NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
516095 |
1ov2   |
5598 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ov2
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 989
_Distance_constraint_stats_list.Viol_count 3224
_Distance_constraint_stats_list.Viol_total 10428.865
_Distance_constraint_stats_list.Viol_max 0.514
_Distance_constraint_stats_list.Viol_rms 0.0308
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0829
_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 17 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 18 GLU 2.483 0.353 29 0 "[ . 1 . 2 . 3 . ]"
1 19 GLU 15.848 0.514 17 1 "[ . 1 . + 2 . 3 . ]"
1 20 PHE 15.665 0.514 17 1 "[ . 1 . + 2 . 3 . ]"
1 21 ARG 4.492 0.186 29 0 "[ . 1 . 2 . 3 . ]"
1 22 MET 5.438 0.186 29 0 "[ . 1 . 2 . 3 . ]"
1 23 GLU 4.705 0.148 27 0 "[ . 1 . 2 . 3 . ]"
1 24 LYS 9.305 0.255 8 0 "[ . 1 . 2 . 3 . ]"
1 25 LEU 10.542 0.255 8 0 "[ . 1 . 2 . 3 . ]"
1 26 ASN 5.869 0.148 27 0 "[ . 1 . 2 . 3 . ]"
1 27 GLN 7.130 0.206 27 0 "[ . 1 . 2 . 3 . ]"
1 28 LEU 9.330 0.206 27 0 "[ . 1 . 2 . 3 . ]"
1 29 TRP 14.731 0.125 16 0 "[ . 1 . 2 . 3 . ]"
1 30 GLU 4.486 0.125 16 0 "[ . 1 . 2 . 3 . ]"
1 31 LYS 3.008 0.081 4 0 "[ . 1 . 2 . 3 . ]"
1 32 ALA 1.361 0.092 38 0 "[ . 1 . 2 . 3 . ]"
1 33 GLN 1.971 0.107 24 0 "[ . 1 . 2 . 3 . ]"
1 34 ARG 7.280 0.130 27 0 "[ . 1 . 2 . 3 . ]"
1 35 LEU 3.116 0.065 17 0 "[ . 1 . 2 . 3 . ]"
1 36 HIS 7.069 0.156 26 0 "[ . 1 . 2 . 3 . ]"
1 37 LEU 11.146 0.334 14 0 "[ . 1 . 2 . 3 . ]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 39 PRO 1.469 0.049 14 0 "[ . 1 . 2 . 3 . ]"
1 40 VAL 29.562 0.366 2 0 "[ . 1 . 2 . 3 . ]"
1 41 ARG 19.454 0.366 2 0 "[ . 1 . 2 . 3 . ]"
1 42 LEU 16.714 0.285 24 0 "[ . 1 . 2 . 3 . ]"
1 43 ALA 1.487 0.118 17 0 "[ . 1 . 2 . 3 . ]"
1 44 GLU 4.014 0.094 11 0 "[ . 1 . 2 . 3 . ]"
1 45 LEU 4.370 0.094 11 0 "[ . 1 . 2 . 3 . ]"
1 46 HIS 9.371 0.191 14 0 "[ . 1 . 2 . 3 . ]"
1 47 ALA 4.319 0.076 38 0 "[ . 1 . 2 . 3 . ]"
1 48 ASP 4.177 0.076 38 0 "[ . 1 . 2 . 3 . ]"
1 49 LEU 0.034 0.016 17 0 "[ . 1 . 2 . 3 . ]"
1 50 LYS 2.656 0.102 16 0 "[ . 1 . 2 . 3 . ]"
1 51 ILE 0.223 0.067 24 0 "[ . 1 . 2 . 3 . ]"
1 52 GLN 9.633 0.340 30 0 "[ . 1 . 2 . 3 . ]"
1 53 GLU 3.057 0.103 14 0 "[ . 1 . 2 . 3 . ]"
1 54 ARG 3.815 0.119 24 0 "[ . 1 . 2 . 3 . ]"
1 55 ASP 3.815 0.119 24 0 "[ . 1 . 2 . 3 . ]"
1 56 GLU 2.925 0.078 18 0 "[ . 1 . 2 . 3 . ]"
1 57 LEU 9.979 0.277 27 0 "[ . 1 . 2 . 3 . ]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 59 TRP 13.415 0.223 16 0 "[ . 1 . 2 . 3 . ]"
1 60 LYS 8.341 0.277 27 0 "[ . 1 . 2 . 3 . ]"
1 61 LYS 6.324 0.119 14 0 "[ . 1 . 2 . 3 . ]"
1 62 LEU 3.015 0.195 10 0 "[ . 1 . 2 . 3 . ]"
1 63 LYS 5.953 0.195 10 0 "[ . 1 . 2 . 3 . ]"
1 64 LEU 8.476 0.119 14 0 "[ . 1 . 2 . 3 . ]"
1 65 ASP 2.404 0.079 2 0 "[ . 1 . 2 . 3 . ]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 67 LEU 2.516 0.082 32 0 "[ . 1 . 2 . 3 . ]"
1 68 ASP 14.386 0.223 16 0 "[ . 1 . 2 . 3 . ]"
1 69 GLU 0.253 0.120 7 0 "[ . 1 . 2 . 3 . ]"
1 70 ASP 2.770 0.175 17 0 "[ . 1 . 2 . 3 . ]"
1 71 GLY 0.035 0.010 37 0 "[ . 1 . 2 . 3 . ]"
1 72 GLU 0.023 0.007 37 0 "[ . 1 . 2 . 3 . ]"
1 73 LYS 4.909 0.159 33 0 "[ . 1 . 2 . 3 . ]"
1 74 GLU 3.375 0.120 14 0 "[ . 1 . 2 . 3 . ]"
1 75 ALA 16.096 0.285 38 0 "[ . 1 . 2 . 3 . ]"
1 76 ARG 15.741 0.163 10 0 "[ . 1 . 2 . 3 . ]"
1 77 LEU 18.481 0.340 30 0 "[ . 1 . 2 . 3 . ]"
1 78 ILE 7.159 0.104 18 0 "[ . 1 . 2 . 3 . ]"
1 79 ARG 22.302 0.285 38 0 "[ . 1 . 2 . 3 . ]"
1 80 ASN 5.270 0.245 34 0 "[ . 1 . 2 . 3 . ]"
1 81 LEU 1.621 0.096 30 0 "[ . 1 . 2 . 3 . ]"
1 82 ASN 18.457 0.281 39 0 "[ . 1 . 2 . 3 . ]"
1 83 VAL 3.842 0.093 29 0 "[ . 1 . 2 . 3 . ]"
1 84 ILE 7.549 0.145 31 0 "[ . 1 . 2 . 3 . ]"
1 85 LEU 12.802 0.147 2 0 "[ . 1 . 2 . 3 . ]"
1 86 ALA 1.289 0.096 10 0 "[ . 1 . 2 . 3 . ]"
1 87 LYS 8.749 0.194 4 0 "[ . 1 . 2 . 3 . ]"
1 88 TYR 6.988 0.179 37 0 "[ . 1 . 2 . 3 . ]"
1 89 GLY 5.890 0.194 4 0 "[ . 1 . 2 . 3 . ]"
1 90 LEU 5.483 0.179 37 0 "[ . 1 . 2 . 3 . ]"
1 91 ASP 4.792 0.255 10 0 "[ . 1 . 2 . 3 . ]"
1 92 GLY 1.320 0.255 10 0 "[ . 1 . 2 . 3 . ]"
1 96 ALA 0.362 0.075 2 0 "[ . 1 . 2 . 3 . ]"
1 97 ARG 0.362 0.075 2 0 "[ . 1 . 2 . 3 . ]"
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 17 GLY QA 1 18 GLU H 2.500 . 3.900 2.469 2.137 2.853 . 0 0 "[ . 1 . 2 . 3 . ]" 1
2 1 18 GLU HA 1 19 GLU H 2.500 . 2.900 2.548 2.192 3.096 0.196 31 0 "[ . 1 . 2 . 3 . ]" 1
3 1 18 GLU QG 1 19 GLU H 4.000 . 6.000 3.783 1.984 4.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1
4 1 18 GLU QB 1 19 GLU H 3.000 . 4.500 2.682 1.447 3.925 0.353 29 0 "[ . 1 . 2 . 3 . ]" 1
5 1 18 GLU H 1 19 GLU H 4.000 . 5.000 4.215 2.195 4.677 . 0 0 "[ . 1 . 2 . 3 . ]" 1
6 1 18 GLU QB 1 20 PHE H 4.000 . 6.000 3.379 2.745 4.803 . 0 0 "[ . 1 . 2 . 3 . ]" 1
7 1 18 GLU HA 1 20 PHE H 4.000 . 5.000 4.613 3.629 5.227 0.227 17 0 "[ . 1 . 2 . 3 . ]" 1
8 1 18 GLU QB 1 26 ASN QD 3.000 . 5.300 3.180 2.007 4.371 . 0 0 "[ . 1 . 2 . 3 . ]" 1
9 1 18 GLU QG 1 26 ASN QD 3.000 . 5.300 3.414 1.660 4.240 0.140 12 0 "[ . 1 . 2 . 3 . ]" 1
10 1 19 GLU HB3 1 20 PHE QD 4.000 . 7.400 4.699 3.421 5.004 . 0 0 "[ . 1 . 2 . 3 . ]" 1
11 1 19 GLU HB3 1 20 PHE H 4.000 . 6.000 3.802 3.499 4.082 . 0 0 "[ . 1 . 2 . 3 . ]" 1
12 1 19 GLU HA 1 20 PHE H 3.000 . 3.500 3.562 3.518 3.582 0.082 20 0 "[ . 1 . 2 . 3 . ]" 1
13 1 19 GLU HB2 1 20 PHE H 3.000 . 3.500 3.198 2.629 3.571 0.071 33 0 "[ . 1 . 2 . 3 . ]" 1
14 1 19 GLU QG 1 20 PHE H 4.000 . 6.000 1.541 1.286 1.801 0.514 17 1 "[ . 1 . + 2 . 3 . ]" 1
15 1 19 GLU H 1 26 ASN QD 4.000 . 6.000 4.923 4.174 5.425 . 0 0 "[ . 1 . 2 . 3 . ]" 1
16 1 19 GLU QG 1 29 TRP HD1 4.000 . 6.000 2.167 1.921 2.526 . 0 0 "[ . 1 . 2 . 3 . ]" 1
17 1 19 GLU HB3 1 29 TRP HD1 3.000 . 3.300 3.342 3.177 3.411 0.111 22 0 "[ . 1 . 2 . 3 . ]" 1
18 1 19 GLU HB2 1 29 TRP HD1 4.000 . 5.000 4.119 3.211 4.454 . 0 0 "[ . 1 . 2 . 3 . ]" 1
19 1 19 GLU H 1 29 TRP HD1 5.000 . 6.000 4.435 3.925 5.128 . 0 0 "[ . 1 . 2 . 3 . ]" 1
20 1 19 GLU HB3 1 29 TRP HE1 4.000 . 5.000 3.061 2.731 3.414 . 0 0 "[ . 1 . 2 . 3 . ]" 1
21 1 19 GLU QG 1 29 TRP HE1 3.000 . 4.300 3.544 3.175 3.710 . 0 0 "[ . 1 . 2 . 3 . ]" 1
22 1 20 PHE HB3 1 20 PHE QD 2.500 . 5.100 2.553 2.341 2.684 . 0 0 "[ . 1 . 2 . 3 . ]" 1
23 1 20 PHE HA 1 20 PHE QD 2.500 . 5.100 2.558 2.181 2.990 . 0 0 "[ . 1 . 2 . 3 . ]" 1
24 1 20 PHE HB2 1 20 PHE QD 2.500 . 5.100 2.325 2.276 2.746 . 0 0 "[ . 1 . 2 . 3 . ]" 1
25 1 20 PHE HA 1 21 ARG HA 5.000 . 6.000 4.514 4.348 4.547 . 0 0 "[ . 1 . 2 . 3 . ]" 1
26 1 20 PHE HA 1 21 ARG QG 4.000 . 6.000 3.403 3.135 4.210 . 0 0 "[ . 1 . 2 . 3 . ]" 1
27 1 20 PHE HA 1 21 ARG H 2.500 . 2.900 2.798 2.256 2.911 0.011 18 0 "[ . 1 . 2 . 3 . ]" 1
28 1 20 PHE HB2 1 21 ARG H 3.000 . 3.500 2.952 2.719 3.638 0.138 16 0 "[ . 1 . 2 . 3 . ]" 1
29 1 20 PHE H 1 21 ARG H 4.000 . 5.000 4.439 4.355 4.548 . 0 0 "[ . 1 . 2 . 3 . ]" 1
30 1 20 PHE QD 1 21 ARG H 2.500 . 5.300 4.127 3.913 4.261 . 0 0 "[ . 1 . 2 . 3 . ]" 1
31 1 20 PHE HB2 1 22 MET H 3.000 . 3.500 2.624 2.513 3.331 . 0 0 "[ . 1 . 2 . 3 . ]" 1
32 1 20 PHE H 1 22 MET H 4.000 . 5.000 4.696 4.578 5.117 0.117 16 0 "[ . 1 . 2 . 3 . ]" 1
33 1 20 PHE HB3 1 22 MET H 3.000 . 3.500 2.793 2.300 3.021 . 0 0 "[ . 1 . 2 . 3 . ]" 1
34 1 20 PHE HA 1 22 MET H 4.000 . 5.000 4.205 3.755 4.297 . 0 0 "[ . 1 . 2 . 3 . ]" 1
35 1 20 PHE QD 1 25 LEU QD 3.000 . 7.700 2.777 1.734 3.050 0.066 17 0 "[ . 1 . 2 . 3 . ]" 1
36 1 20 PHE HB2 1 25 LEU HB2 5.000 . 6.000 2.803 2.578 3.099 . 0 0 "[ . 1 . 2 . 3 . ]" 1
37 1 20 PHE HB3 1 25 LEU HB3 5.000 . 6.000 3.544 2.743 3.779 . 0 0 "[ . 1 . 2 . 3 . ]" 1
38 1 20 PHE QD 1 25 LEU HB2 5.000 . 8.400 3.226 2.865 3.597 . 0 0 "[ . 1 . 2 . 3 . ]" 1
39 1 20 PHE HB3 1 25 LEU HB2 5.000 . 6.000 3.407 2.506 3.633 . 0 0 "[ . 1 . 2 . 3 . ]" 1
40 1 20 PHE HB2 1 25 LEU HB3 5.000 . 6.000 2.838 2.539 3.064 . 0 0 "[ . 1 . 2 . 3 . ]" 1
41 1 20 PHE QD 1 26 ASN HA 4.000 . 7.400 3.100 2.565 4.660 . 0 0 "[ . 1 . 2 . 3 . ]" 1
42 1 20 PHE HB3 1 26 ASN HA 5.000 . 6.000 5.919 4.885 6.058 0.058 29 0 "[ . 1 . 2 . 3 . ]" 1
43 1 20 PHE QE 1 26 ASN HA 5.000 . 8.400 4.389 3.886 5.667 . 0 0 "[ . 1 . 2 . 3 . ]" 1
44 1 20 PHE HB2 1 26 ASN H 4.000 . 5.000 3.448 2.773 3.858 . 0 0 "[ . 1 . 2 . 3 . ]" 1
45 1 20 PHE HB3 1 26 ASN H 4.000 . 5.000 4.880 3.754 5.071 0.071 17 0 "[ . 1 . 2 . 3 . ]" 1
46 1 20 PHE H 1 26 ASN QB 5.000 . 7.000 4.606 4.127 4.888 . 0 0 "[ . 1 . 2 . 3 . ]" 1
47 1 20 PHE H 1 26 ASN QD 3.000 . 4.500 3.938 3.681 4.023 . 0 0 "[ . 1 . 2 . 3 . ]" 1
48 1 20 PHE QE 1 29 TRP HD1 4.000 . 7.400 4.418 3.167 4.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1
49 1 20 PHE QE 1 29 TRP HB2 5.000 . 8.400 2.475 2.145 4.352 . 0 0 "[ . 1 . 2 . 3 . ]" 1
50 1 20 PHE QD 1 29 TRP HB3 5.000 . 8.400 4.186 3.727 5.197 . 0 0 "[ . 1 . 2 . 3 . ]" 1
51 1 20 PHE QD 1 29 TRP HB2 5.000 . 8.400 3.429 2.804 4.326 . 0 0 "[ . 1 . 2 . 3 . ]" 1
52 1 20 PHE QE 1 29 TRP HB3 5.000 . 8.400 3.927 3.186 5.471 . 0 0 "[ . 1 . 2 . 3 . ]" 1
53 1 20 PHE QE 1 46 HIS HD2 3.000 . 5.700 3.686 2.867 3.913 . 0 0 "[ . 1 . 2 . 3 . ]" 1
54 1 20 PHE HZ 1 46 HIS HD2 3.000 . 3.300 3.328 3.163 3.395 0.095 17 0 "[ . 1 . 2 . 3 . ]" 1
55 1 20 PHE HZ 1 46 HIS HA 4.000 . 5.000 3.854 3.505 4.473 . 0 0 "[ . 1 . 2 . 3 . ]" 1
56 1 20 PHE QE 1 46 HIS HA 4.000 . 7.400 4.642 4.290 5.114 . 0 0 "[ . 1 . 2 . 3 . ]" 1
57 1 20 PHE QE 1 49 LEU MD1 5.000 . 9.400 3.387 2.560 4.795 . 0 0 "[ . 1 . 2 . 3 . ]" 1
58 1 20 PHE QE 1 49 LEU QD 4.000 . 9.400 3.208 2.535 3.857 . 0 0 "[ . 1 . 2 . 3 . ]" 1
59 1 20 PHE HZ 1 50 LYS HA 5.000 . 6.000 3.593 3.001 4.216 . 0 0 "[ . 1 . 2 . 3 . ]" 1
60 1 20 PHE QE 1 50 LYS HA 4.000 . 7.400 2.360 2.097 3.179 . 0 0 "[ . 1 . 2 . 3 . ]" 1
61 1 20 PHE QE 1 50 LYS QD 4.000 . 8.400 2.719 1.993 4.144 . 0 0 "[ . 1 . 2 . 3 . ]" 1
62 1 20 PHE QE 1 50 LYS QG 4.000 . 8.400 2.173 1.884 3.329 . 0 0 "[ . 1 . 2 . 3 . ]" 1
63 1 20 PHE QE 1 50 LYS H 5.000 . 8.400 4.080 3.507 4.835 . 0 0 "[ . 1 . 2 . 3 . ]" 1
64 1 20 PHE HZ 1 50 LYS H 5.000 . 6.000 3.782 3.062 4.332 . 0 0 "[ . 1 . 2 . 3 . ]" 1
65 1 20 PHE QD 1 53 GLU QB 3.000 . 6.700 2.896 2.000 3.633 . 0 0 "[ . 1 . 2 . 3 . ]" 1
66 1 20 PHE QD 1 57 LEU HA 5.000 . 8.400 7.511 7.076 7.677 . 0 0 "[ . 1 . 2 . 3 . ]" 1
67 1 21 ARG HA 1 22 MET HA 5.000 . 6.000 4.607 4.553 4.627 . 0 0 "[ . 1 . 2 . 3 . ]" 1
68 1 21 ARG H 1 22 MET H 2.500 . 2.900 1.971 1.805 2.319 . 0 0 "[ . 1 . 2 . 3 . ]" 1
69 1 21 ARG H 1 22 MET HA 5.000 . 6.000 4.508 4.432 4.981 . 0 0 "[ . 1 . 2 . 3 . ]" 1
70 1 21 ARG HB3 1 22 MET H 4.000 . 5.000 4.356 4.132 4.425 . 0 0 "[ . 1 . 2 . 3 . ]" 1
71 1 21 ARG HB3 1 22 MET HA 5.000 . 6.000 4.844 4.525 4.979 . 0 0 "[ . 1 . 2 . 3 . ]" 1
72 1 21 ARG HA 1 22 MET H 3.000 . 3.500 3.172 3.102 3.366 . 0 0 "[ . 1 . 2 . 3 . ]" 1
73 1 21 ARG HB2 1 22 MET H 3.000 . 3.500 3.610 3.448 3.686 0.186 29 0 "[ . 1 . 2 . 3 . ]" 1
74 1 21 ARG HB2 1 22 MET HA 5.000 . 6.000 4.540 4.410 4.767 . 0 0 "[ . 1 . 2 . 3 . ]" 1
75 1 21 ARG QG 1 22 MET H 4.000 . 6.000 4.245 4.033 4.666 . 0 0 "[ . 1 . 2 . 3 . ]" 1
76 1 21 ARG H 1 25 LEU QD 3.000 . 5.500 3.819 3.544 4.058 . 0 0 "[ . 1 . 2 . 3 . ]" 1
77 1 21 ARG H 1 53 GLU QG 3.000 . 4.500 3.648 3.120 4.179 . 0 0 "[ . 1 . 2 . 3 . ]" 1
78 1 21 ARG HA 1 57 LEU QD 5.000 . 8.000 4.335 3.897 4.801 . 0 0 "[ . 1 . 2 . 3 . ]" 1
79 1 21 ARG QG 1 57 LEU QD 4.000 . 8.000 2.943 1.830 3.688 . 0 0 "[ . 1 . 2 . 3 . ]" 1
80 1 21 ARG QD 1 57 LEU QD 2.500 . 5.700 2.919 1.962 3.820 . 0 0 "[ . 1 . 2 . 3 . ]" 1
81 1 22 MET HB3 1 23 GLU HA 4.000 . 5.000 5.012 4.852 5.108 0.108 33 0 "[ . 1 . 2 . 3 . ]" 1
82 1 22 MET HA 1 23 GLU HA 5.000 . 6.000 4.398 4.366 4.449 . 0 0 "[ . 1 . 2 . 3 . ]" 1
83 1 22 MET QG 1 23 GLU HA 5.000 . 7.000 6.183 6.017 6.278 . 0 0 "[ . 1 . 2 . 3 . ]" 1
84 1 22 MET H 1 23 GLU H 4.000 . 5.000 4.487 4.364 4.555 . 0 0 "[ . 1 . 2 . 3 . ]" 1
85 1 22 MET HA 1 23 GLU H 4.000 . 5.500 2.223 2.181 2.267 . 0 0 "[ . 1 . 2 . 3 . ]" 1
86 1 22 MET HB3 1 24 LYS HA 5.000 . 6.000 5.405 5.172 5.632 . 0 0 "[ . 1 . 2 . 3 . ]" 1
87 1 22 MET QG 1 25 LEU QD 2.500 . 5.700 2.524 1.913 2.764 . 0 0 "[ . 1 . 2 . 3 . ]" 1
88 1 22 MET HB2 1 25 LEU QD 4.000 . 7.000 1.944 1.842 2.153 . 0 0 "[ . 1 . 2 . 3 . ]" 1
89 1 22 MET HB3 1 25 LEU H 3.000 . 3.500 2.883 2.448 3.172 . 0 0 "[ . 1 . 2 . 3 . ]" 1
90 1 22 MET H 1 25 LEU QD 4.000 . 7.000 3.331 2.852 3.499 . 0 0 "[ . 1 . 2 . 3 . ]" 1
91 1 22 MET QG 1 53 GLU QB 4.000 . 7.000 5.418 5.144 5.603 . 0 0 "[ . 1 . 2 . 3 . ]" 1
92 1 23 GLU QB 1 24 LYS HA 3.000 . 4.300 3.890 3.856 3.921 . 0 0 "[ . 1 . 2 . 3 . ]" 1
93 1 23 GLU HA 1 26 ASN QB 4.000 . 6.000 2.751 2.628 3.005 . 0 0 "[ . 1 . 2 . 3 . ]" 1
94 1 23 GLU HA 1 26 ASN HA 5.000 . 6.000 5.365 5.301 5.582 . 0 0 "[ . 1 . 2 . 3 . ]" 1
95 1 23 GLU HA 1 26 ASN H 3.000 . 3.500 3.592 3.494 3.648 0.148 27 0 "[ . 1 . 2 . 3 . ]" 1
96 1 23 GLU HA 1 26 ASN QD 2.500 . 3.700 3.309 2.826 3.439 . 0 0 "[ . 1 . 2 . 3 . ]" 1
97 1 23 GLU HA 1 27 GLN HA 5.000 . 6.000 5.722 5.489 6.054 0.054 17 0 "[ . 1 . 2 . 3 . ]" 1
98 1 24 LYS QB 1 25 LEU QD 4.000 . 8.000 4.139 3.922 4.619 . 0 0 "[ . 1 . 2 . 3 . ]" 1
99 1 24 LYS QB 1 25 LEU HA 4.000 . 6.000 4.244 4.026 4.551 . 0 0 "[ . 1 . 2 . 3 . ]" 1
100 1 24 LYS HA 1 25 LEU H 3.000 . 3.500 3.592 3.575 3.640 0.140 8 0 "[ . 1 . 2 . 3 . ]" 1
101 1 24 LYS QG 1 25 LEU H 3.000 . 4.500 1.653 1.545 1.768 0.255 8 0 "[ . 1 . 2 . 3 . ]" 1
102 1 24 LYS QG 1 26 ASN H 3.000 . 4.500 4.092 3.879 4.132 . 0 0 "[ . 1 . 2 . 3 . ]" 1
103 1 24 LYS HA 1 27 GLN QG 4.000 . 6.000 3.698 2.738 4.150 . 0 0 "[ . 1 . 2 . 3 . ]" 1
104 1 24 LYS HA 1 27 GLN HB3 4.000 . 5.000 4.184 3.887 4.465 . 0 0 "[ . 1 . 2 . 3 . ]" 1
105 1 24 LYS HA 1 27 GLN HB2 4.000 . 5.000 2.717 2.441 2.905 . 0 0 "[ . 1 . 2 . 3 . ]" 1
106 1 24 LYS HA 1 31 LYS QE 5.000 . 7.000 6.214 5.749 6.369 . 0 0 "[ . 1 . 2 . 3 . ]" 1
107 1 24 LYS QD 1 81 LEU QD 4.000 . 8.000 2.904 1.823 4.322 . 0 0 "[ . 1 . 2 . 3 . ]" 1
108 1 24 LYS QE 1 81 LEU QD 4.000 . 8.000 3.522 1.816 5.182 . 0 0 "[ . 1 . 2 . 3 . ]" 1
109 1 25 LEU HA 1 25 LEU QD 3.000 . 5.300 2.731 2.490 2.888 . 0 0 "[ . 1 . 2 . 3 . ]" 1
110 1 25 LEU H 1 25 LEU QD 2.500 . 4.900 2.652 2.322 3.130 . 0 0 "[ . 1 . 2 . 3 . ]" 1
111 1 25 LEU HA 1 26 ASN H 4.000 . 5.000 3.552 3.534 3.569 . 0 0 "[ . 1 . 2 . 3 . ]" 1
112 1 25 LEU QD 1 26 ASN H 4.000 . 7.000 3.814 3.725 4.186 . 0 0 "[ . 1 . 2 . 3 . ]" 1
113 1 25 LEU H 1 26 ASN H 2.500 . 2.900 2.833 2.740 2.879 . 0 0 "[ . 1 . 2 . 3 . ]" 1
114 1 25 LEU H 1 26 ASN QB 4.000 . 6.000 5.014 4.932 5.116 . 0 0 "[ . 1 . 2 . 3 . ]" 1
115 1 25 LEU H 1 27 GLN H 4.000 . 5.000 4.432 4.307 4.618 . 0 0 "[ . 1 . 2 . 3 . ]" 1
116 1 25 LEU HA 1 28 LEU HB3 4.000 . 5.000 4.249 3.977 4.796 . 0 0 "[ . 1 . 2 . 3 . ]" 1
117 1 25 LEU HB2 1 28 LEU HB2 5.000 . 6.000 5.525 5.307 6.015 0.015 17 0 "[ . 1 . 2 . 3 . ]" 1
118 1 25 LEU HA 1 28 LEU HB2 4.000 . 5.000 2.658 2.438 3.081 . 0 0 "[ . 1 . 2 . 3 . ]" 1
119 1 25 LEU HA 1 28 LEU H 3.000 . 3.500 3.523 3.378 3.582 0.082 11 0 "[ . 1 . 2 . 3 . ]" 1
120 1 25 LEU MD2 1 29 TRP HB3 5.000 . 7.000 5.710 5.613 5.751 . 0 0 "[ . 1 . 2 . 3 . ]" 1
121 1 25 LEU MD2 1 29 TRP HB2 5.000 . 7.000 4.436 4.228 4.531 . 0 0 "[ . 1 . 2 . 3 . ]" 1
122 1 25 LEU HA 1 49 LEU QD 4.000 . 7.000 3.385 2.948 4.123 . 0 0 "[ . 1 . 2 . 3 . ]" 1
123 1 25 LEU QD 1 49 LEU HA 4.000 . 7.000 3.229 2.702 3.779 . 0 0 "[ . 1 . 2 . 3 . ]" 1
124 1 25 LEU QD 1 52 GLN QG 4.000 . 8.000 3.600 2.715 4.059 . 0 0 "[ . 1 . 2 . 3 . ]" 1
125 1 25 LEU QD 1 53 GLU QB 4.000 . 8.000 2.029 1.849 2.534 . 0 0 "[ . 1 . 2 . 3 . ]" 1
126 1 25 LEU QD 1 53 GLU HA 3.000 . 5.300 2.136 1.934 2.545 . 0 0 "[ . 1 . 2 . 3 . ]" 1
127 1 25 LEU QD 1 53 GLU H 2.500 . 4.900 3.199 2.967 3.576 . 0 0 "[ . 1 . 2 . 3 . ]" 1
128 1 26 ASN H 1 26 ASN QD 4.000 . 6.000 3.724 3.492 3.887 . 0 0 "[ . 1 . 2 . 3 . ]" 1
129 1 26 ASN QB 1 26 ASN QD 2.500 . 4.700 2.303 2.264 2.318 . 0 0 "[ . 1 . 2 . 3 . ]" 1
130 1 26 ASN QB 1 27 GLN HB2 4.000 . 6.000 4.343 4.206 4.618 . 0 0 "[ . 1 . 2 . 3 . ]" 1
131 1 26 ASN HA 1 27 GLN H 4.000 . 5.000 3.525 3.479 3.551 . 0 0 "[ . 1 . 2 . 3 . ]" 1
132 1 26 ASN QB 1 27 GLN H 2.500 . 3.900 2.101 2.044 2.344 . 0 0 "[ . 1 . 2 . 3 . ]" 1
133 1 26 ASN H 1 27 GLN H 2.500 . 2.900 2.910 2.396 3.037 0.137 16 0 "[ . 1 . 2 . 3 . ]" 1
134 1 26 ASN QD 1 27 GLN H 4.000 . 6.000 4.570 4.239 4.793 . 0 0 "[ . 1 . 2 . 3 . ]" 1
135 1 26 ASN HA 1 29 TRP HD1 4.000 . 5.000 3.773 3.465 3.972 . 0 0 "[ . 1 . 2 . 3 . ]" 1
136 1 26 ASN HA 1 29 TRP HB2 4.000 . 5.000 3.204 2.515 3.560 . 0 0 "[ . 1 . 2 . 3 . ]" 1
137 1 26 ASN HA 1 29 TRP HB3 3.000 . 3.300 2.558 2.146 2.716 . 0 0 "[ . 1 . 2 . 3 . ]" 1
138 1 26 ASN QB 1 30 GLU HA 5.000 . 7.000 6.258 6.141 6.303 . 0 0 "[ . 1 . 2 . 3 . ]" 1
139 1 26 ASN HA 1 30 GLU QG 5.000 . 7.000 4.280 3.983 4.709 . 0 0 "[ . 1 . 2 . 3 . ]" 1
140 1 27 GLN QG 1 28 LEU H 4.000 . 6.000 4.152 3.982 4.367 . 0 0 "[ . 1 . 2 . 3 . ]" 1
141 1 27 GLN HB2 1 28 LEU H 3.000 . 3.500 2.483 2.348 2.718 . 0 0 "[ . 1 . 2 . 3 . ]" 1
142 1 27 GLN H 1 28 LEU H 2.500 . 2.900 3.041 2.990 3.106 0.206 27 0 "[ . 1 . 2 . 3 . ]" 1
143 1 27 GLN H 1 29 TRP H 4.000 . 5.000 4.284 3.876 4.466 . 0 0 "[ . 1 . 2 . 3 . ]" 1
144 1 27 GLN HA 1 30 GLU QB 2.500 . 3.700 2.986 2.913 3.100 . 0 0 "[ . 1 . 2 . 3 . ]" 1
145 1 27 GLN HA 1 30 GLU QG 4.000 . 6.000 4.353 3.896 4.825 . 0 0 "[ . 1 . 2 . 3 . ]" 1
146 1 27 GLN HA 1 31 LYS H 4.000 . 5.000 4.125 3.968 4.328 . 0 0 "[ . 1 . 2 . 3 . ]" 1
147 1 28 LEU HB2 1 28 LEU QD 2.500 . 4.700 2.172 2.038 2.380 . 0 0 "[ . 1 . 2 . 3 . ]" 1
148 1 28 LEU HB3 1 28 LEU QD 2.500 . 4.700 2.064 2.015 2.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1
149 1 28 LEU HA 1 28 LEU QD 2.500 . 4.700 2.216 1.974 2.819 . 0 0 "[ . 1 . 2 . 3 . ]" 1
150 1 28 LEU H 1 28 LEU QD 2.500 . 4.900 2.939 1.818 3.259 . 0 0 "[ . 1 . 2 . 3 . ]" 1
151 1 28 LEU H 1 29 TRP H 3.000 . 3.500 2.763 2.403 2.904 . 0 0 "[ . 1 . 2 . 3 . ]" 1
152 1 28 LEU H 1 29 TRP HB2 4.000 . 5.000 5.011 4.710 5.109 0.109 21 0 "[ . 1 . 2 . 3 . ]" 1
153 1 28 LEU QB 1 29 TRP H 4.000 . 6.000 2.615 2.448 2.952 . 0 0 "[ . 1 . 2 . 3 . ]" 1
154 1 28 LEU HA 1 31 LYS QB 3.000 . 4.300 2.252 1.933 2.475 . 0 0 "[ . 1 . 2 . 3 . ]" 1
155 1 28 LEU HA 1 31 LYS QD 4.000 . 6.000 3.426 1.906 4.000 . 0 0 "[ . 1 . 2 . 3 . ]" 1
156 1 28 LEU QD 1 31 LYS QD 3.000 . 6.300 3.229 2.142 3.694 . 0 0 "[ . 1 . 2 . 3 . ]" 1
157 1 28 LEU HA 1 31 LYS H 3.000 . 3.500 3.463 3.111 3.574 0.074 4 0 "[ . 1 . 2 . 3 . ]" 1
158 1 28 LEU HB2 1 49 LEU MD1 4.000 . 6.000 3.518 3.113 4.303 . 0 0 "[ . 1 . 2 . 3 . ]" 1
159 1 28 LEU HB3 1 49 LEU QD 4.000 . 7.000 2.848 2.433 3.459 . 0 0 "[ . 1 . 2 . 3 . ]" 1
160 1 28 LEU HB2 1 49 LEU QD 4.000 . 7.000 3.077 2.796 3.521 . 0 0 "[ . 1 . 2 . 3 . ]" 1
161 1 28 LEU QD 1 49 LEU QD 2.500 . 6.700 2.747 2.177 3.403 . 0 0 "[ . 1 . 2 . 3 . ]" 1
162 1 28 LEU H 1 49 LEU QD 4.000 . 7.000 4.732 4.401 5.080 . 0 0 "[ . 1 . 2 . 3 . ]" 1
163 1 28 LEU QD 1 81 LEU HG 4.000 . 7.000 4.312 3.325 5.111 . 0 0 "[ . 1 . 2 . 3 . ]" 1
164 1 28 LEU HB3 1 85 LEU QD 4.000 . 7.000 3.498 2.926 3.803 . 0 0 "[ . 1 . 2 . 3 . ]" 1
165 1 28 LEU QD 1 85 LEU HA 4.000 . 7.000 4.704 4.100 5.076 . 0 0 "[ . 1 . 2 . 3 . ]" 1
166 1 28 LEU QD 1 85 LEU QD 2.500 . 6.700 2.028 1.757 2.258 0.043 5 0 "[ . 1 . 2 . 3 . ]" 1
167 1 28 LEU HA 1 85 LEU MD1 4.000 . 6.000 4.777 4.308 4.900 . 0 0 "[ . 1 . 2 . 3 . ]" 1
168 1 29 TRP HB3 1 29 TRP HD1 2.500 . 2.700 2.507 2.484 2.608 . 0 0 "[ . 1 . 2 . 3 . ]" 1
169 1 29 TRP HB2 1 29 TRP HD1 3.000 . 3.300 3.385 3.287 3.419 0.119 13 0 "[ . 1 . 2 . 3 . ]" 1
170 1 29 TRP HB2 1 29 TRP HE3 4.000 . 5.000 3.305 3.250 3.520 . 0 0 "[ . 1 . 2 . 3 . ]" 1
171 1 29 TRP HA 1 29 TRP HE3 2.500 . 2.700 1.922 1.740 2.014 0.060 16 0 "[ . 1 . 2 . 3 . ]" 1
172 1 29 TRP HB3 1 29 TRP HE1 4.000 . 5.000 4.704 4.690 4.752 . 0 0 "[ . 1 . 2 . 3 . ]" 1
173 1 29 TRP HB2 1 29 TRP HE1 4.000 . 5.000 5.042 5.018 5.059 0.059 13 0 "[ . 1 . 2 . 3 . ]" 1
174 1 29 TRP HD1 1 30 GLU HA 5.000 . 6.000 4.485 4.321 5.049 . 0 0 "[ . 1 . 2 . 3 . ]" 1
175 1 29 TRP H 1 30 GLU H 3.000 . 3.500 2.914 2.801 2.970 . 0 0 "[ . 1 . 2 . 3 . ]" 1
176 1 29 TRP HB2 1 30 GLU H 3.000 . 3.500 3.522 3.450 3.625 0.125 16 0 "[ . 1 . 2 . 3 . ]" 1
177 1 29 TRP HB3 1 30 GLU H 3.000 . 3.500 2.026 1.950 2.152 . 0 0 "[ . 1 . 2 . 3 . ]" 1
178 1 29 TRP HA 1 30 GLU H 3.000 . 3.500 3.562 3.533 3.610 0.110 16 0 "[ . 1 . 2 . 3 . ]" 1
179 1 29 TRP HA 1 31 LYS H 4.000 . 5.000 4.357 4.206 4.426 . 0 0 "[ . 1 . 2 . 3 . ]" 1
180 1 29 TRP HE3 1 32 ALA MB 4.000 . 6.000 2.897 2.731 3.129 . 0 0 "[ . 1 . 2 . 3 . ]" 1
181 1 29 TRP HB2 1 32 ALA MB 5.000 . 7.000 4.967 4.821 5.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1
182 1 29 TRP HA 1 32 ALA MB 3.000 . 4.300 2.765 2.598 3.237 . 0 0 "[ . 1 . 2 . 3 . ]" 1
183 1 29 TRP HA 1 32 ALA H 4.000 . 5.000 3.391 3.282 3.611 . 0 0 "[ . 1 . 2 . 3 . ]" 1
184 1 29 TRP HH2 1 33 GLN QG 3.000 . 4.300 3.965 3.921 4.011 . 0 0 "[ . 1 . 2 . 3 . ]" 1
185 1 29 TRP HZ2 1 33 GLN QG 4.000 . 6.000 3.732 3.601 4.138 . 0 0 "[ . 1 . 2 . 3 . ]" 1
186 1 29 TRP HE1 1 33 GLN QE 4.000 . 6.000 3.170 2.284 4.060 . 0 0 "[ . 1 . 2 . 3 . ]" 1
187 1 29 TRP HZ2 1 33 GLN QE 4.000 . 6.000 4.472 3.434 5.029 . 0 0 "[ . 1 . 2 . 3 . ]" 1
188 1 29 TRP HH2 1 42 LEU QD 3.000 . 5.300 1.977 1.893 2.527 . 0 0 "[ . 1 . 2 . 3 . ]" 1
189 1 29 TRP HZ3 1 42 LEU QD 4.000 . 7.000 2.710 2.071 3.159 . 0 0 "[ . 1 . 2 . 3 . ]" 1
190 1 29 TRP HH2 1 42 LEU MD2 5.000 . 7.000 1.992 1.907 2.547 . 0 0 "[ . 1 . 2 . 3 . ]" 1
191 1 29 TRP HH2 1 42 LEU QB 4.000 . 6.000 3.653 3.377 4.527 . 0 0 "[ . 1 . 2 . 3 . ]" 1
192 1 29 TRP HH2 1 43 ALA HA 4.000 . 5.000 4.968 4.695 5.077 0.077 10 0 "[ . 1 . 2 . 3 . ]" 1
193 1 29 TRP HE3 1 45 LEU QD 3.000 . 5.300 3.018 2.304 3.552 . 0 0 "[ . 1 . 2 . 3 . ]" 1
194 1 29 TRP HA 1 45 LEU QD 4.000 . 7.000 3.683 3.095 4.203 . 0 0 "[ . 1 . 2 . 3 . ]" 1
195 1 29 TRP HH2 1 46 HIS HD2 3.000 . 3.300 3.180 3.012 3.311 0.011 37 0 "[ . 1 . 2 . 3 . ]" 1
196 1 29 TRP HZ3 1 46 HIS HD2 3.000 . 3.300 3.157 3.003 3.289 . 0 0 "[ . 1 . 2 . 3 . ]" 1
197 1 29 TRP HE3 1 46 HIS HD2 3.000 . 3.300 3.292 3.166 3.372 0.072 16 0 "[ . 1 . 2 . 3 . ]" 1
198 1 29 TRP HZ2 1 46 HIS HD2 3.000 . 3.300 3.334 3.272 3.402 0.102 17 0 "[ . 1 . 2 . 3 . ]" 1
199 1 29 TRP HE3 1 49 LEU QD 3.000 . 5.300 2.414 2.091 2.700 . 0 0 "[ . 1 . 2 . 3 . ]" 1
200 1 29 TRP HB2 1 49 LEU MD1 5.000 . 7.000 3.349 2.759 5.732 . 0 0 "[ . 1 . 2 . 3 . ]" 1
201 1 29 TRP HB3 1 49 LEU QD 4.000 . 7.000 4.500 4.039 4.921 . 0 0 "[ . 1 . 2 . 3 . ]" 1
202 1 29 TRP HB2 1 49 LEU QD 4.000 . 7.000 3.237 2.729 3.758 . 0 0 "[ . 1 . 2 . 3 . ]" 1
203 1 29 TRP HA 1 49 LEU QD 4.000 . 7.000 2.887 2.566 3.173 . 0 0 "[ . 1 . 2 . 3 . ]" 1
204 1 29 TRP H 1 49 LEU QD 4.000 . 7.000 3.570 3.169 4.151 . 0 0 "[ . 1 . 2 . 3 . ]" 1
205 1 30 GLU H 1 31 LYS H 2.500 . 2.900 2.871 2.633 2.957 0.057 24 0 "[ . 1 . 2 . 3 . ]" 1
206 1 30 GLU QB 1 31 LYS H 4.000 . 6.000 2.542 2.452 2.722 . 0 0 "[ . 1 . 2 . 3 . ]" 1
207 1 30 GLU HA 1 33 GLN HB3 4.000 . 5.000 4.521 4.091 4.668 . 0 0 "[ . 1 . 2 . 3 . ]" 1
208 1 30 GLU HA 1 33 GLN HB2 4.000 . 5.000 2.881 2.446 3.024 . 0 0 "[ . 1 . 2 . 3 . ]" 1
209 1 30 GLU HA 1 33 GLN QG 4.000 . 6.000 3.909 3.454 4.104 . 0 0 "[ . 1 . 2 . 3 . ]" 1
210 1 30 GLU HA 1 33 GLN H 4.000 . 5.000 3.792 3.408 3.935 . 0 0 "[ . 1 . 2 . 3 . ]" 1
211 1 30 GLU HA 1 33 GLN QE 3.000 . 4.300 2.417 1.693 3.886 0.107 24 0 "[ . 1 . 2 . 3 . ]" 1
212 1 31 LYS QB 1 32 ALA MB 5.000 . 8.000 3.823 3.742 3.880 . 0 0 "[ . 1 . 2 . 3 . ]" 1
213 1 31 LYS H 1 32 ALA H 2.500 . 2.900 2.920 2.836 2.973 0.073 4 0 "[ . 1 . 2 . 3 . ]" 1
214 1 31 LYS QB 1 32 ALA H 2.500 . 3.900 2.455 2.293 2.565 . 0 0 "[ . 1 . 2 . 3 . ]" 1
215 1 31 LYS HA 1 32 ALA H 4.000 . 5.000 3.604 3.595 3.610 . 0 0 "[ . 1 . 2 . 3 . ]" 1
216 1 31 LYS HA 1 34 ARG H 3.000 . 3.500 3.507 3.411 3.581 0.081 4 0 "[ . 1 . 2 . 3 . ]" 1
217 1 31 LYS QG 1 35 LEU QD 4.000 . 8.000 3.320 2.131 4.937 . 0 0 "[ . 1 . 2 . 3 . ]" 1
218 1 31 LYS QB 1 90 LEU QD 3.000 . 6.300 2.924 2.343 3.317 . 0 0 "[ . 1 . 2 . 3 . ]" 1
219 1 31 LYS QD 1 90 LEU QD 4.000 . 8.000 3.073 2.089 4.932 . 0 0 "[ . 1 . 2 . 3 . ]" 1
220 1 31 LYS QG 1 90 LEU QD 3.000 . 6.300 3.508 2.088 3.981 . 0 0 "[ . 1 . 2 . 3 . ]" 1
221 1 31 LYS QE 1 90 LEU QD 3.000 . 6.300 3.902 3.329 4.190 . 0 0 "[ . 1 . 2 . 3 . ]" 1
222 1 32 ALA H 1 32 ALA MB 2.500 . 3.900 2.123 2.078 2.272 . 0 0 "[ . 1 . 2 . 3 . ]" 1
223 1 32 ALA MB 1 33 GLN HA 4.000 . 6.000 3.632 3.599 3.767 . 0 0 "[ . 1 . 2 . 3 . ]" 1
224 1 32 ALA H 1 33 GLN H 3.000 . 3.500 3.067 2.924 3.118 . 0 0 "[ . 1 . 2 . 3 . ]" 1
225 1 32 ALA MB 1 33 GLN H 3.000 . 4.500 2.337 2.084 2.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1
226 1 32 ALA MB 1 35 LEU H 4.000 . 6.000 4.225 4.161 4.325 . 0 0 "[ . 1 . 2 . 3 . ]" 1
227 1 32 ALA MB 1 35 LEU HB2 4.000 . 6.000 3.896 3.761 4.121 . 0 0 "[ . 1 . 2 . 3 . ]" 1
228 1 32 ALA HA 1 35 LEU HB2 3.000 . 3.300 2.585 2.353 2.963 . 0 0 "[ . 1 . 2 . 3 . ]" 1
229 1 32 ALA HA 1 35 LEU QD 3.000 . 5.300 2.573 2.063 3.472 . 0 0 "[ . 1 . 2 . 3 . ]" 1
230 1 32 ALA HA 1 35 LEU HG 4.000 . 5.000 4.381 2.390 5.028 0.028 8 0 "[ . 1 . 2 . 3 . ]" 1
231 1 32 ALA H 1 35 LEU QD 4.000 . 7.000 4.110 3.699 4.990 . 0 0 "[ . 1 . 2 . 3 . ]" 1
232 1 32 ALA HA 1 35 LEU H 4.000 . 5.000 3.103 2.990 3.283 . 0 0 "[ . 1 . 2 . 3 . ]" 1
233 1 32 ALA MB 1 37 LEU HA 5.000 . 7.000 5.825 5.708 5.911 . 0 0 "[ . 1 . 2 . 3 . ]" 1
234 1 32 ALA MB 1 37 LEU MD1 3.000 . 5.300 1.952 1.824 2.133 . 0 0 "[ . 1 . 2 . 3 . ]" 1
235 1 32 ALA HA 1 37 LEU HG 5.000 . 6.000 4.446 4.321 4.590 . 0 0 "[ . 1 . 2 . 3 . ]" 1
236 1 32 ALA MB 1 37 LEU QD 2.500 . 5.700 1.898 1.806 2.025 . 0 0 "[ . 1 . 2 . 3 . ]" 1
237 1 32 ALA HA 1 37 LEU QD 4.000 . 7.000 2.185 2.045 2.470 . 0 0 "[ . 1 . 2 . 3 . ]" 1
238 1 32 ALA MB 1 42 LEU HA 5.000 . 7.000 4.490 4.175 4.862 . 0 0 "[ . 1 . 2 . 3 . ]" 1
239 1 32 ALA MB 1 42 LEU MD1 3.000 . 5.300 2.283 2.028 2.742 . 0 0 "[ . 1 . 2 . 3 . ]" 1
240 1 32 ALA HA 1 42 LEU MD1 5.000 . 7.000 4.339 4.102 4.735 . 0 0 "[ . 1 . 2 . 3 . ]" 1
241 1 32 ALA MB 1 42 LEU QD 2.500 . 5.700 2.268 2.021 2.711 . 0 0 "[ . 1 . 2 . 3 . ]" 1
242 1 32 ALA MB 1 42 LEU HG 4.000 . 6.000 4.060 3.677 4.373 . 0 0 "[ . 1 . 2 . 3 . ]" 1
243 1 32 ALA MB 1 45 LEU MD1 4.000 . 7.000 3.525 2.243 3.980 . 0 0 "[ . 1 . 2 . 3 . ]" 1
244 1 32 ALA MB 1 45 LEU QD 2.500 . 5.700 1.856 1.708 2.144 0.092 38 0 "[ . 1 . 2 . 3 . ]" 1
245 1 32 ALA MB 1 45 LEU HB3 4.000 . 6.000 3.880 3.464 4.325 . 0 0 "[ . 1 . 2 . 3 . ]" 1
246 1 32 ALA H 1 45 LEU QD 4.000 . 7.000 3.921 3.621 4.357 . 0 0 "[ . 1 . 2 . 3 . ]" 1
247 1 32 ALA MB 1 90 LEU QD 2.500 . 5.700 2.853 2.435 3.436 . 0 0 "[ . 1 . 2 . 3 . ]" 1
248 1 32 ALA HA 1 90 LEU QD 3.000 . 5.300 2.528 2.196 3.252 . 0 0 "[ . 1 . 2 . 3 . ]" 1
249 1 32 ALA H 1 90 LEU QD 4.000 . 7.000 3.674 3.209 3.996 . 0 0 "[ . 1 . 2 . 3 . ]" 1
250 1 33 GLN H 1 33 GLN QE 4.000 . 6.000 3.557 2.796 4.656 . 0 0 "[ . 1 . 2 . 3 . ]" 1
251 1 33 GLN HA 1 34 ARG H 3.000 . 3.500 3.541 3.518 3.574 0.074 4 0 "[ . 1 . 2 . 3 . ]" 1
252 1 33 GLN H 1 34 ARG H 3.000 . 3.500 2.837 2.791 2.888 . 0 0 "[ . 1 . 2 . 3 . ]" 1
253 1 33 GLN QB 1 34 ARG H 2.500 . 3.900 2.606 2.491 2.785 . 0 0 "[ . 1 . 2 . 3 . ]" 1
254 1 33 GLN HA 1 36 HIS HA 5.000 . 6.000 2.931 2.492 3.189 . 0 0 "[ . 1 . 2 . 3 . ]" 1
255 1 33 GLN HA 1 36 HIS H 3.000 . 3.500 3.016 2.780 3.196 . 0 0 "[ . 1 . 2 . 3 . ]" 1
256 1 33 GLN HA 1 42 LEU MD2 5.000 . 7.000 3.698 3.482 4.161 . 0 0 "[ . 1 . 2 . 3 . ]" 1
257 1 33 GLN HA 1 42 LEU QD 3.000 . 5.300 2.932 2.768 3.143 . 0 0 "[ . 1 . 2 . 3 . ]" 1
258 1 33 GLN QG 1 42 LEU QD 4.000 . 8.000 2.377 2.213 2.602 . 0 0 "[ . 1 . 2 . 3 . ]" 1
259 1 33 GLN H 1 42 LEU QD 5.000 . 8.000 3.407 3.094 3.840 . 0 0 "[ . 1 . 2 . 3 . ]" 1
260 1 34 ARG H 1 35 LEU H 2.500 . 2.900 2.659 2.492 2.710 . 0 0 "[ . 1 . 2 . 3 . ]" 1
261 1 34 ARG HA 1 35 LEU H 3.000 . 3.500 3.524 3.465 3.565 0.065 17 0 "[ . 1 . 2 . 3 . ]" 1
262 1 34 ARG QB 1 35 LEU H 3.000 . 4.500 2.724 2.573 2.779 . 0 0 "[ . 1 . 2 . 3 . ]" 1
263 1 34 ARG HA 1 36 HIS HD2 5.000 . 6.000 2.686 2.594 2.877 . 0 0 "[ . 1 . 2 . 3 . ]" 1
264 1 34 ARG QB 1 36 HIS H 3.000 . 4.500 4.152 4.098 4.182 . 0 0 "[ . 1 . 2 . 3 . ]" 1
265 1 34 ARG HA 1 36 HIS H 3.000 . 3.500 3.598 3.508 3.630 0.130 27 0 "[ . 1 . 2 . 3 . ]" 1
266 1 35 LEU HA 1 35 LEU QD 3.000 . 5.300 2.480 1.885 2.929 . 0 0 "[ . 1 . 2 . 3 . ]" 1
267 1 35 LEU HB2 1 35 LEU QD 2.500 . 4.700 2.181 2.017 2.506 . 0 0 "[ . 1 . 2 . 3 . ]" 1
268 1 35 LEU HB3 1 35 LEU QD 3.000 . 5.300 2.139 2.001 2.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1
269 1 35 LEU H 1 35 LEU QD 3.000 . 5.500 2.414 1.990 3.232 . 0 0 "[ . 1 . 2 . 3 . ]" 1
270 1 35 LEU HA 1 36 HIS HD2 5.000 . 6.000 4.369 4.227 4.635 . 0 0 "[ . 1 . 2 . 3 . ]" 1
271 1 35 LEU HA 1 36 HIS HB2 4.000 . 5.000 4.026 3.968 4.135 . 0 0 "[ . 1 . 2 . 3 . ]" 1
272 1 35 LEU HA 1 36 HIS H 3.000 . 3.300 3.338 3.298 3.355 0.055 23 0 "[ . 1 . 2 . 3 . ]" 1
273 1 35 LEU H 1 36 HIS H 2.500 . 2.900 2.284 2.226 2.373 . 0 0 "[ . 1 . 2 . 3 . ]" 1
274 1 35 LEU HB2 1 36 HIS H . . 3.300 3.267 3.174 3.325 0.025 26 0 "[ . 1 . 2 . 3 . ]" 1
275 1 35 LEU QD 1 36 HIS H 3.000 . 5.500 3.958 3.729 4.215 . 0 0 "[ . 1 . 2 . 3 . ]" 1
276 1 35 LEU HA 1 37 LEU MD1 5.000 . 7.000 4.453 3.945 4.948 . 0 0 "[ . 1 . 2 . 3 . ]" 1
277 1 35 LEU HB2 1 37 LEU HG 4.000 . 5.000 3.201 2.606 3.701 . 0 0 "[ . 1 . 2 . 3 . ]" 1
278 1 35 LEU QD 1 37 LEU HG 4.000 . 7.000 3.880 3.663 4.356 . 0 0 "[ . 1 . 2 . 3 . ]" 1
279 1 35 LEU HB3 1 37 LEU QD 4.000 . 7.000 3.055 2.654 3.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1
280 1 35 LEU HB2 1 37 LEU QD 4.000 . 7.000 2.239 2.045 2.660 . 0 0 "[ . 1 . 2 . 3 . ]" 1
281 1 35 LEU HB2 1 36 HIS HA 5.000 . 6.000 5.102 4.896 5.226 . 0 0 "[ . 1 . 2 . 3 . ]" 1
282 1 35 LEU HB2 1 37 LEU H 4.000 . 5.000 4.275 3.750 5.056 0.056 4 0 "[ . 1 . 2 . 3 . ]" 1
283 1 35 LEU H 1 37 LEU H 5.000 . 6.000 4.737 4.387 5.443 . 0 0 "[ . 1 . 2 . 3 . ]" 1
284 1 35 LEU H 1 37 LEU QD 4.000 . 7.000 3.197 2.877 3.652 . 0 0 "[ . 1 . 2 . 3 . ]" 1
285 1 35 LEU QD 1 90 LEU HA 3.000 . 5.300 3.393 2.880 3.910 . 0 0 "[ . 1 . 2 . 3 . ]" 1
286 1 36 HIS HB2 1 36 HIS HD2 3.000 . 3.300 3.075 3.001 3.128 . 0 0 "[ . 1 . 2 . 3 . ]" 1
287 1 36 HIS HB3 1 36 HIS HD2 4.000 . 5.000 3.995 3.978 4.002 . 0 0 "[ . 1 . 2 . 3 . ]" 1
288 1 36 HIS HA 1 36 HIS HD2 3.000 . 3.300 3.317 3.208 3.456 0.156 26 0 "[ . 1 . 2 . 3 . ]" 1
289 1 36 HIS HB3 1 37 LEU H 5.000 . 6.000 4.191 3.954 4.289 . 0 0 "[ . 1 . 2 . 3 . ]" 1
290 1 36 HIS HB2 1 37 LEU H 5.000 . 6.000 4.523 4.451 4.667 . 0 0 "[ . 1 . 2 . 3 . ]" 1
291 1 36 HIS HA 1 37 LEU H 3.000 . 3.500 2.478 2.339 2.564 . 0 0 "[ . 1 . 2 . 3 . ]" 1
292 1 36 HIS H 1 37 LEU QD 4.000 . 7.000 2.934 2.446 3.415 . 0 0 "[ . 1 . 2 . 3 . ]" 1
293 1 36 HIS HA 1 42 LEU MD2 4.000 . 6.000 4.900 4.711 4.940 . 0 0 "[ . 1 . 2 . 3 . ]" 1
294 1 36 HIS HA 1 42 LEU QD 4.000 . 7.000 3.922 3.490 4.219 . 0 0 "[ . 1 . 2 . 3 . ]" 1
295 1 37 LEU HB2 1 37 LEU QD 3.000 . 5.300 2.061 2.005 2.098 . 0 0 "[ . 1 . 2 . 3 . ]" 1
296 1 37 LEU HA 1 37 LEU QD 2.500 . 4.700 3.083 2.995 3.142 . 0 0 "[ . 1 . 2 . 3 . ]" 1
297 1 37 LEU HB3 1 37 LEU QD 2.500 . 4.700 2.162 2.071 2.290 . 0 0 "[ . 1 . 2 . 3 . ]" 1
298 1 37 LEU HB3 1 37 LEU MD2 3.000 . 4.300 2.203 2.103 2.349 . 0 0 "[ . 1 . 2 . 3 . ]" 1
299 1 37 LEU HB2 1 37 LEU MD1 3.000 . 4.300 2.180 2.161 2.200 . 0 0 "[ . 1 . 2 . 3 . ]" 1
300 1 37 LEU H 1 37 LEU QD 3.000 . 5.500 1.583 1.466 1.799 0.334 14 0 "[ . 1 . 2 . 3 . ]" 1
301 1 37 LEU HA 1 38 PRO QB 5.000 . 7.000 4.746 4.699 4.868 . 0 0 "[ . 1 . 2 . 3 . ]" 1
302 1 37 LEU HA 1 38 PRO QG 4.000 . 6.000 3.898 3.844 4.041 . 0 0 "[ . 1 . 2 . 3 . ]" 1
303 1 37 LEU HB3 1 38 PRO QG 5.000 . 7.000 4.359 3.994 4.554 . 0 0 "[ . 1 . 2 . 3 . ]" 1
304 1 37 LEU HB2 1 38 PRO QD 4.000 . 6.000 3.696 3.365 3.845 . 0 0 "[ . 1 . 2 . 3 . ]" 1
305 1 37 LEU HB3 1 38 PRO QD 4.000 . 6.000 2.567 2.124 2.781 . 0 0 "[ . 1 . 2 . 3 . ]" 1
306 1 37 LEU QD 1 38 PRO QD 3.000 . 6.300 3.682 3.414 3.853 . 0 0 "[ . 1 . 2 . 3 . ]" 1
307 1 37 LEU HA 1 38 PRO QD 3.000 . 4.300 1.967 1.918 2.104 . 0 0 "[ . 1 . 2 . 3 . ]" 1
308 1 37 LEU QD 1 38 PRO QG 4.000 . 8.000 5.045 4.761 5.224 . 0 0 "[ . 1 . 2 . 3 . ]" 1
309 1 37 LEU HB3 1 41 ARG QB 4.000 . 6.000 2.701 2.318 3.090 . 0 0 "[ . 1 . 2 . 3 . ]" 1
310 1 37 LEU QD 1 41 ARG QB 3.000 . 6.300 3.530 2.942 3.849 . 0 0 "[ . 1 . 2 . 3 . ]" 1
311 1 37 LEU QD 1 41 ARG QD 3.000 . 6.300 2.959 1.973 3.738 . 0 0 "[ . 1 . 2 . 3 . ]" 1
312 1 37 LEU QD 1 42 LEU QD 2.500 . 6.700 1.783 1.724 1.853 0.076 24 0 "[ . 1 . 2 . 3 . ]" 1
313 1 37 LEU HB2 1 42 LEU QD 4.000 . 7.000 1.793 1.720 1.920 0.080 7 0 "[ . 1 . 2 . 3 . ]" 1
314 1 37 LEU QD 1 42 LEU HG 3.000 . 5.300 3.856 3.681 3.980 . 0 0 "[ . 1 . 2 . 3 . ]" 1
315 1 37 LEU H 1 42 LEU QD 4.000 . 7.000 2.457 2.019 2.721 . 0 0 "[ . 1 . 2 . 3 . ]" 1
316 1 37 LEU QD 1 42 LEU H 5.000 . 8.000 4.664 4.446 4.799 . 0 0 "[ . 1 . 2 . 3 . ]" 1
317 1 37 LEU QD 1 45 LEU QD 3.000 . 7.300 2.250 2.001 2.638 . 0 0 "[ . 1 . 2 . 3 . ]" 1
318 1 37 LEU QD 1 88 TYR QD 4.000 . 9.400 3.342 2.735 3.808 . 0 0 "[ . 1 . 2 . 3 . ]" 1
319 1 37 LEU MD2 1 88 TYR HA 5.000 . 7.000 5.338 5.040 5.535 . 0 0 "[ . 1 . 2 . 3 . ]" 1
320 1 37 LEU QD 1 88 TYR HB2 4.000 . 7.000 4.637 4.317 4.906 . 0 0 "[ . 1 . 2 . 3 . ]" 1
321 1 37 LEU QD 1 90 LEU QD 3.000 . 7.300 2.477 2.025 3.254 . 0 0 "[ . 1 . 2 . 3 . ]" 1
322 1 38 PRO HA 1 39 PRO QD 2.500 . 3.700 2.025 1.967 2.096 . 0 0 "[ . 1 . 2 . 3 . ]" 1
323 1 38 PRO HA 1 39 PRO QB 5.000 . 7.000 4.806 4.770 4.864 . 0 0 "[ . 1 . 2 . 3 . ]" 1
324 1 38 PRO QB 1 39 PRO QD 4.000 . 7.000 2.369 2.174 2.609 . 0 0 "[ . 1 . 2 . 3 . ]" 1
325 1 38 PRO HA 1 39 PRO QG 4.000 . 6.000 3.958 3.896 4.037 . 0 0 "[ . 1 . 2 . 3 . ]" 1
326 1 38 PRO HA 1 39 PRO HA 5.000 . 6.000 4.427 4.408 4.456 . 0 0 "[ . 1 . 2 . 3 . ]" 1
327 1 38 PRO QG 1 39 PRO QD 3.000 . 5.300 4.074 3.943 4.235 . 0 0 "[ . 1 . 2 . 3 . ]" 1
328 1 38 PRO QB 1 40 VAL HB 3.000 . 4.300 3.849 3.739 3.969 . 0 0 "[ . 1 . 2 . 3 . ]" 1
329 1 38 PRO QB 1 40 VAL QG 4.000 . 8.000 2.159 2.104 2.236 . 0 0 "[ . 1 . 2 . 3 . ]" 1
330 1 38 PRO QG 1 40 VAL QG 5.000 . 9.000 3.250 3.056 3.413 . 0 0 "[ . 1 . 2 . 3 . ]" 1
331 1 38 PRO QB 1 40 VAL H 3.000 . 4.500 3.130 2.945 3.337 . 0 0 "[ . 1 . 2 . 3 . ]" 1
332 1 38 PRO QD 1 41 ARG QB 3.000 . 5.300 2.738 2.623 3.141 . 0 0 "[ . 1 . 2 . 3 . ]" 1
333 1 38 PRO QB 1 41 ARG H 4.000 . 6.000 2.541 2.313 2.747 . 0 0 "[ . 1 . 2 . 3 . ]" 1
334 1 39 PRO QB 1 40 VAL QG 4.000 . 8.000 4.104 4.077 4.145 . 0 0 "[ . 1 . 2 . 3 . ]" 1
335 1 39 PRO QB 1 40 VAL H 2.500 . 3.900 2.321 2.228 2.443 . 0 0 "[ . 1 . 2 . 3 . ]" 1
336 1 39 PRO HA 1 40 VAL H 3.000 . 3.500 3.538 3.520 3.549 0.049 14 0 "[ . 1 . 2 . 3 . ]" 1
337 1 39 PRO HA 1 41 ARG H 4.000 . 5.000 4.797 4.641 4.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1
338 1 39 PRO HA 1 42 LEU MD1 5.000 . 7.000 4.457 3.940 4.925 . 0 0 "[ . 1 . 2 . 3 . ]" 1
339 1 39 PRO HA 1 42 LEU QB 3.000 . 4.300 2.192 2.033 2.314 . 0 0 "[ . 1 . 2 . 3 . ]" 1
340 1 39 PRO HA 1 42 LEU MD2 4.000 . 6.000 3.228 2.996 3.396 . 0 0 "[ . 1 . 2 . 3 . ]" 1
341 1 39 PRO HA 1 42 LEU QD 4.000 . 7.000 3.154 2.919 3.317 . 0 0 "[ . 1 . 2 . 3 . ]" 1
342 1 40 VAL HA 1 40 VAL QG 2.500 . 4.700 2.187 2.160 2.198 . 0 0 "[ . 1 . 2 . 3 . ]" 1
343 1 40 VAL H 1 40 VAL QG 2.500 . 4.900 2.625 2.594 2.661 . 0 0 "[ . 1 . 2 . 3 . ]" 1
344 1 40 VAL QG 1 41 ARG QG 4.000 . 8.000 3.393 2.261 3.998 . 0 0 "[ . 1 . 2 . 3 . ]" 1
345 1 40 VAL QG 1 41 ARG HA 4.000 . 7.000 2.854 2.819 2.893 . 0 0 "[ . 1 . 2 . 3 . ]" 1
346 1 40 VAL QG 1 41 ARG QD 4.000 . 8.000 4.349 3.832 4.851 . 0 0 "[ . 1 . 2 . 3 . ]" 1
347 1 40 VAL HA 1 41 ARG H 3.000 . 3.500 3.566 3.547 3.587 0.087 8 0 "[ . 1 . 2 . 3 . ]" 1
348 1 40 VAL HA 1 41 ARG HA 5.000 . 6.000 4.707 4.674 4.745 . 0 0 "[ . 1 . 2 . 3 . ]" 1
349 1 40 VAL QG 1 41 ARG H 3.000 . 5.500 1.472 1.434 1.515 0.366 2 0 "[ . 1 . 2 . 3 . ]" 1
350 1 40 VAL HB 1 41 ARG H 3.000 . 3.500 3.432 3.382 3.476 . 0 0 "[ . 1 . 2 . 3 . ]" 1
351 1 40 VAL H 1 41 ARG H 2.500 . 2.900 3.005 2.953 3.053 0.153 2 0 "[ . 1 . 2 . 3 . ]" 1
352 1 40 VAL H 1 42 LEU H 3.000 . 3.500 3.722 3.659 3.785 0.285 24 0 "[ . 1 . 2 . 3 . ]" 1
353 1 40 VAL HA 1 43 ALA MB 4.000 . 7.000 2.857 2.784 3.011 . 0 0 "[ . 1 . 2 . 3 . ]" 1
354 1 40 VAL QG 1 43 ALA H 5.000 . 8.000 4.071 4.026 4.134 . 0 0 "[ . 1 . 2 . 3 . ]" 1
355 1 41 ARG H 1 42 LEU H 2.500 . 2.900 2.407 2.330 2.447 . 0 0 "[ . 1 . 2 . 3 . ]" 1
356 1 41 ARG H 1 42 LEU HA 5.000 . 6.000 5.078 5.003 5.107 . 0 0 "[ . 1 . 2 . 3 . ]" 1
357 1 41 ARG QB 1 42 LEU H 4.000 . 6.000 2.965 2.848 3.038 . 0 0 "[ . 1 . 2 . 3 . ]" 1
358 1 41 ARG QB 1 43 ALA H 4.000 . 6.000 4.662 4.573 4.751 . 0 0 "[ . 1 . 2 . 3 . ]" 1
359 1 41 ARG H 1 43 ALA H 4.000 . 5.000 3.926 3.840 4.019 . 0 0 "[ . 1 . 2 . 3 . ]" 1
360 1 41 ARG H 1 43 ALA MB 4.000 . 6.000 4.855 4.818 4.911 . 0 0 "[ . 1 . 2 . 3 . ]" 1
361 1 41 ARG HA 1 43 ALA H 5.000 . 6.000 3.915 3.806 4.017 . 0 0 "[ . 1 . 2 . 3 . ]" 1
362 1 41 ARG HA 1 44 GLU QB 3.000 . 4.300 2.464 2.235 2.695 . 0 0 "[ . 1 . 2 . 3 . ]" 1
363 1 41 ARG HA 1 44 GLU QG 4.000 . 6.000 3.703 2.132 4.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1
364 1 41 ARG HA 1 44 GLU H 3.000 . 3.500 3.166 3.020 3.274 . 0 0 "[ . 1 . 2 . 3 . ]" 1
365 1 41 ARG H 1 44 GLU H 4.000 . 5.000 4.657 4.550 4.737 . 0 0 "[ . 1 . 2 . 3 . ]" 1
366 1 41 ARG HA 1 45 LEU H 4.000 . 5.000 3.981 3.900 4.041 . 0 0 "[ . 1 . 2 . 3 . ]" 1
367 1 41 ARG QD 1 88 TYR QE 4.000 . 8.400 3.766 2.020 4.625 . 0 0 "[ . 1 . 2 . 3 . ]" 1
368 1 41 ARG QG 1 88 TYR QE 4.000 . 8.400 2.857 2.032 4.157 . 0 0 "[ . 1 . 2 . 3 . ]" 1
369 1 41 ARG HA 1 88 TYR QE 4.000 . 7.400 3.862 3.625 4.125 . 0 0 "[ . 1 . 2 . 3 . ]" 1
370 1 42 LEU QB 1 42 LEU MD2 3.000 . 5.300 2.098 2.068 2.110 . 0 0 "[ . 1 . 2 . 3 . ]" 1
371 1 42 LEU HA 1 42 LEU MD2 4.000 . 6.000 3.741 3.690 3.815 . 0 0 "[ . 1 . 2 . 3 . ]" 1
372 1 42 LEU HA 1 42 LEU QD 2.500 . 4.700 2.096 1.979 2.372 . 0 0 "[ . 1 . 2 . 3 . ]" 1
373 1 42 LEU QB 1 42 LEU QD 2.500 . 5.700 1.899 1.833 1.941 . 0 0 "[ . 1 . 2 . 3 . ]" 1
374 1 42 LEU H 1 42 LEU QD 4.000 . 7.000 3.661 3.587 3.733 . 0 0 "[ . 1 . 2 . 3 . ]" 1
375 1 42 LEU QD 1 43 ALA H 5.000 . 8.000 4.298 4.218 4.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1
376 1 42 LEU H 1 43 ALA H 3.000 . 3.500 2.376 2.344 2.434 . 0 0 "[ . 1 . 2 . 3 . ]" 1
377 1 42 LEU HA 1 43 ALA H 4.000 . 5.000 3.473 3.453 3.510 . 0 0 "[ . 1 . 2 . 3 . ]" 1
378 1 42 LEU QB 1 43 ALA H 3.000 . 4.500 3.026 2.923 3.071 . 0 0 "[ . 1 . 2 . 3 . ]" 1
379 1 42 LEU QD 1 44 GLU H 4.000 . 7.000 5.207 5.152 5.279 . 0 0 "[ . 1 . 2 . 3 . ]" 1
380 1 42 LEU H 1 44 GLU H 4.000 . 5.000 3.694 3.652 3.749 . 0 0 "[ . 1 . 2 . 3 . ]" 1
381 1 42 LEU HA 1 45 LEU HA 5.000 . 6.000 5.458 5.300 5.653 . 0 0 "[ . 1 . 2 . 3 . ]" 1
382 1 42 LEU HA 1 45 LEU QD 4.000 . 7.000 3.672 3.184 4.007 . 0 0 "[ . 1 . 2 . 3 . ]" 1
383 1 42 LEU QD 1 45 LEU QD 3.000 . 7.300 2.879 2.376 3.213 . 0 0 "[ . 1 . 2 . 3 . ]" 1
384 1 42 LEU QD 1 45 LEU HB3 4.000 . 7.000 3.336 3.089 3.843 . 0 0 "[ . 1 . 2 . 3 . ]" 1
385 1 42 LEU QD 1 45 LEU QB 3.000 . 6.300 3.254 3.022 3.715 . 0 0 "[ . 1 . 2 . 3 . ]" 1
386 1 42 LEU HA 1 45 LEU HB2 4.000 . 5.000 4.200 4.023 4.412 . 0 0 "[ . 1 . 2 . 3 . ]" 1
387 1 42 LEU HA 1 45 LEU HB3 4.000 . 5.000 2.854 2.644 3.048 . 0 0 "[ . 1 . 2 . 3 . ]" 1
388 1 42 LEU HA 1 45 LEU QB 3.000 . 4.300 2.809 2.610 2.981 . 0 0 "[ . 1 . 2 . 3 . ]" 1
389 1 42 LEU HA 1 46 HIS H 3.000 . 3.500 3.256 3.111 3.324 . 0 0 "[ . 1 . 2 . 3 . ]" 1
390 1 42 LEU QB 1 46 HIS H 4.000 . 6.000 4.612 4.546 4.662 . 0 0 "[ . 1 . 2 . 3 . ]" 1
391 1 42 LEU QD 1 46 HIS H 3.000 . 5.500 4.069 3.689 4.185 . 0 0 "[ . 1 . 2 . 3 . ]" 1
392 1 42 LEU HG 1 46 HIS H 3.000 . 3.500 3.643 3.539 3.691 0.191 14 0 "[ . 1 . 2 . 3 . ]" 1
393 1 42 LEU QD 1 47 ALA H 5.000 . 8.000 5.613 5.468 5.691 . 0 0 "[ . 1 . 2 . 3 . ]" 1
394 1 43 ALA H 1 43 ALA MB 2.500 . 3.900 2.237 2.190 2.277 . 0 0 "[ . 1 . 2 . 3 . ]" 1
395 1 43 ALA HA 1 44 GLU H 4.000 . 5.000 3.434 3.423 3.443 . 0 0 "[ . 1 . 2 . 3 . ]" 1
396 1 43 ALA MB 1 44 GLU H 2.500 . 3.900 2.564 2.498 2.614 . 0 0 "[ . 1 . 2 . 3 . ]" 1
397 1 43 ALA H 1 44 GLU H 3.000 . 3.500 2.114 2.015 2.182 . 0 0 "[ . 1 . 2 . 3 . ]" 1
398 1 43 ALA H 1 45 LEU H 5.000 . 6.000 4.281 4.160 4.364 . 0 0 "[ . 1 . 2 . 3 . ]" 1
399 1 43 ALA HA 1 45 LEU H 4.000 . 5.000 4.956 4.755 5.021 0.021 22 0 "[ . 1 . 2 . 3 . ]" 1
400 1 43 ALA MB 1 45 LEU H 4.000 . 6.000 4.934 4.845 4.991 . 0 0 "[ . 1 . 2 . 3 . ]" 1
401 1 43 ALA HA 1 46 HIS QB 3.000 . 4.300 2.176 1.956 2.399 . 0 0 "[ . 1 . 2 . 3 . ]" 1
402 1 43 ALA MB 1 46 HIS QB 4.000 . 7.000 3.799 3.616 3.972 . 0 0 "[ . 1 . 2 . 3 . ]" 1
403 1 43 ALA HA 1 46 HIS H 3.000 . 3.500 3.469 3.390 3.618 0.118 17 0 "[ . 1 . 2 . 3 . ]" 1
404 1 43 ALA HA 1 47 ALA H 5.000 . 6.000 2.824 2.592 2.970 . 0 0 "[ . 1 . 2 . 3 . ]" 1
405 1 44 GLU H 1 45 LEU H 2.500 . 2.900 2.926 2.888 2.948 0.048 23 0 "[ . 1 . 2 . 3 . ]" 1
406 1 44 GLU HA 1 45 LEU H 3.000 . 3.500 3.577 3.552 3.594 0.094 11 0 "[ . 1 . 2 . 3 . ]" 1
407 1 44 GLU QB 1 45 LEU H 3.000 . 4.500 2.028 1.978 2.203 . 0 0 "[ . 1 . 2 . 3 . ]" 1
408 1 44 GLU H 1 46 HIS H 4.000 . 5.000 3.823 3.725 4.134 . 0 0 "[ . 1 . 2 . 3 . ]" 1
409 1 44 GLU HA 1 47 ALA MB 2.500 . 3.700 2.902 2.858 2.979 . 0 0 "[ . 1 . 2 . 3 . ]" 1
410 1 44 GLU HA 1 47 ALA H 4.000 . 5.000 4.010 3.924 4.171 . 0 0 "[ . 1 . 2 . 3 . ]" 1
411 1 44 GLU QB 1 88 TYR QE 4.000 . 8.400 2.369 1.935 3.058 . 0 0 "[ . 1 . 2 . 3 . ]" 1
412 1 45 LEU HA 1 45 LEU MD2 4.000 . 6.000 3.824 3.545 3.910 . 0 0 "[ . 1 . 2 . 3 . ]" 1
413 1 45 LEU HA 1 45 LEU MD1 3.000 . 4.300 2.548 2.105 3.382 . 0 0 "[ . 1 . 2 . 3 . ]" 1
414 1 45 LEU HB2 1 45 LEU QD 2.500 . 4.700 2.059 2.010 2.127 . 0 0 "[ . 1 . 2 . 3 . ]" 1
415 1 45 LEU HA 1 45 LEU QD 3.000 . 5.300 2.491 2.096 3.101 . 0 0 "[ . 1 . 2 . 3 . ]" 1
416 1 45 LEU H 1 45 LEU QD 4.000 . 7.000 3.734 3.647 3.767 . 0 0 "[ . 1 . 2 . 3 . ]" 1
417 1 45 LEU H 1 45 LEU MD1 4.000 . 6.000 4.174 4.071 4.361 . 0 0 "[ . 1 . 2 . 3 . ]" 1
418 1 45 LEU H 1 46 HIS H 2.500 . 2.900 2.740 2.698 2.789 . 0 0 "[ . 1 . 2 . 3 . ]" 1
419 1 45 LEU QB 1 46 HIS H 4.000 . 6.000 2.656 2.158 2.814 . 0 0 "[ . 1 . 2 . 3 . ]" 1
420 1 45 LEU MD1 1 46 HIS H 4.000 . 6.000 4.739 4.058 4.907 . 0 0 "[ . 1 . 2 . 3 . ]" 1
421 1 45 LEU QD 1 46 HIS H 4.000 . 7.000 3.600 2.829 3.952 . 0 0 "[ . 1 . 2 . 3 . ]" 1
422 1 45 LEU H 1 47 ALA H 5.000 . 6.000 4.402 4.228 4.463 . 0 0 "[ . 1 . 2 . 3 . ]" 1
423 1 45 LEU HA 1 48 ASP HB3 4.000 . 5.000 4.483 4.280 4.716 . 0 0 "[ . 1 . 2 . 3 . ]" 1
424 1 45 LEU HA 1 48 ASP HB2 4.000 . 5.000 2.854 2.637 3.073 . 0 0 "[ . 1 . 2 . 3 . ]" 1
425 1 45 LEU QD 1 48 ASP HB2 4.000 . 7.000 4.026 2.852 4.738 . 0 0 "[ . 1 . 2 . 3 . ]" 1
426 1 45 LEU HA 1 48 ASP H 4.000 . 5.000 3.844 3.508 4.032 . 0 0 "[ . 1 . 2 . 3 . ]" 1
427 1 45 LEU HA 1 49 LEU MD1 4.000 . 6.000 4.301 3.107 4.787 . 0 0 "[ . 1 . 2 . 3 . ]" 1
428 1 45 LEU HG 1 49 LEU MD1 4.000 . 6.000 2.298 2.008 2.742 . 0 0 "[ . 1 . 2 . 3 . ]" 1
429 1 45 LEU QD 1 49 LEU HG 3.000 . 5.300 2.951 2.052 4.004 . 0 0 "[ . 1 . 2 . 3 . ]" 1
430 1 45 LEU HG 1 49 LEU QD 4.000 . 7.000 2.265 1.797 2.688 0.003 23 0 "[ . 1 . 2 . 3 . ]" 1
431 1 45 LEU QD 1 49 LEU QD 3.000 . 7.300 2.106 1.784 2.344 0.016 17 0 "[ . 1 . 2 . 3 . ]" 1
432 1 45 LEU HG 1 49 LEU HG 4.000 . 5.000 2.418 2.143 4.103 . 0 0 "[ . 1 . 2 . 3 . ]" 1
433 1 45 LEU HA 1 49 LEU H 4.000 . 5.000 3.590 3.405 3.817 . 0 0 "[ . 1 . 2 . 3 . ]" 1
434 1 45 LEU HA 1 84 ILE MG 4.000 . 6.000 3.806 3.574 4.151 . 0 0 "[ . 1 . 2 . 3 . ]" 1
435 1 45 LEU QD 1 84 ILE MG 3.000 . 6.300 2.378 2.032 3.294 . 0 0 "[ . 1 . 2 . 3 . ]" 1
436 1 45 LEU QD 1 88 TYR QD 4.000 . 9.400 2.337 2.135 2.796 . 0 0 "[ . 1 . 2 . 3 . ]" 1
437 1 45 LEU QD 1 88 TYR QE 4.000 . 9.400 2.548 2.254 3.301 . 0 0 "[ . 1 . 2 . 3 . ]" 1
438 1 45 LEU HA 1 88 TYR QE 4.000 . 7.400 2.585 2.182 2.985 . 0 0 "[ . 1 . 2 . 3 . ]" 1
439 1 45 LEU MD1 1 88 TYR HA 5.000 . 7.000 4.651 4.438 5.474 . 0 0 "[ . 1 . 2 . 3 . ]" 1
440 1 45 LEU QD 1 88 TYR HB3 4.000 . 7.000 3.132 2.851 3.507 . 0 0 "[ . 1 . 2 . 3 . ]" 1
441 1 45 LEU H 1 88 TYR QE 4.000 . 7.400 2.875 2.498 3.238 . 0 0 "[ . 1 . 2 . 3 . ]" 1
442 1 46 HIS QB 1 46 HIS HD2 3.000 . 4.300 2.909 2.855 3.069 . 0 0 "[ . 1 . 2 . 3 . ]" 1
443 1 46 HIS HA 1 46 HIS HD2 3.000 . 3.300 2.896 2.550 3.027 . 0 0 "[ . 1 . 2 . 3 . ]" 1
444 1 46 HIS QB 1 47 ALA H 3.000 . 4.500 2.317 2.276 2.357 . 0 0 "[ . 1 . 2 . 3 . ]" 1
445 1 46 HIS HA 1 47 ALA H 4.000 . 5.000 3.551 3.544 3.562 . 0 0 "[ . 1 . 2 . 3 . ]" 1
446 1 46 HIS H 1 47 ALA H 2.500 . 2.900 2.632 2.536 2.925 0.025 7 0 "[ . 1 . 2 . 3 . ]" 1
447 1 46 HIS H 1 48 ASP H 4.000 . 5.000 4.300 4.184 4.573 . 0 0 "[ . 1 . 2 . 3 . ]" 1
448 1 46 HIS HD2 1 49 LEU QD 4.000 . 7.000 3.853 3.326 4.137 . 0 0 "[ . 1 . 2 . 3 . ]" 1
449 1 46 HIS HA 1 49 LEU QD 3.000 . 5.300 2.607 2.310 2.773 . 0 0 "[ . 1 . 2 . 3 . ]" 1
450 1 46 HIS HA 1 49 LEU QB 4.000 . 6.000 2.288 2.182 2.509 . 0 0 "[ . 1 . 2 . 3 . ]" 1
451 1 46 HIS HA 1 49 LEU H 4.000 . 5.000 3.661 3.540 3.831 . 0 0 "[ . 1 . 2 . 3 . ]" 1
452 1 46 HIS HE1 1 50 LYS QG 3.000 . 4.300 3.437 3.125 3.782 . 0 0 "[ . 1 . 2 . 3 . ]" 1
453 1 46 HIS HE1 1 50 LYS QE 3.000 . 4.300 2.553 1.951 3.768 . 0 0 "[ . 1 . 2 . 3 . ]" 1
454 1 46 HIS HE1 1 50 LYS QD 3.000 . 4.300 2.447 2.166 3.717 . 0 0 "[ . 1 . 2 . 3 . ]" 1
455 1 46 HIS HA 1 50 LYS H 5.000 . 6.000 4.134 4.039 4.374 . 0 0 "[ . 1 . 2 . 3 . ]" 1
456 1 47 ALA H 1 47 ALA MB 2.500 . 3.900 2.245 2.239 2.255 . 0 0 "[ . 1 . 2 . 3 . ]" 1
457 1 47 ALA MB 1 48 ASP HA 4.000 . 6.000 3.768 3.747 3.780 . 0 0 "[ . 1 . 2 . 3 . ]" 1
458 1 47 ALA HA 1 48 ASP H 3.000 . 3.500 3.570 3.564 3.576 0.076 38 0 "[ . 1 . 2 . 3 . ]" 1
459 1 47 ALA H 1 48 ASP H 2.500 . 2.900 2.937 2.905 2.968 0.068 33 0 "[ . 1 . 2 . 3 . ]" 1
460 1 47 ALA MB 1 48 ASP H 2.500 . 3.900 2.109 2.094 2.124 . 0 0 "[ . 1 . 2 . 3 . ]" 1
461 1 47 ALA H 1 49 LEU H 5.000 . 6.000 4.173 4.106 4.242 . 0 0 "[ . 1 . 2 . 3 . ]" 1
462 1 47 ALA HA 1 49 LEU H 4.000 . 5.000 4.643 4.471 4.730 . 0 0 "[ . 1 . 2 . 3 . ]" 1
463 1 47 ALA HA 1 50 LYS QD 4.000 . 6.000 3.729 2.056 4.956 . 0 0 "[ . 1 . 2 . 3 . ]" 1
464 1 47 ALA HA 1 50 LYS QG 3.000 . 4.300 2.730 2.131 3.770 . 0 0 "[ . 1 . 2 . 3 . ]" 1
465 1 47 ALA MB 1 51 ILE MD 4.000 . 7.000 2.979 2.854 3.106 . 0 0 "[ . 1 . 2 . 3 . ]" 1
466 1 48 ASP H 1 49 LEU H 2.500 . 2.900 2.809 2.771 2.864 . 0 0 "[ . 1 . 2 . 3 . ]" 1
467 1 48 ASP HB2 1 49 LEU H 3.000 . 3.500 2.366 2.255 2.466 . 0 0 "[ . 1 . 2 . 3 . ]" 1
468 1 48 ASP HA 1 49 LEU H 4.000 . 5.000 3.553 3.533 3.568 . 0 0 "[ . 1 . 2 . 3 . ]" 1
469 1 48 ASP HB3 1 49 LEU H 4.000 . 5.000 3.471 3.273 3.720 . 0 0 "[ . 1 . 2 . 3 . ]" 1
470 1 48 ASP HA 1 51 ILE MD 2.500 . 3.700 2.702 2.654 2.730 . 0 0 "[ . 1 . 2 . 3 . ]" 1
471 1 48 ASP HA 1 51 ILE HB 4.000 . 5.000 2.307 2.227 2.399 . 0 0 "[ . 1 . 2 . 3 . ]" 1
472 1 48 ASP HA 1 51 ILE MG 4.000 . 6.000 3.730 3.674 3.848 . 0 0 "[ . 1 . 2 . 3 . ]" 1
473 1 48 ASP HA 1 51 ILE H 4.000 . 5.000 3.284 3.192 3.346 . 0 0 "[ . 1 . 2 . 3 . ]" 1
474 1 48 ASP HB3 1 84 ILE MD 4.000 . 6.000 3.179 2.700 3.401 . 0 0 "[ . 1 . 2 . 3 . ]" 1
475 1 48 ASP HB3 1 84 ILE MG 4.000 . 6.000 3.859 3.208 4.202 . 0 0 "[ . 1 . 2 . 3 . ]" 1
476 1 48 ASP HB2 1 84 ILE MD 4.000 . 6.000 3.980 3.406 4.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1
477 1 48 ASP HA 1 84 ILE MD 4.000 . 6.000 4.697 4.232 4.876 . 0 0 "[ . 1 . 2 . 3 . ]" 1
478 1 48 ASP QB 1 88 TYR QE 3.000 . 6.700 3.283 2.988 3.784 . 0 0 "[ . 1 . 2 . 3 . ]" 1
479 1 48 ASP HB2 1 88 TYR QE 4.000 . 7.400 3.424 3.083 3.988 . 0 0 "[ . 1 . 2 . 3 . ]" 1
480 1 49 LEU HA 1 49 LEU QD 2.500 . 4.700 1.939 1.902 1.983 . 0 0 "[ . 1 . 2 . 3 . ]" 1
481 1 49 LEU H 1 49 LEU QD 2.500 . 4.900 3.239 1.936 3.351 . 0 0 "[ . 1 . 2 . 3 . ]" 1
482 1 49 LEU HA 1 50 LYS H 5.000 . 6.000 3.554 3.543 3.571 . 0 0 "[ . 1 . 2 . 3 . ]" 1
483 1 49 LEU QB 1 50 LYS H 3.000 . 4.500 2.713 2.592 2.787 . 0 0 "[ . 1 . 2 . 3 . ]" 1
484 1 49 LEU QD 1 50 LYS H 4.000 . 7.000 4.144 3.834 4.183 . 0 0 "[ . 1 . 2 . 3 . ]" 1
485 1 49 LEU H 1 50 LYS QG 4.000 . 6.000 4.523 4.209 5.085 . 0 0 "[ . 1 . 2 . 3 . ]" 1
486 1 49 LEU H 1 51 ILE H 4.000 . 5.000 4.520 4.439 4.590 . 0 0 "[ . 1 . 2 . 3 . ]" 1
487 1 49 LEU HA 1 51 ILE H 4.000 . 5.000 4.919 4.815 5.012 0.012 33 0 "[ . 1 . 2 . 3 . ]" 1
488 1 49 LEU QD 1 52 GLN HB2 4.000 . 7.000 4.025 3.800 4.400 . 0 0 "[ . 1 . 2 . 3 . ]" 1
489 1 49 LEU HA 1 52 GLN HB2 4.000 . 5.000 3.457 3.216 3.859 . 0 0 "[ . 1 . 2 . 3 . ]" 1
490 1 49 LEU HA 1 52 GLN HB3 4.000 . 5.000 2.882 2.510 3.082 . 0 0 "[ . 1 . 2 . 3 . ]" 1
491 1 49 LEU QD 1 84 ILE MD 2.500 . 5.700 2.666 2.463 2.755 . 0 0 "[ . 1 . 2 . 3 . ]" 1
492 1 49 LEU HA 1 84 ILE MD 3.000 . 4.300 3.228 2.921 3.429 . 0 0 "[ . 1 . 2 . 3 . ]" 1
493 1 49 LEU QD 1 84 ILE MG 2.500 . 5.700 2.430 2.107 2.668 . 0 0 "[ . 1 . 2 . 3 . ]" 1
494 1 49 LEU H 1 84 ILE MG 4.000 . 6.000 4.319 4.008 4.585 . 0 0 "[ . 1 . 2 . 3 . ]" 1
495 1 50 LYS QD 1 51 ILE MD 4.000 . 7.000 4.577 3.662 5.047 . 0 0 "[ . 1 . 2 . 3 . ]" 1
496 1 50 LYS HA 1 51 ILE H 4.000 . 5.000 3.550 3.538 3.579 . 0 0 "[ . 1 . 2 . 3 . ]" 1
497 1 50 LYS H 1 51 ILE H 2.500 . 2.900 2.715 2.680 2.780 . 0 0 "[ . 1 . 2 . 3 . ]" 1
498 1 50 LYS H 1 52 GLN H 5.000 . 6.000 4.268 4.218 4.354 . 0 0 "[ . 1 . 2 . 3 . ]" 1
499 1 50 LYS HA 1 53 GLU QB 4.000 . 6.000 1.907 1.835 1.957 . 0 0 "[ . 1 . 2 . 3 . ]" 1
500 1 50 LYS HA 1 53 GLU H 2.500 . 2.900 2.968 2.945 3.002 0.102 16 0 "[ . 1 . 2 . 3 . ]" 1
501 1 51 ILE HB 1 51 ILE MD 2.500 . 3.700 2.384 2.360 2.405 . 0 0 "[ . 1 . 2 . 3 . ]" 1
502 1 51 ILE HA 1 51 ILE MD 3.000 . 4.300 2.328 2.279 2.390 . 0 0 "[ . 1 . 2 . 3 . ]" 1
503 1 51 ILE HA 1 51 ILE MG 2.500 . 3.700 2.551 2.495 2.585 . 0 0 "[ . 1 . 2 . 3 . ]" 1
504 1 51 ILE H 1 51 ILE QG 2.500 . 3.900 3.392 3.319 3.422 . 0 0 "[ . 1 . 2 . 3 . ]" 1
505 1 51 ILE H 1 51 ILE MD 2.500 . 3.900 1.827 1.733 1.888 0.067 24 0 "[ . 1 . 2 . 3 . ]" 1
506 1 51 ILE MG 1 52 GLN HA 4.000 . 6.000 2.999 2.923 3.101 . 0 0 "[ . 1 . 2 . 3 . ]" 1
507 1 51 ILE H 1 52 GLN H 3.000 . 3.500 3.099 3.067 3.129 . 0 0 "[ . 1 . 2 . 3 . ]" 1
508 1 51 ILE HA 1 52 GLN H 4.000 . 5.000 3.603 3.591 3.616 . 0 0 "[ . 1 . 2 . 3 . ]" 1
509 1 51 ILE MG 1 52 GLN H 3.000 . 4.500 2.515 2.446 2.641 . 0 0 "[ . 1 . 2 . 3 . ]" 1
510 1 51 ILE H 1 53 GLU H 4.000 . 5.000 3.709 3.682 3.756 . 0 0 "[ . 1 . 2 . 3 . ]" 1
511 1 51 ILE HA 1 54 ARG HB3 4.000 . 5.000 4.611 4.471 4.728 . 0 0 "[ . 1 . 2 . 3 . ]" 1
512 1 51 ILE HA 1 54 ARG QG 4.000 . 6.000 3.110 2.805 3.366 . 0 0 "[ . 1 . 2 . 3 . ]" 1
513 1 51 ILE HA 1 54 ARG HB2 4.000 . 5.000 2.968 2.846 3.072 . 0 0 "[ . 1 . 2 . 3 . ]" 1
514 1 51 ILE HA 1 54 ARG H 4.000 . 5.000 3.262 3.190 3.502 . 0 0 "[ . 1 . 2 . 3 . ]" 1
515 1 51 ILE MD 1 54 ARG H 4.000 . 6.000 4.793 4.768 4.826 . 0 0 "[ . 1 . 2 . 3 . ]" 1
516 1 51 ILE HA 1 55 ASP H 4.000 . 5.000 4.464 4.395 4.546 . 0 0 "[ . 1 . 2 . 3 . ]" 1
517 1 51 ILE MG 1 55 ASP H 4.000 . 6.000 4.207 4.108 4.381 . 0 0 "[ . 1 . 2 . 3 . ]" 1
518 1 52 GLN HB3 1 52 GLN QE 4.000 . 6.000 4.127 3.846 4.351 . 0 0 "[ . 1 . 2 . 3 . ]" 1
519 1 52 GLN HB2 1 52 GLN QE 3.000 . 4.300 3.564 2.623 3.920 . 0 0 "[ . 1 . 2 . 3 . ]" 1
520 1 52 GLN H 1 53 GLU H 3.000 . 3.500 2.682 2.624 2.725 . 0 0 "[ . 1 . 2 . 3 . ]" 1
521 1 52 GLN HA 1 55 ASP HB3 4.000 . 5.000 4.244 3.992 4.362 . 0 0 "[ . 1 . 2 . 3 . ]" 1
522 1 52 GLN HA 1 55 ASP HB2 4.000 . 5.000 2.587 2.420 2.687 . 0 0 "[ . 1 . 2 . 3 . ]" 1
523 1 52 GLN HA 1 55 ASP H 3.000 . 3.500 3.336 3.245 3.440 . 0 0 "[ . 1 . 2 . 3 . ]" 1
524 1 52 GLN HA 1 56 GLU H 4.000 . 5.000 3.807 3.622 4.139 . 0 0 "[ . 1 . 2 . 3 . ]" 1
525 1 52 GLN QE 1 77 LEU HG 3.000 . 4.300 3.412 1.878 3.901 . 0 0 "[ . 1 . 2 . 3 . ]" 1
526 1 52 GLN QE 1 77 LEU HA 4.000 . 6.000 2.571 1.892 3.039 . 0 0 "[ . 1 . 2 . 3 . ]" 1
527 1 52 GLN QE 1 77 LEU QD 4.000 . 8.000 1.689 1.460 2.827 0.340 30 0 "[ . 1 . 2 . 3 . ]" 1
528 1 52 GLN QE 1 77 LEU HB3 4.000 . 6.000 3.678 1.644 4.737 0.156 17 0 "[ . 1 . 2 . 3 . ]" 1
529 1 52 GLN QE 1 80 ASN QB 4.000 . 7.000 2.120 1.555 2.709 0.245 34 0 "[ . 1 . 2 . 3 . ]" 1
530 1 52 GLN QG 1 81 LEU QD 4.000 . 8.000 1.977 1.704 2.633 0.096 30 0 "[ . 1 . 2 . 3 . ]" 1
531 1 52 GLN QE 1 81 LEU H 4.000 . 6.000 4.769 3.313 5.398 . 0 0 "[ . 1 . 2 . 3 . ]" 1
532 1 52 GLN QE 1 81 LEU QD 4.000 . 8.000 3.711 2.450 4.604 . 0 0 "[ . 1 . 2 . 3 . ]" 1
533 1 52 GLN QG 1 84 ILE MD 4.000 . 7.000 2.676 2.297 3.271 . 0 0 "[ . 1 . 2 . 3 . ]" 1
534 1 53 GLU HA 1 54 ARG H 4.000 . 5.000 3.567 3.520 3.633 . 0 0 "[ . 1 . 2 . 3 . ]" 1
535 1 53 GLU H 1 54 ARG H 3.000 . 3.500 2.629 2.507 2.873 . 0 0 "[ . 1 . 2 . 3 . ]" 1
536 1 53 GLU HA 1 56 GLU HB3 4.000 . 5.000 3.718 3.545 4.084 . 0 0 "[ . 1 . 2 . 3 . ]" 1
537 1 53 GLU HA 1 56 GLU H 4.000 . 5.000 3.079 2.748 3.267 . 0 0 "[ . 1 . 2 . 3 . ]" 1
538 1 53 GLU QG 1 57 LEU QD 4.000 . 8.000 1.944 1.697 2.589 0.103 14 0 "[ . 1 . 2 . 3 . ]" 1
539 1 53 GLU HA 1 57 LEU H 4.000 . 5.000 3.211 3.061 3.500 . 0 0 "[ . 1 . 2 . 3 . ]" 1
540 1 53 GLU QG 1 57 LEU H 2.500 . 3.900 3.187 3.050 3.566 . 0 0 "[ . 1 . 2 . 3 . ]" 1
541 1 54 ARG QG 1 55 ASP H 3.000 . 4.500 4.140 4.102 4.170 . 0 0 "[ . 1 . 2 . 3 . ]" 1
542 1 54 ARG HB3 1 55 ASP H 3.000 . 3.500 3.598 3.585 3.619 0.119 24 0 "[ . 1 . 2 . 3 . ]" 1
543 1 54 ARG HA 1 55 ASP H 4.000 . 5.000 3.483 3.468 3.501 . 0 0 "[ . 1 . 2 . 3 . ]" 1
544 1 54 ARG HB2 1 55 ASP H 2.500 . 2.900 2.747 2.705 2.795 . 0 0 "[ . 1 . 2 . 3 . ]" 1
545 1 54 ARG H 1 55 ASP H 3.000 . 3.500 2.498 2.340 2.738 . 0 0 "[ . 1 . 2 . 3 . ]" 1
546 1 54 ARG H 1 55 ASP HB2 5.000 . 6.000 4.737 4.549 4.969 . 0 0 "[ . 1 . 2 . 3 . ]" 1
547 1 54 ARG H 1 56 GLU H 5.000 . 6.000 3.910 3.784 4.141 . 0 0 "[ . 1 . 2 . 3 . ]" 1
548 1 54 ARG HA 1 57 LEU HB2 4.000 . 5.000 2.928 2.278 3.167 . 0 0 "[ . 1 . 2 . 3 . ]" 1
549 1 54 ARG HA 1 57 LEU HB3 4.000 . 5.000 4.431 3.736 4.820 . 0 0 "[ . 1 . 2 . 3 . ]" 1
550 1 54 ARG HA 1 57 LEU QD 3.000 . 5.300 3.231 2.324 3.560 . 0 0 "[ . 1 . 2 . 3 . ]" 1
551 1 54 ARG HA 1 57 LEU H 4.000 . 5.000 3.836 3.493 3.937 . 0 0 "[ . 1 . 2 . 3 . ]" 1
552 1 55 ASP HB3 1 56 GLU H 4.000 . 5.000 3.759 3.671 3.869 . 0 0 "[ . 1 . 2 . 3 . ]" 1
553 1 55 ASP HB2 1 56 GLU H 3.000 . 3.500 2.747 2.623 2.854 . 0 0 "[ . 1 . 2 . 3 . ]" 1
554 1 55 ASP HA 1 56 GLU H 4.000 . 5.000 3.536 3.524 3.557 . 0 0 "[ . 1 . 2 . 3 . ]" 1
555 1 55 ASP H 1 56 GLU H 2.500 . 2.900 2.365 2.318 2.432 . 0 0 "[ . 1 . 2 . 3 . ]" 1
556 1 55 ASP H 1 57 LEU H 4.000 . 5.000 4.029 3.795 4.176 . 0 0 "[ . 1 . 2 . 3 . ]" 1
557 1 55 ASP HA 1 58 ALA MB 2.500 . 3.700 2.199 2.124 2.607 . 0 0 "[ . 1 . 2 . 3 . ]" 1
558 1 55 ASP HA 1 58 ALA H 4.000 . 5.000 3.515 3.359 3.590 . 0 0 "[ . 1 . 2 . 3 . ]" 1
559 1 55 ASP HB2 1 77 LEU QD 4.000 . 7.000 2.209 1.931 3.235 . 0 0 "[ . 1 . 2 . 3 . ]" 1
560 1 55 ASP HB3 1 77 LEU QD 4.000 . 7.000 2.075 1.927 2.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1
561 1 55 ASP HA 1 77 LEU QD 4.000 . 7.000 3.444 3.279 3.845 . 0 0 "[ . 1 . 2 . 3 . ]" 1
562 1 56 GLU H 1 57 LEU H 3.000 . 3.400 2.591 2.502 2.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1
563 1 56 GLU HA 1 57 LEU H 3.000 . 3.500 3.569 3.549 3.578 0.078 18 0 "[ . 1 . 2 . 3 . ]" 1
564 1 56 GLU HB3 1 57 LEU H 3.000 . 3.500 3.314 3.117 3.562 0.062 34 0 "[ . 1 . 2 . 3 . ]" 1
565 1 56 GLU H 1 58 ALA H 4.000 . 5.000 3.892 3.754 4.031 . 0 0 "[ . 1 . 2 . 3 . ]" 1
566 1 56 GLU H 1 58 ALA MB 4.000 . 6.000 4.405 4.288 4.741 . 0 0 "[ . 1 . 2 . 3 . ]" 1
567 1 56 GLU HA 1 59 TRP HB2 4.000 . 5.000 2.853 2.389 3.299 . 0 0 "[ . 1 . 2 . 3 . ]" 1
568 1 56 GLU HA 1 59 TRP HB3 4.000 . 5.000 2.560 2.294 2.717 . 0 0 "[ . 1 . 2 . 3 . ]" 1
569 1 56 GLU HA 1 59 TRP H 3.000 . 3.500 3.222 2.974 3.384 . 0 0 "[ . 1 . 2 . 3 . ]" 1
570 1 56 GLU HA 1 77 LEU QD 3.000 . 5.300 1.945 1.802 2.097 . 0 0 "[ . 1 . 2 . 3 . ]" 1
571 1 56 GLU QG 1 77 LEU QD 4.000 . 8.000 2.091 1.843 2.830 . 0 0 "[ . 1 . 2 . 3 . ]" 1
572 1 56 GLU HB3 1 77 LEU QD 3.000 . 5.300 3.632 3.309 3.832 . 0 0 "[ . 1 . 2 . 3 . ]" 1
573 1 56 GLU H 1 77 LEU QD 4.000 . 7.000 2.833 2.537 3.574 . 0 0 "[ . 1 . 2 . 3 . ]" 1
574 1 57 LEU HA 1 57 LEU QD 2.500 . 4.700 2.133 1.945 2.274 . 0 0 "[ . 1 . 2 . 3 . ]" 1
575 1 57 LEU HB2 1 57 LEU QD 2.500 . 4.700 2.126 1.993 2.506 . 0 0 "[ . 1 . 2 . 3 . ]" 1
576 1 57 LEU HB3 1 57 LEU QD 2.500 . 4.700 2.128 1.992 2.474 . 0 0 "[ . 1 . 2 . 3 . ]" 1
577 1 57 LEU H 1 57 LEU QD 2.500 . 4.900 2.915 1.788 3.288 0.012 14 0 "[ . 1 . 2 . 3 . ]" 1
578 1 57 LEU QD 1 58 ALA H 4.000 . 7.000 3.913 3.641 4.018 . 0 0 "[ . 1 . 2 . 3 . ]" 1
579 1 57 LEU H 1 58 ALA H 2.500 . 2.900 2.679 2.628 2.792 . 0 0 "[ . 1 . 2 . 3 . ]" 1
580 1 57 LEU HB2 1 58 ALA H 3.000 . 3.500 2.535 2.342 2.663 . 0 0 "[ . 1 . 2 . 3 . ]" 1
581 1 57 LEU HA 1 60 LYS HB3 4.000 . 5.000 2.883 2.657 3.148 . 0 0 "[ . 1 . 2 . 3 . ]" 1
582 1 57 LEU QD 1 60 LYS HB2 4.000 . 7.000 4.436 4.081 4.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1
583 1 57 LEU HA 1 60 LYS HB2 4.000 . 5.000 4.379 4.204 4.584 . 0 0 "[ . 1 . 2 . 3 . ]" 1
584 1 57 LEU HA 1 60 LYS QD 4.000 . 6.000 2.958 2.085 4.598 . 0 0 "[ . 1 . 2 . 3 . ]" 1
585 1 57 LEU HA 1 60 LYS H 2.500 . 2.900 3.070 2.990 3.177 0.277 27 0 "[ . 1 . 2 . 3 . ]" 1
586 1 57 LEU HA 1 61 LYS H 4.000 . 5.000 4.022 3.932 4.195 . 0 0 "[ . 1 . 2 . 3 . ]" 1
587 1 58 ALA H 1 58 ALA MB 2.500 . 3.900 2.267 2.243 2.276 . 0 0 "[ . 1 . 2 . 3 . ]" 1
588 1 58 ALA H 1 59 TRP H 2.500 . 2.900 2.592 2.513 2.685 . 0 0 "[ . 1 . 2 . 3 . ]" 1
589 1 58 ALA MB 1 59 TRP H 2.500 . 3.900 2.781 2.750 2.852 . 0 0 "[ . 1 . 2 . 3 . ]" 1
590 1 58 ALA HA 1 61 LYS HB2 4.000 . 5.000 2.891 2.609 3.237 . 0 0 "[ . 1 . 2 . 3 . ]" 1
591 1 58 ALA HA 1 61 LYS HB3 4.000 . 5.000 4.381 4.119 4.717 . 0 0 "[ . 1 . 2 . 3 . ]" 1
592 1 58 ALA HA 1 61 LYS H 4.000 . 5.000 3.679 3.478 3.880 . 0 0 "[ . 1 . 2 . 3 . ]" 1
593 1 59 TRP HB3 1 59 TRP HZ3 5.000 . 6.000 4.995 4.971 5.024 . 0 0 "[ . 1 . 2 . 3 . ]" 1
594 1 59 TRP HH2 1 60 LYS HA 4.000 . 5.000 5.036 4.977 5.105 0.105 16 0 "[ . 1 . 2 . 3 . ]" 1
595 1 59 TRP H 1 60 LYS H 2.500 . 2.900 2.695 2.504 2.799 . 0 0 "[ . 1 . 2 . 3 . ]" 1
596 1 59 TRP QB 1 60 LYS H 3.000 . 4.500 2.248 2.150 2.450 . 0 0 "[ . 1 . 2 . 3 . ]" 1
597 1 59 TRP H 1 61 LYS H 4.000 . 5.000 3.693 3.502 3.822 . 0 0 "[ . 1 . 2 . 3 . ]" 1
598 1 59 TRP HA 1 62 LEU QD 3.000 . 5.300 1.897 1.847 2.083 . 0 0 "[ . 1 . 2 . 3 . ]" 1
599 1 59 TRP HD1 1 62 LEU QD 4.000 . 7.000 2.086 1.947 2.198 . 0 0 "[ . 1 . 2 . 3 . ]" 1
600 1 59 TRP HA 1 62 LEU HB2 4.000 . 5.000 1.966 1.906 2.048 . 0 0 "[ . 1 . 2 . 3 . ]" 1
601 1 59 TRP HA 1 62 LEU HB3 4.000 . 5.000 3.585 3.533 3.673 . 0 0 "[ . 1 . 2 . 3 . ]" 1
602 1 59 TRP H 1 62 LEU QD 4.000 . 7.000 3.651 3.524 3.997 . 0 0 "[ . 1 . 2 . 3 . ]" 1
603 1 59 TRP HA 1 62 LEU H 3.000 . 3.500 2.657 2.460 2.760 . 0 0 "[ . 1 . 2 . 3 . ]" 1
604 1 59 TRP HE1 1 62 LEU QD 3.000 . 5.300 3.710 3.397 3.815 . 0 0 "[ . 1 . 2 . 3 . ]" 1
605 1 59 TRP HZ2 1 63 LYS QB 3.000 . 4.300 2.874 2.513 3.214 . 0 0 "[ . 1 . 2 . 3 . ]" 1
606 1 59 TRP HZ2 1 63 LYS QD 3.000 . 4.300 3.655 3.408 3.732 . 0 0 "[ . 1 . 2 . 3 . ]" 1
607 1 59 TRP HE1 1 68 ASP HB3 2.500 . 2.700 2.857 2.758 2.923 0.223 16 0 "[ . 1 . 2 . 3 . ]" 1
608 1 59 TRP HD1 1 73 LYS HB2 4.000 . 5.000 2.033 1.806 2.184 . 0 0 "[ . 1 . 2 . 3 . ]" 1
609 1 59 TRP HD1 1 73 LYS HB3 4.000 . 5.000 2.896 2.024 3.702 . 0 0 "[ . 1 . 2 . 3 . ]" 1
610 1 59 TRP HE1 1 73 LYS QG 4.000 . 6.000 3.567 2.210 4.332 . 0 0 "[ . 1 . 2 . 3 . ]" 1
611 1 59 TRP HE1 1 73 LYS H 4.000 . 5.000 3.903 3.752 4.277 . 0 0 "[ . 1 . 2 . 3 . ]" 1
612 1 59 TRP HE1 1 73 LYS HA 4.000 . 5.000 5.063 5.002 5.159 0.159 33 0 "[ . 1 . 2 . 3 . ]" 1
613 1 59 TRP HZ2 1 74 GLU QB 4.000 . 6.000 2.540 2.399 2.645 . 0 0 "[ . 1 . 2 . 3 . ]" 1
614 1 59 TRP HD1 1 74 GLU H 3.000 . 3.500 3.587 3.533 3.620 0.120 14 0 "[ . 1 . 2 . 3 . ]" 1
615 1 59 TRP HE1 1 74 GLU H 2.500 . 2.900 2.577 2.452 2.635 . 0 0 "[ . 1 . 2 . 3 . ]" 1
616 1 59 TRP HE1 1 74 GLU QB 2.500 . 3.700 2.280 1.956 2.339 . 0 0 "[ . 1 . 2 . 3 . ]" 1
617 1 59 TRP HE1 1 74 GLU QG 3.000 . 4.300 3.842 3.757 4.060 . 0 0 "[ . 1 . 2 . 3 . ]" 1
618 1 59 TRP HE1 1 75 ALA H 4.000 . 5.000 4.549 4.496 4.628 . 0 0 "[ . 1 . 2 . 3 . ]" 1
619 1 59 TRP HB3 1 77 LEU QD 4.000 . 7.000 2.611 2.379 2.809 . 0 0 "[ . 1 . 2 . 3 . ]" 1
620 1 59 TRP HB2 1 77 LEU QD 4.000 . 7.000 1.876 1.810 1.952 . 0 0 "[ . 1 . 2 . 3 . ]" 1
621 1 59 TRP H 1 77 LEU QD 4.000 . 7.000 3.399 3.317 3.600 . 0 0 "[ . 1 . 2 . 3 . ]" 1
622 1 60 LYS H 1 61 LYS H 3.000 . 3.500 2.804 2.596 2.880 . 0 0 "[ . 1 . 2 . 3 . ]" 1
623 1 60 LYS QG 1 61 LYS H 4.000 . 6.000 1.954 1.745 2.186 0.055 26 0 "[ . 1 . 2 . 3 . ]" 1
624 1 60 LYS HA 1 61 LYS H 4.000 . 5.000 3.511 3.463 3.546 . 0 0 "[ . 1 . 2 . 3 . ]" 1
625 1 60 LYS H 1 62 LEU H 4.000 . 5.000 4.085 3.818 4.346 . 0 0 "[ . 1 . 2 . 3 . ]" 1
626 1 60 LYS HA 1 63 LYS QB 4.000 . 6.000 3.900 3.645 4.338 . 0 0 "[ . 1 . 2 . 3 . ]" 1
627 1 60 LYS HA 1 63 LYS QD 4.000 . 6.000 2.328 2.166 2.809 . 0 0 "[ . 1 . 2 . 3 . ]" 1
628 1 60 LYS HA 1 63 LYS H 4.000 . 5.000 3.873 3.737 4.133 . 0 0 "[ . 1 . 2 . 3 . ]" 1
629 1 60 LYS HA 1 64 LEU H 4.000 . 5.000 4.026 3.847 4.193 . 0 0 "[ . 1 . 2 . 3 . ]" 1
630 1 60 LYS H 1 77 LEU QD 4.000 . 7.000 4.312 4.189 4.500 . 0 0 "[ . 1 . 2 . 3 . ]" 1
631 1 61 LYS QG 1 62 LEU H 4.000 . 6.000 3.849 3.656 4.148 . 0 0 "[ . 1 . 2 . 3 . ]" 1
632 1 61 LYS QB 1 62 LEU H 2.500 . 3.900 2.669 2.323 2.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1
633 1 61 LYS H 1 62 LEU H 2.500 . 2.900 2.502 2.280 2.649 . 0 0 "[ . 1 . 2 . 3 . ]" 1
634 1 61 LYS H 1 62 LEU QB 5.000 . 7.000 4.308 4.224 4.417 . 0 0 "[ . 1 . 2 . 3 . ]" 1
635 1 61 LYS H 1 62 LEU QD 4.000 . 7.000 4.634 4.512 4.812 . 0 0 "[ . 1 . 2 . 3 . ]" 1
636 1 61 LYS H 1 63 LYS H 4.000 . 5.000 4.482 4.408 4.544 . 0 0 "[ . 1 . 2 . 3 . ]" 1
637 1 61 LYS HB3 1 64 LEU HB3 4.000 . 5.000 5.074 5.039 5.096 0.096 19 0 "[ . 1 . 2 . 3 . ]" 1
638 1 61 LYS HA 1 64 LEU HG 4.000 . 5.000 3.759 3.057 4.025 . 0 0 "[ . 1 . 2 . 3 . ]" 1
639 1 61 LYS QG 1 64 LEU QD 4.000 . 8.000 3.454 3.110 4.599 . 0 0 "[ . 1 . 2 . 3 . ]" 1
640 1 61 LYS HA 1 64 LEU QD 3.000 . 5.300 2.613 2.219 3.553 . 0 0 "[ . 1 . 2 . 3 . ]" 1
641 1 61 LYS HA 1 64 LEU HB3 3.000 . 3.300 3.382 3.343 3.419 0.119 14 0 "[ . 1 . 2 . 3 . ]" 1
642 1 61 LYS HA 1 64 LEU HB2 4.000 . 5.000 2.008 1.963 2.048 . 0 0 "[ . 1 . 2 . 3 . ]" 1
643 1 61 LYS HA 1 64 LEU H 3.000 . 3.500 3.290 3.202 3.389 . 0 0 "[ . 1 . 2 . 3 . ]" 1
644 1 61 LYS H 1 64 LEU H 5.000 . 6.000 4.508 4.451 4.543 . 0 0 "[ . 1 . 2 . 3 . ]" 1
645 1 61 LYS HA 1 65 ASP H 4.000 . 5.000 3.588 3.428 3.877 . 0 0 "[ . 1 . 2 . 3 . ]" 1
646 1 62 LEU HB3 1 62 LEU QD 3.000 . 5.300 1.964 1.919 2.026 . 0 0 "[ . 1 . 2 . 3 . ]" 1
647 1 62 LEU HB2 1 62 LEU QD 2.500 . 4.700 2.079 2.055 2.268 . 0 0 "[ . 1 . 2 . 3 . ]" 1
648 1 62 LEU HA 1 62 LEU QD 2.500 . 4.700 2.398 2.011 2.595 . 0 0 "[ . 1 . 2 . 3 . ]" 1
649 1 62 LEU H 1 62 LEU QD 2.500 . 4.900 3.180 3.071 3.262 . 0 0 "[ . 1 . 2 . 3 . ]" 1
650 1 62 LEU QD 1 63 LYS H 3.000 . 5.500 3.693 3.651 3.771 . 0 0 "[ . 1 . 2 . 3 . ]" 1
651 1 62 LEU H 1 63 LYS H 2.500 . 2.900 2.897 2.763 3.095 0.195 10 0 "[ . 1 . 2 . 3 . ]" 1
652 1 62 LEU HB2 1 63 LYS H 2.500 . 2.900 2.229 2.129 2.279 . 0 0 "[ . 1 . 2 . 3 . ]" 1
653 1 62 LEU HG 1 63 LYS H 4.000 . 5.000 4.477 4.296 4.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1
654 1 62 LEU HA 1 63 LYS H 4.000 . 5.000 3.558 3.543 3.579 . 0 0 "[ . 1 . 2 . 3 . ]" 1
655 1 62 LEU H 1 64 LEU H 4.000 . 5.000 3.854 3.671 4.130 . 0 0 "[ . 1 . 2 . 3 . ]" 1
656 1 62 LEU HA 1 65 ASP HB3 4.000 . 5.000 4.827 4.550 5.007 0.007 26 0 "[ . 1 . 2 . 3 . ]" 1
657 1 62 LEU HA 1 65 ASP HB2 4.000 . 5.000 3.202 3.010 3.431 . 0 0 "[ . 1 . 2 . 3 . ]" 1
658 1 62 LEU HA 1 65 ASP H 4.000 . 5.000 3.685 3.564 3.932 . 0 0 "[ . 1 . 2 . 3 . ]" 1
659 1 62 LEU HA 1 67 LEU HG 4.000 . 5.000 3.865 2.653 4.529 . 0 0 "[ . 1 . 2 . 3 . ]" 1
660 1 62 LEU QD 1 67 LEU H 3.000 . 5.500 3.687 3.612 3.883 . 0 0 "[ . 1 . 2 . 3 . ]" 1
661 1 62 LEU QB 1 67 LEU H 4.000 . 6.000 3.539 3.425 3.688 . 0 0 "[ . 1 . 2 . 3 . ]" 1
662 1 62 LEU HA 1 67 LEU H 4.000 . 5.000 3.638 3.439 3.877 . 0 0 "[ . 1 . 2 . 3 . ]" 1
663 1 62 LEU QD 1 68 ASP HB3 4.000 . 7.000 3.859 3.594 4.182 . 0 0 "[ . 1 . 2 . 3 . ]" 1
664 1 62 LEU QD 1 68 ASP HB2 4.000 . 7.000 2.870 2.562 3.308 . 0 0 "[ . 1 . 2 . 3 . ]" 1
665 1 62 LEU HB3 1 68 ASP H 4.000 . 5.000 3.000 2.880 3.267 . 0 0 "[ . 1 . 2 . 3 . ]" 1
666 1 62 LEU HA 1 68 ASP H 4.000 . 5.000 4.440 4.268 4.757 . 0 0 "[ . 1 . 2 . 3 . ]" 1
667 1 62 LEU QD 1 73 LYS QD 3.000 . 6.300 2.491 1.739 3.760 0.061 17 0 "[ . 1 . 2 . 3 . ]" 1
668 1 62 LEU QD 1 73 LYS QG 4.000 . 8.000 2.925 2.065 3.418 . 0 0 "[ . 1 . 2 . 3 . ]" 1
669 1 63 LYS QB 1 64 LEU H 3.000 . 4.500 3.470 3.394 3.559 . 0 0 "[ . 1 . 2 . 3 . ]" 1
670 1 63 LYS HA 1 64 LEU H 4.000 . 5.000 3.577 3.561 3.617 . 0 0 "[ . 1 . 2 . 3 . ]" 1
671 1 63 LYS H 1 64 LEU H 2.500 . 2.900 2.805 2.745 2.864 . 0 0 "[ . 1 . 2 . 3 . ]" 1
672 1 63 LYS H 1 65 ASP H 4.000 . 5.000 4.526 4.275 4.664 . 0 0 "[ . 1 . 2 . 3 . ]" 1
673 1 63 LYS HA 1 65 ASP H 5.000 . 6.000 4.721 4.202 4.923 . 0 0 "[ . 1 . 2 . 3 . ]" 1
674 1 63 LYS HA 1 66 GLY H 4.000 . 5.000 3.418 3.010 3.645 . 0 0 "[ . 1 . 2 . 3 . ]" 1
675 1 63 LYS H 1 67 LEU H 4.000 . 5.000 4.466 4.281 4.643 . 0 0 "[ . 1 . 2 . 3 . ]" 1
676 1 63 LYS HA 1 67 LEU H 4.000 . 5.000 3.182 2.764 3.464 . 0 0 "[ . 1 . 2 . 3 . ]" 1
677 1 63 LYS HA 1 68 ASP HB3 4.000 . 5.000 4.108 3.732 4.457 . 0 0 "[ . 1 . 2 . 3 . ]" 1
678 1 63 LYS HA 1 68 ASP HB2 4.000 . 5.000 5.083 5.038 5.156 0.156 31 0 "[ . 1 . 2 . 3 . ]" 1
679 1 63 LYS HA 1 68 ASP H 4.000 . 5.000 3.261 3.124 3.480 . 0 0 "[ . 1 . 2 . 3 . ]" 1
680 1 64 LEU HB3 1 64 LEU QD 2.500 . 4.700 2.065 2.015 2.161 . 0 0 "[ . 1 . 2 . 3 . ]" 1
681 1 64 LEU HB2 1 64 LEU QD 2.500 . 4.700 2.283 2.188 2.497 . 0 0 "[ . 1 . 2 . 3 . ]" 1
682 1 64 LEU HA 1 64 LEU QD 2.500 . 4.700 2.036 1.884 2.160 . 0 0 "[ . 1 . 2 . 3 . ]" 1
683 1 64 LEU H 1 64 LEU QD 3.000 . 5.500 3.112 1.906 3.363 . 0 0 "[ . 1 . 2 . 3 . ]" 1
684 1 64 LEU QD 1 65 ASP HA 4.000 . 7.000 4.779 4.749 4.835 . 0 0 "[ . 1 . 2 . 3 . ]" 1
685 1 64 LEU QB 1 65 ASP H 3.000 . 4.500 2.456 2.407 2.697 . 0 0 "[ . 1 . 2 . 3 . ]" 1
686 1 64 LEU H 1 65 ASP H 2.500 . 2.900 2.721 2.668 2.788 . 0 0 "[ . 1 . 2 . 3 . ]" 1
687 1 64 LEU HA 1 65 ASP H 3.000 . 3.500 3.561 3.520 3.579 0.079 2 0 "[ . 1 . 2 . 3 . ]" 1
688 1 65 ASP H 1 66 GLY QA 4.000 . 6.000 4.503 4.370 4.556 . 0 0 "[ . 1 . 2 . 3 . ]" 1
689 1 65 ASP QB 1 66 GLY H 4.000 . 6.000 3.268 3.213 3.405 . 0 0 "[ . 1 . 2 . 3 . ]" 1
690 1 65 ASP H 1 66 GLY H 2.500 . 2.900 2.567 2.438 2.634 . 0 0 "[ . 1 . 2 . 3 . ]" 1
691 1 65 ASP HA 1 66 GLY H 3.000 . 3.500 3.376 3.325 3.411 . 0 0 "[ . 1 . 2 . 3 . ]" 1
692 1 65 ASP HB3 1 67 LEU HG 4.000 . 5.000 3.751 3.108 4.689 . 0 0 "[ . 1 . 2 . 3 . ]" 1
693 1 65 ASP HB2 1 67 LEU HG 4.000 . 5.000 3.523 2.827 4.364 . 0 0 "[ . 1 . 2 . 3 . ]" 1
694 1 65 ASP HB3 1 67 LEU QD 4.000 . 7.000 2.902 2.117 3.568 . 0 0 "[ . 1 . 2 . 3 . ]" 1
695 1 65 ASP HB2 1 67 LEU QD 4.000 . 7.000 2.475 1.956 3.162 . 0 0 "[ . 1 . 2 . 3 . ]" 1
696 1 65 ASP HA 1 67 LEU QD 4.000 . 7.000 4.607 3.699 5.183 . 0 0 "[ . 1 . 2 . 3 . ]" 1
697 1 65 ASP QB 1 67 LEU H 4.000 . 6.000 4.005 3.925 4.225 . 0 0 "[ . 1 . 2 . 3 . ]" 1
698 1 65 ASP H 1 67 LEU H 4.000 . 5.000 4.401 4.278 4.493 . 0 0 "[ . 1 . 2 . 3 . ]" 1
699 1 65 ASP H 1 67 LEU HG 5.000 . 6.000 5.356 4.661 5.951 . 0 0 "[ . 1 . 2 . 3 . ]" 1
700 1 65 ASP H 1 67 LEU QD 4.000 . 7.000 3.995 3.305 4.574 . 0 0 "[ . 1 . 2 . 3 . ]" 1
701 1 66 GLY H 1 67 LEU H 3.000 . 3.500 2.743 2.657 2.872 . 0 0 "[ . 1 . 2 . 3 . ]" 1
702 1 66 GLY H 1 67 LEU HB2 5.000 . 6.000 4.479 4.420 4.584 . 0 0 "[ . 1 . 2 . 3 . ]" 1
703 1 66 GLY H 1 68 ASP H 5.000 . 5.000 4.598 4.505 4.787 . 0 0 "[ . 1 . 2 . 3 . ]" 1
704 1 66 GLY QA 1 67 LEU H 5.000 . 6.500 2.570 2.521 2.599 . 0 0 "[ . 1 . 2 . 3 . ]" 1
705 1 66 GLY H 1 67 LEU QB 4.000 . 6.000 4.363 4.308 4.456 . 0 0 "[ . 1 . 2 . 3 . ]" 1
706 1 66 GLY H 1 67 LEU QD 4.000 . 7.000 4.084 2.870 4.751 . 0 0 "[ . 1 . 2 . 3 . ]" 1
707 1 66 GLY QA 1 68 ASP H 4.000 . 6.000 3.847 3.631 3.925 . 0 0 "[ . 1 . 2 . 3 . ]" 1
708 1 67 LEU HA 1 67 LEU QD 2.500 . 4.700 2.185 1.903 2.914 . 0 0 "[ . 1 . 2 . 3 . ]" 1
709 1 67 LEU HB2 1 67 LEU QD 3.000 . 5.300 2.156 2.011 2.365 . 0 0 "[ . 1 . 2 . 3 . ]" 1
710 1 67 LEU HB3 1 67 LEU QD 2.500 . 4.700 2.084 2.012 2.199 . 0 0 "[ . 1 . 2 . 3 . ]" 1
711 1 67 LEU H 1 67 LEU QD 3.000 . 5.500 3.219 2.220 3.673 . 0 0 "[ . 1 . 2 . 3 . ]" 1
712 1 67 LEU QD 1 68 ASP H 3.000 . 5.500 4.069 3.709 4.255 . 0 0 "[ . 1 . 2 . 3 . ]" 1
713 1 67 LEU HA 1 68 ASP H 3.000 . 3.500 3.565 3.511 3.582 0.082 32 0 "[ . 1 . 2 . 3 . ]" 1
714 1 67 LEU H 1 68 ASP H 4.000 . 5.000 2.108 2.015 2.197 . 0 0 "[ . 1 . 2 . 3 . ]" 1
715 1 67 LEU QB 1 68 ASP H 3.000 . 4.500 2.746 2.637 2.949 . 0 0 "[ . 1 . 2 . 3 . ]" 1
716 1 68 ASP HA 1 69 GLU H 2.500 . 2.900 2.384 2.275 2.438 . 0 0 "[ . 1 . 2 . 3 . ]" 1
717 1 68 ASP H 1 69 GLU H 4.000 . 5.000 4.235 4.139 4.421 . 0 0 "[ . 1 . 2 . 3 . ]" 1
718 1 68 ASP HA 1 70 ASP H 3.000 . 3.500 3.563 3.446 3.675 0.175 17 0 "[ . 1 . 2 . 3 . ]" 1
719 1 68 ASP QB 1 71 GLY H 3.000 . 4.500 2.963 2.700 3.461 . 0 0 "[ . 1 . 2 . 3 . ]" 1
720 1 68 ASP HA 1 71 GLY H 4.000 . 5.000 4.142 3.589 4.426 . 0 0 "[ . 1 . 2 . 3 . ]" 1
721 1 68 ASP HB2 1 73 LYS QG 4.000 . 6.000 2.425 1.968 2.768 . 0 0 "[ . 1 . 2 . 3 . ]" 1
722 1 68 ASP HB3 1 73 LYS QD 4.000 . 6.000 3.706 3.457 3.877 . 0 0 "[ . 1 . 2 . 3 . ]" 1
723 1 68 ASP HB2 1 73 LYS QD 4.000 . 6.000 2.320 2.093 2.687 . 0 0 "[ . 1 . 2 . 3 . ]" 1
724 1 68 ASP HB3 1 73 LYS QG 4.000 . 6.000 3.404 2.780 4.137 . 0 0 "[ . 1 . 2 . 3 . ]" 1
725 1 68 ASP HA 1 73 LYS QD 3.000 . 4.300 3.591 3.105 3.880 . 0 0 "[ . 1 . 2 . 3 . ]" 1
726 1 68 ASP H 1 73 LYS QG 4.000 . 6.000 4.873 4.177 5.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1
727 1 69 GLU H 1 70 ASP H 3.000 . 3.500 2.511 2.091 2.860 . 0 0 "[ . 1 . 2 . 3 . ]" 1
728 1 69 GLU HA 1 70 ASP H 3.000 . 3.500 3.402 3.321 3.513 0.013 17 0 "[ . 1 . 2 . 3 . ]" 1
729 1 69 GLU QG 1 70 ASP H 3.000 . 4.500 2.708 1.680 2.965 0.120 7 0 "[ . 1 . 2 . 3 . ]" 1
730 1 69 GLU QB 1 70 ASP H 4.000 . 6.000 3.803 3.310 3.948 . 0 0 "[ . 1 . 2 . 3 . ]" 1
731 1 69 GLU H 1 71 GLY H 4.000 . 5.000 3.923 3.384 4.247 . 0 0 "[ . 1 . 2 . 3 . ]" 1
732 1 70 ASP H 1 71 GLY H 2.500 . 2.900 2.022 1.812 2.560 . 0 0 "[ . 1 . 2 . 3 . ]" 1
733 1 70 ASP H 1 71 GLY QA 4.000 . 6.000 3.975 3.721 4.492 . 0 0 "[ . 1 . 2 . 3 . ]" 1
734 1 70 ASP QB 1 71 GLY H 4.000 . 6.000 3.322 2.880 3.510 . 0 0 "[ . 1 . 2 . 3 . ]" 1
735 1 70 ASP QB 1 72 GLU H 4.000 . 6.000 2.922 2.330 3.449 . 0 0 "[ . 1 . 2 . 3 . ]" 1
736 1 70 ASP H 1 72 GLU QB 4.000 . 6.000 4.696 4.247 5.232 . 0 0 "[ . 1 . 2 . 3 . ]" 1
737 1 70 ASP HA 1 71 GLY H 3.000 . 3.500 3.263 3.063 3.434 . 0 0 "[ . 1 . 2 . 3 . ]" 1
738 1 70 ASP HA 1 71 GLY QA 5.000 . 7.000 4.239 4.211 4.329 . 0 0 "[ . 1 . 2 . 3 . ]" 1
739 1 70 ASP HA 1 72 GLU H 5.000 . 6.000 4.626 4.018 5.064 . 0 0 "[ . 1 . 2 . 3 . ]" 1
740 1 70 ASP QB 1 72 GLU QG 5.000 . 8.000 3.938 1.946 5.196 . 0 0 "[ . 1 . 2 . 3 . ]" 1
741 1 71 GLY HA2 1 72 GLU H 3.000 . 3.500 3.079 2.889 3.222 . 0 0 "[ . 1 . 2 . 3 . ]" 1
742 1 71 GLY H 1 72 GLU H 2.500 . 2.900 2.747 2.565 2.907 0.007 37 0 "[ . 1 . 2 . 3 . ]" 1
743 1 71 GLY H 1 73 LYS H 4.000 . 5.000 4.721 4.428 5.010 0.010 37 0 "[ . 1 . 2 . 3 . ]" 1
744 1 71 GLY QA 1 74 GLU QB 4.000 . 7.000 2.593 2.463 2.883 . 0 0 "[ . 1 . 2 . 3 . ]" 1
745 1 71 GLY HA2 1 74 GLU H 4.000 . 5.000 3.216 3.113 3.364 . 0 0 "[ . 1 . 2 . 3 . ]" 1
746 1 71 GLY QA 1 74 GLU H 2.500 . 3.900 3.090 2.993 3.217 . 0 0 "[ . 1 . 2 . 3 . ]" 1
747 1 71 GLY H 1 74 GLU QB 4.000 . 6.000 4.886 4.748 5.165 . 0 0 "[ . 1 . 2 . 3 . ]" 1
748 1 71 GLY QA 1 75 ALA H 4.000 . 6.000 3.963 3.891 4.038 . 0 0 "[ . 1 . 2 . 3 . ]" 1
749 1 72 GLU H 1 73 LYS QB 4.000 . 6.000 4.869 4.587 5.229 . 0 0 "[ . 1 . 2 . 3 . ]" 1
750 1 72 GLU H 1 73 LYS H 2.500 . 2.900 2.720 2.561 2.907 0.007 16 0 "[ . 1 . 2 . 3 . ]" 1
751 1 72 GLU QB 1 73 LYS H 2.500 . 3.900 2.366 2.224 3.177 . 0 0 "[ . 1 . 2 . 3 . ]" 1
752 1 72 GLU H 1 74 GLU H 4.000 . 5.000 3.711 3.488 4.030 . 0 0 "[ . 1 . 2 . 3 . ]" 1
753 1 72 GLU QG 1 75 ALA MB 4.000 . 7.000 2.773 2.146 4.266 . 0 0 "[ . 1 . 2 . 3 . ]" 1
754 1 72 GLU HA 1 75 ALA MB 2.500 . 3.700 1.957 1.881 2.030 . 0 0 "[ . 1 . 2 . 3 . ]" 1
755 1 72 GLU H 1 75 ALA MB 4.000 . 6.000 4.323 4.169 4.452 . 0 0 "[ . 1 . 2 . 3 . ]" 1
756 1 72 GLU HA 1 75 ALA H 3.000 . 3.500 2.637 2.524 2.846 . 0 0 "[ . 1 . 2 . 3 . ]" 1
757 1 73 LYS QG 1 74 GLU H 3.000 . 4.500 3.467 2.478 4.340 . 0 0 "[ . 1 . 2 . 3 . ]" 1
758 1 73 LYS H 1 74 GLU H 2.500 . 2.900 2.716 2.648 2.840 . 0 0 "[ . 1 . 2 . 3 . ]" 1
759 1 73 LYS H 1 75 ALA H 4.000 . 5.000 3.903 3.805 4.019 . 0 0 "[ . 1 . 2 . 3 . ]" 1
760 1 73 LYS HA 1 76 ARG H 3.000 . 3.500 3.554 3.484 3.643 0.143 24 0 "[ . 1 . 2 . 3 . ]" 1
761 1 74 GLU QG 1 75 ALA HA 4.000 . 6.000 4.739 4.311 4.858 . 0 0 "[ . 1 . 2 . 3 . ]" 1
762 1 74 GLU H 1 75 ALA MB 4.000 . 6.000 3.911 3.849 4.036 . 0 0 "[ . 1 . 2 . 3 . ]" 1
763 1 74 GLU H 1 75 ALA H 3.000 . 3.500 2.131 2.076 2.234 . 0 0 "[ . 1 . 2 . 3 . ]" 1
764 1 74 GLU QB 1 75 ALA H 2.500 . 3.900 2.462 2.300 2.633 . 0 0 "[ . 1 . 2 . 3 . ]" 1
765 1 74 GLU HA 1 75 ALA H 4.000 . 5.000 3.415 3.403 3.437 . 0 0 "[ . 1 . 2 . 3 . ]" 1
766 1 74 GLU QG 1 75 ALA H 5.000 . 7.000 4.107 4.025 4.182 . 0 0 "[ . 1 . 2 . 3 . ]" 1
767 1 74 GLU H 1 76 ARG H 4.000 . 5.000 4.265 4.093 4.477 . 0 0 "[ . 1 . 2 . 3 . ]" 1
768 1 74 GLU HA 1 76 ARG H 5.000 . 6.000 4.961 4.795 5.111 . 0 0 "[ . 1 . 2 . 3 . ]" 1
769 1 74 GLU HA 1 77 LEU HB3 4.000 . 5.000 3.685 3.607 3.962 . 0 0 "[ . 1 . 2 . 3 . ]" 1
770 1 74 GLU HA 1 77 LEU QD 4.000 . 7.000 2.359 2.091 2.636 . 0 0 "[ . 1 . 2 . 3 . ]" 1
771 1 74 GLU HA 1 77 LEU HG 4.000 . 5.000 3.999 3.288 4.735 . 0 0 "[ . 1 . 2 . 3 . ]" 1
772 1 74 GLU HA 1 77 LEU HB2 4.000 . 5.000 2.174 2.073 2.393 . 0 0 "[ . 1 . 2 . 3 . ]" 1
773 1 74 GLU HA 1 77 LEU H 4.000 . 5.000 3.363 3.128 3.627 . 0 0 "[ . 1 . 2 . 3 . ]" 1
774 1 74 GLU QG 1 78 ILE MD 4.000 . 7.000 2.609 2.034 2.799 . 0 0 "[ . 1 . 2 . 3 . ]" 1
775 1 74 GLU HA 1 78 ILE H 4.000 . 5.000 3.649 3.568 3.755 . 0 0 "[ . 1 . 2 . 3 . ]" 1
776 1 74 GLU QG 1 78 ILE H 3.000 . 4.500 3.650 3.624 3.679 . 0 0 "[ . 1 . 2 . 3 . ]" 1
777 1 75 ALA H 1 75 ALA MB 2.500 . 3.900 2.347 2.329 2.362 . 0 0 "[ . 1 . 2 . 3 . ]" 1
778 1 75 ALA H 1 76 ARG H 2.500 . 2.900 3.034 3.011 3.063 0.163 10 0 "[ . 1 . 2 . 3 . ]" 1
779 1 75 ALA MB 1 76 ARG H 2.500 . 3.900 2.012 1.975 2.044 . 0 0 "[ . 1 . 2 . 3 . ]" 1
780 1 75 ALA H 1 77 LEU H 4.000 . 5.000 3.979 3.740 4.117 . 0 0 "[ . 1 . 2 . 3 . ]" 1
781 1 75 ALA MB 1 78 ILE MD 3.000 . 5.300 3.539 3.462 3.598 . 0 0 "[ . 1 . 2 . 3 . ]" 1
782 1 75 ALA HA 1 78 ILE MD 3.000 . 4.300 2.257 2.110 2.386 . 0 0 "[ . 1 . 2 . 3 . ]" 1
783 1 75 ALA HA 1 78 ILE HB 3.000 . 3.300 2.611 2.460 2.798 . 0 0 "[ . 1 . 2 . 3 . ]" 1
784 1 75 ALA MB 1 78 ILE HB 4.000 . 6.000 4.151 4.033 4.307 . 0 0 "[ . 1 . 2 . 3 . ]" 1
785 1 75 ALA HA 1 78 ILE MG 4.000 . 6.000 4.009 3.830 4.234 . 0 0 "[ . 1 . 2 . 3 . ]" 1
786 1 75 ALA HA 1 78 ILE QG 4.000 . 6.000 3.906 3.620 4.054 . 0 0 "[ . 1 . 2 . 3 . ]" 1
787 1 75 ALA HA 1 78 ILE H 3.000 . 3.500 3.535 3.429 3.576 0.076 16 0 "[ . 1 . 2 . 3 . ]" 1
788 1 75 ALA H 1 78 ILE MD 5.000 . 7.000 3.415 3.291 3.586 . 0 0 "[ . 1 . 2 . 3 . ]" 1
789 1 75 ALA H 1 78 ILE H 4.000 . 5.000 4.547 4.502 4.586 . 0 0 "[ . 1 . 2 . 3 . ]" 1
790 1 75 ALA HA 1 79 ARG H 3.000 . 3.500 3.741 3.679 3.785 0.285 38 0 "[ . 1 . 2 . 3 . ]" 1
791 1 76 ARG QG 1 77 LEU H 3.000 . 4.500 3.584 1.649 4.063 0.151 13 0 "[ . 1 . 2 . 3 . ]" 1
792 1 76 ARG QB 1 77 LEU H 4.000 . 6.000 2.506 2.334 3.418 . 0 0 "[ . 1 . 2 . 3 . ]" 1
793 1 76 ARG HA 1 77 LEU H 3.000 . 3.500 3.567 3.531 3.581 0.081 16 0 "[ . 1 . 2 . 3 . ]" 1
794 1 76 ARG H 1 77 LEU H 2.500 . 2.900 2.969 2.858 3.028 0.128 24 0 "[ . 1 . 2 . 3 . ]" 1
795 1 76 ARG HA 1 79 ARG QB 2.500 . 3.700 2.502 2.342 2.891 . 0 0 "[ . 1 . 2 . 3 . ]" 1
796 1 76 ARG HA 1 79 ARG H 3.000 . 3.500 3.575 3.538 3.633 0.133 17 0 "[ . 1 . 2 . 3 . ]" 1
797 1 77 LEU HB3 1 77 LEU QD 3.000 . 5.300 2.092 1.997 2.485 . 0 0 "[ . 1 . 2 . 3 . ]" 1
798 1 77 LEU HA 1 77 LEU QD 2.500 . 4.700 2.184 1.984 2.319 . 0 0 "[ . 1 . 2 . 3 . ]" 1
799 1 77 LEU HB2 1 77 LEU QD 3.000 . 5.300 2.199 2.099 2.273 . 0 0 "[ . 1 . 2 . 3 . ]" 1
800 1 77 LEU H 1 77 LEU QD 4.000 . 7.000 2.952 1.825 3.311 . 0 0 "[ . 1 . 2 . 3 . ]" 1
801 1 77 LEU H 1 78 ILE H 2.500 . 2.900 2.942 2.732 2.997 0.097 26 0 "[ . 1 . 2 . 3 . ]" 1
802 1 77 LEU HB3 1 78 ILE H 3.000 . 3.500 2.979 2.876 3.221 . 0 0 "[ . 1 . 2 . 3 . ]" 1
803 1 77 LEU HA 1 78 ILE H 3.000 . 3.500 3.568 3.557 3.581 0.081 6 0 "[ . 1 . 2 . 3 . ]" 1
804 1 77 LEU H 1 79 ARG H 4.000 . 5.000 4.119 3.874 4.259 . 0 0 "[ . 1 . 2 . 3 . ]" 1
805 1 77 LEU HA 1 80 ASN HB2 3.000 . 3.300 2.522 2.241 2.734 . 0 0 "[ . 1 . 2 . 3 . ]" 1
806 1 77 LEU HA 1 80 ASN HB3 4.000 . 5.000 4.041 3.795 4.289 . 0 0 "[ . 1 . 2 . 3 . ]" 1
807 1 77 LEU HA 1 80 ASN H 3.000 . 3.500 3.250 3.183 3.373 . 0 0 "[ . 1 . 2 . 3 . ]" 1
808 1 77 LEU HA 1 80 ASN QD 4.000 . 6.000 3.438 1.765 4.931 0.035 4 0 "[ . 1 . 2 . 3 . ]" 1
809 1 78 ILE HA 1 78 ILE MD 3.000 . 4.300 3.785 3.752 3.809 . 0 0 "[ . 1 . 2 . 3 . ]" 1
810 1 78 ILE HB 1 78 ILE MD 2.500 . 3.700 2.158 2.066 2.226 . 0 0 "[ . 1 . 2 . 3 . ]" 1
811 1 78 ILE HA 1 78 ILE MG 2.500 . 3.700 2.380 2.339 2.420 . 0 0 "[ . 1 . 2 . 3 . ]" 1
812 1 78 ILE H 1 78 ILE QG 2.500 . 3.900 2.122 1.983 2.213 . 0 0 "[ . 1 . 2 . 3 . ]" 1
813 1 78 ILE H 1 78 ILE MD 2.500 . 3.900 2.867 2.571 3.124 . 0 0 "[ . 1 . 2 . 3 . ]" 1
814 1 78 ILE MG 1 79 ARG HA 4.000 . 6.000 3.330 3.234 3.449 . 0 0 "[ . 1 . 2 . 3 . ]" 1
815 1 78 ILE H 1 79 ARG H 2.500 . 2.900 2.835 2.790 2.922 0.022 27 0 "[ . 1 . 2 . 3 . ]" 1
816 1 78 ILE HA 1 79 ARG H 4.000 . 5.000 3.538 3.518 3.573 . 0 0 "[ . 1 . 2 . 3 . ]" 1
817 1 78 ILE MD 1 79 ARG H 4.000 . 6.000 4.089 3.925 4.205 . 0 0 "[ . 1 . 2 . 3 . ]" 1
818 1 78 ILE QG 1 79 ARG H 3.000 . 4.500 4.074 4.039 4.105 . 0 0 "[ . 1 . 2 . 3 . ]" 1
819 1 78 ILE MG 1 79 ARG H 3.000 . 4.500 3.236 3.119 3.381 . 0 0 "[ . 1 . 2 . 3 . ]" 1
820 1 78 ILE HB 1 79 ARG H 2.500 . 2.900 2.465 2.421 2.516 . 0 0 "[ . 1 . 2 . 3 . ]" 1
821 1 78 ILE H 1 80 ASN H 5.000 . 6.000 3.979 3.807 4.216 . 0 0 "[ . 1 . 2 . 3 . ]" 1
822 1 78 ILE HA 1 81 LEU QD 4.000 . 7.000 2.284 1.970 2.800 . 0 0 "[ . 1 . 2 . 3 . ]" 1
823 1 78 ILE HA 1 81 LEU HB2 3.000 . 3.300 2.331 2.199 2.481 . 0 0 "[ . 1 . 2 . 3 . ]" 1
824 1 78 ILE HA 1 81 LEU HB3 4.000 . 5.000 3.931 3.790 4.090 . 0 0 "[ . 1 . 2 . 3 . ]" 1
825 1 78 ILE HA 1 81 LEU H 3.000 . 3.500 3.174 3.005 3.359 . 0 0 "[ . 1 . 2 . 3 . ]" 1
826 1 78 ILE HA 1 82 ASN H 4.000 . 5.000 3.749 3.642 3.907 . 0 0 "[ . 1 . 2 . 3 . ]" 1
827 1 78 ILE MG 1 82 ASN QD 3.000 . 5.300 2.576 1.696 3.812 0.104 18 0 "[ . 1 . 2 . 3 . ]" 1
828 1 79 ARG H 1 80 ASN H 2.500 . 2.900 2.596 2.538 2.683 . 0 0 "[ . 1 . 2 . 3 . ]" 1
829 1 79 ARG QG 1 80 ASN H 2.500 . 3.900 3.336 3.030 3.600 . 0 0 "[ . 1 . 2 . 3 . ]" 1
830 1 79 ARG HA 1 82 ASN HB2 4.000 . 5.000 2.120 2.045 2.171 . 0 0 "[ . 1 . 2 . 3 . ]" 1
831 1 79 ARG HA 1 82 ASN HB3 3.000 . 3.300 3.554 3.525 3.581 0.281 39 0 "[ . 1 . 2 . 3 . ]" 1
832 1 79 ARG H 1 82 ASN HB2 5.000 . 6.000 4.632 4.595 4.663 . 0 0 "[ . 1 . 2 . 3 . ]" 1
833 1 79 ARG HA 1 82 ASN H 3.000 . 3.500 3.360 3.196 3.455 . 0 0 "[ . 1 . 2 . 3 . ]" 1
834 1 79 ARG HA 1 82 ASN QD 4.000 . 6.000 3.589 2.216 4.887 . 0 0 "[ . 1 . 2 . 3 . ]" 1
835 1 79 ARG QG 1 83 VAL QG 4.000 . 8.000 2.811 2.170 4.786 . 0 0 "[ . 1 . 2 . 3 . ]" 1
836 1 79 ARG QB 1 83 VAL QG 4.000 . 8.000 3.815 3.136 4.276 . 0 0 "[ . 1 . 2 . 3 . ]" 1
837 1 79 ARG HA 1 83 VAL H 4.000 . 5.000 3.627 3.539 3.682 . 0 0 "[ . 1 . 2 . 3 . ]" 1
838 1 80 ASN H 1 80 ASN QD 5.000 . 7.000 3.262 2.221 3.948 . 0 0 "[ . 1 . 2 . 3 . ]" 1
839 1 80 ASN HA 1 80 ASN QD 4.000 . 6.000 3.000 1.688 4.168 0.112 34 0 "[ . 1 . 2 . 3 . ]" 1
840 1 80 ASN HB3 1 80 ASN QD 2.500 . 3.700 2.854 2.518 3.222 . 0 0 "[ . 1 . 2 . 3 . ]" 1
841 1 80 ASN HA 1 81 LEU H 3.000 . 3.500 3.436 3.408 3.474 . 0 0 "[ . 1 . 2 . 3 . ]" 1
842 1 80 ASN H 1 81 LEU H 2.500 . 2.900 2.371 2.261 2.532 . 0 0 "[ . 1 . 2 . 3 . ]" 1
843 1 80 ASN QB 1 81 LEU H 2.500 . 3.900 2.972 2.854 3.027 . 0 0 "[ . 1 . 2 . 3 . ]" 1
844 1 80 ASN H 1 81 LEU QB 4.000 . 6.000 4.298 4.137 4.482 . 0 0 "[ . 1 . 2 . 3 . ]" 1
845 1 80 ASN H 1 81 LEU QD 5.000 . 8.000 4.138 3.303 4.956 . 0 0 "[ . 1 . 2 . 3 . ]" 1
846 1 80 ASN H 1 82 ASN H 4.000 . 5.000 4.082 3.962 4.222 . 0 0 "[ . 1 . 2 . 3 . ]" 1
847 1 80 ASN HA 1 83 VAL HB 3.000 . 3.300 2.663 2.405 2.935 . 0 0 "[ . 1 . 2 . 3 . ]" 1
848 1 80 ASN HA 1 83 VAL QG 3.000 . 5.300 2.639 2.276 3.062 . 0 0 "[ . 1 . 2 . 3 . ]" 1
849 1 80 ASN HB2 1 83 VAL QG 4.000 . 7.000 5.029 4.833 5.253 . 0 0 "[ . 1 . 2 . 3 . ]" 1
850 1 80 ASN HA 1 83 VAL H 3.000 . 3.500 3.491 3.403 3.535 0.035 31 0 "[ . 1 . 2 . 3 . ]" 1
851 1 80 ASN H 1 83 VAL QG 5.000 . 8.000 4.234 3.951 4.680 . 0 0 "[ . 1 . 2 . 3 . ]" 1
852 1 80 ASN HA 1 84 ILE H 3.000 . 3.500 3.584 3.538 3.621 0.121 27 0 "[ . 1 . 2 . 3 . ]" 1
853 1 81 LEU HA 1 81 LEU QD 2.500 . 4.700 2.123 1.875 2.931 . 0 0 "[ . 1 . 2 . 3 . ]" 1
854 1 81 LEU HB2 1 81 LEU QD 2.500 . 4.700 2.205 2.034 2.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1
855 1 81 LEU HB3 1 81 LEU QD 2.500 . 4.700 2.112 2.008 2.284 . 0 0 "[ . 1 . 2 . 3 . ]" 1
856 1 81 LEU H 1 81 LEU QD 2.500 . 4.900 2.899 2.186 3.494 . 0 0 "[ . 1 . 2 . 3 . ]" 1
857 1 81 LEU H 1 82 ASN H 2.500 . 2.900 2.329 2.258 2.453 . 0 0 "[ . 1 . 2 . 3 . ]" 1
858 1 81 LEU HA 1 82 ASN H 3.000 . 3.500 3.519 3.513 3.525 0.025 27 0 "[ . 1 . 2 . 3 . ]" 1
859 1 81 LEU QD 1 82 ASN H 3.000 . 5.500 3.764 3.591 3.947 . 0 0 "[ . 1 . 2 . 3 . ]" 1
860 1 81 LEU QB 1 82 ASN H 2.500 . 3.900 2.286 2.205 2.373 . 0 0 "[ . 1 . 2 . 3 . ]" 1
861 1 81 LEU HA 1 83 VAL H 4.000 . 5.000 4.754 4.704 4.831 . 0 0 "[ . 1 . 2 . 3 . ]" 1
862 1 81 LEU QD 1 84 ILE HB 4.000 . 7.000 3.430 3.055 4.377 . 0 0 "[ . 1 . 2 . 3 . ]" 1
863 1 81 LEU HA 1 84 ILE HB 3.000 . 3.300 2.292 2.215 2.380 . 0 0 "[ . 1 . 2 . 3 . ]" 1
864 1 81 LEU HA 1 84 ILE MD 3.000 . 4.300 2.081 2.019 2.247 . 0 0 "[ . 1 . 2 . 3 . ]" 1
865 1 81 LEU HA 1 84 ILE MG 4.000 . 6.000 3.611 3.491 3.713 . 0 0 "[ . 1 . 2 . 3 . ]" 1
866 1 81 LEU QD 1 84 ILE MD 2.500 . 5.700 2.281 1.977 3.456 . 0 0 "[ . 1 . 2 . 3 . ]" 1
867 1 81 LEU HA 1 84 ILE H 3.000 . 3.500 3.473 3.401 3.524 0.024 24 0 "[ . 1 . 2 . 3 . ]" 1
868 1 82 ASN HA 1 82 ASN QD 4.000 . 6.000 3.031 1.723 3.880 0.077 2 0 "[ . 1 . 2 . 3 . ]" 1
869 1 82 ASN HB3 1 82 ASN QD 3.000 . 4.300 3.038 2.233 3.397 . 0 0 "[ . 1 . 2 . 3 . ]" 1
870 1 82 ASN H 1 82 ASN QD 4.000 . 6.000 2.869 1.957 4.380 . 0 0 "[ . 1 . 2 . 3 . ]" 1
871 1 82 ASN HB2 1 82 ASN QD 3.000 . 4.300 2.706 2.216 3.391 . 0 0 "[ . 1 . 2 . 3 . ]" 1
872 1 82 ASN HA 1 83 VAL H 3.000 . 3.500 3.581 3.571 3.593 0.093 29 0 "[ . 1 . 2 . 3 . ]" 1
873 1 82 ASN HB2 1 83 VAL H 3.000 . 3.500 2.430 2.409 2.459 . 0 0 "[ . 1 . 2 . 3 . ]" 1
874 1 82 ASN HB3 1 83 VAL H 4.000 . 5.000 2.871 2.838 2.906 . 0 0 "[ . 1 . 2 . 3 . ]" 1
875 1 82 ASN H 1 83 VAL H 3.000 . 3.500 3.012 2.977 3.044 . 0 0 "[ . 1 . 2 . 3 . ]" 1
876 1 82 ASN H 1 83 VAL QG 4.000 . 7.000 4.281 4.086 4.660 . 0 0 "[ . 1 . 2 . 3 . ]" 1
877 1 82 ASN H 1 84 ILE H 4.000 . 5.000 4.288 4.237 4.339 . 0 0 "[ . 1 . 2 . 3 . ]" 1
878 1 82 ASN HA 1 85 LEU HB2 3.000 . 3.300 2.779 2.621 2.924 . 0 0 "[ . 1 . 2 . 3 . ]" 1
879 1 82 ASN HA 1 85 LEU HB3 4.000 . 5.000 4.318 4.102 4.556 . 0 0 "[ . 1 . 2 . 3 . ]" 1
880 1 82 ASN HA 1 85 LEU QD 4.000 . 7.000 3.706 3.342 3.913 . 0 0 "[ . 1 . 2 . 3 . ]" 1
881 1 82 ASN HA 1 85 LEU H 3.000 . 3.500 3.608 3.581 3.630 0.130 38 0 "[ . 1 . 2 . 3 . ]" 1
882 1 82 ASN HA 1 86 ALA H 5.000 . 6.000 3.883 3.639 4.116 . 0 0 "[ . 1 . 2 . 3 . ]" 1
883 1 83 VAL HA 1 83 VAL QG 2.500 . 4.700 2.071 2.025 2.119 . 0 0 "[ . 1 . 2 . 3 . ]" 1
884 1 83 VAL H 1 83 VAL QG 3.000 . 5.500 1.905 1.728 2.293 0.072 29 0 "[ . 1 . 2 . 3 . ]" 1
885 1 83 VAL QG 1 84 ILE QG 4.000 . 8.000 3.746 3.261 3.992 . 0 0 "[ . 1 . 2 . 3 . ]" 1
886 1 83 VAL QG 1 84 ILE HB 4.000 . 7.000 4.763 4.464 4.849 . 0 0 "[ . 1 . 2 . 3 . ]" 1
887 1 83 VAL H 1 84 ILE H 2.500 . 2.900 2.881 2.858 2.908 0.008 29 0 "[ . 1 . 2 . 3 . ]" 1
888 1 83 VAL QG 1 84 ILE H 2.500 . 4.900 3.060 2.781 3.135 . 0 0 "[ . 1 . 2 . 3 . ]" 1
889 1 83 VAL HB 1 84 ILE H 2.500 . 2.900 2.270 2.225 2.413 . 0 0 "[ . 1 . 2 . 3 . ]" 1
890 1 83 VAL H 1 85 LEU H 4.000 . 5.000 4.389 4.330 4.502 . 0 0 "[ . 1 . 2 . 3 . ]" 1
891 1 83 VAL HA 1 86 ALA MB 2.500 . 3.700 2.348 2.235 2.513 . 0 0 "[ . 1 . 2 . 3 . ]" 1
892 1 83 VAL QG 1 86 ALA MB 4.000 . 8.000 3.149 2.962 3.371 . 0 0 "[ . 1 . 2 . 3 . ]" 1
893 1 83 VAL HA 1 86 ALA H 4.000 . 5.000 3.421 3.115 3.690 . 0 0 "[ . 1 . 2 . 3 . ]" 1
894 1 83 VAL QG 1 87 LYS HB2 4.000 . 7.000 3.104 2.834 3.323 . 0 0 "[ . 1 . 2 . 3 . ]" 1
895 1 83 VAL QG 1 87 LYS HB3 4.000 . 7.000 4.484 4.115 4.711 . 0 0 "[ . 1 . 2 . 3 . ]" 1
896 1 83 VAL QG 1 87 LYS QG 4.000 . 8.000 3.808 3.432 4.104 . 0 0 "[ . 1 . 2 . 3 . ]" 1
897 1 84 ILE HA 1 84 ILE MD 3.000 . 4.300 3.748 3.712 3.764 . 0 0 "[ . 1 . 2 . 3 . ]" 1
898 1 84 ILE HA 1 84 ILE MG 2.500 . 3.700 2.501 2.440 2.583 . 0 0 "[ . 1 . 2 . 3 . ]" 1
899 1 84 ILE HB 1 84 ILE MD 3.000 . 4.300 2.098 2.050 2.248 . 0 0 "[ . 1 . 2 . 3 . ]" 1
900 1 84 ILE H 1 84 ILE MD 2.500 . 3.900 3.317 3.224 3.345 . 0 0 "[ . 1 . 2 . 3 . ]" 1
901 1 84 ILE H 1 84 ILE QG 2.500 . 3.900 2.428 2.334 2.646 . 0 0 "[ . 1 . 2 . 3 . ]" 1
902 1 84 ILE H 1 85 LEU H 2.500 . 2.900 3.005 2.953 3.045 0.145 31 0 "[ . 1 . 2 . 3 . ]" 1
903 1 84 ILE HB 1 85 LEU H 2.500 . 2.900 2.463 2.389 2.584 . 0 0 "[ . 1 . 2 . 3 . ]" 1
904 1 84 ILE QG 1 85 LEU H 4.000 . 6.000 4.189 4.143 4.275 . 0 0 "[ . 1 . 2 . 3 . ]" 1
905 1 84 ILE HA 1 85 LEU H 4.000 . 5.000 3.583 3.565 3.596 . 0 0 "[ . 1 . 2 . 3 . ]" 1
906 1 84 ILE H 1 86 ALA MB 4.000 . 6.000 4.860 4.811 4.900 . 0 0 "[ . 1 . 2 . 3 . ]" 1
907 1 84 ILE HA 1 87 LYS HB3 4.000 . 5.000 2.965 2.696 3.067 . 0 0 "[ . 1 . 2 . 3 . ]" 1
908 1 84 ILE HA 1 87 LYS HB2 4.000 . 5.000 2.761 2.152 3.023 . 0 0 "[ . 1 . 2 . 3 . ]" 1
909 1 84 ILE HA 1 87 LYS QD 3.000 . 4.300 3.228 2.672 3.617 . 0 0 "[ . 1 . 2 . 3 . ]" 1
910 1 84 ILE H 1 87 LYS H 4.000 . 5.000 4.687 4.523 4.742 . 0 0 "[ . 1 . 2 . 3 . ]" 1
911 1 84 ILE MG 1 87 LYS H 4.000 . 6.000 4.334 4.151 4.461 . 0 0 "[ . 1 . 2 . 3 . ]" 1
912 1 84 ILE HA 1 87 LYS H 4.000 . 5.000 3.610 3.419 3.761 . 0 0 "[ . 1 . 2 . 3 . ]" 1
913 1 84 ILE HA 1 88 TYR QD 4.000 . 7.400 3.731 3.537 3.909 . 0 0 "[ . 1 . 2 . 3 . ]" 1
914 1 84 ILE MG 1 88 TYR QD 3.000 . 6.700 2.406 2.145 2.721 . 0 0 "[ . 1 . 2 . 3 . ]" 1
915 1 84 ILE MG 1 88 TYR QE 3.000 . 6.700 2.554 2.142 3.172 . 0 0 "[ . 1 . 2 . 3 . ]" 1
916 1 84 ILE MG 1 88 TYR HA 5.000 . 7.000 5.720 5.650 5.786 . 0 0 "[ . 1 . 2 . 3 . ]" 1
917 1 84 ILE HA 1 88 TYR QE 4.000 . 7.400 4.043 3.544 4.451 . 0 0 "[ . 1 . 2 . 3 . ]" 1
918 1 84 ILE HA 1 88 TYR H 4.000 . 5.000 4.332 4.221 4.478 . 0 0 "[ . 1 . 2 . 3 . ]" 1
919 1 85 LEU HB2 1 85 LEU QD 2.500 . 4.700 2.336 2.244 2.520 . 0 0 "[ . 1 . 2 . 3 . ]" 1
920 1 85 LEU HB3 1 85 LEU QD 3.000 . 5.300 2.141 1.956 2.220 . 0 0 "[ . 1 . 2 . 3 . ]" 1
921 1 85 LEU HA 1 85 LEU QD 2.500 . 4.700 1.902 1.858 1.956 . 0 0 "[ . 1 . 2 . 3 . ]" 1
922 1 85 LEU H 1 85 LEU QD 2.500 . 4.900 1.766 1.680 2.034 0.120 5 0 "[ . 1 . 2 . 3 . ]" 1
923 1 85 LEU H 1 86 ALA H 2.500 . 2.900 2.832 2.696 2.916 0.016 16 0 "[ . 1 . 2 . 3 . ]" 1
924 1 85 LEU HB3 1 86 ALA H 4.000 . 5.000 3.065 2.909 3.441 . 0 0 "[ . 1 . 2 . 3 . ]" 1
925 1 85 LEU H 1 86 ALA MB 4.000 . 6.000 4.429 4.378 4.493 . 0 0 "[ . 1 . 2 . 3 . ]" 1
926 1 85 LEU QD 1 88 TYR H 3.000 . 5.500 4.128 3.992 4.189 . 0 0 "[ . 1 . 2 . 3 . ]" 1
927 1 85 LEU QD 1 89 GLY H 4.000 . 7.000 4.201 3.989 4.416 . 0 0 "[ . 1 . 2 . 3 . ]" 1
928 1 85 LEU QD 1 90 LEU QB 2.500 . 5.700 2.055 1.708 3.511 0.092 36 0 "[ . 1 . 2 . 3 . ]" 1
929 1 85 LEU QD 1 90 LEU HA 4.000 . 7.000 3.827 3.476 4.619 . 0 0 "[ . 1 . 2 . 3 . ]" 1
930 1 85 LEU HA 1 90 LEU QB 4.000 . 6.000 3.395 2.844 4.803 . 0 0 "[ . 1 . 2 . 3 . ]" 1
931 1 85 LEU HA 1 90 LEU QD 4.000 . 7.000 4.224 3.042 4.867 . 0 0 "[ . 1 . 2 . 3 . ]" 1
932 1 85 LEU HA 1 90 LEU H 3.000 . 3.500 3.278 2.989 3.595 0.095 10 0 "[ . 1 . 2 . 3 . ]" 1
933 1 85 LEU HG 1 91 ASP HA 4.000 . 5.000 3.500 2.690 4.968 . 0 0 "[ . 1 . 2 . 3 . ]" 1
934 1 85 LEU QD 1 91 ASP HA 3.000 . 5.300 2.717 2.071 3.256 . 0 0 "[ . 1 . 2 . 3 . ]" 1
935 1 85 LEU QD 1 91 ASP HB2 4.000 . 7.000 4.439 3.047 4.901 . 0 0 "[ . 1 . 2 . 3 . ]" 1
936 1 85 LEU QD 1 91 ASP HB3 4.000 . 7.000 4.323 3.848 4.659 . 0 0 "[ . 1 . 2 . 3 . ]" 1
937 1 85 LEU HG 1 91 ASP HB3 4.000 . 5.000 4.948 4.499 5.069 0.069 19 0 "[ . 1 . 2 . 3 . ]" 1
938 1 85 LEU HB3 1 91 ASP HA 4.000 . 5.000 2.796 2.124 3.802 . 0 0 "[ . 1 . 2 . 3 . ]" 1
939 1 85 LEU HB2 1 91 ASP HA 4.000 . 5.000 4.144 3.258 5.070 0.070 37 0 "[ . 1 . 2 . 3 . ]" 1
940 1 85 LEU HB3 1 91 ASP H 5.000 . 6.000 2.987 1.851 3.890 . 0 0 "[ . 1 . 2 . 3 . ]" 1
941 1 85 LEU HA 1 91 ASP H 4.000 . 5.000 4.214 3.074 5.028 0.028 17 0 "[ . 1 . 2 . 3 . ]" 1
942 1 85 LEU QD 1 91 ASP H 4.000 . 7.000 2.790 1.653 3.570 0.147 2 0 "[ . 1 . 2 . 3 . ]" 1
943 1 86 ALA H 1 86 ALA MB 2.500 . 3.900 2.233 2.183 2.263 . 0 0 "[ . 1 . 2 . 3 . ]" 1
944 1 86 ALA MB 1 87 LYS HA 4.000 . 6.000 3.930 3.897 3.956 . 0 0 "[ . 1 . 2 . 3 . ]" 1
945 1 86 ALA HA 1 87 LYS H 4.000 . 5.000 3.423 3.409 3.438 . 0 0 "[ . 1 . 2 . 3 . ]" 1
946 1 86 ALA MB 1 87 LYS H 3.000 . 4.500 2.949 2.937 2.960 . 0 0 "[ . 1 . 2 . 3 . ]" 1
947 1 86 ALA H 1 87 LYS H 3.000 . 3.500 2.658 2.397 2.769 . 0 0 "[ . 1 . 2 . 3 . ]" 1
948 1 86 ALA MB 1 88 TYR H 4.000 . 6.000 4.871 4.775 4.987 . 0 0 "[ . 1 . 2 . 3 . ]" 1
949 1 86 ALA MB 1 89 GLY H 4.000 . 6.000 4.668 4.549 4.840 . 0 0 "[ . 1 . 2 . 3 . ]" 1
950 1 86 ALA HA 1 91 ASP HB3 4.000 . 5.000 5.010 4.771 5.096 0.096 10 0 "[ . 1 . 2 . 3 . ]" 1
951 1 87 LYS QE 1 88 TYR QE 4.000 . 8.400 4.739 2.729 5.842 . 0 0 "[ . 1 . 2 . 3 . ]" 1
952 1 87 LYS QD 1 88 TYR QE 4.000 . 8.400 3.618 2.683 4.707 . 0 0 "[ . 1 . 2 . 3 . ]" 1
953 1 87 LYS QG 1 88 TYR QE 4.000 . 8.400 4.857 4.194 5.207 . 0 0 "[ . 1 . 2 . 3 . ]" 1
954 1 87 LYS QD 1 88 TYR HA 5.000 . 7.000 5.223 4.426 5.980 . 0 0 "[ . 1 . 2 . 3 . ]" 1
955 1 87 LYS H 1 88 TYR H 2.500 . 2.900 2.469 2.384 2.670 . 0 0 "[ . 1 . 2 . 3 . ]" 1
956 1 87 LYS HB2 1 88 TYR H 3.000 . 3.500 3.515 3.497 3.572 0.072 24 0 "[ . 1 . 2 . 3 . ]" 1
957 1 87 LYS HA 1 88 TYR H 3.000 . 3.500 3.558 3.541 3.606 0.106 16 0 "[ . 1 . 2 . 3 . ]" 1
958 1 87 LYS HB3 1 88 TYR H 2.500 . 2.900 2.436 2.350 2.556 . 0 0 "[ . 1 . 2 . 3 . ]" 1
959 1 87 LYS HB3 1 89 GLY H 4.000 . 5.000 4.468 4.386 4.539 . 0 0 "[ . 1 . 2 . 3 . ]" 1
960 1 87 LYS HB2 1 89 GLY H 4.000 . 5.000 5.151 5.102 5.194 0.194 4 0 "[ . 1 . 2 . 3 . ]" 1
961 1 88 TYR HB3 1 88 TYR QD 3.000 . 5.700 2.435 2.362 2.527 . 0 0 "[ . 1 . 2 . 3 . ]" 1
962 1 88 TYR HB2 1 88 TYR QD 3.000 . 5.700 2.396 2.333 2.473 . 0 0 "[ . 1 . 2 . 3 . ]" 1
963 1 88 TYR HA 1 88 TYR QD 3.000 . 5.700 2.795 2.528 3.004 . 0 0 "[ . 1 . 2 . 3 . ]" 1
964 1 88 TYR HA 1 88 TYR QE 3.000 . 5.700 4.429 4.353 4.577 . 0 0 "[ . 1 . 2 . 3 . ]" 1
965 1 88 TYR H 1 89 GLY QA 4.000 . 6.000 4.254 4.133 4.363 . 0 0 "[ . 1 . 2 . 3 . ]" 1
966 1 88 TYR H 1 89 GLY H 2.500 . 2.900 2.229 2.120 2.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1
967 1 88 TYR HB3 1 89 GLY H 4.000 . 5.000 3.788 3.659 3.982 . 0 0 "[ . 1 . 2 . 3 . ]" 1
968 1 88 TYR HA 1 89 GLY H 4.000 . 5.000 3.403 3.371 3.440 . 0 0 "[ . 1 . 2 . 3 . ]" 1
969 1 88 TYR HB2 1 89 GLY H 4.000 . 5.000 3.003 2.896 3.159 . 0 0 "[ . 1 . 2 . 3 . ]" 1
970 1 88 TYR HA 1 90 LEU QB 5.000 . 7.000 5.211 4.658 5.604 . 0 0 "[ . 1 . 2 . 3 . ]" 1
971 1 88 TYR QD 1 90 LEU QD 5.000 . 10.400 4.312 3.299 5.029 . 0 0 "[ . 1 . 2 . 3 . ]" 1
972 1 88 TYR HB3 1 90 LEU QD 4.000 . 7.000 3.384 2.034 3.944 . 0 0 "[ . 1 . 2 . 3 . ]" 1
973 1 88 TYR HB2 1 90 LEU QD 4.000 . 7.000 3.556 2.127 4.243 . 0 0 "[ . 1 . 2 . 3 . ]" 1
974 1 88 TYR HB2 1 90 LEU HG 4.000 . 5.000 4.734 3.637 5.045 0.045 13 0 "[ . 1 . 2 . 3 . ]" 1
975 1 88 TYR HB3 1 90 LEU HG 4.000 . 5.000 4.507 3.540 5.126 0.126 24 0 "[ . 1 . 2 . 3 . ]" 1
976 1 88 TYR H 1 90 LEU H 4.000 . 5.000 3.893 3.692 3.953 . 0 0 "[ . 1 . 2 . 3 . ]" 1
977 1 88 TYR HA 1 90 LEU H 4.000 . 5.000 5.067 4.687 5.179 0.179 37 0 "[ . 1 . 2 . 3 . ]" 1
978 1 88 TYR QB 1 90 LEU H 4.000 . 6.000 3.238 2.945 3.365 . 0 0 "[ . 1 . 2 . 3 . ]" 1
979 1 89 GLY QA 1 90 LEU H 3.000 . 4.500 2.686 2.619 2.730 . 0 0 "[ . 1 . 2 . 3 . ]" 1
980 1 89 GLY H 1 90 LEU H 2.500 . 2.900 2.368 2.332 2.452 . 0 0 "[ . 1 . 2 . 3 . ]" 1
981 1 90 LEU HA 1 90 LEU QD 2.500 . 4.700 2.307 1.847 3.260 . 0 0 "[ . 1 . 2 . 3 . ]" 1
982 1 90 LEU H 1 90 LEU QD 2.500 . 4.900 3.702 2.896 3.867 . 0 0 "[ . 1 . 2 . 3 . ]" 1
983 1 90 LEU HA 1 91 ASP H 3.000 . 3.500 3.228 2.782 3.569 0.069 15 0 "[ . 1 . 2 . 3 . ]" 1
984 1 90 LEU QB 1 91 ASP H 4.000 . 6.000 3.337 1.752 4.016 0.048 12 0 "[ . 1 . 2 . 3 . ]" 1
985 1 90 LEU H 1 91 ASP H 2.500 . 2.900 2.300 2.011 2.903 0.003 12 0 "[ . 1 . 2 . 3 . ]" 1
986 1 91 ASP HA 1 92 GLY QA 4.000 . 6.000 4.265 3.989 4.525 . 0 0 "[ . 1 . 2 . 3 . ]" 1
987 1 91 ASP H 1 92 GLY H 3.000 . 3.500 3.084 2.028 3.755 0.255 10 0 "[ . 1 . 2 . 3 . ]" 1
988 1 96 ALA H 1 96 ALA MB 3.000 . 4.500 2.566 2.135 3.084 . 0 0 "[ . 1 . 2 . 3 . ]" 1
989 1 96 ALA HA 1 97 ARG H 3.000 . 3.500 2.783 2.190 3.575 0.075 2 0 "[ . 1 . 2 . 3 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 100
_Distance_constraint_stats_list.Viol_count 2335
_Distance_constraint_stats_list.Viol_total 6650.074
_Distance_constraint_stats_list.Viol_max 0.251
_Distance_constraint_stats_list.Viol_rms 0.0556
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0437
_Distance_constraint_stats_list.Viol_average_violations_only 0.0730
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 22 MET 1.303 0.109 11 0 "[ . 1 . 2 . 3 . ]"
1 23 GLU 0.833 0.051 24 0 "[ . 1 . 2 . 3 . ]"
1 24 LYS 0.277 0.042 16 0 "[ . 1 . 2 . 3 . ]"
1 25 LEU 6.001 0.175 16 0 "[ . 1 . 2 . 3 . ]"
1 26 ASN 1.370 0.109 11 0 "[ . 1 . 2 . 3 . ]"
1 27 GLN 2.508 0.100 17 0 "[ . 1 . 2 . 3 . ]"
1 28 LEU 0.315 0.042 16 0 "[ . 1 . 2 . 3 . ]"
1 29 TRP 11.225 0.187 8 0 "[ . 1 . 2 . 3 . ]"
1 30 GLU 0.599 0.098 16 0 "[ . 1 . 2 . 3 . ]"
1 31 LYS 4.130 0.118 36 0 "[ . 1 . 2 . 3 . ]"
1 32 ALA 5.285 0.169 24 0 "[ . 1 . 2 . 3 . ]"
1 33 GLN 5.224 0.187 8 0 "[ . 1 . 2 . 3 . ]"
1 34 ARG 0.532 0.098 16 0 "[ . 1 . 2 . 3 . ]"
1 35 LEU 2.455 0.118 36 0 "[ . 1 . 2 . 3 . ]"
1 36 HIS 5.248 0.169 24 0 "[ . 1 . 2 . 3 . ]"
1 38 PRO 6.765 0.173 39 0 "[ . 1 . 2 . 3 . ]"
1 39 PRO 8.947 0.251 24 0 "[ . 1 . 2 . 3 . ]"
1 40 VAL 9.229 0.229 16 0 "[ . 1 . 2 . 3 . ]"
1 41 ARG 2.723 0.102 17 0 "[ . 1 . 2 . 3 . ]"
1 42 LEU 11.502 0.173 39 0 "[ . 1 . 2 . 3 . ]"
1 43 ALA 17.149 0.251 24 0 "[ . 1 . 2 . 3 . ]"
1 44 GLU 9.336 0.229 16 0 "[ . 1 . 2 . 3 . ]"
1 45 LEU 4.397 0.112 17 0 "[ . 1 . 2 . 3 . ]"
1 46 HIS 5.029 0.140 9 0 "[ . 1 . 2 . 3 . ]"
1 47 ALA 8.423 0.183 24 0 "[ . 1 . 2 . 3 . ]"
1 48 ASP 0.934 0.045 30 0 "[ . 1 . 2 . 3 . ]"
1 49 LEU 4.456 0.112 17 0 "[ . 1 . 2 . 3 . ]"
1 50 LYS 2.319 0.075 26 0 "[ . 1 . 2 . 3 . ]"
1 51 ILE 9.459 0.214 33 0 "[ . 1 . 2 . 3 . ]"
1 52 GLN 9.335 0.175 29 0 "[ . 1 . 2 . 3 . ]"
1 53 GLU 7.787 0.108 6 0 "[ . 1 . 2 . 3 . ]"
1 54 ARG 5.888 0.148 27 0 "[ . 1 . 2 . 3 . ]"
1 55 ASP 16.261 0.240 16 0 "[ . 1 . 2 . 3 . ]"
1 56 GLU 11.036 0.175 29 0 "[ . 1 . 2 . 3 . ]"
1 57 LEU 5.640 0.108 6 0 "[ . 1 . 2 . 3 . ]"
1 58 ALA 7.595 0.163 27 0 "[ . 1 . 2 . 3 . ]"
1 59 TRP 7.948 0.240 16 0 "[ . 1 . 2 . 3 . ]"
1 60 LYS 6.820 0.175 16 0 "[ . 1 . 2 . 3 . ]"
1 61 LYS 3.784 0.134 38 0 "[ . 1 . 2 . 3 . ]"
1 62 LEU 3.734 0.163 27 0 "[ . 1 . 2 . 3 . ]"
1 63 LYS 0.924 0.066 27 0 "[ . 1 . 2 . 3 . ]"
1 64 LEU 4.291 0.175 16 0 "[ . 1 . 2 . 3 . ]"
1 65 ASP 3.149 0.134 38 0 "[ . 1 . 2 . 3 . ]"
1 71 GLY 0.459 0.038 14 0 "[ . 1 . 2 . 3 . ]"
1 72 GLU 0.608 0.092 24 0 "[ . 1 . 2 . 3 . ]"
1 73 LYS 8.391 0.201 12 0 "[ . 1 . 2 . 3 . ]"
1 74 GLU 12.296 0.217 5 0 "[ . 1 . 2 . 3 . ]"
1 75 ALA 3.756 0.100 20 0 "[ . 1 . 2 . 3 . ]"
1 76 ARG 1.315 0.092 24 0 "[ . 1 . 2 . 3 . ]"
1 77 LEU 9.413 0.201 12 0 "[ . 1 . 2 . 3 . ]"
1 78 ILE 18.244 0.217 5 0 "[ . 1 . 2 . 3 . ]"
1 79 ARG 3.611 0.100 20 0 "[ . 1 . 2 . 3 . ]"
1 80 ASN 2.823 0.106 13 0 "[ . 1 . 2 . 3 . ]"
1 81 LEU 2.880 0.099 4 0 "[ . 1 . 2 . 3 . ]"
1 82 ASN 7.477 0.134 4 0 "[ . 1 . 2 . 3 . ]"
1 83 VAL 3.833 0.177 16 0 "[ . 1 . 2 . 3 . ]"
1 84 ILE 5.316 0.149 13 0 "[ . 1 . 2 . 3 . ]"
1 85 LEU 6.027 0.130 37 0 "[ . 1 . 2 . 3 . ]"
1 86 ALA 1.529 0.074 32 0 "[ . 1 . 2 . 3 . ]"
1 87 LYS 3.519 0.177 16 0 "[ . 1 . 2 . 3 . ]"
1 88 TYR 3.200 0.149 13 0 "[ . 1 . 2 . 3 . ]"
1 89 GLY 4.169 0.130 37 0 "[ . 1 . 2 . 3 . ]"
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 22 MET O 1 26 ASN H 1.900 . 2.000 2.012 1.872 2.109 0.109 11 0 "[ . 1 . 2 . 3 . ]" 2
2 1 22 MET O 1 26 ASN N 2.850 2.700 3.000 2.969 2.835 3.029 0.029 5 0 "[ . 1 . 2 . 3 . ]" 2
3 1 23 GLU O 1 27 GLN H 1.900 . 2.000 1.809 1.749 1.945 0.051 24 0 "[ . 1 . 2 . 3 . ]" 2
4 1 23 GLU O 1 27 GLN N 2.850 2.700 3.000 2.728 2.651 2.882 0.049 36 0 "[ . 1 . 2 . 3 . ]" 2
5 1 24 LYS O 1 28 LEU H 1.900 . 2.000 1.892 1.784 2.042 0.042 16 0 "[ . 1 . 2 . 3 . ]" 2
6 1 24 LYS O 1 28 LEU N 2.850 2.700 3.000 2.859 2.764 3.018 0.018 8 0 "[ . 1 . 2 . 3 . ]" 2
7 1 25 LEU O 1 29 TRP H 1.900 . 2.000 1.718 1.660 2.009 0.140 4 0 "[ . 1 . 2 . 3 . ]" 2
8 1 25 LEU O 1 29 TRP N 2.850 2.700 3.000 2.647 2.525 2.780 0.175 16 0 "[ . 1 . 2 . 3 . ]" 2
9 1 26 ASN O 1 30 GLU H 1.900 . 2.000 1.897 1.762 1.955 0.038 17 0 "[ . 1 . 2 . 3 . ]" 2
10 1 26 ASN O 1 30 GLU N 2.850 2.700 3.000 2.809 2.703 2.858 . 0 0 "[ . 1 . 2 . 3 . ]" 2
11 1 27 GLN O 1 31 LYS H 1.900 . 2.000 2.038 1.979 2.100 0.100 17 0 "[ . 1 . 2 . 3 . ]" 2
12 1 27 GLN O 1 31 LYS N 2.850 2.700 3.000 2.964 2.824 3.025 0.025 7 0 "[ . 1 . 2 . 3 . ]" 2
13 1 28 LEU O 1 32 ALA H 1.900 . 2.000 1.878 1.775 2.010 0.025 36 0 "[ . 1 . 2 . 3 . ]" 2
14 1 28 LEU O 1 32 ALA N 2.850 2.700 3.000 2.831 2.733 2.960 . 0 0 "[ . 1 . 2 . 3 . ]" 2
15 1 29 TRP O 1 33 GLN H 1.900 . 2.000 2.114 2.041 2.187 0.187 8 0 "[ . 1 . 2 . 3 . ]" 2
16 1 29 TRP O 1 33 GLN N 2.850 2.700 3.000 3.009 2.954 3.116 0.116 16 0 "[ . 1 . 2 . 3 . ]" 2
17 1 30 GLU O 1 34 ARG H 1.900 . 2.000 1.905 1.780 2.056 0.056 24 0 "[ . 1 . 2 . 3 . ]" 2
18 1 30 GLU O 1 34 ARG N 2.850 2.700 3.000 2.796 2.602 2.900 0.098 16 0 "[ . 1 . 2 . 3 . ]" 2
19 1 31 LYS O 1 35 LEU H 1.900 . 2.000 2.059 1.927 2.118 0.118 36 0 "[ . 1 . 2 . 3 . ]" 2
20 1 31 LYS O 1 35 LEU N 2.850 2.700 3.000 2.879 2.783 2.923 . 0 0 "[ . 1 . 2 . 3 . ]" 2
21 1 32 ALA O 1 36 HIS H 1.900 . 2.000 2.109 2.076 2.169 0.169 24 0 "[ . 1 . 2 . 3 . ]" 2
22 1 32 ALA O 1 36 HIS N 2.850 2.700 3.000 2.762 2.597 2.875 0.103 33 0 "[ . 1 . 2 . 3 . ]" 2
23 1 38 PRO O 1 42 LEU H 1.900 . 2.000 1.784 1.735 1.848 0.065 27 0 "[ . 1 . 2 . 3 . ]" 2
24 1 38 PRO O 1 42 LEU N 2.850 2.700 3.000 2.547 2.527 2.583 0.173 39 0 "[ . 1 . 2 . 3 . ]" 2
25 1 39 PRO O 1 43 ALA H 1.900 . 2.000 1.782 1.750 1.828 0.050 7 0 "[ . 1 . 2 . 3 . ]" 2
26 1 39 PRO O 1 43 ALA N 2.850 2.700 3.000 2.490 2.449 2.534 0.251 24 0 "[ . 1 . 2 . 3 . ]" 2
27 1 40 VAL O 1 44 GLU H 1.900 . 2.000 2.177 2.152 2.229 0.229 16 0 "[ . 1 . 2 . 3 . ]" 2
28 1 40 VAL O 1 44 GLU N 2.850 2.700 3.000 3.059 3.008 3.097 0.097 37 0 "[ . 1 . 2 . 3 . ]" 2
29 1 41 ARG O 1 45 LEU H 1.900 . 2.000 2.049 1.996 2.102 0.102 17 0 "[ . 1 . 2 . 3 . ]" 2
30 1 41 ARG O 1 45 LEU N 2.850 2.700 3.000 3.014 2.957 3.076 0.076 24 0 "[ . 1 . 2 . 3 . ]" 2
31 1 42 LEU O 1 46 HIS H 1.900 . 2.000 1.814 1.776 1.922 0.024 37 0 "[ . 1 . 2 . 3 . ]" 2
32 1 42 LEU O 1 46 HIS N 2.850 2.700 3.000 2.583 2.560 2.648 0.140 9 0 "[ . 1 . 2 . 3 . ]" 2
33 1 43 ALA O 1 47 ALA H 1.900 . 2.000 1.729 1.701 1.763 0.099 1 0 "[ . 1 . 2 . 3 . ]" 2
34 1 43 ALA O 1 47 ALA N 2.850 2.700 3.000 2.561 2.517 2.591 0.183 24 0 "[ . 1 . 2 . 3 . ]" 2
35 1 44 GLU O 1 48 ASP H 1.900 . 2.000 1.955 1.855 2.019 0.019 24 0 "[ . 1 . 2 . 3 . ]" 2
36 1 44 GLU O 1 48 ASP N 2.850 2.700 3.000 2.904 2.808 2.989 . 0 0 "[ . 1 . 2 . 3 . ]" 2
37 1 45 LEU O 1 49 LEU H 1.900 . 2.000 1.958 1.688 2.061 0.112 17 0 "[ . 1 . 2 . 3 . ]" 2
38 1 45 LEU O 1 49 LEU N 2.850 2.700 3.000 2.839 2.648 2.916 0.052 16 0 "[ . 1 . 2 . 3 . ]" 2
39 1 46 HIS O 1 50 LYS H 1.900 . 2.000 1.920 1.843 2.067 0.067 27 0 "[ . 1 . 2 . 3 . ]" 2
40 1 46 HIS O 1 50 LYS N 2.850 2.700 3.000 2.768 2.698 2.903 0.002 25 0 "[ . 1 . 2 . 3 . ]" 2
41 1 47 ALA O 1 51 ILE H 1.900 . 2.000 1.857 1.769 1.967 0.031 20 0 "[ . 1 . 2 . 3 . ]" 2
42 1 47 ALA O 1 51 ILE N 2.850 2.700 3.000 2.813 2.722 2.926 . 0 0 "[ . 1 . 2 . 3 . ]" 2
43 1 48 ASP O 1 52 GLN H 1.900 . 2.000 1.785 1.755 1.879 0.045 30 0 "[ . 1 . 2 . 3 . ]" 2
44 1 48 ASP O 1 52 GLN N 2.850 2.700 3.000 2.723 2.693 2.808 0.007 9 0 "[ . 1 . 2 . 3 . ]" 2
45 1 49 LEU O 1 53 GLU H 1.900 . 2.000 2.033 1.920 2.071 0.071 2 0 "[ . 1 . 2 . 3 . ]" 2
46 1 49 LEU O 1 53 GLU N 2.850 2.700 3.000 2.664 2.606 2.686 0.094 17 0 "[ . 1 . 2 . 3 . ]" 2
47 1 50 LYS O 1 54 ARG H 1.900 . 2.000 1.816 1.753 1.876 0.047 28 0 "[ . 1 . 2 . 3 . ]" 2
48 1 50 LYS O 1 54 ARG N 2.850 2.700 3.000 2.654 2.625 2.684 0.075 26 0 "[ . 1 . 2 . 3 . ]" 2
49 1 51 ILE O 1 55 ASP H 1.900 . 2.000 2.160 2.098 2.214 0.214 33 0 "[ . 1 . 2 . 3 . ]" 2
50 1 51 ILE O 1 55 ASP N 2.850 2.700 3.000 3.077 3.028 3.124 0.124 33 0 "[ . 1 . 2 . 3 . ]" 2
51 1 52 GLN O 1 56 GLU H 1.900 . 2.000 1.719 1.659 1.832 0.141 17 0 "[ . 1 . 2 . 3 . ]" 2
52 1 52 GLN O 1 56 GLU N 2.850 2.700 3.000 2.564 2.525 2.602 0.175 29 0 "[ . 1 . 2 . 3 . ]" 2
53 1 53 GLU O 1 57 LEU H 1.900 . 2.000 1.719 1.692 1.767 0.108 6 0 "[ . 1 . 2 . 3 . ]" 2
54 1 53 GLU O 1 57 LEU N 2.850 2.700 3.000 2.653 2.637 2.672 0.063 26 0 "[ . 1 . 2 . 3 . ]" 2
55 1 54 ARG O 1 58 ALA H 1.900 . 2.000 2.099 2.000 2.148 0.148 27 0 "[ . 1 . 2 . 3 . ]" 2
56 1 54 ARG O 1 58 ALA N 2.850 2.700 3.000 2.954 2.912 3.006 0.006 26 0 "[ . 1 . 2 . 3 . ]" 2
57 1 55 ASP O 1 59 TRP H 1.900 . 2.000 2.180 2.119 2.240 0.240 16 0 "[ . 1 . 2 . 3 . ]" 2
58 1 55 ASP O 1 59 TRP N 2.850 2.700 3.000 2.776 2.688 2.894 0.012 27 0 "[ . 1 . 2 . 3 . ]" 2
59 1 56 GLU O 1 60 LYS H 1.900 . 2.000 1.751 1.697 1.790 0.103 16 0 "[ . 1 . 2 . 3 . ]" 2
60 1 56 GLU O 1 60 LYS N 2.850 2.700 3.000 2.689 2.625 2.728 0.075 27 0 "[ . 1 . 2 . 3 . ]" 2
61 1 57 LEU O 1 61 LYS H 1.900 . 2.000 1.973 1.892 2.091 0.091 16 0 "[ . 1 . 2 . 3 . ]" 2
62 1 57 LEU O 1 61 LYS N 2.850 2.700 3.000 2.912 2.827 3.002 0.002 32 0 "[ . 1 . 2 . 3 . ]" 2
63 1 58 ALA O 1 62 LEU H 1.900 . 2.000 2.096 2.002 2.163 0.163 27 0 "[ . 1 . 2 . 3 . ]" 2
64 1 58 ALA O 1 62 LEU N 2.850 2.700 3.000 2.844 2.735 2.978 . 0 0 "[ . 1 . 2 . 3 . ]" 2
65 1 59 TRP O 1 63 LYS H 1.900 . 2.000 2.020 1.962 2.066 0.066 27 0 "[ . 1 . 2 . 3 . ]" 2
66 1 59 TRP O 1 63 LYS N 2.850 2.700 3.000 2.855 2.824 2.883 . 0 0 "[ . 1 . 2 . 3 . ]" 2
67 1 60 LYS O 1 64 LEU H 1.900 . 2.000 2.109 2.066 2.175 0.175 16 0 "[ . 1 . 2 . 3 . ]" 2
68 1 60 LYS O 1 64 LEU N 2.850 2.700 3.000 2.949 2.915 3.025 0.025 16 0 "[ . 1 . 2 . 3 . ]" 2
69 1 61 LYS O 1 65 ASP H 1.900 . 2.000 1.755 1.666 2.061 0.134 38 0 "[ . 1 . 2 . 3 . ]" 2
70 1 61 LYS O 1 65 ASP N 2.850 2.700 3.000 2.714 2.631 2.930 0.069 4 0 "[ . 1 . 2 . 3 . ]" 2
71 1 71 GLY O 1 75 ALA H 1.900 . 2.000 1.910 1.819 2.037 0.037 36 0 "[ . 1 . 2 . 3 . ]" 2
72 1 71 GLY O 1 75 ALA N 2.850 2.700 3.000 2.736 2.662 2.872 0.038 14 0 "[ . 1 . 2 . 3 . ]" 2
73 1 72 GLU O 1 76 ARG H 1.900 . 2.000 1.920 1.814 1.997 . 0 0 "[ . 1 . 2 . 3 . ]" 2
74 1 72 GLU O 1 76 ARG N 2.850 2.700 3.000 2.699 2.608 2.759 0.092 24 0 "[ . 1 . 2 . 3 . ]" 2
75 1 73 LYS O 1 77 LEU H 1.900 . 2.000 2.151 2.118 2.201 0.201 12 0 "[ . 1 . 2 . 3 . ]" 2
76 1 73 LYS O 1 77 LEU N 2.850 2.700 3.000 3.064 2.979 3.106 0.106 10 0 "[ . 1 . 2 . 3 . ]" 2
77 1 74 GLU O 1 78 ILE H 1.900 . 2.000 1.611 1.583 1.662 0.217 5 0 "[ . 1 . 2 . 3 . ]" 2
78 1 74 GLU O 1 78 ILE N 2.850 2.700 3.000 2.574 2.553 2.624 0.147 5 0 "[ . 1 . 2 . 3 . ]" 2
79 1 75 ALA O 1 79 ARG H 1.900 . 2.000 1.719 1.700 1.745 0.100 20 0 "[ . 1 . 2 . 3 . ]" 2
80 1 75 ALA O 1 79 ARG N 2.850 2.700 3.000 2.705 2.681 2.735 0.019 20 0 "[ . 1 . 2 . 3 . ]" 2
81 1 76 ARG O 1 80 ASN H 1.900 . 2.000 1.931 1.763 2.039 0.039 31 0 "[ . 1 . 2 . 3 . ]" 2
82 1 76 ARG O 1 80 ASN N 2.850 2.700 3.000 2.722 2.651 2.887 0.049 26 0 "[ . 1 . 2 . 3 . ]" 2
83 1 77 LEU O 1 81 LEU H 1.900 . 2.000 1.954 1.868 2.010 0.010 30 0 "[ . 1 . 2 . 3 . ]" 2
84 1 77 LEU O 1 81 LEU N 2.850 2.700 3.000 2.674 2.633 2.707 0.067 26 0 "[ . 1 . 2 . 3 . ]" 2
85 1 78 ILE O 1 82 ASN H 1.900 . 2.000 1.688 1.666 1.725 0.134 4 0 "[ . 1 . 2 . 3 . ]" 2
86 1 78 ILE O 1 82 ASN N 2.850 2.700 3.000 2.659 2.634 2.692 0.066 4 0 "[ . 1 . 2 . 3 . ]" 2
87 1 79 ARG O 1 83 VAL H 1.900 . 2.000 1.864 1.756 2.005 0.044 17 0 "[ . 1 . 2 . 3 . ]" 2
88 1 79 ARG O 1 83 VAL N 2.850 2.700 3.000 2.828 2.719 2.957 . 0 0 "[ . 1 . 2 . 3 . ]" 2
89 1 80 ASN O 1 84 ILE H 1.900 . 2.000 2.051 1.896 2.106 0.106 13 0 "[ . 1 . 2 . 3 . ]" 2
90 1 80 ASN O 1 84 ILE N 2.850 2.700 3.000 2.958 2.817 3.010 0.010 32 0 "[ . 1 . 2 . 3 . ]" 2
91 1 81 LEU O 1 85 LEU H 1.900 . 2.000 1.755 1.701 1.824 0.099 4 0 "[ . 1 . 2 . 3 . ]" 2
92 1 81 LEU O 1 85 LEU N 2.850 2.700 3.000 2.726 2.679 2.785 0.021 4 0 "[ . 1 . 2 . 3 . ]" 2
93 1 82 ASN O 1 86 ALA H 1.900 . 2.000 1.765 1.726 1.830 0.074 32 0 "[ . 1 . 2 . 3 . ]" 2
94 1 82 ASN O 1 86 ALA N 2.850 2.700 3.000 2.716 2.664 2.791 0.036 13 0 "[ . 1 . 2 . 3 . ]" 2
95 1 83 VAL O 1 87 LYS H 1.900 . 2.000 1.921 1.858 2.000 0.000 13 0 "[ . 1 . 2 . 3 . ]" 2
96 1 83 VAL O 1 87 LYS N 2.850 2.700 3.000 2.610 2.523 2.641 0.177 16 0 "[ . 1 . 2 . 3 . ]" 2
97 1 84 ILE O 1 88 TYR H 1.900 . 2.000 2.079 2.016 2.149 0.149 13 0 "[ . 1 . 2 . 3 . ]" 2
98 1 84 ILE O 1 88 TYR N 2.850 2.700 3.000 2.992 2.948 3.026 0.026 19 0 "[ . 1 . 2 . 3 . ]" 2
99 1 85 LEU O 1 89 GLY H 1.900 . 2.000 1.759 1.670 1.865 0.130 37 0 "[ . 1 . 2 . 3 . ]" 2
100 1 85 LEU O 1 89 GLY N 2.850 2.700 3.000 2.641 2.607 2.744 0.093 37 0 "[ . 1 . 2 . 3 . ]" 2
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