NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
597215 |
2mzs   |
25498 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mzs
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 605
_Distance_constraint_stats_list.Viol_count 1236
_Distance_constraint_stats_list.Viol_total 656.908
_Distance_constraint_stats_list.Viol_max 0.127
_Distance_constraint_stats_list.Viol_rms 0.0106
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0266
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLU 0.326 0.038 2 0 "[ . 1 . 2]"
1 4 VAL 0.453 0.046 13 0 "[ . 1 . 2]"
1 5 ILE 0.076 0.015 12 0 "[ . 1 . 2]"
1 6 VAL 0.332 0.067 10 0 "[ . 1 . 2]"
1 7 LYS 0.486 0.047 19 0 "[ . 1 . 2]"
1 8 ASN 0.979 0.107 12 0 "[ . 1 . 2]"
1 9 LEU 3.572 0.102 1 0 "[ . 1 . 2]"
1 10 PRO 0.035 0.031 9 0 "[ . 1 . 2]"
1 11 ALA 0.039 0.032 8 0 "[ . 1 . 2]"
1 12 SER 0.198 0.036 5 0 "[ . 1 . 2]"
1 13 VAL 2.443 0.106 18 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TRP 1.287 0.048 15 0 "[ . 1 . 2]"
1 16 GLN 0.812 0.063 8 0 "[ . 1 . 2]"
1 17 ALA 0.543 0.038 12 0 "[ . 1 . 2]"
1 18 LEU 2.966 0.105 4 0 "[ . 1 . 2]"
1 19 LYS 0.958 0.063 8 0 "[ . 1 . 2]"
1 20 ASP 0.710 0.067 6 0 "[ . 1 . 2]"
1 21 ILE 1.940 0.074 15 0 "[ . 1 . 2]"
1 22 PHE 1.557 0.073 10 0 "[ . 1 . 2]"
1 23 LYS 0.733 0.067 6 0 "[ . 1 . 2]"
1 25 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASN 0.071 0.022 13 0 "[ . 1 . 2]"
1 28 VAL 0.856 0.059 5 0 "[ . 1 . 2]"
1 29 ALA 1.182 0.042 14 0 "[ . 1 . 2]"
1 30 HIS 0.602 0.042 14 0 "[ . 1 . 2]"
1 31 ALA 0.462 0.033 18 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.935 0.096 11 0 "[ . 1 . 2]"
1 34 GLU 0.968 0.096 11 0 "[ . 1 . 2]"
1 35 LEU 0.763 0.047 17 0 "[ . 1 . 2]"
1 36 ASP 0.448 0.061 7 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.009 0.009 7 0 "[ . 1 . 2]"
1 39 GLY 0.173 0.042 7 0 "[ . 1 . 2]"
1 40 VAL 0.442 0.061 7 0 "[ . 1 . 2]"
1 41 SER 0.367 0.052 7 0 "[ . 1 . 2]"
1 42 THR 0.514 0.046 8 0 "[ . 1 . 2]"
1 43 GLY 0.150 0.046 8 0 "[ . 1 . 2]"
1 44 SER 2.489 0.107 12 0 "[ . 1 . 2]"
1 45 GLY 1.128 0.097 6 0 "[ . 1 . 2]"
1 46 THR 0.091 0.021 8 0 "[ . 1 . 2]"
1 47 VAL 0.889 0.067 10 0 "[ . 1 . 2]"
1 48 SER 1.163 0.105 4 0 "[ . 1 . 2]"
1 49 PHE 1.180 0.075 5 0 "[ . 1 . 2]"
1 50 TYR 2.548 0.073 10 0 "[ . 1 . 2]"
1 51 ASP 0.216 0.024 3 0 "[ . 1 . 2]"
1 52 ILE 0.026 0.019 13 0 "[ . 1 . 2]"
1 53 LYS 3.056 0.111 11 0 "[ . 1 . 2]"
1 54 ASP 1.402 0.111 11 0 "[ . 1 . 2]"
1 55 LEU 0.948 0.073 16 0 "[ . 1 . 2]"
1 56 HIS 1.143 0.127 16 0 "[ . 1 . 2]"
1 57 ARG 0.383 0.055 11 0 "[ . 1 . 2]"
1 58 ALA 0.670 0.050 17 0 "[ . 1 . 2]"
1 59 ILE 1.796 0.127 16 0 "[ . 1 . 2]"
1 60 GLU 0.405 0.043 6 0 "[ . 1 . 2]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 TYR 0.153 0.040 20 0 "[ . 1 . 2]"
1 63 ASN 0.339 0.042 8 0 "[ . 1 . 2]"
1 64 GLY 0.005 0.005 20 0 "[ . 1 . 2]"
1 65 TYR 2.241 0.100 18 0 "[ . 1 . 2]"
1 66 SER 0.085 0.024 7 0 "[ . 1 . 2]"
1 67 ILE 2.976 0.100 18 0 "[ . 1 . 2]"
1 68 GLU 0.826 0.106 18 0 "[ . 1 . 2]"
1 69 GLY 0.136 0.031 13 0 "[ . 1 . 2]"
1 70 ASN 1.778 0.095 5 0 "[ . 1 . 2]"
1 71 VAL 0.869 0.054 9 0 "[ . 1 . 2]"
1 72 LEU 0.716 0.079 19 0 "[ . 1 . 2]"
1 73 ASP 0.869 0.079 19 0 "[ . 1 . 2]"
1 74 VAL 0.053 0.011 10 0 "[ . 1 . 2]"
1 75 LYS 0.109 0.028 14 0 "[ . 1 . 2]"
1 76 SER 0.034 0.015 12 0 "[ . 1 . 2]"
1 77 LYS 0.284 0.053 16 0 "[ . 1 . 2]"
1 78 GLU 0.516 0.087 16 0 "[ . 1 . 2]"
1 79 SER 0.463 0.087 16 0 "[ . 1 . 2]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ASN 0.274 0.042 11 0 "[ . 1 . 2]"
1 84 SER 0.082 0.056 13 0 "[ . 1 . 2]"
1 85 ASP 0.082 0.056 13 0 "[ . 1 . 2]"
1 88 ASP 0.907 0.090 1 0 "[ . 1 . 2]"
1 89 VAL 0.926 0.090 1 0 "[ . 1 . 2]"
1 90 ASP 0.555 0.098 6 0 "[ . 1 . 2]"
1 91 ILE 0.597 0.098 6 0 "[ . 1 . 2]"
1 92 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ASP 0.169 0.024 3 0 "[ . 1 . 2]"
1 96 SER 0.169 0.024 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU H 1 3 GLU QB . . 3.440 3.024 2.686 3.477 0.037 17 0 "[ . 1 . 2]" 1
2 1 3 GLU H 1 49 PHE H . . 4.800 4.324 3.555 4.777 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU HA 1 4 VAL QG . . 5.320 3.418 3.200 3.797 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLU HA 1 48 SER HA . . 3.940 2.573 2.155 3.272 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLU HA 1 48 SER QB . . 5.060 4.480 3.726 5.098 0.038 2 0 "[ . 1 . 2]" 1
6 1 3 GLU QB 1 46 THR MG . . 4.810 4.338 2.979 4.831 0.021 8 0 "[ . 1 . 2]" 1
7 1 3 GLU QG 1 48 SER HA . . 4.800 2.897 2.152 4.357 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLU QG 1 48 SER QB . . 4.680 3.929 2.916 4.715 0.035 10 0 "[ . 1 . 2]" 1
9 1 3 GLU HG2 1 48 SER HA . . 5.580 3.572 2.165 4.970 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLU HG3 1 48 SER HA . . 5.580 3.775 2.271 4.982 . 0 0 "[ . 1 . 2]" 1
11 1 4 VAL H 1 4 VAL MG1 . . 4.470 3.251 3.080 4.020 . 0 0 "[ . 1 . 2]" 1
12 1 4 VAL H 1 4 VAL QG . . 3.870 2.476 2.316 3.077 . 0 0 "[ . 1 . 2]" 1
13 1 4 VAL H 1 4 VAL MG2 . . 4.470 2.569 2.395 3.194 . 0 0 "[ . 1 . 2]" 1
14 1 4 VAL H 1 47 VAL H . . 5.050 3.221 3.073 3.385 . 0 0 "[ . 1 . 2]" 1
15 1 4 VAL HA 1 76 SER HA . . 3.390 2.481 2.070 3.201 . 0 0 "[ . 1 . 2]" 1
16 1 4 VAL HA 1 77 LYS H . . 4.360 3.917 2.754 4.399 0.039 6 0 "[ . 1 . 2]" 1
17 1 4 VAL HB 1 5 ILE H . . 4.320 2.639 2.336 4.169 . 0 0 "[ . 1 . 2]" 1
18 1 4 VAL HB 1 6 VAL QG . . 4.120 3.963 3.494 4.129 0.009 5 0 "[ . 1 . 2]" 1
19 1 4 VAL QG 1 5 ILE H . . 4.620 3.126 2.311 3.304 . 0 0 "[ . 1 . 2]" 1
20 1 4 VAL QG 1 22 PHE QD . . 4.510 4.438 3.910 4.556 0.046 13 0 "[ . 1 . 2]" 1
21 1 4 VAL QG 1 22 PHE QE . . 4.080 3.463 3.042 3.721 . 0 0 "[ . 1 . 2]" 1
22 1 4 VAL QG 1 22 PHE HZ . . 4.750 3.505 2.905 4.041 . 0 0 "[ . 1 . 2]" 1
23 1 4 VAL QG 1 47 VAL H . . 4.650 3.479 3.182 4.051 . 0 0 "[ . 1 . 2]" 1
24 1 4 VAL QG 1 47 VAL QG . . 2.900 2.191 1.882 2.886 . 0 0 "[ . 1 . 2]" 1
25 1 4 VAL QG 1 58 ALA MB . . 3.980 3.871 3.439 3.994 0.014 4 0 "[ . 1 . 2]" 1
26 1 4 VAL QG 1 76 SER HA . . 4.080 2.980 2.165 3.837 . 0 0 "[ . 1 . 2]" 1
27 1 4 VAL QG 1 76 SER QB . . 3.860 2.516 2.071 3.864 0.004 13 0 "[ . 1 . 2]" 1
28 1 4 VAL MG1 1 49 PHE QD . . 4.390 3.340 2.816 4.138 . 0 0 "[ . 1 . 2]" 1
29 1 4 VAL MG1 1 49 PHE QE . . 4.550 3.814 3.320 4.554 0.004 16 0 "[ . 1 . 2]" 1
30 1 4 VAL MG1 1 58 ALA MB . . 4.670 4.425 3.821 4.685 0.015 18 0 "[ . 1 . 2]" 1
31 1 4 VAL MG2 1 49 PHE QD . . 4.390 2.312 2.158 2.597 . 0 0 "[ . 1 . 2]" 1
32 1 4 VAL MG2 1 49 PHE QE . . 4.550 2.606 2.297 3.302 . 0 0 "[ . 1 . 2]" 1
33 1 4 VAL MG2 1 58 ALA MB . . 4.670 4.293 3.843 4.517 . 0 0 "[ . 1 . 2]" 1
34 1 5 ILE H 1 5 ILE QG . . 4.800 3.420 2.649 3.686 . 0 0 "[ . 1 . 2]" 1
35 1 5 ILE H 1 5 ILE MG . . 4.580 3.864 3.701 3.978 . 0 0 "[ . 1 . 2]" 1
36 1 5 ILE H 1 75 LYS H . . 5.110 3.016 2.801 3.286 . 0 0 "[ . 1 . 2]" 1
37 1 5 ILE HA 1 46 THR MG . . 5.970 3.254 2.328 3.810 . 0 0 "[ . 1 . 2]" 1
38 1 5 ILE MD 1 76 SER H . . 4.680 4.421 3.651 4.695 0.015 12 0 "[ . 1 . 2]" 1
39 1 5 ILE MD 1 77 LYS H . . 4.720 3.296 2.778 4.176 . 0 0 "[ . 1 . 2]" 1
40 1 5 ILE MD 1 77 LYS QE . . 4.730 4.084 2.105 4.743 0.013 12 0 "[ . 1 . 2]" 1
41 1 5 ILE MG 1 7 LYS QE . . 4.790 3.634 2.003 4.799 0.009 4 0 "[ . 1 . 2]" 1
42 1 6 VAL H 1 6 VAL MG1 . . 4.660 3.024 2.821 3.222 . 0 0 "[ . 1 . 2]" 1
43 1 6 VAL H 1 6 VAL QG . . 3.970 2.264 2.155 2.362 . 0 0 "[ . 1 . 2]" 1
44 1 6 VAL H 1 6 VAL MG2 . . 4.660 2.341 2.222 2.521 . 0 0 "[ . 1 . 2]" 1
45 1 6 VAL H 1 45 GLY H . . 4.730 3.144 2.917 3.372 . 0 0 "[ . 1 . 2]" 1
46 1 6 VAL H 1 46 THR HA . . 5.490 3.417 2.969 3.690 . 0 0 "[ . 1 . 2]" 1
47 1 6 VAL HA 1 47 VAL QG . . 5.560 4.814 4.540 5.572 0.012 12 0 "[ . 1 . 2]" 1
48 1 6 VAL HA 1 74 VAL QG . . 4.780 3.452 2.810 4.302 . 0 0 "[ . 1 . 2]" 1
49 1 6 VAL HB 1 45 GLY H . . 4.930 4.512 4.309 4.804 . 0 0 "[ . 1 . 2]" 1
50 1 6 VAL QG 1 9 LEU QD . . 2.760 2.477 2.104 2.771 0.011 10 0 "[ . 1 . 2]" 1
51 1 6 VAL QG 1 18 LEU QD . . 3.180 2.212 2.002 2.686 . 0 0 "[ . 1 . 2]" 1
52 1 6 VAL QG 1 22 PHE QD . . 5.920 4.438 4.040 4.785 . 0 0 "[ . 1 . 2]" 1
53 1 6 VAL QG 1 22 PHE QE . . 3.770 2.757 2.279 3.215 . 0 0 "[ . 1 . 2]" 1
54 1 6 VAL QG 1 22 PHE HZ . . 3.740 2.306 2.100 2.538 . 0 0 "[ . 1 . 2]" 1
55 1 6 VAL QG 1 45 GLY QA . . 3.770 3.301 2.590 3.633 . 0 0 "[ . 1 . 2]" 1
56 1 6 VAL QG 1 46 THR HA . . 4.970 3.680 2.652 4.238 . 0 0 "[ . 1 . 2]" 1
57 1 6 VAL QG 1 47 VAL HB . . 4.250 4.156 3.801 4.317 0.067 10 0 "[ . 1 . 2]" 1
58 1 6 VAL QG 1 47 VAL QG . . 4.020 2.182 1.880 2.734 . 0 0 "[ . 1 . 2]" 1
59 1 6 VAL QG 1 74 VAL HA . . 5.000 2.912 2.237 3.897 . 0 0 "[ . 1 . 2]" 1
60 1 6 VAL QG 1 74 VAL QG . . 4.060 2.185 1.975 3.009 . 0 0 "[ . 1 . 2]" 1
61 1 6 VAL QG 1 75 LYS H . . 4.690 3.963 3.495 4.654 . 0 0 "[ . 1 . 2]" 1
62 1 6 VAL MG1 1 22 PHE QE . . 4.430 2.889 2.314 3.503 . 0 0 "[ . 1 . 2]" 1
63 1 6 VAL MG1 1 22 PHE HZ . . 4.370 2.320 2.107 2.555 . 0 0 "[ . 1 . 2]" 1
64 1 6 VAL MG1 1 46 THR HA . . 5.730 4.633 3.763 5.153 . 0 0 "[ . 1 . 2]" 1
65 1 6 VAL MG2 1 22 PHE QE . . 4.430 3.556 3.175 3.919 . 0 0 "[ . 1 . 2]" 1
66 1 6 VAL MG2 1 22 PHE HZ . . 4.370 4.135 3.528 4.377 0.007 1 0 "[ . 1 . 2]" 1
67 1 6 VAL MG2 1 46 THR HA . . 5.730 3.877 2.711 4.507 . 0 0 "[ . 1 . 2]" 1
68 1 7 LYS H 1 7 LYS QG . . 4.720 3.803 2.974 4.258 . 0 0 "[ . 1 . 2]" 1
69 1 7 LYS H 1 8 ASN H . . 4.700 3.444 2.719 4.499 . 0 0 "[ . 1 . 2]" 1
70 1 7 LYS H 1 73 ASP QB . . 5.030 3.674 2.576 4.861 . 0 0 "[ . 1 . 2]" 1
71 1 7 LYS H 1 74 VAL QG . . 5.780 4.477 3.799 5.337 . 0 0 "[ . 1 . 2]" 1
72 1 7 LYS HA 1 7 LYS QE . . 5.810 4.162 3.744 4.823 . 0 0 "[ . 1 . 2]" 1
73 1 7 LYS HA 1 7 LYS QG . . 3.740 2.448 2.242 2.931 . 0 0 "[ . 1 . 2]" 1
74 1 7 LYS HA 1 9 LEU H . . 5.180 4.345 3.533 4.814 . 0 0 "[ . 1 . 2]" 1
75 1 7 LYS HA 1 44 SER HA . . 3.930 3.041 2.346 3.751 . 0 0 "[ . 1 . 2]" 1
76 1 7 LYS HA 1 44 SER HB2 . . 6.000 3.145 2.217 3.933 . 0 0 "[ . 1 . 2]" 1
77 1 7 LYS HA 1 44 SER HB3 . . 6.000 2.810 2.178 4.567 . 0 0 "[ . 1 . 2]" 1
78 1 7 LYS QB 1 8 ASN H . . 4.090 3.871 2.630 4.065 . 0 0 "[ . 1 . 2]" 1
79 1 7 LYS QB 1 44 SER HA . . 5.810 4.897 4.105 5.646 . 0 0 "[ . 1 . 2]" 1
80 1 7 LYS QB 1 73 ASP QB . . 4.080 3.598 2.289 4.093 0.013 2 0 "[ . 1 . 2]" 1
81 1 7 LYS QB 1 75 LYS QB . . 4.350 4.263 3.529 4.378 0.028 14 0 "[ . 1 . 2]" 1
82 1 7 LYS QD 1 44 SER HA . . 5.650 5.049 3.753 5.697 0.047 19 0 "[ . 1 . 2]" 1
83 1 7 LYS QG 1 8 ASN H . . 5.050 4.286 2.331 4.955 . 0 0 "[ . 1 . 2]" 1
84 1 7 LYS QG 1 44 SER HA . . 4.810 4.461 3.502 4.853 0.043 9 0 "[ . 1 . 2]" 1
85 1 8 ASN H 1 9 LEU H . . 4.440 2.212 1.796 3.308 . 0 0 "[ . 1 . 2]" 1
86 1 8 ASN H 1 44 SER H . . 4.550 4.598 4.557 4.657 0.107 12 0 "[ . 1 . 2]" 1
87 1 8 ASN QB 1 72 LEU HA . . 4.150 2.827 2.269 3.744 . 0 0 "[ . 1 . 2]" 1
88 1 8 ASN QB 1 72 LEU QD . . 4.990 4.205 2.200 4.946 . 0 0 "[ . 1 . 2]" 1
89 1 8 ASN QD 1 71 VAL H . . 4.910 4.042 3.374 4.932 0.022 13 0 "[ . 1 . 2]" 1
90 1 9 LEU H 1 9 LEU MD1 . . 5.510 3.593 3.212 3.907 . 0 0 "[ . 1 . 2]" 1
91 1 9 LEU H 1 9 LEU QD . . 4.720 2.990 2.046 3.197 . 0 0 "[ . 1 . 2]" 1
92 1 9 LEU H 1 9 LEU MD2 . . 5.510 3.270 2.059 3.743 . 0 0 "[ . 1 . 2]" 1
93 1 9 LEU H 1 9 LEU HG . . 4.260 2.352 2.093 3.863 . 0 0 "[ . 1 . 2]" 1
94 1 9 LEU H 1 70 ASN H . . 4.900 4.955 4.921 4.995 0.095 5 0 "[ . 1 . 2]" 1
95 1 9 LEU HA 1 9 LEU QD . . 3.610 2.176 2.096 2.276 . 0 0 "[ . 1 . 2]" 1
96 1 9 LEU HA 1 10 PRO HD2 . . 4.020 2.368 2.200 2.682 . 0 0 "[ . 1 . 2]" 1
97 1 9 LEU HA 1 10 PRO QD . . 3.480 2.071 2.038 2.124 . 0 0 "[ . 1 . 2]" 1
98 1 9 LEU HA 1 10 PRO HD3 . . 4.020 2.322 2.141 2.633 . 0 0 "[ . 1 . 2]" 1
99 1 9 LEU QB 1 10 PRO QD . . 5.000 3.129 2.346 3.616 . 0 0 "[ . 1 . 2]" 1
100 1 9 LEU QD 1 10 PRO QD . . 3.950 2.975 2.743 3.395 . 0 0 "[ . 1 . 2]" 1
101 1 9 LEU QD 1 13 VAL HA . . 4.600 4.662 4.621 4.702 0.102 1 0 "[ . 1 . 2]" 1
102 1 9 LEU QD 1 13 VAL HB . . 5.310 3.011 2.542 3.656 . 0 0 "[ . 1 . 2]" 1
103 1 9 LEU QD 1 13 VAL QG . . 2.850 1.862 1.746 2.069 . 0 0 "[ . 1 . 2]" 1
104 1 9 LEU QD 1 21 ILE MG . . 3.420 3.459 3.442 3.481 0.061 9 0 "[ . 1 . 2]" 1
105 1 9 LEU QD 1 44 SER HA . . 4.990 4.065 3.471 4.824 . 0 0 "[ . 1 . 2]" 1
106 1 9 LEU QD 1 45 GLY H . . 4.930 4.566 4.042 4.947 0.017 10 0 "[ . 1 . 2]" 1
107 1 9 LEU QD 1 67 ILE HB . . 3.970 3.239 2.532 3.862 . 0 0 "[ . 1 . 2]" 1
108 1 9 LEU QD 1 72 LEU H . . 4.490 4.321 3.592 4.527 0.037 4 0 "[ . 1 . 2]" 1
109 1 9 LEU MD1 1 21 ILE MG . . 4.760 3.652 3.552 4.068 . 0 0 "[ . 1 . 2]" 1
110 1 9 LEU MD1 1 67 ILE HB . . 4.580 4.150 3.136 4.607 0.027 2 0 "[ . 1 . 2]" 1
111 1 9 LEU MD2 1 21 ILE MG . . 4.760 4.390 3.745 4.766 0.006 5 0 "[ . 1 . 2]" 1
112 1 9 LEU MD2 1 67 ILE HB . . 4.580 3.520 2.544 4.298 . 0 0 "[ . 1 . 2]" 1
113 1 9 LEU HG 1 13 VAL QG . . 4.330 3.740 2.580 3.944 . 0 0 "[ . 1 . 2]" 1
114 1 9 LEU HG 1 44 SER HA . . 5.380 5.095 4.256 5.421 0.041 15 0 "[ . 1 . 2]" 1
115 1 9 LEU HG 1 72 LEU QD . . 3.890 2.889 1.999 3.907 0.017 18 0 "[ . 1 . 2]" 1
116 1 10 PRO HA 1 70 ASN QD . . 4.960 4.331 3.712 4.965 0.005 9 0 "[ . 1 . 2]" 1
117 1 10 PRO QB 1 70 ASN QB . . 5.370 4.824 4.284 5.401 0.031 9 0 "[ . 1 . 2]" 1
118 1 10 PRO QD 1 13 VAL QG . . 4.320 2.906 2.006 3.793 . 0 0 "[ . 1 . 2]" 1
119 1 10 PRO QG 1 12 SER H . . 4.540 2.635 2.295 3.023 . 0 0 "[ . 1 . 2]" 1
120 1 10 PRO QG 1 69 GLY QA . . 4.280 2.581 2.167 3.015 . 0 0 "[ . 1 . 2]" 1
121 1 11 ALA H 1 12 SER H . . 4.660 2.983 2.928 3.085 . 0 0 "[ . 1 . 2]" 1
122 1 11 ALA HA 1 13 VAL H . . 5.210 3.696 3.494 3.929 . 0 0 "[ . 1 . 2]" 1
123 1 11 ALA HA 1 41 SER QB . . 4.390 3.229 2.061 4.422 0.032 8 0 "[ . 1 . 2]" 1
124 1 11 ALA MB 1 12 SER H . . 4.440 3.064 2.753 3.345 . 0 0 "[ . 1 . 2]" 1
125 1 11 ALA MB 1 41 SER QB . . 4.380 2.855 2.088 4.387 0.007 2 0 "[ . 1 . 2]" 1
126 1 12 SER H 1 13 VAL H . . 4.430 2.770 2.624 2.904 . 0 0 "[ . 1 . 2]" 1
127 1 12 SER QB 1 13 VAL QG . . 4.060 3.809 3.285 4.096 0.036 5 0 "[ . 1 . 2]" 1
128 1 13 VAL H 1 13 VAL HB . . 3.820 3.026 2.676 3.383 . 0 0 "[ . 1 . 2]" 1
129 1 13 VAL H 1 13 VAL MG1 . . 3.910 2.253 2.050 2.476 . 0 0 "[ . 1 . 2]" 1
130 1 13 VAL H 1 13 VAL MG2 . . 3.910 3.898 3.795 3.953 0.043 7 0 "[ . 1 . 2]" 1
131 1 13 VAL HA 1 13 VAL MG1 . . 3.550 3.223 3.169 3.262 . 0 0 "[ . 1 . 2]" 1
132 1 13 VAL HA 1 13 VAL MG2 . . 3.550 2.307 2.160 2.518 . 0 0 "[ . 1 . 2]" 1
133 1 13 VAL HA 1 14 ASN H . . 3.470 2.183 2.075 2.465 . 0 0 "[ . 1 . 2]" 1
134 1 13 VAL HA 1 17 ALA MB . . 4.080 2.935 2.115 3.464 . 0 0 "[ . 1 . 2]" 1
135 1 13 VAL HA 1 68 GLU QB . . 4.510 3.055 2.459 3.824 . 0 0 "[ . 1 . 2]" 1
136 1 13 VAL HA 1 68 GLU QG . . 3.970 3.284 2.073 3.999 0.029 17 0 "[ . 1 . 2]" 1
137 1 13 VAL HB 1 68 GLU HA . . 4.650 4.682 4.616 4.756 0.106 18 0 "[ . 1 . 2]" 1
138 1 13 VAL HB 1 68 GLU QB . . 4.050 2.294 2.105 2.494 . 0 0 "[ . 1 . 2]" 1
139 1 13 VAL QG 1 14 ASN H . . 4.300 2.684 2.199 3.674 . 0 0 "[ . 1 . 2]" 1
140 1 13 VAL QG 1 17 ALA MB . . 3.560 2.070 1.930 2.237 . 0 0 "[ . 1 . 2]" 1
141 1 13 VAL QG 1 18 LEU H . . 3.950 2.990 2.627 3.383 . 0 0 "[ . 1 . 2]" 1
142 1 13 VAL QG 1 18 LEU HA . . 4.540 3.087 2.668 3.467 . 0 0 "[ . 1 . 2]" 1
143 1 13 VAL QG 1 67 ILE HB . . 4.780 4.111 3.044 4.800 0.020 10 0 "[ . 1 . 2]" 1
144 1 14 ASN H 1 17 ALA MB . . 3.820 2.381 2.073 2.985 . 0 0 "[ . 1 . 2]" 1
145 1 14 ASN HA 1 16 GLN H . . 5.770 4.789 4.339 5.184 . 0 0 "[ . 1 . 2]" 1
146 1 14 ASN QB 1 15 TRP H . . 3.810 2.789 2.155 3.630 . 0 0 "[ . 1 . 2]" 1
147 1 15 TRP H 1 15 TRP HD1 . . 4.370 3.901 3.335 4.405 0.035 11 0 "[ . 1 . 2]" 1
148 1 15 TRP H 1 16 GLN H . . 4.730 3.139 2.866 3.419 . 0 0 "[ . 1 . 2]" 1
149 1 15 TRP H 1 33 VAL HB . . 5.690 4.722 2.120 5.738 0.048 15 0 "[ . 1 . 2]" 1
150 1 15 TRP H 1 33 VAL QG . . 4.790 2.940 2.135 3.928 . 0 0 "[ . 1 . 2]" 1
151 1 15 TRP HA 1 18 LEU H . . 4.450 3.366 3.049 3.791 . 0 0 "[ . 1 . 2]" 1
152 1 15 TRP HA 1 18 LEU HB2 . . 4.480 3.402 2.812 4.032 . 0 0 "[ . 1 . 2]" 1
153 1 15 TRP HA 1 18 LEU QB . . 3.770 2.287 2.140 2.780 . 0 0 "[ . 1 . 2]" 1
154 1 15 TRP HA 1 18 LEU HB3 . . 4.480 2.328 2.216 2.833 . 0 0 "[ . 1 . 2]" 1
155 1 15 TRP HA 1 31 ALA MB . . 5.130 4.741 4.113 5.148 0.018 4 0 "[ . 1 . 2]" 1
156 1 15 TRP HA 1 33 VAL QG . . 3.930 2.496 2.132 2.985 . 0 0 "[ . 1 . 2]" 1
157 1 15 TRP QB 1 31 ALA MB . . 5.350 4.664 4.152 5.064 . 0 0 "[ . 1 . 2]" 1
158 1 15 TRP QB 1 33 VAL H . . 5.040 3.970 2.649 5.037 . 0 0 "[ . 1 . 2]" 1
159 1 15 TRP QB 1 33 VAL QG . . 4.650 2.156 1.914 2.711 . 0 0 "[ . 1 . 2]" 1
160 1 15 TRP QB 1 35 LEU QD . . 5.260 4.330 2.906 5.264 0.004 11 0 "[ . 1 . 2]" 1
161 1 15 TRP HD1 1 16 GLN QG . . 5.810 3.572 2.657 5.812 0.002 18 0 "[ . 1 . 2]" 1
162 1 15 TRP HE3 1 16 GLN HA . . 4.500 4.425 4.062 4.530 0.030 5 0 "[ . 1 . 2]" 1
163 1 15 TRP HE3 1 19 LYS QB . . 5.070 3.404 2.965 3.634 . 0 0 "[ . 1 . 2]" 1
164 1 15 TRP HE3 1 31 ALA MB . . 4.520 2.738 2.235 3.124 . 0 0 "[ . 1 . 2]" 1
165 1 15 TRP HZ2 1 16 GLN HA . . 4.650 4.670 4.650 4.693 0.043 5 0 "[ . 1 . 2]" 1
166 1 15 TRP HZ3 1 18 LEU QD . . 3.810 3.823 3.657 3.858 0.048 4 0 "[ . 1 . 2]" 1
167 1 15 TRP HZ3 1 19 LYS QB . . 4.720 2.647 2.295 2.994 . 0 0 "[ . 1 . 2]" 1
168 1 16 GLN H 1 16 GLN QE . . 4.450 3.945 3.073 4.476 0.026 13 0 "[ . 1 . 2]" 1
169 1 16 GLN H 1 16 GLN QG . . 4.610 2.477 2.178 3.969 . 0 0 "[ . 1 . 2]" 1
170 1 16 GLN H 1 17 ALA H . . 4.260 2.786 2.677 2.898 . 0 0 "[ . 1 . 2]" 1
171 1 16 GLN H 1 19 LYS H . . 5.440 4.842 4.710 4.975 . 0 0 "[ . 1 . 2]" 1
172 1 16 GLN HA 1 16 GLN QE . . 5.410 4.794 4.111 5.419 0.009 1 0 "[ . 1 . 2]" 1
173 1 16 GLN HA 1 16 GLN QG . . 3.670 2.699 2.374 3.402 . 0 0 "[ . 1 . 2]" 1
174 1 16 GLN HA 1 19 LYS H . . 5.660 3.504 3.101 3.740 . 0 0 "[ . 1 . 2]" 1
175 1 16 GLN HA 1 19 LYS HB2 . . 4.920 3.756 3.183 4.983 0.063 8 0 "[ . 1 . 2]" 1
176 1 16 GLN HA 1 19 LYS QB . . 4.210 2.953 2.332 4.139 . 0 0 "[ . 1 . 2]" 1
177 1 16 GLN HA 1 19 LYS HB3 . . 4.920 3.131 2.371 4.423 . 0 0 "[ . 1 . 2]" 1
178 1 17 ALA H 1 18 LEU H . . 4.050 2.597 2.400 2.693 . 0 0 "[ . 1 . 2]" 1
179 1 17 ALA HA 1 20 ASP H . . 5.160 3.190 2.855 3.434 . 0 0 "[ . 1 . 2]" 1
180 1 17 ALA HA 1 20 ASP QB . . 4.030 2.530 2.144 2.978 . 0 0 "[ . 1 . 2]" 1
181 1 17 ALA MB 1 18 LEU H . . 4.210 2.753 2.631 2.961 . 0 0 "[ . 1 . 2]" 1
182 1 17 ALA MB 1 21 ILE H . . 4.880 4.901 4.883 4.918 0.038 12 0 "[ . 1 . 2]" 1
183 1 17 ALA MB 1 21 ILE MD . . 4.610 4.289 3.954 4.612 0.002 18 0 "[ . 1 . 2]" 1
184 1 17 ALA MB 1 67 ILE MG . . 4.160 3.864 3.205 4.197 0.037 20 0 "[ . 1 . 2]" 1
185 1 18 LEU H 1 18 LEU HB2 . . 4.110 2.646 2.380 2.889 . 0 0 "[ . 1 . 2]" 1
186 1 18 LEU H 1 18 LEU QB . . 3.550 2.220 2.139 2.271 . 0 0 "[ . 1 . 2]" 1
187 1 18 LEU H 1 18 LEU HB3 . . 4.110 2.410 2.208 2.562 . 0 0 "[ . 1 . 2]" 1
188 1 18 LEU H 1 19 LYS H . . 3.750 2.831 2.713 2.926 . 0 0 "[ . 1 . 2]" 1
189 1 18 LEU HA 1 18 LEU QD . . 3.730 3.082 2.650 3.198 . 0 0 "[ . 1 . 2]" 1
190 1 18 LEU HA 1 21 ILE HB . . 4.940 3.598 3.340 3.820 . 0 0 "[ . 1 . 2]" 1
191 1 18 LEU HA 1 21 ILE MD . . 4.310 2.242 2.085 2.488 . 0 0 "[ . 1 . 2]" 1
192 1 18 LEU HA 1 21 ILE QG . . 5.060 2.144 2.000 2.652 . 0 0 "[ . 1 . 2]" 1
193 1 18 LEU HA 1 22 PHE QD . . 5.670 4.978 4.696 5.245 . 0 0 "[ . 1 . 2]" 1
194 1 18 LEU HA 1 67 ILE HB . . 5.940 5.853 5.476 6.015 0.075 20 0 "[ . 1 . 2]" 1
195 1 18 LEU QB 1 19 LYS H . . 4.180 2.716 2.462 2.938 . 0 0 "[ . 1 . 2]" 1
196 1 18 LEU QB 1 31 ALA MB . . 4.490 3.957 3.485 4.426 . 0 0 "[ . 1 . 2]" 1
197 1 18 LEU QB 1 47 VAL QG . . 5.030 4.259 3.990 4.454 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU HB2 1 19 LYS H . . 5.060 4.036 3.845 4.207 . 0 0 "[ . 1 . 2]" 1
199 1 18 LEU HB3 1 19 LYS H . . 5.060 2.761 2.491 2.998 . 0 0 "[ . 1 . 2]" 1
200 1 18 LEU QD 1 19 LYS HA . . 4.520 2.922 2.616 3.889 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU QD 1 19 LYS QE . . 5.600 5.325 4.291 5.660 0.060 12 0 "[ . 1 . 2]" 1
202 1 18 LEU QD 1 19 LYS QG . . 4.800 4.406 3.710 4.827 0.027 16 0 "[ . 1 . 2]" 1
203 1 18 LEU QD 1 21 ILE HB . . 5.000 4.038 3.441 4.544 . 0 0 "[ . 1 . 2]" 1
204 1 18 LEU QD 1 21 ILE QG . . 4.050 4.086 4.018 4.124 0.074 15 0 "[ . 1 . 2]" 1
205 1 18 LEU QD 1 22 PHE QD . . 3.990 3.367 2.515 4.009 0.019 12 0 "[ . 1 . 2]" 1
206 1 18 LEU QD 1 22 PHE QE . . 3.840 3.136 2.333 3.668 . 0 0 "[ . 1 . 2]" 1
207 1 18 LEU QD 1 22 PHE HZ . . 5.060 4.810 4.206 5.097 0.037 15 0 "[ . 1 . 2]" 1
208 1 18 LEU QD 1 31 ALA MB . . 3.460 1.937 1.849 2.057 . 0 0 "[ . 1 . 2]" 1
209 1 18 LEU QD 1 32 ASP H . . 4.330 3.062 2.100 3.551 . 0 0 "[ . 1 . 2]" 1
210 1 18 LEU QD 1 46 THR H . . 4.880 3.403 2.312 4.005 . 0 0 "[ . 1 . 2]" 1
211 1 18 LEU QD 1 47 VAL HA . . 5.070 3.421 3.310 3.641 . 0 0 "[ . 1 . 2]" 1
212 1 18 LEU QD 1 47 VAL QG . . 3.030 1.912 1.812 2.019 . 0 0 "[ . 1 . 2]" 1
213 1 18 LEU QD 1 48 SER H . . 4.790 4.840 4.783 4.895 0.105 4 0 "[ . 1 . 2]" 1
214 1 18 LEU MD1 1 47 VAL MG1 . . 4.140 3.547 2.135 4.164 0.024 12 0 "[ . 1 . 2]" 1
215 1 18 LEU MD1 1 47 VAL MG2 . . 4.140 3.082 2.005 4.160 0.020 18 0 "[ . 1 . 2]" 1
216 1 18 LEU MD2 1 47 VAL MG1 . . 4.140 2.383 1.862 3.658 . 0 0 "[ . 1 . 2]" 1
217 1 18 LEU MD2 1 47 VAL MG2 . . 4.140 2.776 2.052 4.118 . 0 0 "[ . 1 . 2]" 1
218 1 18 LEU HG 1 21 ILE HB . . 4.960 4.091 3.519 4.663 . 0 0 "[ . 1 . 2]" 1
219 1 18 LEU HG 1 22 PHE QD . . 4.860 4.266 3.675 4.789 . 0 0 "[ . 1 . 2]" 1
220 1 18 LEU HG 1 22 PHE QE . . 6.000 3.297 2.511 4.619 . 0 0 "[ . 1 . 2]" 1
221 1 19 LYS H 1 20 ASP H . . 3.840 2.853 2.655 3.054 . 0 0 "[ . 1 . 2]" 1
222 1 19 LYS H 1 31 ALA MB . . 4.990 4.045 3.560 4.445 . 0 0 "[ . 1 . 2]" 1
223 1 19 LYS HA 1 22 PHE QB . . 5.360 4.196 3.780 4.741 . 0 0 "[ . 1 . 2]" 1
224 1 19 LYS HA 1 31 ALA MB . . 4.450 3.305 2.650 3.734 . 0 0 "[ . 1 . 2]" 1
225 1 19 LYS HA 1 47 VAL MG1 . . 5.710 4.002 3.322 4.656 . 0 0 "[ . 1 . 2]" 1
226 1 19 LYS HA 1 47 VAL QG . . 4.800 3.877 3.295 4.465 . 0 0 "[ . 1 . 2]" 1
227 1 19 LYS HA 1 47 VAL MG2 . . 5.710 5.484 3.795 5.766 0.056 10 0 "[ . 1 . 2]" 1
228 1 19 LYS QB 1 31 ALA MB . . 3.960 3.159 2.272 3.969 0.009 6 0 "[ . 1 . 2]" 1
229 1 19 LYS QD 1 20 ASP HA . . 4.110 3.708 2.839 4.142 0.032 3 0 "[ . 1 . 2]" 1
230 1 19 LYS QD 1 23 LYS QB . . 3.940 3.054 2.388 3.715 . 0 0 "[ . 1 . 2]" 1
231 1 19 LYS QE 1 23 LYS QG . . 4.720 4.650 3.948 4.751 0.031 18 0 "[ . 1 . 2]" 1
232 1 19 LYS QE 1 28 VAL QG . . 5.130 3.190 1.834 3.920 . 0 0 "[ . 1 . 2]" 1
233 1 19 LYS QE 1 31 ALA MB . . 5.810 4.924 3.471 5.829 0.019 11 0 "[ . 1 . 2]" 1
234 1 19 LYS QG 1 20 ASP HA . . 4.800 4.074 3.380 4.834 0.034 8 0 "[ . 1 . 2]" 1
235 1 20 ASP H 1 20 ASP QB . . 3.670 2.232 2.081 2.441 . 0 0 "[ . 1 . 2]" 1
236 1 20 ASP HA 1 23 LYS QD . . 4.410 3.043 2.263 4.477 0.067 6 0 "[ . 1 . 2]" 1
237 1 20 ASP HA 1 23 LYS QE . . 4.390 3.859 2.178 4.433 0.043 17 0 "[ . 1 . 2]" 1
238 1 20 ASP HA 1 23 LYS QG . . 4.200 3.806 2.480 4.214 0.014 10 0 "[ . 1 . 2]" 1
239 1 21 ILE H 1 21 ILE HB . . 4.110 2.646 2.578 2.729 . 0 0 "[ . 1 . 2]" 1
240 1 21 ILE H 1 21 ILE QG . . 3.990 1.994 1.940 2.103 . 0 0 "[ . 1 . 2]" 1
241 1 21 ILE H 1 22 PHE H . . 4.900 2.872 2.750 3.016 . 0 0 "[ . 1 . 2]" 1
242 1 21 ILE H 1 23 LYS H . . 4.560 4.103 4.004 4.212 . 0 0 "[ . 1 . 2]" 1
243 1 21 ILE HB 1 21 ILE MD . . 3.700 2.520 2.345 2.616 . 0 0 "[ . 1 . 2]" 1
244 1 21 ILE HB 1 22 PHE QD . . 4.470 2.715 2.412 3.003 . 0 0 "[ . 1 . 2]" 1
245 1 21 ILE MD 1 21 ILE MG . . 3.650 2.040 2.000 2.068 . 0 0 "[ . 1 . 2]" 1
246 1 21 ILE MD 1 22 PHE QE . . 4.680 3.128 2.765 3.565 . 0 0 "[ . 1 . 2]" 1
247 1 21 ILE MD 1 22 PHE HZ . . 4.730 4.259 3.726 4.730 0.000 6 0 "[ . 1 . 2]" 1
248 1 21 ILE MG 1 22 PHE HA . . 5.250 3.740 3.365 4.108 . 0 0 "[ . 1 . 2]" 1
249 1 21 ILE MG 1 22 PHE QD . . 4.880 3.418 3.145 3.669 . 0 0 "[ . 1 . 2]" 1
250 1 21 ILE MG 1 22 PHE QE . . 5.230 2.938 2.647 3.443 . 0 0 "[ . 1 . 2]" 1
251 1 21 ILE MG 1 22 PHE HZ . . 5.800 3.198 2.778 3.834 . 0 0 "[ . 1 . 2]" 1
252 1 21 ILE MG 1 62 TYR QD . . 5.460 3.343 2.697 4.558 . 0 0 "[ . 1 . 2]" 1
253 1 21 ILE MG 1 62 TYR QE . . 4.770 3.781 2.352 4.685 . 0 0 "[ . 1 . 2]" 1
254 1 21 ILE MG 1 67 ILE MD . . 4.180 2.142 2.028 2.621 . 0 0 "[ . 1 . 2]" 1
255 1 22 PHE H 1 23 LYS H . . 4.960 2.240 1.996 2.556 . 0 0 "[ . 1 . 2]" 1
256 1 22 PHE HA 1 62 TYR QE . . 4.750 3.424 2.868 4.017 . 0 0 "[ . 1 . 2]" 1
257 1 22 PHE QB 1 28 VAL QG . . 4.570 3.738 2.453 4.589 0.019 11 0 "[ . 1 . 2]" 1
258 1 22 PHE QB 1 47 VAL QG . . 3.970 3.450 2.989 3.979 0.009 15 0 "[ . 1 . 2]" 1
259 1 22 PHE QB 1 49 PHE QE . . 5.350 3.859 3.211 4.514 . 0 0 "[ . 1 . 2]" 1
260 1 22 PHE QB 1 50 TYR QD . . 4.300 4.340 4.317 4.373 0.073 10 0 "[ . 1 . 2]" 1
261 1 22 PHE HB2 1 47 VAL MG1 . . 5.710 3.834 3.273 4.739 . 0 0 "[ . 1 . 2]" 1
262 1 22 PHE HB2 1 47 VAL MG2 . . 5.710 5.043 4.071 5.339 . 0 0 "[ . 1 . 2]" 1
263 1 22 PHE HB3 1 47 VAL MG1 . . 5.710 4.502 3.778 5.715 0.005 13 0 "[ . 1 . 2]" 1
264 1 22 PHE HB3 1 47 VAL MG2 . . 5.710 5.492 4.729 5.748 0.038 20 0 "[ . 1 . 2]" 1
265 1 22 PHE QD 1 47 VAL MG1 . . 5.110 2.749 2.320 3.048 . 0 0 "[ . 1 . 2]" 1
266 1 22 PHE QD 1 47 VAL MG2 . . 5.110 3.510 2.448 3.732 . 0 0 "[ . 1 . 2]" 1
267 1 22 PHE QD 1 49 PHE QE . . 4.710 3.130 2.633 3.502 . 0 0 "[ . 1 . 2]" 1
268 1 22 PHE QD 1 58 ALA MB . . 4.320 2.883 2.269 3.523 . 0 0 "[ . 1 . 2]" 1
269 1 22 PHE QD 1 62 TYR QD . . 5.610 3.353 2.634 4.173 . 0 0 "[ . 1 . 2]" 1
270 1 22 PHE QD 1 74 VAL QG . . 5.920 4.818 4.262 5.147 . 0 0 "[ . 1 . 2]" 1
271 1 22 PHE QE 1 47 VAL QG . . 5.400 2.241 2.062 2.403 . 0 0 "[ . 1 . 2]" 1
272 1 22 PHE QE 1 58 ALA MB . . 4.550 3.084 2.376 3.719 . 0 0 "[ . 1 . 2]" 1
273 1 22 PHE QE 1 62 TYR QB . . 4.610 3.316 2.646 3.784 . 0 0 "[ . 1 . 2]" 1
274 1 22 PHE QE 1 62 TYR QD . . 4.900 2.876 2.508 3.675 . 0 0 "[ . 1 . 2]" 1
275 1 22 PHE QE 1 72 LEU QD . . 4.780 3.818 2.867 4.709 . 0 0 "[ . 1 . 2]" 1
276 1 22 PHE QE 1 74 VAL MG1 . . 5.030 3.609 3.004 4.002 . 0 0 "[ . 1 . 2]" 1
277 1 22 PHE QE 1 74 VAL QG . . 3.990 3.182 2.601 3.524 . 0 0 "[ . 1 . 2]" 1
278 1 22 PHE QE 1 74 VAL MG2 . . 5.030 3.592 2.849 4.359 . 0 0 "[ . 1 . 2]" 1
279 1 22 PHE HZ 1 62 TYR HB2 . . 5.340 4.663 3.602 5.345 0.005 18 0 "[ . 1 . 2]" 1
280 1 22 PHE HZ 1 62 TYR HB3 . . 5.340 4.785 3.797 5.358 0.018 20 0 "[ . 1 . 2]" 1
281 1 22 PHE HZ 1 74 VAL MG1 . . 4.280 3.657 2.752 4.282 0.002 18 0 "[ . 1 . 2]" 1
282 1 22 PHE HZ 1 74 VAL MG2 . . 4.280 3.379 2.638 4.291 0.011 20 0 "[ . 1 . 2]" 1
283 1 23 LYS HA 1 26 GLY H . . 5.030 3.831 3.136 4.189 . 0 0 "[ . 1 . 2]" 1
284 1 23 LYS HA 1 28 VAL QG . . 3.850 3.405 2.354 3.860 0.010 19 0 "[ . 1 . 2]" 1
285 1 23 LYS QB 1 23 LYS QD . . 3.070 2.284 2.110 2.595 . 0 0 "[ . 1 . 2]" 1
286 1 23 LYS QG 1 28 VAL HB . . 3.180 2.596 2.250 3.238 0.058 6 0 "[ . 1 . 2]" 1
287 1 25 CYS H 1 25 CYS QB . . 3.640 2.300 2.113 2.479 . 0 0 "[ . 1 . 2]" 1
288 1 25 CYS H 1 26 GLY H . . 4.390 2.807 2.188 2.989 . 0 0 "[ . 1 . 2]" 1
289 1 27 ASN H 1 27 ASN HB2 . . 4.150 2.919 2.384 3.897 . 0 0 "[ . 1 . 2]" 1
290 1 27 ASN H 1 27 ASN QB . . 3.600 2.594 2.197 3.155 . 0 0 "[ . 1 . 2]" 1
291 1 27 ASN H 1 27 ASN HB3 . . 4.150 3.117 2.500 3.876 . 0 0 "[ . 1 . 2]" 1
292 1 27 ASN QB 1 50 TYR QD . . 4.210 4.036 3.681 4.232 0.022 13 0 "[ . 1 . 2]" 1
293 1 27 ASN QB 1 50 TYR QE . . 5.810 3.164 2.548 4.596 . 0 0 "[ . 1 . 2]" 1
294 1 28 VAL H 1 28 VAL HB . . 3.830 3.208 2.280 3.445 . 0 0 "[ . 1 . 2]" 1
295 1 28 VAL H 1 28 VAL QG . . 4.180 2.564 2.080 2.767 . 0 0 "[ . 1 . 2]" 1
296 1 28 VAL QG 1 29 ALA H . . 4.260 2.268 2.152 2.424 . 0 0 "[ . 1 . 2]" 1
297 1 28 VAL QG 1 30 HIS H . . 4.160 3.792 2.949 4.183 0.023 16 0 "[ . 1 . 2]" 1
298 1 28 VAL QG 1 30 HIS HA . . 5.310 3.711 3.195 4.024 . 0 0 "[ . 1 . 2]" 1
299 1 28 VAL QG 1 50 TYR QD . . 4.800 4.827 4.704 4.859 0.059 5 0 "[ . 1 . 2]" 1
300 1 29 ALA H 1 30 HIS H . . 4.120 3.465 3.023 3.890 . 0 0 "[ . 1 . 2]" 1
301 1 29 ALA HA 1 50 TYR QB . . 5.730 5.569 4.332 5.760 0.030 11 0 "[ . 1 . 2]" 1
302 1 29 ALA HA 1 50 TYR QE . . 4.360 4.336 4.087 4.391 0.031 10 0 "[ . 1 . 2]" 1
303 1 29 ALA MB 1 30 HIS H . . 4.170 1.897 1.820 2.050 . 0 0 "[ . 1 . 2]" 1
304 1 29 ALA MB 1 30 HIS HD2 . . 6.000 6.011 5.832 6.042 0.042 14 0 "[ . 1 . 2]" 1
305 1 29 ALA MB 1 31 ALA MB . . 4.770 4.764 4.362 4.803 0.033 18 0 "[ . 1 . 2]" 1
306 1 29 ALA MB 1 48 SER QB . . 4.570 3.647 2.705 4.384 . 0 0 "[ . 1 . 2]" 1
307 1 29 ALA MB 1 49 PHE QB . . 5.570 4.470 4.183 4.966 . 0 0 "[ . 1 . 2]" 1
308 1 29 ALA MB 1 50 TYR HA . . 5.330 2.636 2.242 3.691 . 0 0 "[ . 1 . 2]" 1
309 1 29 ALA MB 1 50 TYR QD . . 5.350 2.877 2.537 3.292 . 0 0 "[ . 1 . 2]" 1
310 1 29 ALA MB 1 50 TYR QE . . 4.980 3.415 2.785 3.761 . 0 0 "[ . 1 . 2]" 1
311 1 30 HIS H 1 48 SER H . . 4.390 3.764 3.348 3.941 . 0 0 "[ . 1 . 2]" 1
312 1 30 HIS H 1 48 SER QB . . 4.570 3.292 2.522 4.080 . 0 0 "[ . 1 . 2]" 1
313 1 30 HIS QB 1 48 SER QB . . 4.530 2.272 2.115 2.733 . 0 0 "[ . 1 . 2]" 1
314 1 31 ALA HA 1 47 VAL HA . . 3.550 2.440 2.137 3.019 . 0 0 "[ . 1 . 2]" 1
315 1 31 ALA HA 1 47 VAL MG1 . . 5.260 3.523 2.715 4.027 . 0 0 "[ . 1 . 2]" 1
316 1 31 ALA HA 1 47 VAL QG . . 4.630 3.389 2.703 3.862 . 0 0 "[ . 1 . 2]" 1
317 1 31 ALA HA 1 47 VAL MG2 . . 5.260 4.634 3.138 5.275 0.015 8 0 "[ . 1 . 2]" 1
318 1 31 ALA HA 1 48 SER H . . 4.700 2.769 2.472 3.257 . 0 0 "[ . 1 . 2]" 1
319 1 31 ALA MB 1 32 ASP H . . 4.620 2.423 2.149 3.083 . 0 0 "[ . 1 . 2]" 1
320 1 31 ALA MB 1 47 VAL HA . . 4.600 2.637 2.273 3.668 . 0 0 "[ . 1 . 2]" 1
321 1 31 ALA MB 1 47 VAL MG1 . . 4.370 2.218 2.009 2.706 . 0 0 "[ . 1 . 2]" 1
322 1 31 ALA MB 1 47 VAL QG . . 3.670 2.179 2.005 2.545 . 0 0 "[ . 1 . 2]" 1
323 1 31 ALA MB 1 47 VAL MG2 . . 4.370 3.503 2.912 4.381 0.011 15 0 "[ . 1 . 2]" 1
324 1 32 ASP H 1 33 VAL QG . . 4.730 3.844 3.404 4.121 . 0 0 "[ . 1 . 2]" 1
325 1 32 ASP H 1 47 VAL HA . . 5.320 3.575 3.281 4.136 . 0 0 "[ . 1 . 2]" 1
326 1 33 VAL H 1 33 VAL HB . . 4.130 3.585 2.997 3.978 . 0 0 "[ . 1 . 2]" 1
327 1 33 VAL H 1 33 VAL MG1 . . 4.780 3.693 3.301 4.093 . 0 0 "[ . 1 . 2]" 1
328 1 33 VAL H 1 33 VAL QG . . 4.000 2.707 2.351 3.168 . 0 0 "[ . 1 . 2]" 1
329 1 33 VAL H 1 33 VAL MG2 . . 4.780 2.787 2.405 3.306 . 0 0 "[ . 1 . 2]" 1
330 1 33 VAL HA 1 46 THR H . . 5.510 3.559 2.786 4.748 . 0 0 "[ . 1 . 2]" 1
331 1 33 VAL HB 1 34 GLU HA . . 4.400 4.437 4.372 4.496 0.096 11 0 "[ . 1 . 2]" 1
332 1 33 VAL QG 1 34 GLU H . . 4.000 2.891 2.342 3.364 . 0 0 "[ . 1 . 2]" 1
333 1 33 VAL QG 1 34 GLU HA . . 4.780 3.841 3.397 4.546 . 0 0 "[ . 1 . 2]" 1
334 1 33 VAL QG 1 45 GLY H . . 4.950 4.218 3.719 4.817 . 0 0 "[ . 1 . 2]" 1
335 1 33 VAL QG 1 45 GLY QA . . 3.800 2.328 2.045 2.752 . 0 0 "[ . 1 . 2]" 1
336 1 33 VAL QG 1 46 THR HA . . 5.920 5.600 4.719 5.930 0.010 8 0 "[ . 1 . 2]" 1
337 1 33 VAL MG1 1 34 GLU H . . 5.170 3.102 2.354 3.696 . 0 0 "[ . 1 . 2]" 1
338 1 33 VAL MG2 1 34 GLU H . . 5.170 3.911 3.269 4.347 . 0 0 "[ . 1 . 2]" 1
339 1 34 GLU H 1 34 GLU QB . . 3.680 2.557 2.377 2.682 . 0 0 "[ . 1 . 2]" 1
340 1 34 GLU H 1 34 GLU QG . . 5.050 3.714 2.626 4.244 . 0 0 "[ . 1 . 2]" 1
341 1 34 GLU HA 1 35 LEU H . . 3.290 2.230 2.121 2.436 . 0 0 "[ . 1 . 2]" 1
342 1 34 GLU QB 1 42 THR MG . . 4.380 4.070 2.499 4.410 0.030 11 0 "[ . 1 . 2]" 1
343 1 35 LEU H 1 35 LEU QB . . 3.390 2.612 2.278 3.092 . 0 0 "[ . 1 . 2]" 1
344 1 35 LEU H 1 35 LEU MD1 . . 5.730 3.549 2.113 4.241 . 0 0 "[ . 1 . 2]" 1
345 1 35 LEU H 1 35 LEU QD . . 4.730 2.720 2.100 3.099 . 0 0 "[ . 1 . 2]" 1
346 1 35 LEU H 1 35 LEU MD2 . . 5.730 3.329 2.105 4.615 . 0 0 "[ . 1 . 2]" 1
347 1 35 LEU H 1 35 LEU HG . . 3.580 2.871 2.272 3.627 0.047 17 0 "[ . 1 . 2]" 1
348 1 35 LEU H 1 42 THR MG . . 5.390 4.539 3.933 5.209 . 0 0 "[ . 1 . 2]" 1
349 1 35 LEU HA 1 35 LEU QD . . 3.670 2.617 2.109 3.475 . 0 0 "[ . 1 . 2]" 1
350 1 35 LEU HA 1 42 THR H . . 4.660 3.950 2.779 4.680 0.020 4 0 "[ . 1 . 2]" 1
351 1 35 LEU HA 1 42 THR MG . . 4.540 2.590 1.986 3.420 . 0 0 "[ . 1 . 2]" 1
352 1 35 LEU QB 1 36 ASP H . . 4.400 2.486 1.917 3.046 . 0 0 "[ . 1 . 2]" 1
353 1 35 LEU QB 1 39 GLY QA . . 4.290 3.595 2.655 4.332 0.042 7 0 "[ . 1 . 2]" 1
354 1 35 LEU QB 1 41 SER H . . 5.630 3.727 2.290 5.016 . 0 0 "[ . 1 . 2]" 1
355 1 35 LEU QD 1 36 ASP QB . . 5.120 4.650 4.050 5.129 0.009 9 0 "[ . 1 . 2]" 1
356 1 35 LEU QD 1 39 GLY QA . . 4.790 3.392 2.091 4.817 0.027 7 0 "[ . 1 . 2]" 1
357 1 35 LEU QD 1 40 VAL H . . 5.290 4.014 3.237 4.588 . 0 0 "[ . 1 . 2]" 1
358 1 35 LEU QD 1 40 VAL HA . . 4.290 4.087 3.108 4.316 0.026 2 0 "[ . 1 . 2]" 1
359 1 35 LEU QD 1 41 SER QB . . 3.690 2.977 2.283 3.489 . 0 0 "[ . 1 . 2]" 1
360 1 35 LEU QD 1 42 THR H . . 4.260 3.286 2.014 4.281 0.021 12 0 "[ . 1 . 2]" 1
361 1 35 LEU MD1 1 41 SER HB2 . . 4.740 4.278 3.211 4.761 0.021 5 0 "[ . 1 . 2]" 1
362 1 35 LEU MD1 1 41 SER HB3 . . 4.740 4.277 2.891 4.779 0.039 13 0 "[ . 1 . 2]" 1
363 1 35 LEU MD2 1 41 SER HB2 . . 4.740 3.991 3.099 4.743 0.003 19 0 "[ . 1 . 2]" 1
364 1 35 LEU MD2 1 41 SER HB3 . . 4.740 3.754 2.372 4.760 0.020 4 0 "[ . 1 . 2]" 1
365 1 36 ASP H 1 39 GLY H . . 4.830 4.616 3.999 4.855 0.025 6 0 "[ . 1 . 2]" 1
366 1 36 ASP H 1 40 VAL H . . 4.110 3.581 2.732 4.148 0.038 4 0 "[ . 1 . 2]" 1
367 1 36 ASP H 1 40 VAL HB . . 5.790 5.051 3.896 5.851 0.061 7 0 "[ . 1 . 2]" 1
368 1 36 ASP H 1 41 SER HA . . 4.990 4.002 3.387 5.031 0.041 7 0 "[ . 1 . 2]" 1
369 1 36 ASP H 1 42 THR MG . . 4.660 3.082 2.218 4.103 . 0 0 "[ . 1 . 2]" 1
370 1 36 ASP HA 1 42 THR MG . . 5.040 4.357 3.412 5.077 0.037 4 0 "[ . 1 . 2]" 1
371 1 36 ASP QB 1 37 GLY H . . 3.910 3.381 2.524 3.662 . 0 0 "[ . 1 . 2]" 1
372 1 36 ASP QB 1 42 THR MG . . 4.110 3.467 2.188 4.128 0.018 2 0 "[ . 1 . 2]" 1
373 1 38 ASP H 1 38 ASP QB . . 3.550 2.405 2.221 3.080 . 0 0 "[ . 1 . 2]" 1
374 1 38 ASP QB 1 40 VAL QG . . 4.130 2.639 2.093 4.139 0.009 7 0 "[ . 1 . 2]" 1
375 1 39 GLY QA 1 40 VAL QG . . 4.270 3.708 3.378 4.273 0.003 8 0 "[ . 1 . 2]" 1
376 1 40 VAL H 1 40 VAL HB . . 3.930 3.134 2.403 3.945 0.015 15 0 "[ . 1 . 2]" 1
377 1 40 VAL H 1 40 VAL QG . . 3.830 2.369 1.972 2.858 . 0 0 "[ . 1 . 2]" 1
378 1 40 VAL QG 1 41 SER H . . 4.320 3.135 2.250 3.825 . 0 0 "[ . 1 . 2]" 1
379 1 40 VAL QG 1 41 SER QB . . 5.050 4.044 2.407 4.794 . 0 0 "[ . 1 . 2]" 1
380 1 41 SER H 1 41 SER QB . . 3.220 2.756 2.208 3.272 0.052 7 0 "[ . 1 . 2]" 1
381 1 42 THR H 1 42 THR MG . . 4.200 3.099 2.371 3.896 . 0 0 "[ . 1 . 2]" 1
382 1 42 THR H 1 43 GLY H . . 4.270 3.046 1.838 4.316 0.046 8 0 "[ . 1 . 2]" 1
383 1 43 GLY H 1 44 SER H . . 4.430 3.155 2.279 3.923 . 0 0 "[ . 1 . 2]" 1
384 1 44 SER H 1 45 GLY H . . 4.470 4.523 4.461 4.567 0.097 6 0 "[ . 1 . 2]" 1
385 1 46 THR HB 1 47 VAL H . . 4.580 3.339 2.525 4.195 . 0 0 "[ . 1 . 2]" 1
386 1 46 THR MG 1 47 VAL H . . 4.750 3.196 2.349 3.973 . 0 0 "[ . 1 . 2]" 1
387 1 47 VAL HB 1 49 PHE QE . . 5.150 3.907 2.893 5.157 0.007 18 0 "[ . 1 . 2]" 1
388 1 47 VAL QG 1 48 SER H . . 4.480 2.899 2.391 3.516 . 0 0 "[ . 1 . 2]" 1
389 1 47 VAL QG 1 49 PHE QD . . 4.900 3.110 2.542 3.901 . 0 0 "[ . 1 . 2]" 1
390 1 47 VAL QG 1 49 PHE QE . . 4.640 3.034 2.362 3.836 . 0 0 "[ . 1 . 2]" 1
391 1 48 SER HA 1 49 PHE QD . . 5.340 4.409 3.792 5.071 . 0 0 "[ . 1 . 2]" 1
392 1 49 PHE H 1 49 PHE QD . . 4.670 3.691 3.348 3.961 . 0 0 "[ . 1 . 2]" 1
393 1 49 PHE HA 1 51 ASP H . . 5.570 4.583 4.364 4.917 . 0 0 "[ . 1 . 2]" 1
394 1 49 PHE QB 1 50 TYR QD . . 5.300 4.503 4.157 4.875 . 0 0 "[ . 1 . 2]" 1
395 1 49 PHE QB 1 51 ASP H . . 4.400 3.011 2.640 3.566 . 0 0 "[ . 1 . 2]" 1
396 1 49 PHE QD 1 50 TYR QB . . 4.390 2.989 2.743 3.502 . 0 0 "[ . 1 . 2]" 1
397 1 49 PHE QD 1 53 LYS QE . . 4.500 4.549 4.528 4.575 0.075 5 0 "[ . 1 . 2]" 1
398 1 49 PHE QD 1 54 ASP HB2 . . 5.230 4.095 2.721 4.969 . 0 0 "[ . 1 . 2]" 1
399 1 49 PHE QD 1 54 ASP QB . . 4.560 2.791 2.135 3.455 . 0 0 "[ . 1 . 2]" 1
400 1 49 PHE QD 1 54 ASP HB3 . . 5.230 2.931 2.152 4.013 . 0 0 "[ . 1 . 2]" 1
401 1 49 PHE QD 1 55 LEU HA . . 4.880 3.303 2.876 4.344 . 0 0 "[ . 1 . 2]" 1
402 1 49 PHE QD 1 55 LEU QB . . 5.610 2.979 2.266 4.904 . 0 0 "[ . 1 . 2]" 1
403 1 49 PHE QD 1 55 LEU MD1 . . 5.410 3.449 2.412 4.863 . 0 0 "[ . 1 . 2]" 1
404 1 49 PHE QD 1 55 LEU QD . . 4.100 3.246 2.405 3.471 . 0 0 "[ . 1 . 2]" 1
405 1 49 PHE QD 1 55 LEU MD2 . . 5.410 4.402 2.897 4.932 . 0 0 "[ . 1 . 2]" 1
406 1 49 PHE QD 1 55 LEU HG . . 4.720 3.608 3.201 4.793 0.073 16 0 "[ . 1 . 2]" 1
407 1 49 PHE QE 1 50 TYR QD . . 3.310 2.473 2.268 2.751 . 0 0 "[ . 1 . 2]" 1
408 1 49 PHE QE 1 55 LEU HA . . 4.530 2.941 2.472 3.483 . 0 0 "[ . 1 . 2]" 1
409 1 49 PHE QE 1 55 LEU QD . . 4.280 4.069 3.120 4.300 0.020 1 0 "[ . 1 . 2]" 1
410 1 49 PHE QE 1 58 ALA MB . . 4.100 2.540 2.353 2.717 . 0 0 "[ . 1 . 2]" 1
411 1 50 TYR H 1 50 TYR QD . . 4.770 2.488 2.245 2.885 . 0 0 "[ . 1 . 2]" 1
412 1 50 TYR H 1 51 ASP H . . 4.530 2.919 2.748 3.083 . 0 0 "[ . 1 . 2]" 1
413 1 50 TYR HA 1 50 TYR QD . . 4.540 2.778 2.501 3.069 . 0 0 "[ . 1 . 2]" 1
414 1 50 TYR QD 1 53 LYS QE . . 4.420 4.308 3.667 4.447 0.027 20 0 "[ . 1 . 2]" 1
415 1 50 TYR QD 1 58 ALA MB . . 4.340 4.369 4.351 4.390 0.050 17 0 "[ . 1 . 2]" 1
416 1 51 ASP H 1 55 LEU QD . . 4.680 4.607 3.687 4.704 0.024 3 0 "[ . 1 . 2]" 1
417 1 51 ASP QB 1 53 LYS QB . . 4.940 3.771 3.570 4.248 . 0 0 "[ . 1 . 2]" 1
418 1 52 ILE H 1 52 ILE HB . . 4.120 2.389 2.111 2.776 . 0 0 "[ . 1 . 2]" 1
419 1 52 ILE H 1 52 ILE QG . . 4.980 3.296 2.000 4.096 . 0 0 "[ . 1 . 2]" 1
420 1 52 ILE H 1 52 ILE MG . . 4.200 3.210 2.143 3.814 . 0 0 "[ . 1 . 2]" 1
421 1 52 ILE HA 1 52 ILE MD . . 4.450 3.241 2.167 3.899 . 0 0 "[ . 1 . 2]" 1
422 1 52 ILE HA 1 55 LEU QB . . 3.660 2.310 2.052 3.679 0.019 13 0 "[ . 1 . 2]" 1
423 1 52 ILE QG 1 55 LEU QD . . 4.210 2.992 2.549 3.788 . 0 0 "[ . 1 . 2]" 1
424 1 52 ILE MG 1 53 LYS H . . 4.400 3.077 2.279 3.759 . 0 0 "[ . 1 . 2]" 1
425 1 52 ILE MG 1 53 LYS HA . . 5.600 3.661 3.215 3.995 . 0 0 "[ . 1 . 2]" 1
426 1 53 LYS H 1 53 LYS HG2 . . 5.070 3.184 2.775 3.865 . 0 0 "[ . 1 . 2]" 1
427 1 53 LYS H 1 53 LYS QG . . 4.290 2.410 2.076 3.513 . 0 0 "[ . 1 . 2]" 1
428 1 53 LYS H 1 53 LYS HG3 . . 5.070 2.557 2.106 4.058 . 0 0 "[ . 1 . 2]" 1
429 1 53 LYS H 1 54 ASP H . . 4.290 2.952 2.871 3.088 . 0 0 "[ . 1 . 2]" 1
430 1 53 LYS HA 1 56 HIS H . . 5.030 4.457 3.870 4.989 . 0 0 "[ . 1 . 2]" 1
431 1 53 LYS HA 1 56 HIS QB . . 4.900 4.145 3.251 4.852 . 0 0 "[ . 1 . 2]" 1
432 1 53 LYS HA 1 56 HIS HD2 . . 5.350 5.306 4.613 5.379 0.029 11 0 "[ . 1 . 2]" 1
433 1 53 LYS HA 1 57 ARG QD . . 4.730 4.668 4.366 4.785 0.055 11 0 "[ . 1 . 2]" 1
434 1 53 LYS QB 1 54 ASP HA . . 4.150 4.220 4.181 4.261 0.111 11 0 "[ . 1 . 2]" 1
435 1 53 LYS QB 1 57 ARG QD . . 4.390 4.229 3.738 4.421 0.031 5 0 "[ . 1 . 2]" 1
436 1 54 ASP HA 1 57 ARG H . . 5.010 3.259 2.819 3.779 . 0 0 "[ . 1 . 2]" 1
437 1 54 ASP HA 1 57 ARG QB . . 4.580 2.841 2.275 4.314 . 0 0 "[ . 1 . 2]" 1
438 1 54 ASP HA 1 57 ARG QD . . 5.220 2.611 2.105 3.925 . 0 0 "[ . 1 . 2]" 1
439 1 55 LEU H 1 55 LEU HG . . 4.300 4.235 3.619 4.332 0.032 16 0 "[ . 1 . 2]" 1
440 1 55 LEU H 1 56 HIS H . . 4.490 2.896 2.726 3.004 . 0 0 "[ . 1 . 2]" 1
441 1 55 LEU HA 1 55 LEU HG . . 3.900 2.589 2.429 3.824 . 0 0 "[ . 1 . 2]" 1
442 1 55 LEU HA 1 57 ARG H . . 5.320 4.401 4.131 4.874 . 0 0 "[ . 1 . 2]" 1
443 1 55 LEU HA 1 58 ALA H . . 5.350 3.568 3.261 3.760 . 0 0 "[ . 1 . 2]" 1
444 1 55 LEU HA 1 58 ALA MB . . 4.250 2.538 2.318 2.673 . 0 0 "[ . 1 . 2]" 1
445 1 55 LEU HA 1 59 ILE QG . . 4.680 4.657 4.426 4.731 0.051 3 0 "[ . 1 . 2]" 1
446 1 55 LEU QB 1 56 HIS H . . 4.070 2.415 2.307 2.525 . 0 0 "[ . 1 . 2]" 1
447 1 55 LEU QB 1 56 HIS HD2 . . 5.520 2.567 2.280 3.044 . 0 0 "[ . 1 . 2]" 1
448 1 55 LEU QD 1 56 HIS HA . . 4.950 3.399 3.010 4.982 0.032 13 0 "[ . 1 . 2]" 1
449 1 55 LEU QD 1 56 HIS HD2 . . 5.270 2.801 2.367 3.906 . 0 0 "[ . 1 . 2]" 1
450 1 55 LEU QD 1 76 SER HA . . 5.920 4.223 3.257 5.467 . 0 0 "[ . 1 . 2]" 1
451 1 55 LEU QD 1 76 SER QB . . 4.180 2.814 2.126 4.175 . 0 0 "[ . 1 . 2]" 1
452 1 56 HIS H 1 56 HIS QB . . 3.570 2.309 2.231 2.604 . 0 0 "[ . 1 . 2]" 1
453 1 56 HIS H 1 57 ARG H . . 4.250 2.799 2.679 2.945 . 0 0 "[ . 1 . 2]" 1
454 1 56 HIS HA 1 59 ILE H . . 5.400 3.614 3.344 4.116 . 0 0 "[ . 1 . 2]" 1
455 1 56 HIS HA 1 59 ILE HB . . 4.490 3.312 2.449 4.617 0.127 16 0 "[ . 1 . 2]" 1
456 1 56 HIS HD2 1 59 ILE QG . . 5.370 5.166 4.104 5.404 0.034 11 0 "[ . 1 . 2]" 1
457 1 56 HIS HD2 1 59 ILE MG . . 5.640 5.241 3.947 5.660 0.020 15 0 "[ . 1 . 2]" 1
458 1 57 ARG H 1 57 ARG QG . . 4.840 2.723 1.920 3.586 . 0 0 "[ . 1 . 2]" 1
459 1 57 ARG H 1 58 ALA H . . 4.270 2.630 2.556 2.743 . 0 0 "[ . 1 . 2]" 1
460 1 57 ARG HA 1 60 GLU H . . 4.940 3.949 3.377 4.665 . 0 0 "[ . 1 . 2]" 1
461 1 58 ALA H 1 59 ILE H . . 3.970 2.820 2.652 2.989 . 0 0 "[ . 1 . 2]" 1
462 1 58 ALA HA 1 61 LYS H . . 5.040 3.277 3.114 3.487 . 0 0 "[ . 1 . 2]" 1
463 1 58 ALA MB 1 59 ILE H . . 4.540 2.613 2.455 2.750 . 0 0 "[ . 1 . 2]" 1
464 1 58 ALA MB 1 62 TYR QD . . 5.090 2.315 2.181 2.539 . 0 0 "[ . 1 . 2]" 1
465 1 58 ALA MB 1 62 TYR QE . . 5.980 2.632 2.244 3.223 . 0 0 "[ . 1 . 2]" 1
466 1 59 ILE H 1 59 ILE HB . . 3.880 2.475 2.051 3.698 . 0 0 "[ . 1 . 2]" 1
467 1 59 ILE H 1 59 ILE HG12 . . 4.580 3.398 2.639 4.006 . 0 0 "[ . 1 . 2]" 1
468 1 59 ILE H 1 59 ILE QG . . 3.800 3.081 2.102 3.734 . 0 0 "[ . 1 . 2]" 1
469 1 59 ILE H 1 59 ILE HG13 . . 4.580 3.766 2.130 4.461 . 0 0 "[ . 1 . 2]" 1
470 1 59 ILE H 1 60 GLU H . . 4.130 2.903 2.680 3.087 . 0 0 "[ . 1 . 2]" 1
471 1 59 ILE HA 1 59 ILE MD . . 4.190 2.704 2.186 4.094 . 0 0 "[ . 1 . 2]" 1
472 1 59 ILE HA 1 59 ILE QG . . 3.730 2.607 2.282 3.454 . 0 0 "[ . 1 . 2]" 1
473 1 59 ILE HA 1 74 VAL HB . . 4.810 3.498 2.531 3.961 . 0 0 "[ . 1 . 2]" 1
474 1 59 ILE HA 1 74 VAL QG . . 3.860 2.831 2.237 3.465 . 0 0 "[ . 1 . 2]" 1
475 1 59 ILE HB 1 59 ILE MD . . 3.320 2.995 2.193 3.272 . 0 0 "[ . 1 . 2]" 1
476 1 59 ILE HB 1 60 GLU H . . 4.100 3.657 3.354 4.112 0.012 16 0 "[ . 1 . 2]" 1
477 1 59 ILE MD 1 59 ILE MG . . 3.470 2.307 2.086 3.122 . 0 0 "[ . 1 . 2]" 1
478 1 59 ILE MD 1 60 GLU HA . . 4.540 4.344 3.154 4.583 0.043 6 0 "[ . 1 . 2]" 1
479 1 59 ILE MG 1 60 GLU H . . 4.910 2.918 2.313 4.296 . 0 0 "[ . 1 . 2]" 1
480 1 59 ILE MG 1 63 ASN QB . . 4.300 4.193 3.458 4.333 0.033 2 0 "[ . 1 . 2]" 1
481 1 60 GLU H 1 60 GLU QB . . 3.570 2.347 2.245 2.634 . 0 0 "[ . 1 . 2]" 1
482 1 60 GLU H 1 60 GLU HG2 . . 5.460 4.025 2.074 4.716 . 0 0 "[ . 1 . 2]" 1
483 1 60 GLU H 1 60 GLU QG . . 4.710 3.489 2.048 4.137 . 0 0 "[ . 1 . 2]" 1
484 1 60 GLU H 1 60 GLU HG3 . . 5.460 4.009 2.480 4.651 . 0 0 "[ . 1 . 2]" 1
485 1 60 GLU H 1 61 LYS H . . 4.290 2.455 2.347 2.581 . 0 0 "[ . 1 . 2]" 1
486 1 60 GLU QB 1 61 LYS H . . 4.150 2.860 2.562 3.830 . 0 0 "[ . 1 . 2]" 1
487 1 61 LYS H 1 62 TYR H . . 4.210 2.744 2.382 3.036 . 0 0 "[ . 1 . 2]" 1
488 1 61 LYS QB 1 62 TYR H . . 4.100 2.568 2.439 2.847 . 0 0 "[ . 1 . 2]" 1
489 1 61 LYS QB 1 62 TYR QD . . 4.650 3.276 2.649 3.878 . 0 0 "[ . 1 . 2]" 1
490 1 61 LYS HB2 1 62 TYR H . . 4.720 3.782 2.517 4.094 . 0 0 "[ . 1 . 2]" 1
491 1 61 LYS HB3 1 62 TYR H . . 4.720 2.695 2.469 3.591 . 0 0 "[ . 1 . 2]" 1
492 1 61 LYS QD 1 62 TYR QE . . 5.140 3.489 2.756 5.073 . 0 0 "[ . 1 . 2]" 1
493 1 61 LYS QE 1 62 TYR QE . . 5.650 3.767 2.655 5.167 . 0 0 "[ . 1 . 2]" 1
494 1 61 LYS QG 1 62 TYR QE . . 5.740 3.794 2.984 4.812 . 0 0 "[ . 1 . 2]" 1
495 1 62 TYR H 1 62 TYR QD . . 4.910 2.975 2.636 3.354 . 0 0 "[ . 1 . 2]" 1
496 1 62 TYR H 1 63 ASN H . . 4.230 2.532 2.412 2.789 . 0 0 "[ . 1 . 2]" 1
497 1 62 TYR HA 1 62 TYR QD . . 3.870 2.489 2.315 2.868 . 0 0 "[ . 1 . 2]" 1
498 1 62 TYR HA 1 62 TYR QE . . 5.540 4.515 4.404 4.648 . 0 0 "[ . 1 . 2]" 1
499 1 62 TYR HA 1 65 TYR H . . 5.430 3.838 3.620 4.168 . 0 0 "[ . 1 . 2]" 1
500 1 62 TYR HA 1 65 TYR QB . . 4.200 2.541 2.251 2.923 . 0 0 "[ . 1 . 2]" 1
501 1 62 TYR HA 1 65 TYR QD . . 5.180 3.914 3.196 4.423 . 0 0 "[ . 1 . 2]" 1
502 1 62 TYR QB 1 67 ILE MD . . 4.630 4.247 3.501 4.670 0.040 20 0 "[ . 1 . 2]" 1
503 1 62 TYR QB 1 74 VAL QG . . 3.930 2.659 2.098 3.332 . 0 0 "[ . 1 . 2]" 1
504 1 62 TYR QD 1 65 TYR HB2 . . 5.130 4.279 3.420 4.858 . 0 0 "[ . 1 . 2]" 1
505 1 62 TYR QD 1 65 TYR QB . . 4.500 3.343 2.867 3.836 . 0 0 "[ . 1 . 2]" 1
506 1 62 TYR QD 1 65 TYR HB3 . . 5.130 3.505 2.975 4.018 . 0 0 "[ . 1 . 2]" 1
507 1 62 TYR QD 1 65 TYR QD . . 4.800 3.143 2.609 3.755 . 0 0 "[ . 1 . 2]" 1
508 1 62 TYR QD 1 67 ILE MD . . 4.730 3.334 2.409 4.235 . 0 0 "[ . 1 . 2]" 1
509 1 62 TYR QE 1 65 TYR QD . . 5.530 4.537 3.676 5.437 . 0 0 "[ . 1 . 2]" 1
510 1 62 TYR QE 1 65 TYR QE . . 5.450 4.719 3.713 5.468 0.018 16 0 "[ . 1 . 2]" 1
511 1 62 TYR QE 1 67 ILE MD . . 5.650 3.830 2.676 5.658 0.008 3 0 "[ . 1 . 2]" 1
512 1 63 ASN H 1 63 ASN QB . . 3.700 2.225 2.128 2.295 . 0 0 "[ . 1 . 2]" 1
513 1 63 ASN H 1 63 ASN QD . . 4.510 4.509 4.434 4.552 0.042 8 0 "[ . 1 . 2]" 1
514 1 63 ASN HA 1 74 VAL H . . 4.630 3.969 3.560 4.638 0.008 5 0 "[ . 1 . 2]" 1
515 1 63 ASN HA 1 74 VAL HB . . 4.920 4.260 3.210 4.926 0.006 18 0 "[ . 1 . 2]" 1
516 1 63 ASN HA 1 74 VAL QG . . 4.410 2.756 2.238 4.099 . 0 0 "[ . 1 . 2]" 1
517 1 63 ASN QB 1 74 VAL H . . 5.480 3.736 3.097 4.698 . 0 0 "[ . 1 . 2]" 1
518 1 63 ASN QB 1 74 VAL HB . . 4.160 3.093 2.378 4.171 0.011 10 0 "[ . 1 . 2]" 1
519 1 64 GLY H 1 65 TYR H . . 4.320 2.527 2.362 2.843 . 0 0 "[ . 1 . 2]" 1
520 1 64 GLY H 1 71 VAL QG . . 5.270 3.604 2.211 5.275 0.005 20 0 "[ . 1 . 2]" 1
521 1 64 GLY QA 1 71 VAL QG . . 3.710 2.600 2.103 3.684 . 0 0 "[ . 1 . 2]" 1
522 1 65 TYR H 1 65 TYR QD . . 5.520 4.037 2.006 4.313 . 0 0 "[ . 1 . 2]" 1
523 1 65 TYR HA 1 65 TYR QD . . 4.490 2.679 2.393 3.720 . 0 0 "[ . 1 . 2]" 1
524 1 65 TYR QD 1 67 ILE HB . . 4.560 4.578 4.416 4.660 0.100 18 0 "[ . 1 . 2]" 1
525 1 65 TYR QD 1 67 ILE MD . . 3.890 2.273 2.084 2.436 . 0 0 "[ . 1 . 2]" 1
526 1 65 TYR QD 1 67 ILE HG12 . . 5.030 3.074 2.394 3.591 . 0 0 "[ . 1 . 2]" 1
527 1 65 TYR QD 1 67 ILE QG . . 4.160 2.252 2.125 2.399 . 0 0 "[ . 1 . 2]" 1
528 1 65 TYR QD 1 67 ILE HG13 . . 5.030 2.336 2.238 2.565 . 0 0 "[ . 1 . 2]" 1
529 1 65 TYR QD 1 72 LEU QD . . 4.170 3.233 2.616 3.978 . 0 0 "[ . 1 . 2]" 1
530 1 65 TYR QD 1 72 LEU HG . . 5.450 4.866 4.040 5.481 0.031 3 0 "[ . 1 . 2]" 1
531 1 65 TYR QE 1 67 ILE HB . . 4.780 4.672 3.219 4.837 0.057 13 0 "[ . 1 . 2]" 1
532 1 65 TYR QE 1 67 ILE QG . . 4.570 2.160 2.027 2.831 . 0 0 "[ . 1 . 2]" 1
533 1 65 TYR QE 1 67 ILE MG . . 3.810 3.747 3.043 3.906 0.096 20 0 "[ . 1 . 2]" 1
534 1 66 SER H 1 66 SER QB . . 3.700 2.974 2.415 3.196 . 0 0 "[ . 1 . 2]" 1
535 1 66 SER HA 1 71 VAL HA . . 3.850 2.689 2.158 3.339 . 0 0 "[ . 1 . 2]" 1
536 1 66 SER HA 1 71 VAL QG . . 4.990 3.946 3.440 4.548 . 0 0 "[ . 1 . 2]" 1
537 1 66 SER HA 1 72 LEU H . . 5.660 3.267 2.942 3.623 . 0 0 "[ . 1 . 2]" 1
538 1 66 SER QB 1 69 GLY H . . 4.040 3.964 3.699 4.064 0.024 7 0 "[ . 1 . 2]" 1
539 1 66 SER QB 1 71 VAL QG . . 5.230 2.983 2.320 3.987 . 0 0 "[ . 1 . 2]" 1
540 1 67 ILE H 1 67 ILE MD . . 4.500 4.082 2.222 4.513 0.013 20 0 "[ . 1 . 2]" 1
541 1 67 ILE H 1 69 GLY H . . 4.690 3.622 3.368 3.871 . 0 0 "[ . 1 . 2]" 1
542 1 67 ILE H 1 70 ASN H . . 4.810 4.775 4.512 4.851 0.041 12 0 "[ . 1 . 2]" 1
543 1 67 ILE HA 1 68 GLU QB . . 4.690 4.206 3.799 4.571 . 0 0 "[ . 1 . 2]" 1
544 1 67 ILE HB 1 72 LEU QD . . 4.270 3.504 2.411 4.268 . 0 0 "[ . 1 . 2]" 1
545 1 68 GLU H 1 68 GLU QG . . 4.430 3.658 2.705 4.423 . 0 0 "[ . 1 . 2]" 1
546 1 68 GLU H 1 69 GLY H . . 5.000 2.849 2.731 2.975 . 0 0 "[ . 1 . 2]" 1
547 1 68 GLU HA 1 68 GLU QG . . 3.650 2.735 2.233 3.003 . 0 0 "[ . 1 . 2]" 1
548 1 68 GLU QB 1 69 GLY QA . . 4.300 4.200 4.034 4.331 0.031 13 0 "[ . 1 . 2]" 1
549 1 70 ASN H 1 71 VAL H . . 4.520 4.532 4.462 4.574 0.054 9 0 "[ . 1 . 2]" 1
550 1 70 ASN QB 1 71 VAL QG . . 4.640 3.233 2.828 3.963 . 0 0 "[ . 1 . 2]" 1
551 1 71 VAL H 1 71 VAL MG1 . . 4.600 2.540 2.217 3.832 . 0 0 "[ . 1 . 2]" 1
552 1 71 VAL H 1 71 VAL QG . . 3.740 2.173 2.044 2.420 . 0 0 "[ . 1 . 2]" 1
553 1 71 VAL H 1 71 VAL MG2 . . 4.600 2.844 2.191 3.848 . 0 0 "[ . 1 . 2]" 1
554 1 71 VAL QG 1 72 LEU H . . 4.520 2.992 2.367 3.529 . 0 0 "[ . 1 . 2]" 1
555 1 71 VAL QG 1 73 ASP H . . 4.500 4.522 4.468 4.549 0.049 19 0 "[ . 1 . 2]" 1
556 1 72 LEU H 1 72 LEU MD1 . . 4.740 3.801 2.418 4.321 . 0 0 "[ . 1 . 2]" 1
557 1 72 LEU H 1 72 LEU QD . . 3.950 3.255 2.396 3.818 . 0 0 "[ . 1 . 2]" 1
558 1 72 LEU H 1 72 LEU MD2 . . 4.740 3.654 3.025 4.286 . 0 0 "[ . 1 . 2]" 1
559 1 72 LEU H 1 72 LEU HG . . 4.120 2.936 2.251 4.186 0.066 10 0 "[ . 1 . 2]" 1
560 1 72 LEU H 1 73 ASP H . . 4.690 4.487 4.267 4.563 . 0 0 "[ . 1 . 2]" 1
561 1 72 LEU HA 1 72 LEU MD1 . . 4.300 3.454 2.210 3.888 . 0 0 "[ . 1 . 2]" 1
562 1 72 LEU HA 1 72 LEU QD . . 3.550 2.747 2.073 3.422 . 0 0 "[ . 1 . 2]" 1
563 1 72 LEU HA 1 72 LEU MD2 . . 4.300 3.365 2.082 4.120 . 0 0 "[ . 1 . 2]" 1
564 1 72 LEU HA 1 73 ASP H . . 3.370 2.103 1.954 2.187 . 0 0 "[ . 1 . 2]" 1
565 1 72 LEU QB 1 74 VAL QG . . 4.170 3.354 2.093 4.171 0.001 2 0 "[ . 1 . 2]" 1
566 1 72 LEU QD 1 73 ASP H . . 4.190 3.057 2.093 4.198 0.008 7 0 "[ . 1 . 2]" 1
567 1 72 LEU MD1 1 73 ASP H . . 4.900 3.770 2.097 4.943 0.043 11 0 "[ . 1 . 2]" 1
568 1 72 LEU MD2 1 73 ASP H . . 4.900 4.219 2.338 4.979 0.079 19 0 "[ . 1 . 2]" 1
569 1 73 ASP H 1 74 VAL H . . 4.680 4.364 4.016 4.595 . 0 0 "[ . 1 . 2]" 1
570 1 74 VAL H 1 74 VAL MG1 . . 4.760 3.964 3.857 4.039 . 0 0 "[ . 1 . 2]" 1
571 1 74 VAL H 1 74 VAL QG . . 4.080 2.756 2.389 3.085 . 0 0 "[ . 1 . 2]" 1
572 1 74 VAL H 1 74 VAL MG2 . . 4.760 2.817 2.412 3.212 . 0 0 "[ . 1 . 2]" 1
573 1 74 VAL HA 1 75 LYS H . . 3.560 2.152 2.111 2.196 . 0 0 "[ . 1 . 2]" 1
574 1 75 LYS H 1 75 LYS QG . . 4.930 3.518 2.825 4.274 . 0 0 "[ . 1 . 2]" 1
575 1 75 LYS QB 1 75 LYS QE . . 4.210 3.153 2.081 3.679 . 0 0 "[ . 1 . 2]" 1
576 1 75 LYS QB 1 75 LYS QG . . 2.320 2.110 1.998 2.128 . 0 0 "[ . 1 . 2]" 1
577 1 76 SER HB2 1 77 LYS H . . 5.210 2.904 2.318 4.066 . 0 0 "[ . 1 . 2]" 1
578 1 76 SER HB3 1 77 LYS H . . 5.210 3.834 3.663 3.953 . 0 0 "[ . 1 . 2]" 1
579 1 77 LYS H 1 77 LYS QB . . 3.480 2.274 2.137 2.532 . 0 0 "[ . 1 . 2]" 1
580 1 77 LYS HA 1 77 LYS QD . . 4.020 3.440 2.150 4.073 0.053 16 0 "[ . 1 . 2]" 1
581 1 77 LYS HA 1 78 GLU H . . 3.400 2.774 2.158 3.444 0.044 6 0 "[ . 1 . 2]" 1
582 1 78 GLU QB 1 79 SER QB . . 4.510 4.436 3.603 4.597 0.087 16 0 "[ . 1 . 2]" 1
583 1 80 VAL H 1 80 VAL QG . . 4.240 2.660 2.157 3.114 . 0 0 "[ . 1 . 2]" 1
584 1 82 ASN H 1 82 ASN QD . . 4.710 4.271 2.704 4.752 0.042 11 0 "[ . 1 . 2]" 1
585 1 84 SER H 1 85 ASP QB . . 5.650 5.161 3.492 5.706 0.056 13 0 "[ . 1 . 2]" 1
586 1 88 ASP H 1 88 ASP HB2 . . 4.100 3.462 2.402 4.062 . 0 0 "[ . 1 . 2]" 1
587 1 88 ASP H 1 88 ASP QB . . 3.460 2.893 2.230 3.327 . 0 0 "[ . 1 . 2]" 1
588 1 88 ASP H 1 88 ASP HB3 . . 4.100 3.181 2.446 3.852 . 0 0 "[ . 1 . 2]" 1
589 1 88 ASP H 1 89 VAL H . . 4.170 3.960 2.573 4.260 0.090 1 0 "[ . 1 . 2]" 1
590 1 89 VAL H 1 89 VAL QG . . 4.280 2.651 2.306 3.106 . 0 0 "[ . 1 . 2]" 1
591 1 89 VAL H 1 90 ASP H . . 4.610 4.294 4.078 4.630 0.020 13 0 "[ . 1 . 2]" 1
592 1 89 VAL HB 1 90 ASP H . . 4.940 3.589 2.314 4.213 . 0 0 "[ . 1 . 2]" 1
593 1 90 ASP H 1 91 ILE H . . 3.810 3.512 2.383 3.908 0.098 6 0 "[ . 1 . 2]" 1
594 1 91 ILE H 1 91 ILE HB . . 4.140 3.156 2.380 3.901 . 0 0 "[ . 1 . 2]" 1
595 1 91 ILE H 1 91 ILE HG12 . . 4.970 3.781 2.381 4.988 0.018 4 0 "[ . 1 . 2]" 1
596 1 91 ILE H 1 91 ILE QG . . 4.310 3.347 2.269 4.267 . 0 0 "[ . 1 . 2]" 1
597 1 91 ILE H 1 91 ILE HG13 . . 4.970 3.892 2.556 4.741 . 0 0 "[ . 1 . 2]" 1
598 1 91 ILE H 1 91 ILE MG . . 4.320 2.977 2.059 3.956 . 0 0 "[ . 1 . 2]" 1
599 1 91 ILE HA 1 92 PRO QD . . 3.390 2.099 2.044 2.165 . 0 0 "[ . 1 . 2]" 1
600 1 91 ILE HB 1 91 ILE MD . . 3.720 2.509 2.302 3.302 . 0 0 "[ . 1 . 2]" 1
601 1 91 ILE MG 1 92 PRO QD . . 4.560 3.309 2.239 4.055 . 0 0 "[ . 1 . 2]" 1
602 1 94 ASP H 1 94 ASP HB2 . . 4.130 3.404 2.563 4.040 . 0 0 "[ . 1 . 2]" 1
603 1 94 ASP H 1 94 ASP QB . . 3.490 2.856 2.249 3.316 . 0 0 "[ . 1 . 2]" 1
604 1 94 ASP H 1 94 ASP HB3 . . 4.130 3.222 2.408 3.870 . 0 0 "[ . 1 . 2]" 1
605 1 94 ASP QB 1 96 SER H . . 4.780 4.260 2.821 4.804 0.024 3 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 9:24:45 AM GMT (wattos1)