" 1
635 1 38 LYS HE3 1 38 LYS HG3 . . 4.090 3.060 2.263 4.091 0.001 9 0 "[ . 1 . 2]" 1
636 1 38 LYS HE3 1 81 ILE MD . . 3.930 2.988 1.950 3.893 . 0 0 "[ . 1 . 2]" 1
637 1 38 LYS QG 1 39 LEU H . . 4.460 3.618 2.741 4.496 0.036 13 0 "[ . 1 . 2]" 1
638 1 38 LYS HG2 1 39 LEU H . . 5.210 4.528 3.782 5.068 . 0 0 "[ . 1 . 2]" 1
639 1 38 LYS HG3 1 39 LEU H . . 5.210 3.827 2.814 5.025 . 0 0 "[ . 1 . 2]" 1
640 1 39 LEU H 1 39 LEU HB2 . . 3.030 2.878 2.708 3.031 0.001 2 0 "[ . 1 . 2]" 1
641 1 39 LEU H 1 39 LEU HB3 . . 3.200 2.235 2.169 2.344 . 0 0 "[ . 1 . 2]" 1
642 1 39 LEU H 1 39 LEU MD1 . . 4.470 4.288 4.197 4.370 . 0 0 "[ . 1 . 2]" 1
643 1 39 LEU H 1 39 LEU HG . . 4.660 4.222 4.097 4.368 . 0 0 "[ . 1 . 2]" 1
644 1 39 LEU H 1 40 GLN H . . 3.360 2.698 2.339 2.992 . 0 0 "[ . 1 . 2]" 1
645 1 39 LEU H 1 40 GLN QB . . 5.500 4.714 4.249 5.107 . 0 0 "[ . 1 . 2]" 1
646 1 39 LEU H 1 40 GLN QG . . 5.040 4.208 4.025 4.543 . 0 0 "[ . 1 . 2]" 1
647 1 39 LEU HA 1 39 LEU MD1 . . 3.070 2.408 2.269 2.586 . 0 0 "[ . 1 . 2]" 1
648 1 39 LEU HA 1 39 LEU MD2 . . 4.410 4.019 3.992 4.033 . 0 0 "[ . 1 . 2]" 1
649 1 39 LEU HA 1 39 LEU HG . . 3.730 3.316 3.194 3.401 . 0 0 "[ . 1 . 2]" 1
650 1 39 LEU HA 1 42 LEU H . . 3.600 3.499 3.266 3.601 0.001 20 0 "[ . 1 . 2]" 1
651 1 39 LEU HA 1 42 LEU HB2 . . 3.440 2.477 2.275 2.573 . 0 0 "[ . 1 . 2]" 1
652 1 39 LEU HA 1 42 LEU HB3 . . 4.060 3.947 3.719 4.062 0.002 13 0 "[ . 1 . 2]" 1
653 1 39 LEU HA 1 42 LEU MD1 . . 3.320 2.819 2.577 3.152 . 0 0 "[ . 1 . 2]" 1
654 1 39 LEU HA 1 42 LEU HG . . 4.390 4.137 3.822 4.278 . 0 0 "[ . 1 . 2]" 1
655 1 39 LEU HA 1 43 GLU H . . 4.120 3.863 3.732 4.023 . 0 0 "[ . 1 . 2]" 1
656 1 39 LEU HA 1 50 ILE MD . . 4.400 3.280 3.061 3.540 . 0 0 "[ . 1 . 2]" 1
657 1 39 LEU HB2 1 39 LEU MD1 . . 3.450 2.262 2.122 2.332 . 0 0 "[ . 1 . 2]" 1
658 1 39 LEU HB2 1 39 LEU MD2 . . 3.420 2.503 2.401 2.573 . 0 0 "[ . 1 . 2]" 1
659 1 39 LEU HB2 1 40 GLN H . . 4.020 4.010 3.966 4.056 0.036 18 0 "[ . 1 . 2]" 1
660 1 39 LEU HB3 1 39 LEU MD1 . . 3.610 3.173 3.147 3.184 . 0 0 "[ . 1 . 2]" 1
661 1 39 LEU HB3 1 39 LEU MD2 . . 3.400 2.199 2.115 2.307 . 0 0 "[ . 1 . 2]" 1
662 1 39 LEU HB3 1 40 GLN H . . 3.350 2.691 2.639 2.753 . 0 0 "[ . 1 . 2]" 1
663 1 39 LEU MD1 1 42 LEU HB2 . . 4.220 3.527 3.170 3.816 . 0 0 "[ . 1 . 2]" 1
664 1 39 LEU MD1 1 43 GLU H . . 4.320 3.532 3.126 3.912 . 0 0 "[ . 1 . 2]" 1
665 1 39 LEU MD1 1 43 GLU HG2 . . 4.260 3.314 3.165 3.656 . 0 0 "[ . 1 . 2]" 1
666 1 39 LEU MD1 1 43 GLU HG3 . . 3.960 2.110 1.946 2.547 . 0 0 "[ . 1 . 2]" 1
667 1 39 LEU MD1 1 50 ILE H . . 3.960 3.704 3.624 3.824 . 0 0 "[ . 1 . 2]" 1
668 1 39 LEU MD1 1 50 ILE HB . . 3.100 1.985 1.895 2.152 . 0 0 "[ . 1 . 2]" 1
669 1 39 LEU MD1 1 50 ILE MD . . 3.180 1.934 1.822 2.152 . 0 0 "[ . 1 . 2]" 1
670 1 39 LEU MD1 1 50 ILE MG . . 3.120 2.128 1.910 2.529 . 0 0 "[ . 1 . 2]" 1
671 1 39 LEU MD1 1 52 ILE MD . . 3.250 2.739 2.341 3.054 . 0 0 "[ . 1 . 2]" 1
672 1 39 LEU MD1 1 52 ILE HG13 . . 4.120 3.523 2.983 3.882 . 0 0 "[ . 1 . 2]" 1
673 1 39 LEU MD2 1 40 GLN H . . 4.180 3.800 3.679 4.014 . 0 0 "[ . 1 . 2]" 1
674 1 39 LEU MD2 1 52 ILE MD . . 3.210 2.643 2.262 3.062 . 0 0 "[ . 1 . 2]" 1
675 1 39 LEU HG 1 40 GLN H . . 4.100 3.079 2.880 3.306 . 0 0 "[ . 1 . 2]" 1
676 1 39 LEU HG 1 40 GLN HA . . 4.760 3.080 2.969 3.218 . 0 0 "[ . 1 . 2]" 1
677 1 39 LEU HG 1 43 GLU H . . 4.720 4.265 3.986 4.459 . 0 0 "[ . 1 . 2]" 1
678 1 39 LEU HG 1 43 GLU HG2 . . 5.220 4.919 4.506 5.196 . 0 0 "[ . 1 . 2]" 1
679 1 39 LEU HG 1 43 GLU HG3 . . 4.450 3.405 3.021 3.730 . 0 0 "[ . 1 . 2]" 1
680 1 40 GLN H 1 40 GLN QB . . 2.860 2.439 2.163 2.674 . 0 0 "[ . 1 . 2]" 1
681 1 40 GLN H 1 40 GLN HG2 . . 4.270 2.486 1.901 2.896 . 0 0 "[ . 1 . 2]" 1
682 1 40 GLN H 1 40 GLN QG . . 3.540 2.307 1.892 2.832 . 0 0 "[ . 1 . 2]" 1
683 1 40 GLN H 1 40 GLN HG3 . . 4.270 3.314 2.073 4.006 . 0 0 "[ . 1 . 2]" 1
684 1 40 GLN H 1 41 ASP H . . 3.570 2.829 2.626 3.049 . 0 0 "[ . 1 . 2]" 1
685 1 40 GLN H 1 41 ASP HB2 . . 5.230 4.947 4.703 5.172 . 0 0 "[ . 1 . 2]" 1
686 1 40 GLN H 1 42 LEU H . . 4.450 4.143 4.016 4.307 . 0 0 "[ . 1 . 2]" 1
687 1 40 GLN H 1 43 GLU H . . 5.210 4.836 4.729 4.968 . 0 0 "[ . 1 . 2]" 1
688 1 40 GLN HA 1 40 GLN HG2 . . 4.080 3.340 2.539 3.845 . 0 0 "[ . 1 . 2]" 1
689 1 40 GLN HA 1 40 GLN HG3 . . 4.080 3.609 3.453 3.795 . 0 0 "[ . 1 . 2]" 1
690 1 40 GLN HA 1 42 LEU H . . 4.890 4.457 4.218 4.648 . 0 0 "[ . 1 . 2]" 1
691 1 40 GLN HA 1 43 GLU H . . 4.220 3.770 3.593 3.960 . 0 0 "[ . 1 . 2]" 1
692 1 40 GLN HA 1 43 GLU QB . . 4.610 2.875 2.677 3.127 . 0 0 "[ . 1 . 2]" 1
693 1 40 GLN HA 1 43 GLU HG3 . . 5.080 4.283 4.078 4.475 . 0 0 "[ . 1 . 2]" 1
694 1 40 GLN HA 1 44 LEU H . . 4.850 4.522 4.340 4.695 . 0 0 "[ . 1 . 2]" 1
695 1 40 GLN QB 1 41 ASP H . . 3.440 2.711 2.074 3.445 0.005 18 0 "[ . 1 . 2]" 1
696 1 40 GLN QB 1 41 ASP HA . . 5.290 4.143 3.745 4.638 . 0 0 "[ . 1 . 2]" 1
697 1 40 GLN QB 1 41 ASP HB2 . . 5.500 4.287 3.735 4.922 . 0 0 "[ . 1 . 2]" 1
698 1 40 GLN QB 1 44 LEU MD1 . . 4.720 3.788 3.422 4.327 . 0 0 "[ . 1 . 2]" 1
699 1 40 GLN QB 1 44 LEU HG . . 5.050 4.751 4.536 5.009 . 0 0 "[ . 1 . 2]" 1
700 1 40 GLN QE 1 44 LEU MD1 . . 4.410 4.030 3.097 4.409 . 0 0 "[ . 1 . 2]" 1
701 1 40 GLN QG 1 41 ASP H . . 4.260 2.974 1.924 3.729 . 0 0 "[ . 1 . 2]" 1
702 1 40 GLN HG2 1 41 ASP H . . 4.950 3.305 2.016 4.579 . 0 0 "[ . 1 . 2]" 1
703 1 40 GLN HG3 1 41 ASP H . . 4.950 3.556 2.435 4.655 . 0 0 "[ . 1 . 2]" 1
704 1 41 ASP H 1 41 ASP HB2 . . 3.050 2.290 2.226 2.346 . 0 0 "[ . 1 . 2]" 1
705 1 41 ASP H 1 41 ASP HB3 . . 3.060 2.821 2.748 2.883 . 0 0 "[ . 1 . 2]" 1
706 1 41 ASP H 1 42 LEU H . . 3.370 2.682 2.396 2.879 . 0 0 "[ . 1 . 2]" 1
707 1 41 ASP H 1 43 GLU H . . 4.700 4.450 4.231 4.654 . 0 0 "[ . 1 . 2]" 1
708 1 41 ASP H 1 44 LEU H . . 5.220 4.950 4.877 5.049 . 0 0 "[ . 1 . 2]" 1
709 1 41 ASP HA 1 43 GLU H . . 5.160 4.803 4.681 4.925 . 0 0 "[ . 1 . 2]" 1
710 1 41 ASP HA 1 44 LEU H . . 3.880 3.665 3.548 3.800 . 0 0 "[ . 1 . 2]" 1
711 1 41 ASP HA 1 44 LEU HB2 . . 3.990 2.852 2.686 2.948 . 0 0 "[ . 1 . 2]" 1
712 1 41 ASP HA 1 44 LEU HB3 . . 4.520 4.413 4.188 4.498 . 0 0 "[ . 1 . 2]" 1
713 1 41 ASP HA 1 44 LEU MD1 . . 4.020 2.973 2.619 3.357 . 0 0 "[ . 1 . 2]" 1
714 1 41 ASP HA 1 44 LEU HG . . 4.530 4.376 4.099 4.517 . 0 0 "[ . 1 . 2]" 1
715 1 41 ASP HA 1 45 LYS H . . 4.330 3.799 3.654 3.986 . 0 0 "[ . 1 . 2]" 1
716 1 41 ASP HB2 1 42 LEU H . . 3.750 3.678 3.596 3.750 0.000 11 0 "[ . 1 . 2]" 1
717 1 41 ASP HB3 1 42 LEU H . . 3.490 2.638 2.437 2.880 . 0 0 "[ . 1 . 2]" 1
718 1 41 ASP HB3 1 42 LEU HG . . 4.950 3.838 3.764 3.913 . 0 0 "[ . 1 . 2]" 1
719 1 42 LEU H 1 42 LEU HB2 . . 3.250 2.178 2.160 2.206 . 0 0 "[ . 1 . 2]" 1
720 1 42 LEU H 1 42 LEU HB3 . . 3.720 3.490 3.477 3.508 . 0 0 "[ . 1 . 2]" 1
721 1 42 LEU H 1 42 LEU MD1 . . 4.060 3.737 3.535 3.870 . 0 0 "[ . 1 . 2]" 1
722 1 42 LEU H 1 42 LEU MD2 . . 4.100 3.911 3.775 4.068 . 0 0 "[ . 1 . 2]" 1
723 1 42 LEU H 1 42 LEU HG . . 3.510 2.934 2.840 3.067 . 0 0 "[ . 1 . 2]" 1
724 1 42 LEU H 1 43 GLU H . . 3.410 2.790 2.599 2.953 . 0 0 "[ . 1 . 2]" 1
725 1 42 LEU H 1 44 LEU H . . 4.570 4.014 3.805 4.186 . 0 0 "[ . 1 . 2]" 1
726 1 42 LEU H 1 50 ILE MD . . 4.980 4.449 4.250 4.710 . 0 0 "[ . 1 . 2]" 1
727 1 42 LEU HA 1 42 LEU MD2 . . 3.200 2.105 1.983 2.262 . 0 0 "[ . 1 . 2]" 1
728 1 42 LEU HA 1 42 LEU HG . . 4.140 2.749 2.608 2.854 . 0 0 "[ . 1 . 2]" 1
729 1 42 LEU HA 1 45 LYS H . . 3.900 3.724 3.434 3.869 . 0 0 "[ . 1 . 2]" 1
730 1 42 LEU HA 1 45 LYS HB2 . . 4.470 3.804 3.499 4.069 . 0 0 "[ . 1 . 2]" 1
731 1 42 LEU HA 1 45 LYS QB . . 3.700 2.752 2.661 2.877 . 0 0 "[ . 1 . 2]" 1
732 1 42 LEU HA 1 45 LYS HB3 . . 4.470 2.829 2.707 2.991 . 0 0 "[ . 1 . 2]" 1
733 1 42 LEU HA 1 45 LYS QE . . 4.410 3.497 2.794 4.235 . 0 0 "[ . 1 . 2]" 1
734 1 42 LEU HA 1 46 THR H . . 4.480 3.646 3.448 3.838 . 0 0 "[ . 1 . 2]" 1
735 1 42 LEU HA 1 46 THR MG . . 4.130 3.025 2.804 3.510 . 0 0 "[ . 1 . 2]" 1
736 1 42 LEU HB2 1 42 LEU MD1 . . 3.470 2.311 2.178 2.418 . 0 0 "[ . 1 . 2]" 1
737 1 42 LEU HB2 1 42 LEU MD2 . . 3.580 3.179 3.165 3.193 . 0 0 "[ . 1 . 2]" 1
738 1 42 LEU HB2 1 43 GLU H . . 3.570 2.567 2.465 2.651 . 0 0 "[ . 1 . 2]" 1
739 1 42 LEU HB2 1 43 GLU HA . . 4.920 4.634 4.606 4.657 . 0 0 "[ . 1 . 2]" 1
740 1 42 LEU HB2 1 50 ILE MD . . 3.900 2.887 2.713 3.057 . 0 0 "[ . 1 . 2]" 1
741 1 42 LEU HB3 1 42 LEU MD1 . . 3.520 2.371 2.241 2.475 . 0 0 "[ . 1 . 2]" 1
742 1 42 LEU HB3 1 42 LEU MD2 . . 3.430 2.296 2.212 2.358 . 0 0 "[ . 1 . 2]" 1
743 1 42 LEU HB3 1 43 GLU H . . 3.680 2.980 2.835 3.083 . 0 0 "[ . 1 . 2]" 1
744 1 42 LEU HB3 1 50 ILE MD . . 3.260 2.244 2.101 2.426 . 0 0 "[ . 1 . 2]" 1
745 1 42 LEU MD1 1 50 ILE MD . . 3.060 2.631 2.485 2.847 . 0 0 "[ . 1 . 2]" 1
746 1 42 LEU MD1 1 77 GLU HB2 . . 3.950 3.511 2.915 3.833 . 0 0 "[ . 1 . 2]" 1
747 1 42 LEU MD1 1 77 GLU HB3 . . 3.760 3.454 3.033 3.692 . 0 0 "[ . 1 . 2]" 1
748 1 42 LEU MD2 1 43 GLU H . . 4.510 4.492 4.422 4.516 0.006 13 0 "[ . 1 . 2]" 1
749 1 42 LEU MD2 1 74 ALA HA . . 3.900 2.764 2.431 3.028 . 0 0 "[ . 1 . 2]" 1
750 1 42 LEU MD2 1 74 ALA MB . . 3.480 3.158 2.919 3.443 . 0 0 "[ . 1 . 2]" 1
751 1 42 LEU MD2 1 77 GLU H . . 4.790 4.476 4.253 4.741 . 0 0 "[ . 1 . 2]" 1
752 1 42 LEU MD2 1 77 GLU HB2 . . 3.640 2.537 2.273 2.736 . 0 0 "[ . 1 . 2]" 1
753 1 42 LEU MD2 1 77 GLU HB3 . . 3.410 2.799 2.408 3.113 . 0 0 "[ . 1 . 2]" 1
754 1 42 LEU MD2 1 77 GLU HG2 . . 4.330 3.798 3.504 4.031 . 0 0 "[ . 1 . 2]" 1
755 1 42 LEU MD2 1 77 GLU HG3 . . 3.510 2.562 2.297 2.773 . 0 0 "[ . 1 . 2]" 1
756 1 42 LEU MD2 1 78 VAL H . . 4.510 4.237 3.924 4.506 . 0 0 "[ . 1 . 2]" 1
757 1 42 LEU HG 1 43 GLU H . . 5.000 4.701 4.652 4.741 . 0 0 "[ . 1 . 2]" 1
758 1 42 LEU HG 1 50 ILE MD . . 4.720 4.482 4.359 4.617 . 0 0 "[ . 1 . 2]" 1
759 1 43 GLU H 1 43 GLU QB . . 3.180 2.262 2.221 2.344 . 0 0 "[ . 1 . 2]" 1
760 1 43 GLU H 1 43 GLU HG2 . . 3.860 3.786 3.575 3.856 . 0 0 "[ . 1 . 2]" 1
761 1 43 GLU H 1 43 GLU HG3 . . 3.440 2.640 2.429 2.749 . 0 0 "[ . 1 . 2]" 1
762 1 43 GLU H 1 44 LEU H . . 3.340 2.805 2.715 2.924 . 0 0 "[ . 1 . 2]" 1
763 1 43 GLU H 1 46 THR HG1 . . 5.230 4.332 4.165 4.601 . 0 0 "[ . 1 . 2]" 1
764 1 43 GLU H 1 48 THR H . . 5.500 5.411 5.226 5.486 . 0 0 "[ . 1 . 2]" 1
765 1 43 GLU H 1 50 ILE MD . . 4.180 2.951 2.777 3.123 . 0 0 "[ . 1 . 2]" 1
766 1 43 GLU H 1 50 ILE HG13 . . 5.450 4.825 4.625 5.062 . 0 0 "[ . 1 . 2]" 1
767 1 43 GLU HA 1 43 GLU HG2 . . 3.600 2.430 2.301 2.551 . 0 0 "[ . 1 . 2]" 1
768 1 43 GLU HA 1 43 GLU HG3 . . 3.610 2.795 2.716 3.032 . 0 0 "[ . 1 . 2]" 1
769 1 43 GLU HA 1 44 LEU HA . . 5.150 4.691 4.634 4.723 . 0 0 "[ . 1 . 2]" 1
770 1 43 GLU HA 1 45 LYS H . . 5.500 5.351 5.161 5.445 . 0 0 "[ . 1 . 2]" 1
771 1 43 GLU HA 1 46 THR H . . 4.250 4.115 4.003 4.232 . 0 0 "[ . 1 . 2]" 1
772 1 43 GLU HA 1 46 THR HG1 . . 3.940 2.674 2.510 2.866 . 0 0 "[ . 1 . 2]" 1
773 1 43 GLU HA 1 47 ALA H . . 4.190 3.952 3.810 4.100 . 0 0 "[ . 1 . 2]" 1
774 1 43 GLU HA 1 47 ALA HA . . 5.490 4.593 4.421 4.732 . 0 0 "[ . 1 . 2]" 1
775 1 43 GLU HA 1 48 THR H . . 2.910 2.813 2.572 2.909 . 0 0 "[ . 1 . 2]" 1
776 1 43 GLU HA 1 50 ILE H . . 4.660 4.013 3.825 4.238 . 0 0 "[ . 1 . 2]" 1
777 1 43 GLU HA 1 50 ILE MD . . 3.700 2.760 2.509 2.976 . 0 0 "[ . 1 . 2]" 1
778 1 43 GLU HA 1 50 ILE HG12 . . 5.500 4.863 4.664 5.085 . 0 0 "[ . 1 . 2]" 1
779 1 43 GLU HA 1 50 ILE HG13 . . 4.680 3.382 3.148 3.632 . 0 0 "[ . 1 . 2]" 1
780 1 43 GLU QB 1 44 LEU H . . 3.360 2.790 2.654 3.065 . 0 0 "[ . 1 . 2]" 1
781 1 43 GLU QB 1 44 LEU HA . . 5.070 3.918 3.860 4.044 . 0 0 "[ . 1 . 2]" 1
782 1 43 GLU QB 1 48 THR H . . 4.430 4.111 3.622 4.347 . 0 0 "[ . 1 . 2]" 1
783 1 43 GLU QB 1 50 ILE H . . 4.600 4.125 3.777 4.336 . 0 0 "[ . 1 . 2]" 1
784 1 43 GLU QB 1 50 ILE MD . . 4.510 3.753 3.475 3.911 . 0 0 "[ . 1 . 2]" 1
785 1 43 GLU HG2 1 48 THR H . . 4.660 4.328 3.985 4.515 . 0 0 "[ . 1 . 2]" 1
786 1 43 GLU HG2 1 49 LYS HA . . 4.860 3.162 3.041 3.342 . 0 0 "[ . 1 . 2]" 1
787 1 43 GLU HG2 1 50 ILE H . . 3.790 2.093 1.902 2.298 . 0 0 "[ . 1 . 2]" 1
788 1 43 GLU HG2 1 50 ILE HB . . 4.510 3.083 2.856 3.325 . 0 0 "[ . 1 . 2]" 1
789 1 43 GLU HG2 1 50 ILE MD . . 3.880 3.080 2.628 3.322 . 0 0 "[ . 1 . 2]" 1
790 1 43 GLU HG2 1 50 ILE HG12 . . 5.060 4.455 3.850 4.723 . 0 0 "[ . 1 . 2]" 1
791 1 43 GLU HG2 1 50 ILE HG13 . . 4.800 2.793 2.175 3.083 . 0 0 "[ . 1 . 2]" 1
792 1 43 GLU HG3 1 44 LEU H . . 4.900 4.751 4.663 4.843 . 0 0 "[ . 1 . 2]" 1
793 1 43 GLU HG3 1 48 THR H . . 5.500 5.400 5.276 5.483 . 0 0 "[ . 1 . 2]" 1
794 1 43 GLU HG3 1 49 LYS HA . . 5.000 4.803 4.637 4.989 . 0 0 "[ . 1 . 2]" 1
795 1 43 GLU HG3 1 50 ILE H . . 4.170 3.232 3.004 3.396 . 0 0 "[ . 1 . 2]" 1
796 1 43 GLU HG3 1 50 ILE HB . . 4.280 2.686 2.438 2.955 . 0 0 "[ . 1 . 2]" 1
797 1 43 GLU HG3 1 50 ILE MD . . 4.020 2.346 2.011 2.685 . 0 0 "[ . 1 . 2]" 1
798 1 43 GLU HG3 1 50 ILE HG13 . . 4.920 3.225 2.898 3.507 . 0 0 "[ . 1 . 2]" 1
799 1 44 LEU H 1 44 LEU HB2 . . 3.050 2.254 2.221 2.291 . 0 0 "[ . 1 . 2]" 1
800 1 44 LEU H 1 44 LEU HB3 . . 3.530 3.538 3.512 3.557 0.027 20 0 "[ . 1 . 2]" 1
801 1 44 LEU H 1 44 LEU MD1 . . 4.120 3.700 3.447 3.952 . 0 0 "[ . 1 . 2]" 1
802 1 44 LEU H 1 44 LEU MD2 . . 4.530 3.931 3.701 4.091 . 0 0 "[ . 1 . 2]" 1
803 1 44 LEU H 1 44 LEU HG . . 3.230 2.909 2.758 3.148 . 0 0 "[ . 1 . 2]" 1
804 1 44 LEU H 1 45 LYS H . . 3.210 2.717 2.478 2.820 . 0 0 "[ . 1 . 2]" 1
805 1 44 LEU H 1 45 LYS QB . . 4.880 4.282 4.108 4.374 . 0 0 "[ . 1 . 2]" 1
806 1 44 LEU HA 1 44 LEU MD2 . . 3.210 2.152 1.958 2.413 . 0 0 "[ . 1 . 2]" 1
807 1 44 LEU HA 1 44 LEU HG . . 3.650 2.809 2.635 3.006 . 0 0 "[ . 1 . 2]" 1
808 1 44 LEU HA 1 46 THR H . . 4.690 4.185 4.040 4.402 . 0 0 "[ . 1 . 2]" 1
809 1 44 LEU HB2 1 44 LEU MD1 . . 3.390 2.212 2.015 2.400 . 0 0 "[ . 1 . 2]" 1
810 1 44 LEU HB2 1 45 LYS H . . 3.970 2.269 2.179 2.423 . 0 0 "[ . 1 . 2]" 1
811 1 44 LEU HB2 1 45 LYS HA . . 4.730 4.472 4.395 4.567 . 0 0 "[ . 1 . 2]" 1
812 1 44 LEU HB3 1 44 LEU MD1 . . 3.370 2.448 2.273 2.620 . 0 0 "[ . 1 . 2]" 1
813 1 44 LEU HB3 1 44 LEU MD2 . . 3.540 2.259 2.101 2.362 . 0 0 "[ . 1 . 2]" 1
814 1 44 LEU HB3 1 45 LYS H . . 3.110 2.859 2.784 2.965 . 0 0 "[ . 1 . 2]" 1
815 1 44 LEU HB3 1 45 LYS HA . . 4.090 3.958 3.910 4.004 . 0 0 "[ . 1 . 2]" 1
816 1 44 LEU HB3 1 47 ALA H . . 5.020 4.774 4.684 4.938 . 0 0 "[ . 1 . 2]" 1
817 1 44 LEU MD1 1 45 LYS H . . 4.600 4.069 3.912 4.290 . 0 0 "[ . 1 . 2]" 1
818 1 44 LEU MD2 1 45 LYS H . . 5.060 4.455 4.386 4.514 . 0 0 "[ . 1 . 2]" 1
819 1 44 LEU HG 1 45 LYS H . . 4.590 4.502 4.445 4.591 0.001 10 0 "[ . 1 . 2]" 1
820 1 45 LYS H 1 45 LYS HB2 . . 3.090 2.365 2.254 2.540 . 0 0 "[ . 1 . 2]" 1
821 1 45 LYS H 1 45 LYS HB3 . . 3.090 2.730 2.526 2.890 . 0 0 "[ . 1 . 2]" 1
822 1 45 LYS H 1 45 LYS QG . . 4.040 3.941 3.892 4.018 . 0 0 "[ . 1 . 2]" 1
823 1 45 LYS H 1 46 THR H . . 3.340 2.887 2.800 2.972 . 0 0 "[ . 1 . 2]" 1
824 1 45 LYS H 1 46 THR HG1 . . 4.680 4.629 4.491 4.676 . 0 0 "[ . 1 . 2]" 1
825 1 45 LYS H 1 46 THR MG . . 4.440 4.262 4.054 4.386 . 0 0 "[ . 1 . 2]" 1
826 1 45 LYS H 1 47 ALA H . . 4.340 3.886 3.819 3.926 . 0 0 "[ . 1 . 2]" 1
827 1 45 LYS HA 1 45 LYS QG . . 3.370 2.388 2.242 2.514 . 0 0 "[ . 1 . 2]" 1
828 1 45 LYS HA 1 47 ALA H . . 4.950 4.320 4.183 4.417 . 0 0 "[ . 1 . 2]" 1
829 1 45 LYS QB 1 45 LYS QD . . 3.240 2.175 2.074 2.306 . 0 0 "[ . 1 . 2]" 1
830 1 45 LYS QB 1 45 LYS QE . . 3.450 2.265 1.970 3.102 . 0 0 "[ . 1 . 2]" 1
831 1 45 LYS QB 1 47 ALA H . . 4.850 4.450 4.377 4.538 . 0 0 "[ . 1 . 2]" 1
832 1 45 LYS HB2 1 45 LYS QD . . 3.780 2.476 2.153 3.397 . 0 0 "[ . 1 . 2]" 1
833 1 45 LYS HB2 1 45 LYS QE . . 3.970 3.006 2.383 3.967 . 0 0 "[ . 1 . 2]" 1
834 1 45 LYS HB2 1 46 THR H . . 3.930 3.858 3.716 3.926 . 0 0 "[ . 1 . 2]" 1
835 1 45 LYS HB3 1 45 LYS QD . . 3.780 2.679 2.115 3.027 . 0 0 "[ . 1 . 2]" 1
836 1 45 LYS HB3 1 45 LYS QE . . 3.970 2.444 1.995 3.239 . 0 0 "[ . 1 . 2]" 1
837 1 45 LYS HB3 1 46 THR H . . 3.930 2.692 2.544 2.844 . 0 0 "[ . 1 . 2]" 1
838 1 45 LYS QE 1 45 LYS QG . . 3.180 2.323 2.082 2.603 . 0 0 "[ . 1 . 2]" 1
839 1 45 LYS QE 1 46 THR MG . . 4.960 3.250 2.188 4.794 . 0 0 "[ . 1 . 2]" 1
840 1 45 LYS QG 1 46 THR H . . 4.030 3.885 3.583 4.031 0.001 2 0 "[ . 1 . 2]" 1
841 1 46 THR H 1 46 THR HG1 . . 3.030 2.157 2.063 2.295 . 0 0 "[ . 1 . 2]" 1
842 1 46 THR H 1 46 THR MG . . 3.350 2.238 2.124 2.318 . 0 0 "[ . 1 . 2]" 1
843 1 46 THR H 1 47 ALA H . . 2.940 2.164 2.078 2.262 . 0 0 "[ . 1 . 2]" 1
844 1 46 THR H 1 47 ALA HA . . 4.820 4.411 4.318 4.516 . 0 0 "[ . 1 . 2]" 1
845 1 46 THR H 1 48 THR H . . 4.180 3.960 3.867 4.133 . 0 0 "[ . 1 . 2]" 1
846 1 46 THR H 1 48 THR MG . . 4.780 4.742 4.600 4.789 0.009 18 0 "[ . 1 . 2]" 1
847 1 46 THR H 1 50 ILE MD . . 5.330 5.203 5.089 5.309 . 0 0 "[ . 1 . 2]" 1
848 1 46 THR HA 1 46 THR MG . . 3.180 2.506 2.457 2.559 . 0 0 "[ . 1 . 2]" 1
849 1 46 THR HA 1 47 ALA MB . . 3.950 3.859 3.824 3.951 0.001 5 0 "[ . 1 . 2]" 1
850 1 46 THR HA 1 48 THR MG . . 4.750 3.838 3.757 3.979 . 0 0 "[ . 1 . 2]" 1
851 1 46 THR HA 1 73 LYS HB2 . . 4.620 3.397 3.076 3.601 . 0 0 "[ . 1 . 2]" 1
852 1 46 THR HA 1 73 LYS HB3 . . 5.490 3.871 3.607 4.152 . 0 0 "[ . 1 . 2]" 1
853 1 46 THR HA 1 73 LYS QD . . 4.270 2.874 2.388 3.977 . 0 0 "[ . 1 . 2]" 1
854 1 46 THR HA 1 73 LYS QE . . 5.500 3.895 2.040 5.338 . 0 0 "[ . 1 . 2]" 1
855 1 46 THR HB 1 47 ALA H . . 4.860 4.190 4.125 4.259 . 0 0 "[ . 1 . 2]" 1
856 1 46 THR HB 1 48 THR H . . 4.650 3.989 3.752 4.366 . 0 0 "[ . 1 . 2]" 1
857 1 46 THR HB 1 48 THR MG . . 3.780 2.436 2.349 2.557 . 0 0 "[ . 1 . 2]" 1
858 1 46 THR HB 1 70 GLY HA2 . . 4.530 3.089 2.790 3.326 . 0 0 "[ . 1 . 2]" 1
859 1 46 THR HB 1 73 LYS HB2 . . 4.830 2.853 2.645 3.168 . 0 0 "[ . 1 . 2]" 1
860 1 46 THR HB 1 73 LYS HB3 . . 4.850 3.742 3.510 4.019 . 0 0 "[ . 1 . 2]" 1
861 1 46 THR HB 1 74 ALA H . . 4.100 2.960 2.763 3.103 . 0 0 "[ . 1 . 2]" 1
862 1 46 THR HB 1 74 ALA MB . . 4.050 2.910 2.663 3.057 . 0 0 "[ . 1 . 2]" 1
863 1 46 THR HG1 1 46 THR MG . . 3.370 2.495 2.235 2.614 . 0 0 "[ . 1 . 2]" 1
864 1 46 THR HG1 1 47 ALA H . . 3.750 2.603 2.342 3.005 . 0 0 "[ . 1 . 2]" 1
865 1 46 THR HG1 1 48 THR H . . 3.440 2.471 2.248 2.864 . 0 0 "[ . 1 . 2]" 1
866 1 46 THR HG1 1 50 ILE MD . . 4.620 3.789 3.512 4.110 . 0 0 "[ . 1 . 2]" 1
867 1 46 THR HG1 1 74 ALA H . . 5.500 5.192 4.955 5.402 . 0 0 "[ . 1 . 2]" 1
868 1 46 THR HG1 1 74 ALA MB . . 4.300 3.536 3.291 3.829 . 0 0 "[ . 1 . 2]" 1
869 1 46 THR MG 1 47 ALA H . . 4.240 3.877 3.786 3.955 . 0 0 "[ . 1 . 2]" 1
870 1 46 THR MG 1 48 THR H . . 4.800 4.410 4.284 4.648 . 0 0 "[ . 1 . 2]" 1
871 1 46 THR MG 1 73 LYS H . . 4.700 4.368 4.171 4.542 . 0 0 "[ . 1 . 2]" 1
872 1 46 THR MG 1 73 LYS HB2 . . 3.450 2.478 2.209 2.719 . 0 0 "[ . 1 . 2]" 1
873 1 46 THR MG 1 73 LYS HB3 . . 3.490 2.061 1.972 2.348 . 0 0 "[ . 1 . 2]" 1
874 1 46 THR MG 1 73 LYS QE . . 5.490 4.041 2.428 5.263 . 0 0 "[ . 1 . 2]" 1
875 1 46 THR MG 1 74 ALA H . . 3.730 2.707 2.567 2.908 . 0 0 "[ . 1 . 2]" 1
876 1 46 THR MG 1 74 ALA HA . . 3.360 2.449 2.305 2.675 . 0 0 "[ . 1 . 2]" 1
877 1 46 THR MG 1 74 ALA MB . . 3.420 2.101 1.943 2.433 . 0 0 "[ . 1 . 2]" 1
878 1 46 THR MG 1 77 GLU H . . 5.350 5.022 4.882 5.185 . 0 0 "[ . 1 . 2]" 1
879 1 46 THR MG 1 77 GLU HG2 . . 4.590 4.415 4.215 4.548 . 0 0 "[ . 1 . 2]" 1
880 1 46 THR MG 1 77 GLU HG3 . . 4.040 3.862 3.609 4.017 . 0 0 "[ . 1 . 2]" 1
881 1 47 ALA H 1 47 ALA HA . . 2.730 2.277 2.276 2.282 . 0 0 "[ . 1 . 2]" 1
882 1 47 ALA H 1 47 ALA MB . . 3.260 2.865 2.829 2.917 . 0 0 "[ . 1 . 2]" 1
883 1 47 ALA H 1 48 THR H . . 3.250 2.724 2.659 2.852 . 0 0 "[ . 1 . 2]" 1
884 1 47 ALA H 1 48 THR MG . . 4.760 4.155 3.976 4.253 . 0 0 "[ . 1 . 2]" 1
885 1 47 ALA HA 1 48 THR H . . 3.100 2.843 2.716 2.892 . 0 0 "[ . 1 . 2]" 1
886 1 47 ALA MB 1 48 THR H . . 3.790 3.667 3.646 3.708 . 0 0 "[ . 1 . 2]" 1
887 1 48 THR H 1 48 THR MG . . 3.510 2.763 2.615 2.878 . 0 0 "[ . 1 . 2]" 1
888 1 48 THR H 1 49 LYS H . . 4.650 4.474 4.435 4.508 . 0 0 "[ . 1 . 2]" 1
889 1 48 THR H 1 50 ILE MD . . 4.730 4.647 4.497 4.732 0.002 4 0 "[ . 1 . 2]" 1
890 1 48 THR H 1 50 ILE HG13 . . 5.050 4.700 4.571 4.829 . 0 0 "[ . 1 . 2]" 1
891 1 48 THR HA 1 48 THR MG . . 3.460 2.313 2.260 2.393 . 0 0 "[ . 1 . 2]" 1
892 1 48 THR HA 1 49 LYS H . . 2.990 2.533 2.452 2.601 . 0 0 "[ . 1 . 2]" 1
893 1 48 THR HA 1 66 GLY HA2 . . 4.810 3.972 3.799 4.122 . 0 0 "[ . 1 . 2]" 1
894 1 48 THR HA 1 66 GLY HA3 . . 4.810 2.978 2.752 3.141 . 0 0 "[ . 1 . 2]" 1
895 1 48 THR HA 1 67 THR H . . 4.650 4.482 4.187 4.649 . 0 0 "[ . 1 . 2]" 1
896 1 48 THR HB 1 49 LYS H . . 2.880 2.118 1.982 2.279 . 0 0 "[ . 1 . 2]" 1
897 1 48 THR HB 1 49 LYS QB . . 4.850 4.257 4.183 4.319 . 0 0 "[ . 1 . 2]" 1
898 1 48 THR HB 1 50 ILE HG12 . . 5.500 4.740 4.567 5.052 . 0 0 "[ . 1 . 2]" 1
899 1 48 THR HB 1 50 ILE HG13 . . 4.380 4.019 3.882 4.347 . 0 0 "[ . 1 . 2]" 1
900 1 48 THR HB 1 64 ILE MG . . 3.510 3.495 3.387 3.515 0.005 10 0 "[ . 1 . 2]" 1
901 1 48 THR HB 1 65 THR H . . 3.880 3.011 2.793 3.175 . 0 0 "[ . 1 . 2]" 1
902 1 48 THR HB 1 66 GLY QA . . 4.760 3.584 3.436 3.688 . 0 0 "[ . 1 . 2]" 1
903 1 48 THR HB 1 71 ILE HA . . 4.690 3.789 3.647 3.952 . 0 0 "[ . 1 . 2]" 1
904 1 48 THR HB 1 71 ILE MD . . 4.820 4.788 4.682 4.823 0.003 15 0 "[ . 1 . 2]" 1
905 1 48 THR HB 1 71 ILE HG12 . . 4.830 3.527 3.391 3.589 . 0 0 "[ . 1 . 2]" 1
906 1 48 THR HB 1 71 ILE HG13 . . 4.950 4.307 4.134 4.514 . 0 0 "[ . 1 . 2]" 1
907 1 48 THR HB 1 74 ALA MB . . 4.150 4.094 4.022 4.149 . 0 0 "[ . 1 . 2]" 1
908 1 48 THR MG 1 49 LYS H . . 3.760 3.571 3.501 3.625 . 0 0 "[ . 1 . 2]" 1
909 1 48 THR MG 1 66 GLY H . . 4.480 4.357 4.202 4.479 . 0 0 "[ . 1 . 2]" 1
910 1 48 THR MG 1 66 GLY HA2 . . 3.920 3.897 3.815 3.924 0.004 2 0 "[ . 1 . 2]" 1
911 1 48 THR MG 1 66 GLY QA . . 3.310 2.302 2.210 2.359 . 0 0 "[ . 1 . 2]" 1
912 1 48 THR MG 1 66 GLY HA3 . . 3.920 2.318 2.224 2.378 . 0 0 "[ . 1 . 2]" 1
913 1 48 THR MG 1 67 THR H . . 3.710 3.151 2.990 3.286 . 0 0 "[ . 1 . 2]" 1
914 1 48 THR MG 1 70 GLY H . . 4.370 4.101 3.897 4.370 . 0 0 "[ . 1 . 2]" 1
915 1 48 THR MG 1 70 GLY HA2 . . 4.250 3.167 2.853 3.486 . 0 0 "[ . 1 . 2]" 1
916 1 48 THR MG 1 70 GLY HA3 . . 3.910 2.412 2.171 2.711 . 0 0 "[ . 1 . 2]" 1
917 1 48 THR MG 1 71 ILE H . . 3.670 2.718 2.553 2.902 . 0 0 "[ . 1 . 2]" 1
918 1 48 THR MG 1 71 ILE HA . . 3.300 2.008 1.978 2.080 . 0 0 "[ . 1 . 2]" 1
919 1 48 THR MG 1 71 ILE HG13 . . 3.370 2.788 2.620 2.938 . 0 0 "[ . 1 . 2]" 1
920 1 48 THR MG 1 72 GLU H . . 4.660 4.461 4.327 4.619 . 0 0 "[ . 1 . 2]" 1
921 1 48 THR MG 1 74 ALA H . . 3.850 3.810 3.735 3.853 0.003 19 0 "[ . 1 . 2]" 1
922 1 48 THR MG 1 74 ALA MB . . 3.120 2.939 2.814 3.075 . 0 0 "[ . 1 . 2]" 1
923 1 49 LYS H 1 49 LYS HB2 . . 3.700 2.645 2.292 3.059 . 0 0 "[ . 1 . 2]" 1
924 1 49 LYS H 1 49 LYS QB . . 3.070 2.385 2.264 2.487 . 0 0 "[ . 1 . 2]" 1
925 1 49 LYS H 1 49 LYS HB3 . . 3.700 3.017 2.525 3.564 . 0 0 "[ . 1 . 2]" 1
926 1 49 LYS H 1 49 LYS QG . . 4.180 3.880 3.342 4.181 0.001 10 0 "[ . 1 . 2]" 1
927 1 49 LYS H 1 50 ILE H . . 4.580 3.859 3.663 4.066 . 0 0 "[ . 1 . 2]" 1
928 1 49 LYS H 1 50 ILE HG12 . . 5.500 5.448 5.357 5.502 0.002 13 0 "[ . 1 . 2]" 1
929 1 49 LYS H 1 64 ILE HA . . 4.320 4.071 3.887 4.254 . 0 0 "[ . 1 . 2]" 1
930 1 49 LYS H 1 65 THR H . . 3.540 2.560 2.347 2.750 . 0 0 "[ . 1 . 2]" 1
931 1 49 LYS H 1 65 THR HB . . 4.030 3.389 3.201 3.619 . 0 0 "[ . 1 . 2]" 1
932 1 49 LYS H 1 65 THR MG . . 4.740 4.440 4.237 4.638 . 0 0 "[ . 1 . 2]" 1
933 1 49 LYS H 1 66 GLY HA2 . . 4.750 4.725 4.646 4.756 0.006 2 0 "[ . 1 . 2]" 1
934 1 49 LYS H 1 66 GLY QA . . 4.140 3.852 3.806 3.913 . 0 0 "[ . 1 . 2]" 1
935 1 49 LYS H 1 66 GLY HA3 . . 4.750 4.082 4.015 4.163 . 0 0 "[ . 1 . 2]" 1
936 1 49 LYS H 1 71 ILE MD . . 5.500 5.400 5.261 5.486 . 0 0 "[ . 1 . 2]" 1
937 1 49 LYS HA 1 49 LYS QD . . 3.920 2.301 2.042 2.647 . 0 0 "[ . 1 . 2]" 1
938 1 49 LYS HA 1 49 LYS HE2 . . 4.800 4.280 3.586 4.782 . 0 0 "[ . 1 . 2]" 1
939 1 49 LYS HA 1 49 LYS QE . . 4.140 3.801 3.469 4.115 . 0 0 "[ . 1 . 2]" 1
940 1 49 LYS HA 1 49 LYS HE3 . . 4.800 4.419 3.750 4.800 . 0 0 "[ . 1 . 2]" 1
941 1 49 LYS HA 1 50 ILE H . . 3.080 2.283 2.192 2.367 . 0 0 "[ . 1 . 2]" 1
942 1 49 LYS HA 1 50 ILE HB . . 4.900 4.726 4.675 4.759 . 0 0 "[ . 1 . 2]" 1
943 1 49 LYS QB 1 49 LYS QE . . 2.820 2.153 1.973 2.755 . 0 0 "[ . 1 . 2]" 1
944 1 49 LYS QB 1 65 THR H . . 3.680 3.171 2.994 3.417 . 0 0 "[ . 1 . 2]" 1
945 1 49 LYS HB2 1 50 ILE H . . 4.870 4.606 4.553 4.662 . 0 0 "[ . 1 . 2]" 1
946 1 49 LYS HB2 1 65 THR HB . . 3.830 3.071 2.137 3.769 . 0 0 "[ . 1 . 2]" 1
947 1 49 LYS HB3 1 50 ILE H . . 4.870 4.278 3.912 4.500 . 0 0 "[ . 1 . 2]" 1
948 1 49 LYS HB3 1 65 THR HB . . 3.830 2.874 2.144 3.736 . 0 0 "[ . 1 . 2]" 1
949 1 49 LYS QD 1 50 ILE H . . 4.480 3.982 3.344 4.471 . 0 0 "[ . 1 . 2]" 1
950 1 49 LYS QG 1 50 ILE H . . 4.450 4.072 3.582 4.471 0.021 15 0 "[ . 1 . 2]" 1
951 1 49 LYS QG 1 65 THR HB . . 4.760 3.933 3.579 4.628 . 0 0 "[ . 1 . 2]" 1
952 1 50 ILE H 1 50 ILE HB . . 3.160 2.517 2.484 2.567 . 0 0 "[ . 1 . 2]" 1
953 1 50 ILE H 1 50 ILE MD . . 3.960 3.494 3.356 3.612 . 0 0 "[ . 1 . 2]" 1
954 1 50 ILE H 1 50 ILE HG12 . . 4.020 3.604 3.445 3.739 . 0 0 "[ . 1 . 2]" 1
955 1 50 ILE H 1 50 ILE HG13 . . 3.390 2.227 2.068 2.405 . 0 0 "[ . 1 . 2]" 1
956 1 50 ILE H 1 50 ILE MG . . 4.110 3.773 3.763 3.792 . 0 0 "[ . 1 . 2]" 1
957 1 50 ILE H 1 51 GLN H . . 4.880 4.518 4.400 4.600 . 0 0 "[ . 1 . 2]" 1
958 1 50 ILE HA 1 50 ILE MD . . 4.460 3.874 3.850 3.898 . 0 0 "[ . 1 . 2]" 1
959 1 50 ILE HA 1 50 ILE MG . . 3.650 2.374 2.268 2.442 . 0 0 "[ . 1 . 2]" 1
960 1 50 ILE HA 1 51 GLN H . . 2.860 2.157 2.141 2.206 . 0 0 "[ . 1 . 2]" 1
961 1 50 ILE HA 1 62 ILE MG . . 4.820 3.490 3.322 3.651 . 0 0 "[ . 1 . 2]" 1
962 1 50 ILE HA 1 65 THR H . . 4.400 4.068 3.863 4.295 . 0 0 "[ . 1 . 2]" 1
963 1 50 ILE HB 1 50 ILE MD . . 3.180 2.248 2.159 2.300 . 0 0 "[ . 1 . 2]" 1
964 1 50 ILE HB 1 51 GLN H . . 4.400 4.168 3.956 4.324 . 0 0 "[ . 1 . 2]" 1
965 1 50 ILE HB 1 62 ILE MG . . 5.000 4.564 4.350 4.686 . 0 0 "[ . 1 . 2]" 1
966 1 50 ILE MD 1 74 ALA MB . . 3.230 2.782 2.540 3.030 . 0 0 "[ . 1 . 2]" 1
967 1 50 ILE HG12 1 51 GLN H . . 4.870 4.443 4.251 4.577 . 0 0 "[ . 1 . 2]" 1
968 1 50 ILE HG12 1 64 ILE MG . . 3.120 2.104 1.963 2.356 . 0 0 "[ . 1 . 2]" 1
969 1 50 ILE HG12 1 74 ALA MB . . 3.560 3.294 3.168 3.490 . 0 0 "[ . 1 . 2]" 1
970 1 50 ILE HG13 1 62 ILE MG . . 5.500 4.889 4.709 5.027 . 0 0 "[ . 1 . 2]" 1
971 1 50 ILE HG13 1 64 ILE MG . . 3.570 3.005 2.807 3.169 . 0 0 "[ . 1 . 2]" 1
972 1 50 ILE MG 1 51 GLN H . . 3.440 2.473 1.989 2.808 . 0 0 "[ . 1 . 2]" 1
973 1 50 ILE MG 1 52 ILE H . . 4.590 3.735 3.483 4.005 . 0 0 "[ . 1 . 2]" 1
974 1 50 ILE MG 1 52 ILE HG12 . . 3.420 3.369 3.264 3.431 0.011 9 0 "[ . 1 . 2]" 1
975 1 50 ILE MG 1 52 ILE HG13 . . 3.660 2.465 2.370 2.607 . 0 0 "[ . 1 . 2]" 1
976 1 50 ILE MG 1 62 ILE MD . . 3.740 3.086 2.861 3.234 . 0 0 "[ . 1 . 2]" 1
977 1 51 GLN H 1 51 GLN HB2 . . 3.610 2.746 2.450 2.918 . 0 0 "[ . 1 . 2]" 1
978 1 51 GLN H 1 51 GLN QB . . 3.130 2.532 2.410 2.645 . 0 0 "[ . 1 . 2]" 1
979 1 51 GLN H 1 51 GLN HB3 . . 3.610 3.046 2.894 3.592 . 0 0 "[ . 1 . 2]" 1
980 1 51 GLN H 1 51 GLN QG . . 4.290 4.072 3.439 4.285 . 0 0 "[ . 1 . 2]" 1
981 1 51 GLN H 1 52 ILE H . . 4.520 4.150 4.031 4.309 . 0 0 "[ . 1 . 2]" 1
982 1 51 GLN H 1 52 ILE HG13 . . 4.990 4.295 4.100 4.589 . 0 0 "[ . 1 . 2]" 1
983 1 51 GLN H 1 62 ILE HA . . 4.930 4.715 4.521 4.930 0.000 8 0 "[ . 1 . 2]" 1
984 1 51 GLN H 1 62 ILE MG . . 3.650 2.918 2.629 3.229 . 0 0 "[ . 1 . 2]" 1
985 1 51 GLN H 1 63 LYS H . . 3.890 2.834 2.663 2.962 . 0 0 "[ . 1 . 2]" 1
986 1 51 GLN H 1 63 LYS HB2 . . 5.220 4.580 4.409 4.797 . 0 0 "[ . 1 . 2]" 1
987 1 51 GLN H 1 63 LYS HB3 . . 4.260 3.062 2.820 3.367 . 0 0 "[ . 1 . 2]" 1
988 1 51 GLN H 1 63 LYS QG . . 5.020 4.276 3.453 4.938 . 0 0 "[ . 1 . 2]" 1
989 1 51 GLN H 1 64 ILE HA . . 4.200 4.057 3.885 4.177 . 0 0 "[ . 1 . 2]" 1
990 1 51 GLN H 1 64 ILE MG . . 4.470 4.223 4.040 4.381 . 0 0 "[ . 1 . 2]" 1
991 1 51 GLN H 1 65 THR H . . 5.490 5.303 5.055 5.473 . 0 0 "[ . 1 . 2]" 1
992 1 51 GLN HA 1 51 GLN QG . . 3.760 2.388 2.157 2.835 . 0 0 "[ . 1 . 2]" 1
993 1 51 GLN HA 1 52 ILE H . . 2.650 2.147 2.139 2.168 . 0 0 "[ . 1 . 2]" 1
994 1 51 GLN HA 1 52 ILE HB . . 4.750 4.640 4.523 4.703 . 0 0 "[ . 1 . 2]" 1
995 1 51 GLN HA 1 52 ILE HG13 . . 4.670 3.883 3.679 4.315 . 0 0 "[ . 1 . 2]" 1
996 1 51 GLN HA 1 63 LYS HB3 . . 5.490 4.801 4.557 5.112 . 0 0 "[ . 1 . 2]" 1
997 1 51 GLN QB 1 52 ILE H . . 3.990 3.789 3.527 3.873 . 0 0 "[ . 1 . 2]" 1
998 1 51 GLN QB 1 63 LYS H . . 3.770 3.421 3.095 3.761 . 0 0 "[ . 1 . 2]" 1
999 1 51 GLN QB 1 63 LYS HB2 . . 3.910 3.492 3.229 3.745 . 0 0 "[ . 1 . 2]" 1
1000 1 51 GLN HB2 1 52 ILE H . . 4.620 4.525 4.458 4.566 . 0 0 "[ . 1 . 2]" 1
1001 1 51 GLN HB2 1 63 LYS H . . 4.580 4.433 3.681 4.585 0.005 2 0 "[ . 1 . 2]" 1
1002 1 51 GLN HB2 1 63 LYS HB2 . . 4.740 4.579 3.837 4.745 0.005 15 0 "[ . 1 . 2]" 1
1003 1 51 GLN HB2 1 63 LYS HB3 . . 4.140 2.981 2.232 3.225 . 0 0 "[ . 1 . 2]" 1
1004 1 51 GLN HB3 1 52 ILE H . . 4.620 4.072 3.680 4.190 . 0 0 "[ . 1 . 2]" 1
1005 1 51 GLN HB3 1 63 LYS H . . 4.580 3.642 3.167 4.580 . 0 0 "[ . 1 . 2]" 1
1006 1 51 GLN HB3 1 63 LYS HB2 . . 4.740 3.719 3.306 4.740 . 0 0 "[ . 1 . 2]" 1
1007 1 51 GLN HB3 1 63 LYS HB3 . . 4.140 2.481 2.063 3.456 . 0 0 "[ . 1 . 2]" 1
1008 1 51 GLN QG 1 52 ILE H . . 4.000 3.344 3.039 3.966 . 0 0 "[ . 1 . 2]" 1
1009 1 52 ILE H 1 52 ILE HB . . 3.060 2.534 2.374 2.628 . 0 0 "[ . 1 . 2]" 1
1010 1 52 ILE H 1 52 ILE MD . . 4.220 3.631 3.465 3.948 . 0 0 "[ . 1 . 2]" 1
1011 1 52 ILE H 1 52 ILE HG12 . . 3.990 3.907 3.793 3.988 . 0 0 "[ . 1 . 2]" 1
1012 1 52 ILE H 1 52 ILE HG13 . . 3.680 2.580 2.396 2.775 . 0 0 "[ . 1 . 2]" 1
1013 1 52 ILE H 1 52 ILE MG . . 3.920 3.800 3.713 3.848 . 0 0 "[ . 1 . 2]" 1
1014 1 52 ILE H 1 53 PRO HD2 . . 5.440 4.832 4.792 4.842 . 0 0 "[ . 1 . 2]" 1
1015 1 52 ILE H 1 53 PRO HD3 . . 4.990 4.818 4.626 4.912 . 0 0 "[ . 1 . 2]" 1
1016 1 52 ILE HA 1 52 ILE MD . . 4.280 3.872 3.761 3.901 . 0 0 "[ . 1 . 2]" 1
1017 1 52 ILE HA 1 52 ILE HG12 . . 4.100 2.663 2.391 2.746 . 0 0 "[ . 1 . 2]" 1
1018 1 52 ILE HA 1 52 ILE MG . . 3.580 2.436 2.321 2.527 . 0 0 "[ . 1 . 2]" 1
1019 1 52 ILE HA 1 53 PRO HD2 . . 3.690 2.116 2.012 2.178 . 0 0 "[ . 1 . 2]" 1
1020 1 52 ILE HA 1 53 PRO HD3 . . 3.570 2.262 2.252 2.295 . 0 0 "[ . 1 . 2]" 1
1021 1 52 ILE HA 1 53 PRO HG2 . . 5.000 4.285 4.202 4.335 . 0 0 "[ . 1 . 2]" 1
1022 1 52 ILE HA 1 53 PRO QG . . 4.330 3.841 3.792 3.873 . 0 0 "[ . 1 . 2]" 1
1023 1 52 ILE HA 1 53 PRO HG3 . . 5.000 4.339 4.316 4.360 . 0 0 "[ . 1 . 2]" 1
1024 1 52 ILE HA 1 62 ILE HA . . 4.300 3.150 2.938 3.379 . 0 0 "[ . 1 . 2]" 1
1025 1 52 ILE HA 1 62 ILE MD . . 4.740 4.279 4.009 4.467 . 0 0 "[ . 1 . 2]" 1
1026 1 52 ILE HA 1 62 ILE HG12 . . 4.340 2.835 2.600 3.069 . 0 0 "[ . 1 . 2]" 1
1027 1 52 ILE HA 1 62 ILE HG13 . . 4.850 4.011 3.700 4.352 . 0 0 "[ . 1 . 2]" 1
1028 1 52 ILE HA 1 62 ILE MG . . 4.380 3.733 3.536 3.958 . 0 0 "[ . 1 . 2]" 1
1029 1 52 ILE HA 1 63 LYS H . . 4.340 3.974 3.769 4.294 . 0 0 "[ . 1 . 2]" 1
1030 1 52 ILE HB 1 52 ILE MD . . 3.340 2.302 2.203 2.387 . 0 0 "[ . 1 . 2]" 1
1031 1 52 ILE MD 1 52 ILE MG . . 3.180 2.211 1.947 2.374 . 0 0 "[ . 1 . 2]" 1
1032 1 52 ILE MD 1 62 ILE MD . . 3.670 2.934 2.704 3.116 . 0 0 "[ . 1 . 2]" 1
1033 1 52 ILE HG12 1 62 ILE MD . . 3.660 2.515 2.200 2.695 . 0 0 "[ . 1 . 2]" 1
1034 1 52 ILE HG12 1 62 ILE HG12 . . 3.770 2.002 1.994 2.036 . 0 0 "[ . 1 . 2]" 1
1035 1 52 ILE HG12 1 62 ILE MG . . 3.540 3.387 3.283 3.470 . 0 0 "[ . 1 . 2]" 1
1036 1 52 ILE HG13 1 53 PRO HD3 . . 5.340 5.082 5.003 5.166 . 0 0 "[ . 1 . 2]" 1
1037 1 52 ILE HG13 1 62 ILE MD . . 3.700 3.544 3.322 3.707 0.007 9 0 "[ . 1 . 2]" 1
1038 1 52 ILE HG13 1 62 ILE HG12 . . 3.210 3.179 3.114 3.214 0.004 10 0 "[ . 1 . 2]" 1
1039 1 52 ILE HG13 1 62 ILE MG . . 3.780 3.489 3.398 3.594 . 0 0 "[ . 1 . 2]" 1
1040 1 52 ILE MG 1 53 PRO HD2 . . 3.760 1.908 1.805 2.133 . 0 0 "[ . 1 . 2]" 1
1041 1 52 ILE MG 1 53 PRO HD3 . . 3.790 3.259 3.142 3.527 . 0 0 "[ . 1 . 2]" 1
1042 1 52 ILE MG 1 62 ILE MD . . 4.130 3.471 3.184 3.912 . 0 0 "[ . 1 . 2]" 1
1043 1 53 PRO HA 1 54 ARG H . . 2.860 2.246 2.189 2.323 . 0 0 "[ . 1 . 2]" 1
1044 1 53 PRO QB 1 54 ARG H . . 3.140 2.931 2.720 3.112 . 0 0 "[ . 1 . 2]" 1
1045 1 53 PRO QB 1 57 ASP HB2 . . 4.320 3.706 3.070 4.120 . 0 0 "[ . 1 . 2]" 1
1046 1 53 PRO QB 1 57 ASP HB3 . . 3.500 2.527 2.112 2.867 . 0 0 "[ . 1 . 2]" 1
1047 1 53 PRO QB 1 59 SER HB2 . . 4.960 2.478 1.876 3.207 . 0 0 "[ . 1 . 2]" 1
1048 1 53 PRO QB 1 59 SER HB3 . . 4.300 2.650 1.942 3.060 . 0 0 "[ . 1 . 2]" 1
1049 1 53 PRO HB2 1 54 ARG H . . 3.890 3.072 2.822 3.289 . 0 0 "[ . 1 . 2]" 1
1050 1 53 PRO HB2 1 57 ASP HB3 . . 4.030 2.572 2.133 2.941 . 0 0 "[ . 1 . 2]" 1
1051 1 53 PRO HB2 1 59 SER H . . 4.760 3.736 3.567 3.864 . 0 0 "[ . 1 . 2]" 1
1052 1 53 PRO HB2 1 59 SER HB3 . . 5.040 3.474 2.105 3.947 . 0 0 "[ . 1 . 2]" 1
1053 1 53 PRO HB3 1 54 ARG H . . 3.890 3.710 3.564 3.842 . 0 0 "[ . 1 . 2]" 1
1054 1 53 PRO HB3 1 57 ASP HB3 . . 4.030 3.736 3.417 3.986 . 0 0 "[ . 1 . 2]" 1
1055 1 53 PRO HB3 1 59 SER H . . 4.760 4.471 4.298 4.614 . 0 0 "[ . 1 . 2]" 1
1056 1 53 PRO HB3 1 59 SER HB3 . . 5.040 2.764 2.280 3.190 . 0 0 "[ . 1 . 2]" 1
1057 1 53 PRO HD2 1 62 ILE HA . . 4.340 3.592 3.430 3.742 . 0 0 "[ . 1 . 2]" 1
1058 1 53 PRO HD2 1 62 ILE MD . . 4.950 4.505 4.211 4.826 . 0 0 "[ . 1 . 2]" 1
1059 1 53 PRO HD2 1 62 ILE HG12 . . 4.690 3.408 3.225 3.650 . 0 0 "[ . 1 . 2]" 1
1060 1 53 PRO HD2 1 62 ILE HG13 . . 4.960 3.661 3.339 4.126 . 0 0 "[ . 1 . 2]" 1
1061 1 53 PRO HD2 1 63 LYS H . . 5.500 5.275 5.162 5.451 . 0 0 "[ . 1 . 2]" 1
1062 1 53 PRO HD3 1 62 ILE HG12 . . 4.610 3.943 3.696 4.273 . 0 0 "[ . 1 . 2]" 1
1063 1 53 PRO HD3 1 62 ILE HG13 . . 5.000 4.268 3.805 4.870 . 0 0 "[ . 1 . 2]" 1
1064 1 53 PRO HD3 1 63 LYS H . . 4.420 4.319 4.186 4.423 0.003 15 0 "[ . 1 . 2]" 1
1065 1 53 PRO QG 1 59 SER HB2 . . 3.940 3.485 2.779 3.785 . 0 0 "[ . 1 . 2]" 1
1066 1 53 PRO QG 1 60 ASN H . . 4.990 3.925 3.695 4.221 . 0 0 "[ . 1 . 2]" 1
1067 1 53 PRO QG 1 61 GLN H . . 3.950 2.877 2.450 3.266 . 0 0 "[ . 1 . 2]" 1
1068 1 53 PRO HG2 1 59 SER HB2 . . 4.770 4.475 3.680 4.782 0.012 15 0 "[ . 1 . 2]" 1
1069 1 53 PRO HG2 1 59 SER HB3 . . 4.590 4.252 3.042 4.593 0.003 2 0 "[ . 1 . 2]" 1
1070 1 53 PRO HG3 1 59 SER HB2 . . 4.770 3.636 2.875 3.971 . 0 0 "[ . 1 . 2]" 1
1071 1 53 PRO HG3 1 59 SER HB3 . . 4.590 2.900 2.066 3.228 . 0 0 "[ . 1 . 2]" 1
1072 1 54 ARG H 1 54 ARG HB2 . . 3.160 2.301 2.184 2.536 . 0 0 "[ . 1 . 2]" 1
1073 1 54 ARG H 1 54 ARG HB3 . . 3.740 3.547 3.491 3.617 . 0 0 "[ . 1 . 2]" 1
1074 1 54 ARG H 1 54 ARG QD . . 4.370 3.216 1.869 4.344 . 0 0 "[ . 1 . 2]" 1
1075 1 54 ARG H 1 54 ARG HG2 . . 3.970 3.901 3.716 3.983 0.013 18 0 "[ . 1 . 2]" 1
1076 1 54 ARG H 1 54 ARG QG . . 3.300 2.833 2.474 3.259 . 0 0 "[ . 1 . 2]" 1
1077 1 54 ARG H 1 54 ARG HG3 . . 3.970 2.923 2.511 3.461 . 0 0 "[ . 1 . 2]" 1
1078 1 54 ARG H 1 55 PRO HD2 . . 4.980 4.732 4.704 4.759 . 0 0 "[ . 1 . 2]" 1
1079 1 54 ARG H 1 55 PRO HD3 . . 5.140 5.039 4.955 5.071 . 0 0 "[ . 1 . 2]" 1
1080 1 54 ARG H 1 56 ASP H . . 5.250 4.933 4.686 5.192 . 0 0 "[ . 1 . 2]" 1
1081 1 54 ARG H 1 57 ASP H . . 4.490 4.216 3.973 4.485 . 0 0 "[ . 1 . 2]" 1
1082 1 54 ARG H 1 57 ASP HB2 . . 3.830 3.116 2.624 3.580 . 0 0 "[ . 1 . 2]" 1
1083 1 54 ARG H 1 57 ASP HB3 . . 3.860 3.419 3.099 3.847 . 0 0 "[ . 1 . 2]" 1
1084 1 54 ARG HA 1 54 ARG QD . . 4.570 3.718 3.039 4.079 . 0 0 "[ . 1 . 2]" 1
1085 1 54 ARG HA 1 54 ARG HG2 . . 4.160 2.851 2.259 3.566 . 0 0 "[ . 1 . 2]" 1
1086 1 54 ARG HA 1 54 ARG HG3 . . 4.160 2.593 2.283 2.967 . 0 0 "[ . 1 . 2]" 1
1087 1 54 ARG HA 1 55 PRO HD2 . . 3.470 2.466 2.431 2.523 . 0 0 "[ . 1 . 2]" 1
1088 1 54 ARG HA 1 55 PRO HD3 . . 3.250 2.327 2.310 2.354 . 0 0 "[ . 1 . 2]" 1
1089 1 54 ARG HA 1 55 PRO QG . . 4.130 4.044 4.021 4.082 . 0 0 "[ . 1 . 2]" 1
1090 1 54 ARG HA 1 56 ASP H . . 4.110 3.968 3.875 4.121 0.011 17 0 "[ . 1 . 2]" 1
1091 1 54 ARG HB2 1 54 ARG QD . . 3.920 2.301 2.074 2.766 . 0 0 "[ . 1 . 2]" 1
1092 1 54 ARG HB2 1 55 PRO HD2 . . 3.720 3.618 3.577 3.646 . 0 0 "[ . 1 . 2]" 1
1093 1 54 ARG HB2 1 55 PRO HD3 . . 4.700 4.698 4.668 4.714 0.014 5 0 "[ . 1 . 2]" 1
1094 1 54 ARG HB2 1 56 ASP H . . 3.780 3.345 3.080 3.640 . 0 0 "[ . 1 . 2]" 1
1095 1 54 ARG HB2 1 57 ASP H . . 3.850 2.912 2.668 3.434 . 0 0 "[ . 1 . 2]" 1
1096 1 54 ARG HB2 1 57 ASP HB2 . . 4.250 2.273 1.996 2.509 . 0 0 "[ . 1 . 2]" 1
1097 1 54 ARG HB2 1 57 ASP HB3 . . 4.200 3.566 3.399 3.826 . 0 0 "[ . 1 . 2]" 1
1098 1 54 ARG HB3 1 54 ARG QD . . 3.900 2.795 2.287 3.262 . 0 0 "[ . 1 . 2]" 1
1099 1 54 ARG HB3 1 55 PRO HD2 . . 3.250 2.024 1.996 2.093 . 0 0 "[ . 1 . 2]" 1
1100 1 54 ARG HB3 1 55 PRO HD3 . . 3.720 3.468 3.445 3.523 . 0 0 "[ . 1 . 2]" 1
1101 1 54 ARG HB3 1 56 ASP H . . 3.370 2.305 2.219 2.396 . 0 0 "[ . 1 . 2]" 1
1102 1 54 ARG HB3 1 57 ASP H . . 4.110 3.084 2.798 3.487 . 0 0 "[ . 1 . 2]" 1
1103 1 54 ARG HB3 1 57 ASP HB2 . . 4.220 3.629 3.274 3.884 . 0 0 "[ . 1 . 2]" 1
1104 1 54 ARG QD 1 56 ASP H . . 4.990 4.534 3.853 4.995 0.005 16 0 "[ . 1 . 2]" 1
1105 1 54 ARG QG 1 55 PRO HD2 . . 3.730 2.676 2.376 3.007 . 0 0 "[ . 1 . 2]" 1
1106 1 54 ARG QG 1 55 PRO HD3 . . 4.030 3.489 3.203 3.756 . 0 0 "[ . 1 . 2]" 1
1107 1 54 ARG QG 1 57 ASP H . . 5.340 4.728 4.578 5.132 . 0 0 "[ . 1 . 2]" 1
1108 1 54 ARG HG2 1 55 PRO HD2 . . 4.360 2.907 2.400 3.541 . 0 0 "[ . 1 . 2]" 1
1109 1 54 ARG HG2 1 55 PRO HD3 . . 4.830 3.957 3.274 4.843 0.013 18 0 "[ . 1 . 2]" 1
1110 1 54 ARG HG3 1 55 PRO HD2 . . 4.360 3.639 2.991 4.103 . 0 0 "[ . 1 . 2]" 1
1111 1 54 ARG HG3 1 55 PRO HD3 . . 4.830 4.347 3.708 4.821 . 0 0 "[ . 1 . 2]" 1
1112 1 55 PRO HA 1 56 ASP HA . . 4.690 4.598 4.509 4.658 . 0 0 "[ . 1 . 2]" 1
1113 1 55 PRO HA 1 57 ASP H . . 4.500 4.210 3.961 4.423 . 0 0 "[ . 1 . 2]" 1
1114 1 55 PRO HB2 1 56 ASP H . . 3.950 3.721 3.523 3.896 . 0 0 "[ . 1 . 2]" 1
1115 1 55 PRO HB2 1 57 ASP H . . 5.500 5.438 5.316 5.502 0.002 16 0 "[ . 1 . 2]" 1
1116 1 55 PRO HB3 1 56 ASP H . . 4.540 4.365 4.250 4.465 . 0 0 "[ . 1 . 2]" 1
1117 1 55 PRO HD2 1 56 ASP H . . 4.110 2.792 2.678 2.941 . 0 0 "[ . 1 . 2]" 1
1118 1 55 PRO HD3 1 56 ASP H . . 4.420 3.919 3.858 3.996 . 0 0 "[ . 1 . 2]" 1
1119 1 55 PRO QG 1 56 ASP H . . 4.760 2.879 2.590 3.152 . 0 0 "[ . 1 . 2]" 1
1120 1 56 ASP H 1 56 ASP HB2 . . 3.860 2.820 2.277 3.763 . 0 0 "[ . 1 . 2]" 1
1121 1 56 ASP H 1 56 ASP QB . . 3.320 2.447 2.228 3.077 . 0 0 "[ . 1 . 2]" 1
1122 1 56 ASP H 1 56 ASP HB3 . . 3.860 3.173 2.279 3.729 . 0 0 "[ . 1 . 2]" 1
1123 1 56 ASP H 1 57 ASP H . . 3.250 2.116 1.916 2.253 . 0 0 "[ . 1 . 2]" 1
1124 1 56 ASP H 1 57 ASP HA . . 5.010 4.741 4.440 4.914 . 0 0 "[ . 1 . 2]" 1
1125 1 56 ASP H 1 57 ASP HB3 . . 5.060 4.763 4.602 4.957 . 0 0 "[ . 1 . 2]" 1
1126 1 56 ASP QB 1 57 ASP H . . 4.470 3.152 2.905 3.983 . 0 0 "[ . 1 . 2]" 1
1127 1 57 ASP H 1 57 ASP HB2 . . 3.150 2.314 2.214 2.437 . 0 0 "[ . 1 . 2]" 1
1128 1 57 ASP H 1 57 ASP HB3 . . 3.040 2.846 2.722 2.904 . 0 0 "[ . 1 . 2]" 1
1129 1 57 ASP H 1 58 PRO HD2 . . 4.980 4.819 4.797 4.840 . 0 0 "[ . 1 . 2]" 1
1130 1 57 ASP H 1 58 PRO QD . . 4.370 4.344 4.328 4.356 . 0 0 "[ . 1 . 2]" 1
1131 1 57 ASP H 1 58 PRO HD3 . . 4.980 4.937 4.921 4.951 . 0 0 "[ . 1 . 2]" 1
1132 1 57 ASP H 1 59 SER H . . 4.910 4.739 4.629 4.894 . 0 0 "[ . 1 . 2]" 1
1133 1 57 ASP HA 1 58 PRO HD2 . . 3.940 2.213 2.191 2.220 . 0 0 "[ . 1 . 2]" 1
1134 1 57 ASP HA 1 58 PRO HD3 . . 3.940 2.253 2.251 2.254 . 0 0 "[ . 1 . 2]" 1
1135 1 57 ASP HA 1 59 SER H . . 4.580 3.721 3.706 3.734 . 0 0 "[ . 1 . 2]" 1
1136 1 57 ASP HB2 1 59 SER H . . 4.610 4.111 4.090 4.149 . 0 0 "[ . 1 . 2]" 1
1137 1 57 ASP HB3 1 59 SER H . . 4.420 2.592 2.532 2.758 . 0 0 "[ . 1 . 2]" 1
1138 1 58 PRO QB 1 59 SER H . . 4.110 3.712 3.643 3.734 . 0 0 "[ . 1 . 2]" 1
1139 1 58 PRO QD 1 59 SER H . . 3.480 2.935 2.841 2.969 . 0 0 "[ . 1 . 2]" 1
1140 1 58 PRO HD2 1 59 SER H . . 4.170 3.014 2.909 3.053 . 0 0 "[ . 1 . 2]" 1
1141 1 58 PRO HD3 1 59 SER H . . 4.170 4.036 3.981 4.056 . 0 0 "[ . 1 . 2]" 1
1142 1 58 PRO HG2 1 59 SER H . . 3.620 3.327 3.166 3.382 . 0 0 "[ . 1 . 2]" 1
1143 1 59 SER H 1 59 SER HB2 . . 2.930 2.346 2.258 2.575 . 0 0 "[ . 1 . 2]" 1
1144 1 59 SER H 1 59 SER HB3 . . 3.670 3.496 2.605 3.650 . 0 0 "[ . 1 . 2]" 1
1145 1 59 SER HA 1 60 ASN H . . 2.880 2.143 2.138 2.160 . 0 0 "[ . 1 . 2]" 1
1146 1 59 SER HA 1 60 ASN HB3 . . 5.500 4.606 4.461 4.746 . 0 0 "[ . 1 . 2]" 1
1147 1 59 SER HA 1 61 GLN H . . 3.820 3.539 3.338 3.687 . 0 0 "[ . 1 . 2]" 1
1148 1 59 SER HB2 1 60 ASN H . . 4.520 4.396 4.233 4.508 . 0 0 "[ . 1 . 2]" 1
1149 1 59 SER HB2 1 61 GLN H . . 4.830 4.555 4.303 4.847 0.017 16 0 "[ . 1 . 2]" 1
1150 1 59 SER HB3 1 60 ASN H . . 4.390 3.545 3.290 4.157 . 0 0 "[ . 1 . 2]" 1
1151 1 59 SER HB3 1 61 GLN H . . 4.290 3.144 2.907 4.162 . 0 0 "[ . 1 . 2]" 1
1152 1 59 SER HB3 1 61 GLN QG . . 4.950 3.500 2.783 4.698 . 0 0 "[ . 1 . 2]" 1
1153 1 60 ASN H 1 60 ASN HB2 . . 4.080 3.762 3.714 3.822 . 0 0 "[ . 1 . 2]" 1
1154 1 60 ASN H 1 60 ASN HB3 . . 3.840 3.082 2.931 3.249 . 0 0 "[ . 1 . 2]" 1
1155 1 60 ASN H 1 60 ASN HD21 . . 5.180 4.526 4.152 4.743 . 0 0 "[ . 1 . 2]" 1
1156 1 60 ASN H 1 60 ASN HD22 . . 5.380 4.387 4.050 4.613 . 0 0 "[ . 1 . 2]" 1
1157 1 60 ASN H 1 61 GLN QB . . 4.400 4.060 3.867 4.304 . 0 0 "[ . 1 . 2]" 1
1158 1 60 ASN H 1 61 GLN QG . . 4.140 3.198 2.588 3.619 . 0 0 "[ . 1 . 2]" 1
1159 1 60 ASN HB2 1 60 ASN HD22 . . 4.030 3.437 3.433 3.461 . 0 0 "[ . 1 . 2]" 1
1160 1 60 ASN HB2 1 61 GLN H . . 4.720 4.431 4.373 4.469 . 0 0 "[ . 1 . 2]" 1
1161 1 60 ASN HB3 1 61 GLN H . . 4.760 4.523 4.384 4.627 . 0 0 "[ . 1 . 2]" 1
1162 1 61 GLN H 1 61 GLN HB2 . . 3.880 3.442 2.599 3.729 . 0 0 "[ . 1 . 2]" 1
1163 1 61 GLN H 1 61 GLN QB . . 3.110 2.816 2.550 2.959 . 0 0 "[ . 1 . 2]" 1
1164 1 61 GLN H 1 61 GLN HB3 . . 3.880 3.186 2.805 3.754 . 0 0 "[ . 1 . 2]" 1
1165 1 61 GLN H 1 61 GLN HG2 . . 4.150 2.349 1.901 3.502 . 0 0 "[ . 1 . 2]" 1
1166 1 61 GLN H 1 61 GLN QG . . 3.300 2.082 1.887 2.622 . 0 0 "[ . 1 . 2]" 1
1167 1 61 GLN H 1 61 GLN HG3 . . 4.150 2.946 2.100 3.502 . 0 0 "[ . 1 . 2]" 1
1168 1 61 GLN H 1 62 ILE H . . 4.620 4.357 4.291 4.427 . 0 0 "[ . 1 . 2]" 1
1169 1 61 GLN HA 1 61 GLN QG . . 3.700 3.133 2.440 3.339 . 0 0 "[ . 1 . 2]" 1
1170 1 61 GLN HA 1 62 ILE H . . 2.830 2.140 2.138 2.145 . 0 0 "[ . 1 . 2]" 1
1171 1 61 GLN HA 1 62 ILE HB . . 4.760 4.441 4.426 4.454 . 0 0 "[ . 1 . 2]" 1
1172 1 61 GLN HA 1 62 ILE HG13 . . 5.060 4.174 4.113 4.249 . 0 0 "[ . 1 . 2]" 1
1173 1 61 GLN QB 1 62 ILE H . . 3.990 3.299 3.221 3.362 . 0 0 "[ . 1 . 2]" 1
1174 1 61 GLN HB2 1 62 ILE H . . 4.810 3.626 3.402 4.195 . 0 0 "[ . 1 . 2]" 1
1175 1 61 GLN HB3 1 62 ILE H . . 4.810 4.047 3.354 4.302 . 0 0 "[ . 1 . 2]" 1
1176 1 61 GLN QG 1 62 ILE H . . 4.540 4.287 4.155 4.449 . 0 0 "[ . 1 . 2]" 1
1177 1 61 GLN HG2 1 62 ILE H . . 5.420 4.954 4.540 5.415 . 0 0 "[ . 1 . 2]" 1
1178 1 61 GLN HG3 1 62 ILE H . . 5.420 4.777 4.496 5.390 . 0 0 "[ . 1 . 2]" 1
1179 1 62 ILE H 1 62 ILE HB . . 3.010 2.325 2.311 2.333 . 0 0 "[ . 1 . 2]" 1
1180 1 62 ILE H 1 62 ILE MD . . 4.110 3.698 3.559 3.815 . 0 0 "[ . 1 . 2]" 1
1181 1 62 ILE H 1 62 ILE HG12 . . 4.190 3.885 3.807 3.974 . 0 0 "[ . 1 . 2]" 1
1182 1 62 ILE H 1 62 ILE HG13 . . 3.610 2.644 2.604 2.712 . 0 0 "[ . 1 . 2]" 1
1183 1 62 ILE H 1 62 ILE MG . . 3.920 3.696 3.686 3.702 . 0 0 "[ . 1 . 2]" 1
1184 1 62 ILE H 1 63 LYS H . . 4.650 4.615 4.605 4.620 . 0 0 "[ . 1 . 2]" 1
1185 1 62 ILE HA 1 62 ILE MD . . 4.370 3.789 3.762 3.805 . 0 0 "[ . 1 . 2]" 1
1186 1 62 ILE HA 1 62 ILE HG12 . . 3.710 2.485 2.399 2.597 . 0 0 "[ . 1 . 2]" 1
1187 1 62 ILE HA 1 62 ILE HG13 . . 3.910 2.737 2.622 2.814 . 0 0 "[ . 1 . 2]" 1
1188 1 62 ILE HA 1 62 ILE MG . . 3.600 2.520 2.502 2.532 . 0 0 "[ . 1 . 2]" 1
1189 1 62 ILE HA 1 63 LYS H . . 2.780 2.271 2.256 2.314 . 0 0 "[ . 1 . 2]" 1
1190 1 62 ILE HA 1 63 LYS HB2 . . 5.300 4.401 4.213 4.713 . 0 0 "[ . 1 . 2]" 1
1191 1 62 ILE HA 1 63 LYS HB3 . . 5.200 4.586 4.290 4.801 . 0 0 "[ . 1 . 2]" 1
1192 1 62 ILE HB 1 62 ILE MD . . 3.460 2.272 2.185 2.339 . 0 0 "[ . 1 . 2]" 1
1193 1 62 ILE HB 1 63 LYS H . . 4.020 3.992 3.907 4.025 0.005 18 0 "[ . 1 . 2]" 1
1194 1 62 ILE MD 1 62 ILE MG . . 3.010 2.133 2.045 2.267 . 0 0 "[ . 1 . 2]" 1
1195 1 62 ILE MD 1 63 LYS H . . 4.750 4.660 4.578 4.740 . 0 0 "[ . 1 . 2]" 1
1196 1 62 ILE MD 1 78 VAL HA . . 5.160 4.876 4.627 5.051 . 0 0 "[ . 1 . 2]" 1
1197 1 62 ILE MD 1 78 VAL HB . . 4.320 4.095 3.862 4.269 . 0 0 "[ . 1 . 2]" 1
1198 1 62 ILE MD 1 78 VAL MG2 . . 3.450 2.105 1.904 2.265 . 0 0 "[ . 1 . 2]" 1
1199 1 62 ILE HG12 1 63 LYS H . . 3.960 3.793 3.743 3.830 . 0 0 "[ . 1 . 2]" 1
1200 1 62 ILE HG13 1 63 LYS H . . 4.770 4.661 4.556 4.734 . 0 0 "[ . 1 . 2]" 1
1201 1 62 ILE MG 1 63 LYS H . . 3.320 2.004 1.897 2.091 . 0 0 "[ . 1 . 2]" 1
1202 1 62 ILE MG 1 63 LYS HB2 . . 5.500 4.452 4.302 4.642 . 0 0 "[ . 1 . 2]" 1
1203 1 62 ILE MG 1 64 ILE H . . 5.380 3.998 3.869 4.108 . 0 0 "[ . 1 . 2]" 1
1204 1 62 ILE MG 1 64 ILE HG12 . . 3.710 3.202 3.152 3.234 . 0 0 "[ . 1 . 2]" 1
1205 1 62 ILE MG 1 64 ILE HG13 . . 4.710 4.713 4.676 4.722 0.012 2 0 "[ . 1 . 2]" 1
1206 1 62 ILE MG 1 64 ILE MG . . 3.790 2.652 2.598 2.768 . 0 0 "[ . 1 . 2]" 1
1207 1 63 LYS H 1 63 LYS HB2 . . 3.340 2.982 2.806 3.256 . 0 0 "[ . 1 . 2]" 1
1208 1 63 LYS H 1 63 LYS HB3 . . 3.310 2.583 2.398 2.749 . 0 0 "[ . 1 . 2]" 1
1209 1 63 LYS H 1 63 LYS QG . . 4.120 4.033 3.817 4.173 0.053 18 0 "[ . 1 . 2]" 1
1210 1 63 LYS H 1 64 ILE H . . 4.460 4.434 4.390 4.469 0.009 13 0 "[ . 1 . 2]" 1
1211 1 63 LYS H 1 64 ILE MG . . 4.840 4.593 4.517 4.681 . 0 0 "[ . 1 . 2]" 1
1212 1 63 LYS HA 1 63 LYS QD . . 4.920 3.946 2.601 4.245 . 0 0 "[ . 1 . 2]" 1
1213 1 63 LYS HA 1 63 LYS QG . . 3.870 2.474 2.277 2.660 . 0 0 "[ . 1 . 2]" 1
1214 1 63 LYS HA 1 64 ILE H . . 2.840 2.175 2.154 2.205 . 0 0 "[ . 1 . 2]" 1
1215 1 63 LYS HA 1 64 ILE HB . . 5.500 5.575 5.557 5.587 0.087 6 0 "[ . 1 . 2]" 1
1216 1 63 LYS HA 1 64 ILE HG12 . . 5.100 3.401 3.295 3.463 . 0 0 "[ . 1 . 2]" 1
1217 1 63 LYS HB2 1 63 LYS QD . . 3.800 2.492 2.056 3.381 . 0 0 "[ . 1 . 2]" 1
1218 1 63 LYS HB2 1 64 ILE H . . 4.320 4.158 3.939 4.323 0.003 6 0 "[ . 1 . 2]" 1
1219 1 63 LYS HB3 1 63 LYS QD . . 3.830 2.444 2.235 3.222 . 0 0 "[ . 1 . 2]" 1
1220 1 63 LYS HB3 1 63 LYS QE . . 4.290 3.779 2.163 4.301 0.011 2 0 "[ . 1 . 2]" 1
1221 1 63 LYS HB3 1 64 ILE H . . 4.560 4.107 3.919 4.285 . 0 0 "[ . 1 . 2]" 1
1222 1 63 LYS QG 1 64 ILE H . . 3.570 2.561 2.340 2.791 . 0 0 "[ . 1 . 2]" 1
1223 1 64 ILE H 1 64 ILE MD . . 3.920 3.765 3.673 3.844 . 0 0 "[ . 1 . 2]" 1
1224 1 64 ILE H 1 64 ILE HG12 . . 3.090 2.357 2.239 2.459 . 0 0 "[ . 1 . 2]" 1
1225 1 64 ILE H 1 64 ILE HG13 . . 4.000 2.309 2.213 2.452 . 0 0 "[ . 1 . 2]" 1
1226 1 64 ILE H 1 64 ILE MG . . 4.010 3.494 3.426 3.553 . 0 0 "[ . 1 . 2]" 1
1227 1 64 ILE H 1 65 THR H . . 4.520 4.210 4.105 4.298 . 0 0 "[ . 1 . 2]" 1
1228 1 64 ILE HA 1 65 THR H . . 2.990 2.140 2.138 2.148 . 0 0 "[ . 1 . 2]" 1
1229 1 64 ILE HB 1 64 ILE MD . . 3.260 2.353 2.318 2.395 . 0 0 "[ . 1 . 2]" 1
1230 1 64 ILE HB 1 71 ILE HA . . 4.730 2.928 2.720 3.118 . 0 0 "[ . 1 . 2]" 1
1231 1 64 ILE HB 1 71 ILE HG12 . . 4.340 2.831 2.635 2.971 . 0 0 "[ . 1 . 2]" 1
1232 1 64 ILE HB 1 71 ILE MG . . 3.640 1.997 1.961 2.071 . 0 0 "[ . 1 . 2]" 1
1233 1 64 ILE MD 1 64 ILE MG . . 3.370 2.097 2.002 2.170 . 0 0 "[ . 1 . 2]" 1
1234 1 64 ILE MD 1 74 ALA H . . 4.830 4.658 4.493 4.791 . 0 0 "[ . 1 . 2]" 1
1235 1 64 ILE MD 1 74 ALA MB . . 3.740 3.020 2.859 3.137 . 0 0 "[ . 1 . 2]" 1
1236 1 64 ILE MD 1 75 ARG H . . 3.740 3.097 2.941 3.209 . 0 0 "[ . 1 . 2]" 1
1237 1 64 ILE MD 1 75 ARG HA . . 3.510 2.712 2.573 2.872 . 0 0 "[ . 1 . 2]" 1
1238 1 64 ILE MD 1 75 ARG HB2 . . 4.390 2.271 2.186 2.390 . 0 0 "[ . 1 . 2]" 1
1239 1 64 ILE MD 1 75 ARG HB3 . . 4.270 3.589 3.488 3.736 . 0 0 "[ . 1 . 2]" 1
1240 1 64 ILE MD 1 75 ARG QD . . 5.110 2.374 1.915 3.640 . 0 0 "[ . 1 . 2]" 1
1241 1 64 ILE MD 1 75 ARG QG . . 3.690 2.045 1.861 2.418 . 0 0 "[ . 1 . 2]" 1
1242 1 64 ILE MD 1 76 HIS H . . 5.040 4.896 4.778 5.029 . 0 0 "[ . 1 . 2]" 1
1243 1 64 ILE MD 1 78 VAL H . . 5.500 5.453 5.270 5.502 0.002 3 0 "[ . 1 . 2]" 1
1244 1 64 ILE MD 1 78 VAL MG1 . . 3.380 3.199 3.067 3.371 . 0 0 "[ . 1 . 2]" 1
1245 1 64 ILE HG12 1 64 ILE MG . . 3.460 2.271 2.234 2.309 . 0 0 "[ . 1 . 2]" 1
1246 1 64 ILE MG 1 65 THR H . . 3.580 3.524 3.418 3.583 0.003 7 0 "[ . 1 . 2]" 1
1247 1 64 ILE MG 1 65 THR HA . . 5.370 5.251 5.210 5.291 . 0 0 "[ . 1 . 2]" 1
1248 1 64 ILE MG 1 71 ILE HA . . 3.470 3.408 3.236 3.471 0.001 4 0 "[ . 1 . 2]" 1
1249 1 64 ILE MG 1 71 ILE HG12 . . 4.240 4.190 4.078 4.241 0.001 9 0 "[ . 1 . 2]" 1
1250 1 64 ILE MG 1 71 ILE MG . . 3.130 3.095 3.023 3.139 0.009 2 0 "[ . 1 . 2]" 1
1251 1 64 ILE MG 1 74 ALA H . . 4.570 4.469 4.334 4.572 0.002 9 0 "[ . 1 . 2]" 1
1252 1 64 ILE MG 1 74 ALA MB . . 2.940 1.991 1.925 2.076 . 0 0 "[ . 1 . 2]" 1
1253 1 64 ILE MG 1 75 ARG H . . 3.930 3.896 3.757 3.936 0.006 2 0 "[ . 1 . 2]" 1
1254 1 64 ILE MG 1 75 ARG HA . . 5.490 3.991 3.863 4.105 . 0 0 "[ . 1 . 2]" 1
1255 1 64 ILE MG 1 75 ARG HB2 . . 4.220 4.193 4.123 4.222 0.002 1 0 "[ . 1 . 2]" 1
1256 1 65 THR H 1 65 THR HB . . 3.290 2.756 2.635 2.864 . 0 0 "[ . 1 . 2]" 1
1257 1 65 THR H 1 65 THR MG . . 4.180 3.901 3.848 3.942 . 0 0 "[ . 1 . 2]" 1
1258 1 65 THR H 1 66 GLY H . . 4.560 4.441 4.389 4.485 . 0 0 "[ . 1 . 2]" 1
1259 1 65 THR H 1 71 ILE MD . . 4.380 4.312 4.202 4.385 0.005 4 0 "[ . 1 . 2]" 1
1260 1 65 THR H 1 71 ILE HG12 . . 4.170 3.782 3.587 4.086 . 0 0 "[ . 1 . 2]" 1
1261 1 65 THR HA 1 65 THR MG . . 3.520 2.317 2.130 2.411 . 0 0 "[ . 1 . 2]" 1
1262 1 65 THR HA 1 66 GLY H . . 2.780 2.228 2.175 2.281 . 0 0 "[ . 1 . 2]" 1
1263 1 65 THR HA 1 71 ILE MD . . 4.110 2.206 1.983 2.486 . 0 0 "[ . 1 . 2]" 1
1264 1 65 THR HA 1 71 ILE HG12 . . 4.800 2.975 2.762 3.330 . 0 0 "[ . 1 . 2]" 1
1265 1 65 THR HA 1 71 ILE HG13 . . 5.110 4.064 3.774 4.462 . 0 0 "[ . 1 . 2]" 1
1266 1 65 THR HB 1 66 GLY H . . 4.090 3.879 3.759 4.000 . 0 0 "[ . 1 . 2]" 1
1267 1 65 THR MG 1 66 GLY H . . 3.340 2.178 1.993 2.497 . 0 0 "[ . 1 . 2]" 1
1268 1 65 THR MG 1 66 GLY HA2 . . 5.260 3.168 2.943 3.467 . 0 0 "[ . 1 . 2]" 1
1269 1 65 THR MG 1 66 GLY HA3 . . 5.260 4.003 3.797 4.241 . 0 0 "[ . 1 . 2]" 1
1270 1 66 GLY H 1 67 THR H . . 4.480 4.332 4.224 4.385 . 0 0 "[ . 1 . 2]" 1
1271 1 66 GLY H 1 67 THR HA . . 4.970 4.929 4.839 4.973 0.003 16 0 "[ . 1 . 2]" 1
1272 1 66 GLY H 1 71 ILE MD . . 3.350 1.958 1.881 2.104 . 0 0 "[ . 1 . 2]" 1
1273 1 66 GLY H 1 71 ILE HG13 . . 3.890 3.277 3.072 3.513 . 0 0 "[ . 1 . 2]" 1
1274 1 66 GLY H 1 71 ILE MG . . 4.750 4.617 4.420 4.755 0.005 16 0 "[ . 1 . 2]" 1
1275 1 66 GLY QA 1 67 THR H . . 2.740 2.178 2.130 2.212 . 0 0 "[ . 1 . 2]" 1
1276 1 66 GLY HA2 1 67 THR H . . 3.220 2.952 2.861 3.093 . 0 0 "[ . 1 . 2]" 1
1277 1 66 GLY HA2 1 71 ILE HG13 . . 5.080 4.276 4.067 4.422 . 0 0 "[ . 1 . 2]" 1
1278 1 66 GLY HA3 1 67 THR H . . 3.220 2.244 2.170 2.303 . 0 0 "[ . 1 . 2]" 1
1279 1 66 GLY HA3 1 71 ILE HG13 . . 5.080 3.005 2.791 3.222 . 0 0 "[ . 1 . 2]" 1
1280 1 67 THR H 1 67 THR HB . . 3.760 3.623 3.528 3.681 . 0 0 "[ . 1 . 2]" 1
1281 1 67 THR H 1 67 THR MG . . 2.900 2.483 2.227 2.881 . 0 0 "[ . 1 . 2]" 1
1282 1 67 THR H 1 68 LYS H . . 4.650 4.593 4.563 4.608 . 0 0 "[ . 1 . 2]" 1
1283 1 67 THR H 1 70 GLY H . . 4.100 3.607 3.506 3.703 . 0 0 "[ . 1 . 2]" 1
1284 1 67 THR H 1 70 GLY HA2 . . 5.050 4.968 4.778 5.053 0.003 11 0 "[ . 1 . 2]" 1
1285 1 67 THR H 1 70 GLY HA3 . . 3.980 3.262 3.064 3.352 . 0 0 "[ . 1 . 2]" 1
1286 1 67 THR H 1 71 ILE MD . . 4.930 4.207 3.870 4.469 . 0 0 "[ . 1 . 2]" 1
1287 1 67 THR HA 1 68 LYS H . . 3.030 2.269 2.202 2.477 . 0 0 "[ . 1 . 2]" 1
1288 1 67 THR HA 1 69 GLU H . . 4.190 4.043 3.836 4.190 0.000 19 0 "[ . 1 . 2]" 1
1289 1 67 THR HB 1 68 LYS H . . 3.090 2.777 2.217 3.017 . 0 0 "[ . 1 . 2]" 1
1290 1 67 THR HB 1 70 GLY H . . 4.310 3.245 2.780 3.655 . 0 0 "[ . 1 . 2]" 1
1291 1 67 THR HG1 1 70 GLY H . . 5.230 2.262 1.902 2.758 . 0 0 "[ . 1 . 2]" 1
1292 1 67 THR MG 1 68 LYS H . . 3.920 3.724 3.353 3.887 . 0 0 "[ . 1 . 2]" 1
1293 1 67 THR MG 1 69 GLU H . . 4.840 4.235 4.022 4.394 . 0 0 "[ . 1 . 2]" 1
1294 1 67 THR MG 1 70 GLY H . . 4.230 4.007 3.846 4.211 . 0 0 "[ . 1 . 2]" 1
1295 1 68 LYS H 1 68 LYS HB2 . . 3.400 2.253 2.164 2.502 . 0 0 "[ . 1 . 2]" 1
1296 1 68 LYS H 1 68 LYS QB . . 2.920 2.176 2.121 2.268 . 0 0 "[ . 1 . 2]" 1
1297 1 68 LYS H 1 68 LYS HB3 . . 3.400 2.998 2.595 3.487 0.087 4 0 "[ . 1 . 2]" 1
1298 1 68 LYS H 1 68 LYS QG . . 4.680 3.747 2.860 4.070 . 0 0 "[ . 1 . 2]" 1
1299 1 68 LYS H 1 69 GLU H . . 3.540 2.851 2.533 2.951 . 0 0 "[ . 1 . 2]" 1
1300 1 68 LYS H 1 69 GLU HA . . 5.500 5.429 5.181 5.505 0.005 16 0 "[ . 1 . 2]" 1
1301 1 68 LYS H 1 70 GLY H . . 4.790 4.354 4.024 4.792 0.002 9 0 "[ . 1 . 2]" 1
1302 1 68 LYS H 1 71 ILE MD . . 4.770 4.430 4.181 4.718 . 0 0 "[ . 1 . 2]" 1
1303 1 68 LYS HA 1 68 LYS QD . . 3.990 2.951 2.032 4.002 0.012 3 0 "[ . 1 . 2]" 1
1304 1 68 LYS HA 1 68 LYS HG2 . . 4.150 2.994 2.203 3.835 . 0 0 "[ . 1 . 2]" 1
1305 1 68 LYS HA 1 68 LYS QG . . 3.390 2.401 2.147 2.914 . 0 0 "[ . 1 . 2]" 1
1306 1 68 LYS HA 1 68 LYS HG3 . . 4.150 2.948 2.185 3.633 . 0 0 "[ . 1 . 2]" 1
1307 1 68 LYS HA 1 71 ILE H . . 4.370 4.223 4.029 4.355 . 0 0 "[ . 1 . 2]" 1
1308 1 68 LYS HA 1 71 ILE HB . . 3.950 3.555 3.323 3.722 . 0 0 "[ . 1 . 2]" 1
1309 1 68 LYS HA 1 71 ILE MD . . 3.520 3.413 3.248 3.525 0.005 4 0 "[ . 1 . 2]" 1
1310 1 68 LYS HA 1 71 ILE HG13 . . 4.590 4.427 4.203 4.587 . 0 0 "[ . 1 . 2]" 1
1311 1 68 LYS HA 1 72 GLU H . . 4.320 4.225 3.962 4.319 . 0 0 "[ . 1 . 2]" 1
1312 1 68 LYS QB 1 69 GLU H . . 3.380 2.767 2.583 2.977 . 0 0 "[ . 1 . 2]" 1
1313 1 68 LYS QG 1 69 GLU H . . 4.650 4.260 3.609 4.652 0.002 4 0 "[ . 1 . 2]" 1
1314 1 68 LYS HG2 1 69 GLU H . . 5.370 4.818 4.499 5.356 . 0 0 "[ . 1 . 2]" 1
1315 1 68 LYS HG3 1 69 GLU H . . 5.370 4.833 3.766 5.372 0.002 8 0 "[ . 1 . 2]" 1
1316 1 69 GLU H 1 69 GLU HB2 . . 3.250 2.417 2.339 2.480 . 0 0 "[ . 1 . 2]" 1
1317 1 69 GLU H 1 69 GLU HB3 . . 3.790 3.607 3.579 3.627 . 0 0 "[ . 1 . 2]" 1
1318 1 69 GLU H 1 69 GLU HG2 . . 4.200 3.291 2.372 4.180 . 0 0 "[ . 1 . 2]" 1
1319 1 69 GLU H 1 69 GLU QG . . 3.630 2.641 2.339 3.372 . 0 0 "[ . 1 . 2]" 1
1320 1 69 GLU H 1 69 GLU HG3 . . 4.200 3.199 2.367 3.968 . 0 0 "[ . 1 . 2]" 1
1321 1 69 GLU H 1 70 GLY H . . 3.350 2.432 2.229 2.704 . 0 0 "[ . 1 . 2]" 1
1322 1 69 GLU HA 1 69 GLU HG2 . . 3.870 2.924 2.352 3.719 . 0 0 "[ . 1 . 2]" 1
1323 1 69 GLU HA 1 69 GLU HG3 . . 3.870 3.163 2.282 3.794 . 0 0 "[ . 1 . 2]" 1
1324 1 69 GLU HA 1 72 GLU H . . 3.830 3.758 3.619 3.830 . 0 0 "[ . 1 . 2]" 1
1325 1 69 GLU HA 1 72 GLU HB2 . . 3.230 2.669 2.551 2.828 . 0 0 "[ . 1 . 2]" 1
1326 1 69 GLU HA 1 73 LYS H . . 4.470 4.192 3.890 4.431 . 0 0 "[ . 1 . 2]" 1
1327 1 69 GLU HB2 1 70 GLY H . . 3.780 2.591 2.274 2.792 . 0 0 "[ . 1 . 2]" 1
1328 1 69 GLU HB2 1 70 GLY HA2 . . 4.840 4.314 4.210 4.439 . 0 0 "[ . 1 . 2]" 1
1329 1 69 GLU HB2 1 70 GLY HA3 . . 4.770 4.556 4.447 4.685 . 0 0 "[ . 1 . 2]" 1
1330 1 69 GLU HB2 1 71 ILE H . . 5.500 5.351 5.094 5.460 . 0 0 "[ . 1 . 2]" 1
1331 1 69 GLU HB3 1 70 GLY H . . 3.670 3.567 3.114 3.673 0.003 8 0 "[ . 1 . 2]" 1
1332 1 69 GLU QG 1 70 GLY H . . 4.540 4.145 3.960 4.458 . 0 0 "[ . 1 . 2]" 1
1333 1 70 GLY H 1 71 ILE H . . 3.270 2.898 2.764 3.027 . 0 0 "[ . 1 . 2]" 1
1334 1 70 GLY H 1 71 ILE HB . . 5.500 5.050 4.908 5.201 . 0 0 "[ . 1 . 2]" 1
1335 1 70 GLY H 1 72 GLU H . . 4.530 4.209 4.075 4.392 . 0 0 "[ . 1 . 2]" 1
1336 1 70 GLY H 1 73 LYS QD . . 5.500 4.441 4.063 5.152 . 0 0 "[ . 1 . 2]" 1
1337 1 70 GLY HA2 1 71 ILE HG13 . . 5.500 5.307 5.238 5.371 . 0 0 "[ . 1 . 2]" 1
1338 1 70 GLY HA2 1 73 LYS H . . 4.210 3.728 3.612 3.891 . 0 0 "[ . 1 . 2]" 1
1339 1 70 GLY HA2 1 73 LYS HB2 . . 4.250 3.027 2.864 3.225 . 0 0 "[ . 1 . 2]" 1
1340 1 70 GLY HA2 1 73 LYS HB3 . . 4.890 4.622 4.437 4.849 . 0 0 "[ . 1 . 2]" 1
1341 1 70 GLY HA2 1 73 LYS QD . . 4.400 2.564 2.230 2.912 . 0 0 "[ . 1 . 2]" 1
1342 1 70 GLY HA2 1 73 LYS QG . . 5.340 4.081 3.837 4.458 . 0 0 "[ . 1 . 2]" 1
1343 1 70 GLY HA2 1 74 ALA H . . 4.680 4.401 4.227 4.529 . 0 0 "[ . 1 . 2]" 1
1344 1 70 GLY HA2 1 74 ALA MB . . 5.500 4.958 4.743 5.160 . 0 0 "[ . 1 . 2]" 1
1345 1 70 GLY HA3 1 71 ILE HG13 . . 5.020 4.000 3.938 4.094 . 0 0 "[ . 1 . 2]" 1
1346 1 70 GLY HA3 1 73 LYS HB2 . . 4.700 4.527 4.347 4.704 0.004 4 0 "[ . 1 . 2]" 1
1347 1 70 GLY HA3 1 73 LYS QD . . 4.930 4.184 3.856 4.548 . 0 0 "[ . 1 . 2]" 1
1348 1 71 ILE H 1 71 ILE HB . . 3.150 2.600 2.569 2.642 . 0 0 "[ . 1 . 2]" 1
1349 1 71 ILE H 1 71 ILE MD . . 3.640 3.448 3.357 3.531 . 0 0 "[ . 1 . 2]" 1
1350 1 71 ILE H 1 71 ILE HG12 . . 3.430 3.313 3.205 3.381 . 0 0 "[ . 1 . 2]" 1
1351 1 71 ILE H 1 71 ILE HG13 . . 3.190 1.969 1.907 2.028 . 0 0 "[ . 1 . 2]" 1
1352 1 71 ILE H 1 71 ILE MG . . 3.820 3.764 3.764 3.766 . 0 0 "[ . 1 . 2]" 1
1353 1 71 ILE H 1 72 GLU H . . 3.410 2.816 2.728 2.874 . 0 0 "[ . 1 . 2]" 1
1354 1 71 ILE H 1 72 GLU HB2 . . 4.970 4.748 4.677 4.814 . 0 0 "[ . 1 . 2]" 1
1355 1 71 ILE HA 1 71 ILE MD . . 3.890 3.859 3.836 3.876 . 0 0 "[ . 1 . 2]" 1
1356 1 71 ILE HA 1 71 ILE HG13 . . 3.660 2.959 2.895 3.035 . 0 0 "[ . 1 . 2]" 1
1357 1 71 ILE HA 1 71 ILE MG . . 3.420 2.300 2.269 2.346 . 0 0 "[ . 1 . 2]" 1
1358 1 71 ILE HA 1 72 GLU HA . . 5.290 4.843 4.817 4.870 . 0 0 "[ . 1 . 2]" 1
1359 1 71 ILE HA 1 73 LYS H . . 4.900 4.588 4.406 4.850 . 0 0 "[ . 1 . 2]" 1
1360 1 71 ILE HA 1 74 ALA H . . 3.930 3.661 3.525 3.805 . 0 0 "[ . 1 . 2]" 1
1361 1 71 ILE HA 1 74 ALA MB . . 3.640 2.885 2.674 3.032 . 0 0 "[ . 1 . 2]" 1
1362 1 71 ILE HA 1 75 ARG H . . 4.820 3.995 3.928 4.098 . 0 0 "[ . 1 . 2]" 1
1363 1 71 ILE HB 1 71 ILE MD . . 3.340 2.344 2.244 2.408 . 0 0 "[ . 1 . 2]" 1
1364 1 71 ILE HB 1 72 GLU H . . 3.410 2.528 2.353 2.657 . 0 0 "[ . 1 . 2]" 1
1365 1 71 ILE MD 1 72 GLU H . . 4.620 4.442 4.251 4.547 . 0 0 "[ . 1 . 2]" 1
1366 1 71 ILE HG13 1 71 ILE MG . . 3.630 3.191 3.185 3.201 . 0 0 "[ . 1 . 2]" 1
1367 1 71 ILE HG13 1 72 GLU H . . 4.190 4.169 4.127 4.191 0.001 5 0 "[ . 1 . 2]" 1
1368 1 71 ILE MG 1 72 GLU H . . 3.790 3.423 3.226 3.555 . 0 0 "[ . 1 . 2]" 1
1369 1 71 ILE MG 1 72 GLU HA . . 3.830 3.514 3.367 3.627 . 0 0 "[ . 1 . 2]" 1
1370 1 71 ILE MG 1 74 ALA MB . . 4.090 3.709 3.494 3.835 . 0 0 "[ . 1 . 2]" 1
1371 1 71 ILE MG 1 75 ARG QD . . 4.460 2.879 2.430 4.195 . 0 0 "[ . 1 . 2]" 1
1372 1 72 GLU H 1 72 GLU HB2 . . 3.060 2.302 2.224 2.435 . 0 0 "[ . 1 . 2]" 1
1373 1 72 GLU H 1 72 GLU HB3 . . 3.750 3.550 3.518 3.588 . 0 0 "[ . 1 . 2]" 1
1374 1 72 GLU H 1 72 GLU HG2 . . 3.920 3.146 2.463 3.891 . 0 0 "[ . 1 . 2]" 1
1375 1 72 GLU H 1 72 GLU QG . . 3.330 2.596 2.285 3.330 0.000 16 0 "[ . 1 . 2]" 1
1376 1 72 GLU H 1 72 GLU HG3 . . 3.920 3.220 2.311 3.916 . 0 0 "[ . 1 . 2]" 1
1377 1 72 GLU H 1 75 ARG H . . 4.700 4.610 4.563 4.641 . 0 0 "[ . 1 . 2]" 1
1378 1 72 GLU H 1 75 ARG HB2 . . 5.220 4.702 4.538 4.840 . 0 0 "[ . 1 . 2]" 1
1379 1 72 GLU HA 1 72 GLU HG2 . . 4.190 2.601 2.259 3.675 . 0 0 "[ . 1 . 2]" 1
1380 1 72 GLU HA 1 72 GLU QG . . 3.650 2.463 2.194 2.772 . 0 0 "[ . 1 . 2]" 1
1381 1 72 GLU HA 1 72 GLU HG3 . . 4.190 3.264 2.689 3.712 . 0 0 "[ . 1 . 2]" 1
1382 1 72 GLU HA 1 74 ALA H . . 4.850 4.736 4.458 4.849 . 0 0 "[ . 1 . 2]" 1
1383 1 72 GLU HA 1 75 ARG H . . 3.910 3.476 3.391 3.551 . 0 0 "[ . 1 . 2]" 1
1384 1 72 GLU HA 1 75 ARG HB2 . . 3.590 2.989 2.773 3.109 . 0 0 "[ . 1 . 2]" 1
1385 1 72 GLU HA 1 75 ARG HB3 . . 3.790 2.793 2.643 2.944 . 0 0 "[ . 1 . 2]" 1
1386 1 72 GLU HA 1 76 HIS H . . 4.090 3.999 3.888 4.094 0.004 18 0 "[ . 1 . 2]" 1
1387 1 72 GLU HB2 1 73 LYS H . . 3.440 2.558 2.437 2.697 . 0 0 "[ . 1 . 2]" 1
1388 1 72 GLU HB2 1 75 ARG H . . 5.500 5.468 5.385 5.504 0.004 8 0 "[ . 1 . 2]" 1
1389 1 72 GLU HB3 1 73 LYS H . . 3.320 3.190 2.913 3.320 0.000 11 0 "[ . 1 . 2]" 1
1390 1 72 GLU HB3 1 75 ARG H . . 5.500 5.254 5.149 5.333 . 0 0 "[ . 1 . 2]" 1
1391 1 72 GLU QG 1 73 LYS H . . 4.360 4.210 4.113 4.362 0.002 16 0 "[ . 1 . 2]" 1
1392 1 72 GLU HG2 1 73 LYS H . . 5.070 4.746 4.498 4.984 . 0 0 "[ . 1 . 2]" 1
1393 1 72 GLU HG3 1 73 LYS H . . 5.070 4.738 4.433 5.007 . 0 0 "[ . 1 . 2]" 1
1394 1 73 LYS H 1 73 LYS HB2 . . 3.030 2.327 2.252 2.420 . 0 0 "[ . 1 . 2]" 1
1395 1 73 LYS H 1 73 LYS HB3 . . 3.670 3.559 3.531 3.586 . 0 0 "[ . 1 . 2]" 1
1396 1 73 LYS H 1 73 LYS QD . . 4.150 3.339 1.923 3.815 . 0 0 "[ . 1 . 2]" 1
1397 1 73 LYS H 1 73 LYS QG . . 3.200 2.590 2.358 3.207 0.007 9 0 "[ . 1 . 2]" 1
1398 1 73 LYS H 1 74 ALA H . . 3.170 2.913 2.787 3.044 . 0 0 "[ . 1 . 2]" 1
1399 1 73 LYS H 1 75 ARG H . . 4.580 4.050 3.950 4.214 . 0 0 "[ . 1 . 2]" 1
1400 1 73 LYS HA 1 73 LYS QD . . 4.100 3.954 3.132 4.105 0.005 3 0 "[ . 1 . 2]" 1
1401 1 73 LYS HA 1 73 LYS HG2 . . 3.690 2.747 2.509 3.488 . 0 0 "[ . 1 . 2]" 1
1402 1 73 LYS HA 1 73 LYS HG3 . . 3.690 2.596 2.200 2.770 . 0 0 "[ . 1 . 2]" 1
1403 1 73 LYS HA 1 76 HIS H . . 3.730 3.559 3.508 3.632 . 0 0 "[ . 1 . 2]" 1
1404 1 73 LYS HA 1 76 HIS HB2 . . 4.030 3.567 3.437 3.800 . 0 0 "[ . 1 . 2]" 1
1405 1 73 LYS HA 1 76 HIS HB3 . . 3.780 3.152 2.924 3.332 . 0 0 "[ . 1 . 2]" 1
1406 1 73 LYS HA 1 77 GLU H . . 4.470 4.342 4.188 4.464 . 0 0 "[ . 1 . 2]" 1
1407 1 73 LYS HB2 1 73 LYS QD . . 3.670 2.240 2.126 2.384 . 0 0 "[ . 1 . 2]" 1
1408 1 73 LYS HB2 1 73 LYS QE . . 4.060 3.604 2.611 4.059 . 0 0 "[ . 1 . 2]" 1
1409 1 73 LYS HB2 1 74 ALA H . . 3.340 2.472 2.322 2.674 . 0 0 "[ . 1 . 2]" 1
1410 1 73 LYS HB2 1 74 ALA HA . . 4.860 4.547 4.415 4.623 . 0 0 "[ . 1 . 2]" 1
1411 1 73 LYS HB3 1 73 LYS QD . . 3.420 2.766 2.402 3.226 . 0 0 "[ . 1 . 2]" 1
1412 1 73 LYS HB3 1 74 ALA H . . 3.350 3.140 2.980 3.346 . 0 0 "[ . 1 . 2]" 1
1413 1 73 LYS HB3 1 74 ALA HA . . 4.710 4.078 4.002 4.154 . 0 0 "[ . 1 . 2]" 1
1414 1 73 LYS HB3 1 76 HIS HB3 . . 5.320 5.137 4.974 5.265 . 0 0 "[ . 1 . 2]" 1
1415 1 73 LYS QD 1 74 ALA H . . 5.280 4.397 4.114 4.730 . 0 0 "[ . 1 . 2]" 1
1416 1 73 LYS QE 1 73 LYS QG . . 3.450 2.260 2.054 2.666 . 0 0 "[ . 1 . 2]" 1
1417 1 73 LYS QG 1 74 ALA H . . 4.840 4.224 4.135 4.380 . 0 0 "[ . 1 . 2]" 1
1418 1 74 ALA H 1 74 ALA MB . . 2.910 2.073 2.026 2.173 . 0 0 "[ . 1 . 2]" 1
1419 1 74 ALA H 1 75 ARG H . . 3.330 2.654 2.548 2.741 . 0 0 "[ . 1 . 2]" 1
1420 1 74 ALA H 1 76 HIS H . . 4.610 4.118 3.980 4.237 . 0 0 "[ . 1 . 2]" 1
1421 1 74 ALA HA 1 77 GLU H . . 3.700 3.416 3.358 3.517 . 0 0 "[ . 1 . 2]" 1
1422 1 74 ALA HA 1 77 GLU HB2 . . 3.400 2.731 2.603 2.806 . 0 0 "[ . 1 . 2]" 1
1423 1 74 ALA HA 1 77 GLU HB3 . . 4.450 4.387 4.231 4.452 0.002 3 0 "[ . 1 . 2]" 1
1424 1 74 ALA HA 1 77 GLU HG2 . . 4.270 3.849 3.643 3.972 . 0 0 "[ . 1 . 2]" 1
1425 1 74 ALA HA 1 77 GLU HG3 . . 4.060 3.708 3.492 3.858 . 0 0 "[ . 1 . 2]" 1
1426 1 74 ALA HA 1 78 VAL H . . 4.230 3.775 3.634 3.998 . 0 0 "[ . 1 . 2]" 1
1427 1 74 ALA HA 1 78 VAL HB . . 5.150 4.584 4.442 4.739 . 0 0 "[ . 1 . 2]" 1
1428 1 74 ALA MB 1 75 ARG H . . 3.260 2.754 2.543 2.825 . 0 0 "[ . 1 . 2]" 1
1429 1 74 ALA MB 1 75 ARG HA . . 3.810 3.775 3.706 3.836 0.026 8 0 "[ . 1 . 2]" 1
1430 1 74 ALA MB 1 76 HIS H . . 4.640 4.510 4.389 4.624 . 0 0 "[ . 1 . 2]" 1
1431 1 74 ALA MB 1 77 GLU H . . 4.730 4.565 4.511 4.656 . 0 0 "[ . 1 . 2]" 1
1432 1 74 ALA MB 1 77 GLU HG2 . . 5.350 5.240 5.059 5.345 . 0 0 "[ . 1 . 2]" 1
1433 1 74 ALA MB 1 77 GLU HG3 . . 5.200 5.045 4.857 5.167 . 0 0 "[ . 1 . 2]" 1
1434 1 74 ALA MB 1 78 VAL H . . 4.470 4.330 4.223 4.458 . 0 0 "[ . 1 . 2]" 1
1435 1 74 ALA MB 1 78 VAL MG1 . . 4.380 4.005 3.785 4.266 . 0 0 "[ . 1 . 2]" 1
1436 1 75 ARG H 1 75 ARG HB2 . . 3.190 2.243 2.220 2.268 . 0 0 "[ . 1 . 2]" 1
1437 1 75 ARG H 1 75 ARG HB3 . . 3.250 2.864 2.826 2.885 . 0 0 "[ . 1 . 2]" 1
1438 1 75 ARG H 1 75 ARG QD . . 4.560 4.356 4.164 4.615 0.055 8 0 "[ . 1 . 2]" 1
1439 1 75 ARG H 1 75 ARG HG2 . . 4.940 4.554 4.442 4.618 . 0 0 "[ . 1 . 2]" 1
1440 1 75 ARG H 1 75 ARG QG . . 4.310 3.874 3.854 3.919 . 0 0 "[ . 1 . 2]" 1
1441 1 75 ARG H 1 75 ARG HG3 . . 4.940 4.196 4.161 4.246 . 0 0 "[ . 1 . 2]" 1
1442 1 75 ARG H 1 76 HIS H . . 3.370 2.570 2.519 2.615 . 0 0 "[ . 1 . 2]" 1
1443 1 75 ARG H 1 76 HIS HA . . 5.400 5.202 5.162 5.238 . 0 0 "[ . 1 . 2]" 1
1444 1 75 ARG H 1 77 GLU H . . 4.800 4.028 3.888 4.258 . 0 0 "[ . 1 . 2]" 1
1445 1 75 ARG H 1 78 VAL H . . 5.250 4.745 4.662 4.851 . 0 0 "[ . 1 . 2]" 1
1446 1 75 ARG H 1 78 VAL HB . . 5.500 5.449 5.342 5.501 0.001 1 0 "[ . 1 . 2]" 1
1447 1 75 ARG HA 1 75 ARG QD . . 4.700 3.919 3.753 4.012 . 0 0 "[ . 1 . 2]" 1
1448 1 75 ARG HA 1 75 ARG HG2 . . 3.920 2.823 2.425 3.119 . 0 0 "[ . 1 . 2]" 1
1449 1 75 ARG HA 1 75 ARG QG . . 3.380 2.257 2.183 2.320 . 0 0 "[ . 1 . 2]" 1
1450 1 75 ARG HA 1 75 ARG HG3 . . 3.920 2.423 2.231 2.793 . 0 0 "[ . 1 . 2]" 1
1451 1 75 ARG HA 1 76 HIS HA . . 4.900 4.735 4.714 4.766 . 0 0 "[ . 1 . 2]" 1
1452 1 75 ARG HA 1 77 GLU H . . 4.700 4.301 4.043 4.671 . 0 0 "[ . 1 . 2]" 1
1453 1 75 ARG HA 1 78 VAL H . . 4.360 3.669 3.469 3.829 . 0 0 "[ . 1 . 2]" 1
1454 1 75 ARG HA 1 78 VAL HB . . 3.920 3.766 3.565 3.873 . 0 0 "[ . 1 . 2]" 1
1455 1 75 ARG HA 1 78 VAL MG1 . . 3.270 2.051 1.927 2.141 . 0 0 "[ . 1 . 2]" 1
1456 1 75 ARG HA 1 79 LEU H . . 4.140 3.956 3.674 4.135 . 0 0 "[ . 1 . 2]" 1
1457 1 75 ARG HA 1 79 LEU MD1 . . 5.400 3.813 3.603 4.065 . 0 0 "[ . 1 . 2]" 1
1458 1 75 ARG HB2 1 75 ARG QD . . 3.830 2.379 2.118 2.925 . 0 0 "[ . 1 . 2]" 1
1459 1 75 ARG HB2 1 76 HIS H . . 3.950 3.671 3.612 3.722 . 0 0 "[ . 1 . 2]" 1
1460 1 75 ARG HB2 1 76 HIS HA . . 5.500 5.501 5.477 5.514 0.014 9 0 "[ . 1 . 2]" 1
1461 1 75 ARG HB2 1 76 HIS HB2 . . 5.500 5.484 5.452 5.516 0.016 8 0 "[ . 1 . 2]" 1
1462 1 75 ARG HB3 1 75 ARG QD . . 3.400 2.553 2.080 3.100 . 0 0 "[ . 1 . 2]" 1
1463 1 75 ARG HB3 1 76 HIS H . . 3.830 2.799 2.622 2.918 . 0 0 "[ . 1 . 2]" 1
1464 1 75 ARG HB3 1 76 HIS HA . . 4.780 4.019 3.973 4.052 . 0 0 "[ . 1 . 2]" 1
1465 1 75 ARG HB3 1 78 VAL MG1 . . 4.370 4.309 4.217 4.372 0.002 8 0 "[ . 1 . 2]" 1
1466 1 75 ARG HB3 1 79 LEU MD1 . . 3.970 3.565 3.345 3.820 . 0 0 "[ . 1 . 2]" 1
1467 1 75 ARG QD 1 79 LEU MD1 . . 3.980 3.454 2.442 3.980 . 0 0 "[ . 1 . 2]" 1
1468 1 75 ARG QG 1 76 HIS H . . 4.410 4.221 4.105 4.298 . 0 0 "[ . 1 . 2]" 1
1469 1 75 ARG QG 1 79 LEU H . . 5.150 4.589 4.103 4.803 . 0 0 "[ . 1 . 2]" 1
1470 1 75 ARG QG 1 79 LEU MD1 . . 3.090 2.027 1.927 2.375 . 0 0 "[ . 1 . 2]" 1
1471 1 75 ARG QG 1 79 LEU HG . . 4.290 3.286 2.723 3.546 . 0 0 "[ . 1 . 2]" 1
1472 1 75 ARG HG2 1 78 VAL MG1 . . 4.550 3.520 2.997 3.867 . 0 0 "[ . 1 . 2]" 1
1473 1 75 ARG HG2 1 79 LEU MD1 . . 3.570 2.044 1.953 2.418 . 0 0 "[ . 1 . 2]" 1
1474 1 75 ARG HG3 1 78 VAL MG1 . . 4.550 3.328 2.998 3.706 . 0 0 "[ . 1 . 2]" 1
1475 1 75 ARG HG3 1 79 LEU MD1 . . 3.570 3.407 2.968 3.570 0.000 16 0 "[ . 1 . 2]" 1
1476 1 76 HIS H 1 76 HIS HB2 . . 3.050 2.440 2.379 2.515 . 0 0 "[ . 1 . 2]" 1
1477 1 76 HIS H 1 76 HIS HB3 . . 3.100 2.671 2.604 2.722 . 0 0 "[ . 1 . 2]" 1
1478 1 76 HIS H 1 76 HIS HD2 . . 5.310 5.291 5.208 5.311 0.001 3 0 "[ . 1 . 2]" 1
1479 1 76 HIS H 1 77 GLU H . . 3.390 2.494 2.422 2.571 . 0 0 "[ . 1 . 2]" 1
1480 1 76 HIS H 1 78 VAL H . . 4.660 4.189 4.038 4.312 . 0 0 "[ . 1 . 2]" 1
1481 1 76 HIS H 1 79 LEU H . . 5.100 4.716 4.573 4.795 . 0 0 "[ . 1 . 2]" 1
1482 1 76 HIS H 1 79 LEU MD1 . . 4.860 4.507 4.171 4.730 . 0 0 "[ . 1 . 2]" 1
1483 1 76 HIS HA 1 76 HIS HD2 . . 5.050 4.382 4.129 4.669 . 0 0 "[ . 1 . 2]" 1
1484 1 76 HIS HA 1 77 GLU HA . . 4.930 4.714 4.670 4.777 . 0 0 "[ . 1 . 2]" 1
1485 1 76 HIS HA 1 78 VAL H . . 4.930 4.776 4.590 4.888 . 0 0 "[ . 1 . 2]" 1
1486 1 76 HIS HA 1 79 LEU H . . 4.080 3.756 3.545 3.866 . 0 0 "[ . 1 . 2]" 1
1487 1 76 HIS HA 1 79 LEU HB2 . . 3.750 2.857 2.632 2.948 . 0 0 "[ . 1 . 2]" 1
1488 1 76 HIS HA 1 79 LEU HB3 . . 4.500 4.293 4.054 4.378 . 0 0 "[ . 1 . 2]" 1
1489 1 76 HIS HA 1 79 LEU MD1 . . 3.750 3.073 2.494 3.356 . 0 0 "[ . 1 . 2]" 1
1490 1 76 HIS HA 1 79 LEU HG . . 4.920 4.814 4.555 4.923 0.003 3 0 "[ . 1 . 2]" 1
1491 1 76 HIS HA 1 80 LEU H . . 4.470 4.014 3.885 4.132 . 0 0 "[ . 1 . 2]" 1
1492 1 76 HIS HA 1 80 LEU HG . . 4.570 4.077 3.836 4.398 . 0 0 "[ . 1 . 2]" 1
1493 1 76 HIS HB2 1 77 GLU H . . 4.010 3.853 3.683 3.976 . 0 0 "[ . 1 . 2]" 1
1494 1 76 HIS HB2 1 79 LEU HB2 . . 5.500 5.388 5.183 5.495 . 0 0 "[ . 1 . 2]" 1
1495 1 76 HIS HB3 1 77 GLU H . . 3.450 2.790 2.504 2.964 . 0 0 "[ . 1 . 2]" 1
1496 1 76 HIS HD2 1 77 GLU H . . 4.900 4.698 4.306 4.903 0.003 8 0 "[ . 1 . 2]" 1
1497 1 76 HIS HD2 1 77 GLU HA . . 4.760 4.306 3.865 4.761 0.001 12 0 "[ . 1 . 2]" 1
1498 1 76 HIS HD2 1 77 GLU HG2 . . 4.910 4.268 3.982 4.484 . 0 0 "[ . 1 . 2]" 1
1499 1 76 HIS HD2 1 80 LEU MD1 . . 4.090 2.283 1.932 3.103 . 0 0 "[ . 1 . 2]" 1
1500 1 76 HIS HE1 1 80 LEU MD1 . . 4.510 4.072 3.695 4.444 . 0 0 "[ . 1 . 2]" 1
1501 1 76 HIS HE1 1 80 LEU MD2 . . 4.840 4.238 3.655 4.759 . 0 0 "[ . 1 . 2]" 1
1502 1 77 GLU H 1 77 GLU HB2 . . 3.220 2.395 2.317 2.480 . 0 0 "[ . 1 . 2]" 1
1503 1 77 GLU H 1 77 GLU HB3 . . 3.660 3.592 3.565 3.608 . 0 0 "[ . 1 . 2]" 1
1504 1 77 GLU H 1 77 GLU HG2 . . 3.290 2.486 2.265 2.630 . 0 0 "[ . 1 . 2]" 1
1505 1 77 GLU H 1 77 GLU HG3 . . 4.120 3.718 3.564 3.881 . 0 0 "[ . 1 . 2]" 1
1506 1 77 GLU H 1 78 VAL H . . 3.320 2.543 2.418 2.702 . 0 0 "[ . 1 . 2]" 1
1507 1 77 GLU H 1 78 VAL MG1 . . 4.390 3.894 3.670 4.091 . 0 0 "[ . 1 . 2]" 1
1508 1 77 GLU H 1 79 LEU H . . 4.480 3.858 3.688 4.028 . 0 0 "[ . 1 . 2]" 1
1509 1 77 GLU H 1 80 LEU HB2 . . 5.040 4.861 4.776 4.978 . 0 0 "[ . 1 . 2]" 1
1510 1 77 GLU HA 1 77 GLU HG2 . . 4.010 2.906 2.830 3.016 . 0 0 "[ . 1 . 2]" 1
1511 1 77 GLU HA 1 77 GLU HG3 . . 4.240 3.738 3.701 3.785 . 0 0 "[ . 1 . 2]" 1
1512 1 77 GLU HA 1 78 VAL HA . . 5.160 4.795 4.772 4.821 . 0 0 "[ . 1 . 2]" 1
1513 1 77 GLU HA 1 80 LEU H . . 3.900 3.436 3.315 3.551 . 0 0 "[ . 1 . 2]" 1
1514 1 77 GLU HA 1 80 LEU HB2 . . 3.440 2.529 2.438 2.602 . 0 0 "[ . 1 . 2]" 1
1515 1 77 GLU HA 1 80 LEU HB3 . . 4.140 4.066 3.956 4.140 . 0 0 "[ . 1 . 2]" 1
1516 1 77 GLU HA 1 80 LEU MD1 . . 3.580 2.806 2.578 3.251 . 0 0 "[ . 1 . 2]" 1
1517 1 77 GLU HA 1 80 LEU HG . . 4.200 4.101 3.997 4.201 0.001 9 0 "[ . 1 . 2]" 1
1518 1 77 GLU HA 1 81 ILE H . . 4.170 4.019 3.918 4.104 . 0 0 "[ . 1 . 2]" 1
1519 1 77 GLU HB2 1 78 VAL H . . 4.390 2.494 2.394 2.603 . 0 0 "[ . 1 . 2]" 1
1520 1 77 GLU HB3 1 78 VAL H . . 4.320 3.444 3.315 3.542 . 0 0 "[ . 1 . 2]" 1
1521 1 77 GLU HB3 1 80 LEU H . . 5.500 5.356 5.201 5.477 . 0 0 "[ . 1 . 2]" 1
1522 1 77 GLU HG2 1 78 VAL H . . 4.750 4.359 4.214 4.499 . 0 0 "[ . 1 . 2]" 1
1523 1 77 GLU HG2 1 81 ILE MD . . 5.420 5.344 5.115 5.420 . 0 0 "[ . 1 . 2]" 1
1524 1 77 GLU HG3 1 81 ILE MD . . 4.960 4.876 4.739 4.959 . 0 0 "[ . 1 . 2]" 1
1525 1 78 VAL H 1 78 VAL HB . . 2.910 2.376 2.310 2.449 . 0 0 "[ . 1 . 2]" 1
1526 1 78 VAL H 1 78 VAL MG1 . . 2.990 2.362 2.205 2.503 . 0 0 "[ . 1 . 2]" 1
1527 1 78 VAL H 1 78 VAL MG2 . . 3.820 3.725 3.693 3.751 . 0 0 "[ . 1 . 2]" 1
1528 1 78 VAL H 1 79 LEU H . . 3.320 2.666 2.595 2.757 . 0 0 "[ . 1 . 2]" 1
1529 1 78 VAL H 1 79 LEU HB2 . . 4.810 4.618 4.535 4.718 . 0 0 "[ . 1 . 2]" 1
1530 1 78 VAL H 1 79 LEU HG . . 5.500 5.182 5.077 5.362 . 0 0 "[ . 1 . 2]" 1
1531 1 78 VAL H 1 80 LEU H . . 4.440 4.190 4.057 4.369 . 0 0 "[ . 1 . 2]" 1
1532 1 78 VAL H 1 80 LEU HB2 . . 5.500 5.043 4.941 5.165 . 0 0 "[ . 1 . 2]" 1
1533 1 78 VAL HA 1 78 VAL MG1 . . 3.610 3.188 3.170 3.199 . 0 0 "[ . 1 . 2]" 1
1534 1 78 VAL HA 1 78 VAL MG2 . . 3.290 2.252 2.115 2.348 . 0 0 "[ . 1 . 2]" 1
1535 1 78 VAL HA 1 79 LEU HA . . 5.500 4.721 4.684 4.752 . 0 0 "[ . 1 . 2]" 1
1536 1 78 VAL HA 1 80 LEU H . . 4.820 4.562 4.381 4.746 . 0 0 "[ . 1 . 2]" 1
1537 1 78 VAL HA 1 81 ILE H . . 3.880 3.809 3.720 3.881 0.001 1 0 "[ . 1 . 2]" 1
1538 1 78 VAL HA 1 81 ILE HB . . 3.600 3.230 3.077 3.345 . 0 0 "[ . 1 . 2]" 1
1539 1 78 VAL HA 1 81 ILE MD . . 3.490 2.609 2.129 2.914 . 0 0 "[ . 1 . 2]" 1
1540 1 78 VAL HA 1 81 ILE HG12 . . 5.390 5.220 5.014 5.384 . 0 0 "[ . 1 . 2]" 1
1541 1 78 VAL HA 1 82 SER H . . 4.430 4.083 3.912 4.296 . 0 0 "[ . 1 . 2]" 1
1542 1 78 VAL HB 1 79 LEU H . . 4.010 3.833 3.676 3.948 . 0 0 "[ . 1 . 2]" 1
1543 1 78 VAL MG1 1 79 LEU H . . 4.280 2.009 1.875 2.263 . 0 0 "[ . 1 . 2]" 1
1544 1 78 VAL MG1 1 79 LEU HA . . 4.350 3.115 2.940 3.242 . 0 0 "[ . 1 . 2]" 1
1545 1 78 VAL MG1 1 79 LEU HB2 . . 4.240 3.342 3.266 3.424 . 0 0 "[ . 1 . 2]" 1
1546 1 78 VAL MG1 1 79 LEU HG . . 3.160 2.473 2.379 2.540 . 0 0 "[ . 1 . 2]" 1
1547 1 78 VAL MG2 1 79 LEU H . . 3.990 3.883 3.789 3.969 . 0 0 "[ . 1 . 2]" 1
1548 1 78 VAL MG2 1 79 LEU HA . . 4.710 4.010 3.817 4.157 . 0 0 "[ . 1 . 2]" 1
1549 1 79 LEU H 1 79 LEU HB2 . . 3.180 2.197 2.171 2.237 . 0 0 "[ . 1 . 2]" 1
1550 1 79 LEU H 1 79 LEU HB3 . . 3.700 3.502 3.484 3.529 . 0 0 "[ . 1 . 2]" 1
1551 1 79 LEU H 1 79 LEU MD1 . . 4.210 3.611 3.351 3.797 . 0 0 "[ . 1 . 2]" 1
1552 1 79 LEU H 1 79 LEU MD2 . . 4.690 4.065 3.957 4.129 . 0 0 "[ . 1 . 2]" 1
1553 1 79 LEU H 1 79 LEU HG . . 3.150 3.011 2.897 3.104 . 0 0 "[ . 1 . 2]" 1
1554 1 79 LEU H 1 80 LEU H . . 3.270 2.496 2.387 2.572 . 0 0 "[ . 1 . 2]" 1
1555 1 79 LEU H 1 81 ILE H . . 4.830 4.140 3.960 4.325 . 0 0 "[ . 1 . 2]" 1
1556 1 79 LEU HA 1 79 LEU MD1 . . 4.060 3.828 3.817 3.843 . 0 0 "[ . 1 . 2]" 1
1557 1 79 LEU HA 1 79 LEU MD2 . . 3.050 2.274 1.990 2.593 . 0 0 "[ . 1 . 2]" 1
1558 1 79 LEU HA 1 79 LEU HG . . 3.370 2.662 2.576 2.740 . 0 0 "[ . 1 . 2]" 1
1559 1 79 LEU HA 1 83 ALA H . . 4.270 3.800 3.703 3.980 . 0 0 "[ . 1 . 2]" 1
1560 1 79 LEU HB2 1 79 LEU MD1 . . 3.380 2.142 1.981 2.299 . 0 0 "[ . 1 . 2]" 1
1561 1 79 LEU HB2 1 79 LEU MD2 . . 3.620 3.163 3.117 3.184 . 0 0 "[ . 1 . 2]" 1
1562 1 79 LEU HB2 1 80 LEU H . . 3.470 2.768 2.590 2.887 . 0 0 "[ . 1 . 2]" 1
1563 1 79 LEU HB3 1 79 LEU MD1 . . 3.310 2.517 2.389 2.670 . 0 0 "[ . 1 . 2]" 1
1564 1 79 LEU HB3 1 79 LEU MD2 . . 3.290 2.200 2.017 2.357 . 0 0 "[ . 1 . 2]" 1
1565 1 79 LEU HB3 1 80 LEU H . . 3.840 3.341 3.196 3.463 . 0 0 "[ . 1 . 2]" 1
1566 1 79 LEU MD1 1 80 LEU H . . 4.630 4.517 4.247 4.620 . 0 0 "[ . 1 . 2]" 1
1567 1 80 LEU H 1 80 LEU HB2 . . 3.040 2.196 2.168 2.224 . 0 0 "[ . 1 . 2]" 1
1568 1 80 LEU H 1 80 LEU HB3 . . 3.660 3.502 3.485 3.519 . 0 0 "[ . 1 . 2]" 1
1569 1 80 LEU H 1 80 LEU MD1 . . 4.160 3.710 3.560 3.865 . 0 0 "[ . 1 . 2]" 1
1570 1 80 LEU H 1 80 LEU MD2 . . 4.390 3.866 3.734 3.940 . 0 0 "[ . 1 . 2]" 1
1571 1 80 LEU H 1 80 LEU HG . . 3.370 2.867 2.793 2.968 . 0 0 "[ . 1 . 2]" 1
1572 1 80 LEU H 1 81 ILE H . . 3.320 2.735 2.664 2.836 . 0 0 "[ . 1 . 2]" 1
1573 1 80 LEU H 1 81 ILE HA . . 5.400 5.330 5.266 5.402 0.002 8 0 "[ . 1 . 2]" 1
1574 1 80 LEU H 1 82 SER H . . 4.550 4.425 4.185 4.550 0.000 13 0 "[ . 1 . 2]" 1
1575 1 80 LEU HA 1 80 LEU MD1 . . 3.990 3.817 3.792 3.831 . 0 0 "[ . 1 . 2]" 1
1576 1 80 LEU HA 1 80 LEU MD2 . . 3.280 2.046 1.974 2.217 . 0 0 "[ . 1 . 2]" 1
1577 1 80 LEU HA 1 80 LEU HG . . 3.800 2.765 2.683 2.878 . 0 0 "[ . 1 . 2]" 1
1578 1 80 LEU HA 1 83 ALA MB . . 3.040 2.699 2.430 2.954 . 0 0 "[ . 1 . 2]" 1
1579 1 80 LEU HA 1 84 GLU H . . 4.190 4.126 3.941 4.190 0.000 13 0 "[ . 1 . 2]" 1
1580 1 80 LEU HB2 1 80 LEU MD1 . . 3.580 2.248 2.120 2.373 . 0 0 "[ . 1 . 2]" 1
1581 1 80 LEU HB2 1 81 ILE H . . 3.700 2.701 2.554 2.819 . 0 0 "[ . 1 . 2]" 1
1582 1 80 LEU HB3 1 80 LEU MD1 . . 3.570 2.417 2.251 2.509 . 0 0 "[ . 1 . 2]" 1
1583 1 80 LEU HB3 1 80 LEU MD2 . . 3.350 2.316 2.224 2.360 . 0 0 "[ . 1 . 2]" 1
1584 1 80 LEU HB3 1 81 ILE H . . 3.740 3.205 3.055 3.321 . 0 0 "[ . 1 . 2]" 1
1585 1 80 LEU HB3 1 81 ILE HA . . 4.950 4.023 3.969 4.070 . 0 0 "[ . 1 . 2]" 1
1586 1 80 LEU HB3 1 81 ILE HG13 . . 4.660 3.749 3.601 3.915 . 0 0 "[ . 1 . 2]" 1
1587 1 80 LEU MD2 1 83 ALA H . . 5.480 5.201 5.046 5.384 . 0 0 "[ . 1 . 2]" 1
1588 1 80 LEU MD2 1 84 GLU H . . 5.430 4.746 4.578 4.860 . 0 0 "[ . 1 . 2]" 1
1589 1 80 LEU HG 1 81 ILE H . . 5.030 4.744 4.674 4.805 . 0 0 "[ . 1 . 2]" 1
1590 1 81 ILE H 1 81 ILE HB . . 2.920 2.530 2.462 2.615 . 0 0 "[ . 1 . 2]" 1
1591 1 81 ILE H 1 81 ILE MD . . 3.530 3.221 3.095 3.345 . 0 0 "[ . 1 . 2]" 1
1592 1 81 ILE H 1 81 ILE HG12 . . 3.840 3.623 3.472 3.760 . 0 0 "[ . 1 . 2]" 1
1593 1 81 ILE H 1 81 ILE HG13 . . 3.050 2.142 1.956 2.300 . 0 0 "[ . 1 . 2]" 1
1594 1 81 ILE H 1 81 ILE MG . . 3.790 3.762 3.754 3.769 . 0 0 "[ . 1 . 2]" 1
1595 1 81 ILE H 1 82 SER H . . 3.380 2.788 2.599 2.972 . 0 0 "[ . 1 . 2]" 1
1596 1 81 ILE H 1 83 ALA H . . 4.430 4.113 3.855 4.419 . 0 0 "[ . 1 . 2]" 1
1597 1 81 ILE HA 1 81 ILE MD . . 3.980 3.879 3.847 3.914 . 0 0 "[ . 1 . 2]" 1
1598 1 81 ILE HA 1 81 ILE HG12 . . 3.490 2.774 2.695 2.824 . 0 0 "[ . 1 . 2]" 1
1599 1 81 ILE HA 1 81 ILE HG13 . . 3.390 2.727 2.649 2.859 . 0 0 "[ . 1 . 2]" 1
1600 1 81 ILE HA 1 81 ILE MG . . 3.290 2.395 2.260 2.466 . 0 0 "[ . 1 . 2]" 1
1601 1 81 ILE HA 1 83 ALA H . . 4.840 4.497 4.176 4.807 . 0 0 "[ . 1 . 2]" 1
1602 1 81 ILE HA 1 84 GLU H . . 4.080 3.710 3.578 3.843 . 0 0 "[ . 1 . 2]" 1
1603 1 81 ILE HA 1 84 GLU HB2 . . 4.080 2.947 2.765 3.139 . 0 0 "[ . 1 . 2]" 1
1604 1 81 ILE HA 1 84 GLU HB3 . . 4.750 4.524 4.328 4.732 . 0 0 "[ . 1 . 2]" 1
1605 1 81 ILE HA 1 84 GLU HG2 . . 5.240 4.525 4.091 5.211 . 0 0 "[ . 1 . 2]" 1
1606 1 81 ILE HA 1 84 GLU QG . . 4.430 3.614 3.348 3.877 . 0 0 "[ . 1 . 2]" 1
1607 1 81 ILE HA 1 84 GLU HG3 . . 5.240 3.823 3.482 4.215 . 0 0 "[ . 1 . 2]" 1
1608 1 81 ILE HA 1 85 GLN H . . 4.640 4.546 4.342 4.638 . 0 0 "[ . 1 . 2]" 1
1609 1 81 ILE HB 1 81 ILE MD . . 3.340 2.155 2.100 2.266 . 0 0 "[ . 1 . 2]" 1
1610 1 81 ILE HB 1 82 SER H . . 3.350 2.309 2.181 2.564 . 0 0 "[ . 1 . 2]" 1
1611 1 81 ILE HB 1 82 SER HA . . 4.360 4.202 4.101 4.285 . 0 0 "[ . 1 . 2]" 1
1612 1 81 ILE HB 1 82 SER QB . . 4.930 4.201 3.931 4.602 . 0 0 "[ . 1 . 2]" 1
1613 1 81 ILE HB 1 83 ALA H . . 5.020 4.867 4.676 5.012 . 0 0 "[ . 1 . 2]" 1
1614 1 81 ILE HB 1 85 GLN HE21 . . 5.500 5.152 4.538 5.496 . 0 0 "[ . 1 . 2]" 1
1615 1 81 ILE MD 1 81 ILE MG . . 2.840 2.404 2.275 2.498 . 0 0 "[ . 1 . 2]" 1
1616 1 81 ILE MD 1 82 SER H . . 4.330 4.068 3.938 4.234 . 0 0 "[ . 1 . 2]" 1
1617 1 81 ILE HG12 1 81 ILE MG . . 3.450 2.145 2.063 2.288 . 0 0 "[ . 1 . 2]" 1
1618 1 81 ILE HG13 1 81 ILE MG . . 3.280 3.149 3.133 3.175 . 0 0 "[ . 1 . 2]" 1
1619 1 81 ILE MG 1 82 SER H . . 3.590 3.192 3.012 3.359 . 0 0 "[ . 1 . 2]" 1
1620 1 81 ILE MG 1 82 SER HA . . 4.140 3.363 3.131 3.513 . 0 0 "[ . 1 . 2]" 1
1621 1 81 ILE MG 1 83 ALA H . . 5.500 4.904 4.681 5.073 . 0 0 "[ . 1 . 2]" 1
1622 1 81 ILE MG 1 84 GLU H . . 5.500 4.788 4.607 4.978 . 0 0 "[ . 1 . 2]" 1
1623 1 81 ILE MG 1 85 GLN H . . 4.630 4.235 4.078 4.439 . 0 0 "[ . 1 . 2]" 1
1624 1 81 ILE MG 1 85 GLN HE21 . . 4.120 2.412 2.101 2.734 . 0 0 "[ . 1 . 2]" 1
1625 1 81 ILE MG 1 85 GLN HE22 . . 4.450 3.727 3.074 4.058 . 0 0 "[ . 1 . 2]" 1
1626 1 81 ILE MG 1 85 GLN HG2 . . 4.280 3.029 2.744 3.381 . 0 0 "[ . 1 . 2]" 1
1627 1 81 ILE MG 1 85 GLN HG3 . . 4.680 3.642 3.342 3.978 . 0 0 "[ . 1 . 2]" 1
1628 1 82 SER H 1 82 SER QB . . 3.280 2.484 2.186 2.669 . 0 0 "[ . 1 . 2]" 1
1629 1 82 SER H 1 83 ALA H . . 3.310 2.790 2.631 2.998 . 0 0 "[ . 1 . 2]" 1
1630 1 82 SER H 1 83 ALA MB . . 4.550 4.363 4.234 4.484 . 0 0 "[ . 1 . 2]" 1
1631 1 82 SER H 1 84 GLU H . . 4.560 4.489 4.272 4.560 0.000 5 0 "[ . 1 . 2]" 1
1632 1 82 SER HA 1 83 ALA MB . . 5.480 5.012 4.996 5.030 . 0 0 "[ . 1 . 2]" 1
1633 1 82 SER HA 1 85 GLN H . . 3.900 3.623 3.379 3.832 . 0 0 "[ . 1 . 2]" 1
1634 1 82 SER HA 1 85 GLN HB2 . . 4.450 3.170 2.659 3.508 . 0 0 "[ . 1 . 2]" 1
1635 1 82 SER HA 1 85 GLN HB3 . . 4.920 4.575 4.135 4.876 . 0 0 "[ . 1 . 2]" 1
1636 1 82 SER HA 1 85 GLN HE21 . . 5.300 4.537 3.937 5.102 . 0 0 "[ . 1 . 2]" 1
1637 1 82 SER HA 1 85 GLN HG2 . . 3.820 2.828 2.244 3.220 . 0 0 "[ . 1 . 2]" 1
1638 1 82 SER HA 1 85 GLN HG3 . . 4.780 3.209 3.017 3.499 . 0 0 "[ . 1 . 2]" 1
1639 1 82 SER HA 1 86 ASP H . . 5.340 4.638 4.246 4.881 . 0 0 "[ . 1 . 2]" 1
1640 1 82 SER QB 1 83 ALA H . . 3.350 3.026 2.506 3.348 . 0 0 "[ . 1 . 2]" 1
1641 1 82 SER QB 1 83 ALA MB . . 4.660 4.258 3.810 4.528 . 0 0 "[ . 1 . 2]" 1
1642 1 82 SER QB 1 86 ASP H . . 5.500 5.142 4.622 5.450 . 0 0 "[ . 1 . 2]" 1
1643 1 83 ALA H 1 83 ALA MB . . 2.800 2.117 2.023 2.224 . 0 0 "[ . 1 . 2]" 1
1644 1 83 ALA H 1 84 GLU H . . 3.270 2.853 2.692 3.025 . 0 0 "[ . 1 . 2]" 1
1645 1 83 ALA H 1 84 GLU HB2 . . 5.200 4.694 4.490 4.863 . 0 0 "[ . 1 . 2]" 1
1646 1 83 ALA H 1 85 GLN H . . 4.600 4.233 3.947 4.339 . 0 0 "[ . 1 . 2]" 1
1647 1 83 ALA H 1 85 GLN HG2 . . 5.500 5.017 4.627 5.228 . 0 0 "[ . 1 . 2]" 1
1648 1 83 ALA H 1 86 ASP QB . . 5.450 5.131 4.807 5.419 . 0 0 "[ . 1 . 2]" 1
1649 1 83 ALA HA 1 85 GLN H . . 4.450 4.346 4.034 4.446 . 0 0 "[ . 1 . 2]" 1
1650 1 83 ALA HA 1 86 ASP H . . 3.870 3.487 3.337 3.637 . 0 0 "[ . 1 . 2]" 1
1651 1 83 ALA HA 1 86 ASP QB . . 3.590 2.891 2.499 3.206 . 0 0 "[ . 1 . 2]" 1
1652 1 83 ALA MB 1 84 GLU H . . 3.260 2.417 2.256 2.585 . 0 0 "[ . 1 . 2]" 1
1653 1 83 ALA MB 1 84 GLU HA . . 3.990 3.682 3.589 3.830 . 0 0 "[ . 1 . 2]" 1
1654 1 84 GLU H 1 84 GLU HB2 . . 3.090 2.283 2.192 2.479 . 0 0 "[ . 1 . 2]" 1
1655 1 84 GLU H 1 84 GLU HB3 . . 3.670 3.543 3.498 3.595 . 0 0 "[ . 1 . 2]" 1
1656 1 84 GLU H 1 84 GLU HG2 . . 3.920 2.867 2.585 3.774 . 0 0 "[ . 1 . 2]" 1
1657 1 84 GLU H 1 84 GLU HG3 . . 3.920 3.513 2.237 3.887 . 0 0 "[ . 1 . 2]" 1
1658 1 84 GLU H 1 85 GLN H . . 3.250 2.854 2.634 2.994 . 0 0 "[ . 1 . 2]" 1
1659 1 84 GLU H 1 85 GLN HB2 . . 5.200 5.085 4.830 5.188 . 0 0 "[ . 1 . 2]" 1
1660 1 84 GLU HA 1 84 GLU HG2 . . 4.150 2.535 2.264 2.736 . 0 0 "[ . 1 . 2]" 1
1661 1 84 GLU HA 1 84 GLU QG . . 3.590 2.474 2.214 2.660 . 0 0 "[ . 1 . 2]" 1
1662 1 84 GLU HA 1 84 GLU HG3 . . 4.150 3.530 2.736 3.679 . 0 0 "[ . 1 . 2]" 1
1663 1 84 GLU HA 1 86 ASP H . . 4.740 4.461 3.942 4.731 . 0 0 "[ . 1 . 2]" 1
1664 1 84 GLU HA 1 87 LYS H . . 3.980 3.596 3.059 3.821 . 0 0 "[ . 1 . 2]" 1
1665 1 84 GLU HA 1 87 LYS HB2 . . 4.060 3.777 3.097 4.083 0.023 12 0 "[ . 1 . 2]" 1
1666 1 84 GLU HA 1 87 LYS HB3 . . 4.060 3.479 2.760 4.013 . 0 0 "[ . 1 . 2]" 1
1667 1 84 GLU HB2 1 85 GLN H . . 3.600 2.754 2.534 3.039 . 0 0 "[ . 1 . 2]" 1
1668 1 84 GLU HB2 1 85 GLN HA . . 4.830 4.617 4.352 4.688 . 0 0 "[ . 1 . 2]" 1
1669 1 84 GLU HB3 1 85 GLN H . . 3.760 3.304 3.128 3.621 . 0 0 "[ . 1 . 2]" 1
1670 1 84 GLU HB3 1 85 GLN HA . . 5.010 4.074 3.981 4.255 . 0 0 "[ . 1 . 2]" 1
1671 1 84 GLU HB3 1 85 GLN HE21 . . 5.500 4.608 3.945 4.957 . 0 0 "[ . 1 . 2]" 1
1672 1 84 GLU HB3 1 85 GLN HE22 . . 4.950 4.797 3.874 4.951 0.001 12 0 "[ . 1 . 2]" 1
1673 1 84 GLU QG 1 85 GLN H . . 5.110 4.311 4.144 4.443 . 0 0 "[ . 1 . 2]" 1
1674 1 85 GLN H 1 85 GLN HB2 . . 3.270 2.578 2.477 2.673 . 0 0 "[ . 1 . 2]" 1
1675 1 85 GLN H 1 85 GLN HB3 . . 3.680 3.589 3.581 3.594 . 0 0 "[ . 1 . 2]" 1
1676 1 85 GLN H 1 85 GLN HE21 . . 4.500 3.859 3.208 4.117 . 0 0 "[ . 1 . 2]" 1
1677 1 85 GLN H 1 85 GLN HE22 . . 4.920 4.749 4.215 4.921 0.001 17 0 "[ . 1 . 2]" 1
1678 1 85 GLN H 1 85 GLN HG2 . . 3.720 2.094 1.945 2.374 . 0 0 "[ . 1 . 2]" 1
1679 1 85 GLN H 1 85 GLN HG3 . . 3.970 3.604 3.484 3.807 . 0 0 "[ . 1 . 2]" 1
1680 1 85 GLN H 1 86 ASP H . . 3.180 2.782 2.620 2.938 . 0 0 "[ . 1 . 2]" 1
1681 1 85 GLN H 1 86 ASP QB . . 4.800 4.467 4.280 4.577 . 0 0 "[ . 1 . 2]" 1
1682 1 85 GLN HA 1 85 GLN HE21 . . 4.720 4.233 3.832 4.542 . 0 0 "[ . 1 . 2]" 1
1683 1 85 GLN HA 1 85 GLN HE22 . . 4.850 4.111 3.717 4.344 . 0 0 "[ . 1 . 2]" 1
1684 1 85 GLN HA 1 85 GLN HG2 . . 4.120 3.201 3.136 3.363 . 0 0 "[ . 1 . 2]" 1
1685 1 85 GLN HA 1 87 LYS H . . 4.620 4.202 3.501 4.613 . 0 0 "[ . 1 . 2]" 1
1686 1 85 GLN HA 1 88 ARG HB2 . . 4.980 3.907 2.377 4.987 0.007 12 0 "[ . 1 . 2]" 1
1687 1 85 GLN HA 1 88 ARG QB . . 4.170 3.348 2.361 4.158 . 0 0 "[ . 1 . 2]" 1
1688 1 85 GLN HA 1 88 ARG HB3 . . 4.980 4.153 2.647 4.954 . 0 0 "[ . 1 . 2]" 1
1689 1 85 GLN HA 1 88 ARG QD . . 4.690 3.385 2.057 4.612 . 0 0 "[ . 1 . 2]" 1
1690 1 85 GLN HB2 1 86 ASP H . . 3.870 2.507 2.314 2.913 . 0 0 "[ . 1 . 2]" 1
1691 1 85 GLN HB3 1 85 GLN HE22 . . 5.380 4.756 4.687 4.893 . 0 0 "[ . 1 . 2]" 1
1692 1 85 GLN HB3 1 86 ASP H . . 3.840 3.617 3.386 3.852 0.012 12 0 "[ . 1 . 2]" 1
1693 1 85 GLN HE21 1 85 GLN HG2 . . 3.470 2.293 2.126 2.446 . 0 0 "[ . 1 . 2]" 1
1694 1 85 GLN HE22 1 85 GLN HG2 . . 3.780 3.506 3.441 3.569 . 0 0 "[ . 1 . 2]" 1
1695 1 85 GLN HG2 1 86 ASP H . . 4.610 4.157 3.962 4.438 . 0 0 "[ . 1 . 2]" 1
1696 1 86 ASP H 1 86 ASP QB . . 3.000 2.221 2.149 2.288 . 0 0 "[ . 1 . 2]" 1
1697 1 86 ASP H 1 87 LYS H . . 3.200 2.807 2.236 3.024 . 0 0 "[ . 1 . 2]" 1
1698 1 86 ASP QB 1 87 LYS H . . 3.240 2.663 2.345 3.126 . 0 0 "[ . 1 . 2]" 1
1699 1 87 LYS H 1 87 LYS HB2 . . 3.610 2.518 2.266 3.540 . 0 0 "[ . 1 . 2]" 1
1700 1 87 LYS H 1 87 LYS QB . . 2.960 2.263 2.176 2.370 . 0 0 "[ . 1 . 2]" 1
1701 1 87 LYS H 1 87 LYS HB3 . . 3.610 2.654 2.258 2.839 . 0 0 "[ . 1 . 2]" 1
1702 1 87 LYS H 1 87 LYS HG2 . . 4.870 4.450 2.774 4.738 . 0 0 "[ . 1 . 2]" 1
1703 1 87 LYS H 1 87 LYS QG . . 4.120 3.932 2.716 4.126 0.006 1 0 "[ . 1 . 2]" 1
1704 1 87 LYS H 1 87 LYS HG3 . . 4.870 4.415 3.871 4.543 . 0 0 "[ . 1 . 2]" 1
1705 1 87 LYS H 1 88 ARG H . . 3.310 2.764 2.503 2.913 . 0 0 "[ . 1 . 2]" 1
1706 1 87 LYS HA 1 87 LYS HG2 . . 4.230 3.136 2.316 3.813 . 0 0 "[ . 1 . 2]" 1
1707 1 87 LYS HA 1 87 LYS QG . . 3.580 2.468 2.204 3.256 . 0 0 "[ . 1 . 2]" 1
1708 1 87 LYS HA 1 87 LYS HG3 . . 4.230 2.683 2.264 3.551 . 0 0 "[ . 1 . 2]" 1
1709 1 87 LYS HA 1 88 ARG QG . . 5.200 4.986 4.150 5.222 0.022 8 0 "[ . 1 . 2]" 1
1710 1 87 LYS QB 1 88 ARG H . . 3.790 2.765 1.898 3.790 . 0 0 "[ . 1 . 2]" 1
1711 1 88 ARG H 1 88 ARG QB . . 3.360 2.554 2.224 3.131 . 0 0 "[ . 1 . 2]" 1
1712 1 88 ARG H 1 88 ARG HG2 . . 3.990 2.646 1.889 3.818 . 0 0 "[ . 1 . 2]" 1
1713 1 88 ARG H 1 88 ARG QG . . 3.490 2.184 1.879 3.187 . 0 0 "[ . 1 . 2]" 1
1714 1 88 ARG H 1 88 ARG HG3 . . 3.990 2.978 1.899 3.981 . 0 0 "[ . 1 . 2]" 1
1715 1 88 ARG H 1 89 SER H . . 4.650 3.821 2.020 4.630 . 0 0 "[ . 1 . 2]" 1
1716 1 88 ARG HA 1 88 ARG QD . . 4.620 3.734 2.249 4.462 . 0 0 "[ . 1 . 2]" 1
1717 1 88 ARG QB 1 88 ARG QD . . 3.430 2.283 2.088 2.675 . 0 0 "[ . 1 . 2]" 1
1718 1 90 GLY HA2 1 91 PRO QD . . 3.420 2.533 1.936 3.414 . 0 0 "[ . 1 . 2]" 1
1719 1 90 GLY HA3 1 91 PRO QD . . 3.420 2.327 1.901 3.394 . 0 0 "[ . 1 . 2]" 1
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