NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610695 |
2n77   |
25796 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n77
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 1199
_Distance_constraint_stats_list.Viol_count 2157
_Distance_constraint_stats_list.Viol_total 4053.582
_Distance_constraint_stats_list.Viol_max 1.475
_Distance_constraint_stats_list.Viol_rms 0.0498
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.0940
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ASP 0.010 0.010 20 0 "[ . 1 . 2]"
1 4 THR 0.336 0.166 9 0 "[ . 1 . 2]"
1 5 ASP 0.324 0.166 9 0 "[ . 1 . 2]"
1 6 SER 5.734 0.270 9 0 "[ . 1 . 2]"
1 7 GLU 7.141 0.354 5 0 "[ . 1 . 2]"
1 8 GLU 9.933 0.270 9 0 "[ . 1 . 2]"
1 9 GLU 2.658 0.102 3 0 "[ . 1 . 2]"
1 10 ILE 5.360 0.230 17 0 "[ . 1 . 2]"
1 11 ARG 2.306 0.183 19 0 "[ . 1 . 2]"
1 12 GLU 0.352 0.061 1 0 "[ . 1 . 2]"
1 13 ALA 2.525 0.208 9 0 "[ . 1 . 2]"
1 14 PHE 5.160 0.243 18 0 "[ . 1 . 2]"
1 15 ARG 0.254 0.050 10 0 "[ . 1 . 2]"
1 16 VAL 5.792 0.238 10 0 "[ . 1 . 2]"
1 17 PHE 3.740 0.154 8 0 "[ . 1 . 2]"
1 18 ASP 3.029 0.157 14 0 "[ . 1 . 2]"
1 19 LYS 6.798 0.385 15 0 "[ . 1 . 2]"
1 20 ASP 5.749 0.385 15 0 "[ . 1 . 2]"
1 21 GLY 0.909 0.100 2 0 "[ . 1 . 2]"
1 22 ASN 0.039 0.039 7 0 "[ . 1 . 2]"
1 23 GLY 0.984 0.098 18 0 "[ . 1 . 2]"
1 24 TYR 6.540 0.214 13 0 "[ . 1 . 2]"
1 25 ILE 7.537 0.243 18 0 "[ . 1 . 2]"
1 26 SER 2.040 0.191 2 0 "[ . 1 . 2]"
1 27 ALA 2.588 0.228 4 0 "[ . 1 . 2]"
1 28 ALA 0.372 0.088 14 0 "[ . 1 . 2]"
1 29 GLU 7.432 0.278 1 0 "[ . 1 . 2]"
1 30 LEU 6.844 0.278 1 0 "[ . 1 . 2]"
1 31 ARG 8.259 0.342 12 0 "[ . 1 . 2]"
1 32 HIS 3.529 0.188 17 0 "[ . 1 . 2]"
1 33 VAL 1.403 0.151 9 0 "[ . 1 . 2]"
1 34 MET 6.581 0.342 12 0 "[ . 1 . 2]"
1 35 THR 31.957 1.475 3 20 [**+-****************]
1 36 ASN 0.372 0.054 6 0 "[ . 1 . 2]"
1 37 LEU 2.110 0.163 14 0 "[ . 1 . 2]"
1 38 GLY 0.641 0.094 4 0 "[ . 1 . 2]"
1 39 GLU 2.304 0.320 16 0 "[ . 1 . 2]"
1 40 LYS 4.367 0.424 16 0 "[ . 1 . 2]"
1 41 LEU 10.452 0.254 18 0 "[ . 1 . 2]"
1 42 THR 0.845 0.132 20 0 "[ . 1 . 2]"
1 43 ASP 0.172 0.047 6 0 "[ . 1 . 2]"
1 44 GLU 1.769 0.132 20 0 "[ . 1 . 2]"
1 45 GLU 4.673 0.233 11 0 "[ . 1 . 2]"
1 46 VAL 11.307 0.263 19 0 "[ . 1 . 2]"
1 47 ASP 3.762 0.172 6 0 "[ . 1 . 2]"
1 48 GLU 0.946 0.089 11 0 "[ . 1 . 2]"
1 49 MET 10.223 0.243 9 0 "[ . 1 . 2]"
1 50 ILE 13.224 0.391 19 0 "[ . 1 . 2]"
1 51 ARG 0.564 0.154 10 0 "[ . 1 . 2]"
1 52 GLU 0.147 0.053 9 0 "[ . 1 . 2]"
1 53 ALA 4.075 0.293 9 0 "[ . 1 . 2]"
1 54 ASP 5.645 0.228 4 0 "[ . 1 . 2]"
1 55 ILE 15.642 0.391 17 0 "[ . 1 . 2]"
1 56 ASP 1.482 0.237 2 0 "[ . 1 . 2]"
1 57 GLY 0.039 0.015 16 0 "[ . 1 . 2]"
1 58 ASP 3.825 0.391 17 0 "[ . 1 . 2]"
1 59 GLY 0.191 0.078 16 0 "[ . 1 . 2]"
1 60 GLN 3.638 0.191 2 0 "[ . 1 . 2]"
1 61 VAL 2.817 0.192 20 0 "[ . 1 . 2]"
1 62 ASN 3.664 0.214 13 0 "[ . 1 . 2]"
1 63 TYR 4.398 0.157 14 0 "[ . 1 . 2]"
1 64 GLU 0.865 0.115 4 0 "[ . 1 . 2]"
1 65 GLU 1.243 0.162 2 0 "[ . 1 . 2]"
1 66 PHE 9.100 0.293 9 0 "[ . 1 . 2]"
1 67 VAL 7.275 0.380 6 0 "[ . 1 . 2]"
1 68 GLN 3.652 0.290 2 0 "[ . 1 . 2]"
1 69 MET 7.439 0.243 9 0 "[ . 1 . 2]"
1 70 MET 6.753 0.380 6 0 "[ . 1 . 2]"
1 71 THR 1.750 0.354 5 0 "[ . 1 . 2]"
1 72 ALA 0.188 0.117 10 0 "[ . 1 . 2]"
1 73 LYS 1.714 0.223 4 0 "[ . 1 . 2]"
2 30 PHE 2.167 0.224 15 0 "[ . 1 . 2]"
2 31 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 ILE 10.805 0.238 10 0 "[ . 1 . 2]"
2 33 ASP 1.276 0.123 20 0 "[ . 1 . 2]"
2 34 MET 30.519 1.475 3 20 [**+-****************]
2 35 ASP 0.695 0.163 14 0 "[ . 1 . 2]"
2 36 ALA 0.017 0.016 15 0 "[ . 1 . 2]"
2 37 PRO 2.297 0.170 9 0 "[ . 1 . 2]"
2 38 GLU 1.630 0.286 3 0 "[ . 1 . 2]"
2 39 THR 1.504 0.159 3 0 "[ . 1 . 2]"
2 40 GLU 0.156 0.079 8 0 "[ . 1 . 2]"
2 41 ARG 2.638 0.286 3 0 "[ . 1 . 2]"
2 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 ALA 2.434 0.105 17 0 "[ . 1 . 2]"
2 44 VAL 0.261 0.131 18 0 "[ . 1 . 2]"
2 45 ALA 0.214 0.077 12 0 "[ . 1 . 2]"
2 46 ILE 1.334 0.110 1 0 "[ . 1 . 2]"
2 47 GLN 1.853 0.144 10 0 "[ . 1 . 2]"
2 48 SER 0.435 0.033 14 0 "[ . 1 . 2]"
2 49 GLN 0.708 0.097 4 0 "[ . 1 . 2]"
2 50 PHE 6.387 0.254 18 0 "[ . 1 . 2]"
2 51 ARG 1.616 0.298 6 0 "[ . 1 . 2]"
2 52 LYS 0.091 0.034 9 0 "[ . 1 . 2]"
2 53 PHE 1.773 0.239 19 0 "[ . 1 . 2]"
2 54 GLN 0.634 0.125 14 0 "[ . 1 . 2]"
2 55 LYS 0.591 0.103 7 0 "[ . 1 . 2]"
2 56 LYS 0.108 0.086 9 0 "[ . 1 . 2]"
2 57 LYS 0.426 0.086 13 0 "[ . 1 . 2]"
2 58 ALA 0.252 0.103 7 0 "[ . 1 . 2]"
2 59 GLY 0.022 0.022 16 0 "[ . 1 . 2]"
2 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ASP H 1 3 ASP HA 2.550 . 3.300 2.765 2.289 2.952 . 0 0 "[ . 1 . 2]" 1
2 1 3 ASP H 1 3 ASP QB 3.400 . 5.000 2.663 2.284 3.411 . 0 0 "[ . 1 . 2]" 1
3 1 4 THR H 1 5 ASP H 3.400 . 5.000 3.333 1.634 4.651 0.166 9 0 "[ . 1 . 2]" 1
4 1 4 THR H 1 4 THR HA 2.550 . 3.300 2.666 2.296 2.964 . 0 0 "[ . 1 . 2]" 1
5 1 4 THR H 1 4 THR MG 3.400 . 5.500 2.840 1.798 3.930 0.002 15 0 "[ . 1 . 2]" 1
6 1 3 ASP QB 1 4 THR H 3.400 . 5.000 3.135 1.790 4.034 0.010 20 0 "[ . 1 . 2]" 1
7 1 5 ASP H 1 5 ASP QB 2.550 . 3.300 2.674 2.385 3.244 . 0 0 "[ . 1 . 2]" 1
8 1 4 THR MG 1 5 ASP H 3.400 . 5.500 3.524 1.781 4.489 0.019 15 0 "[ . 1 . 2]" 1
9 1 5 ASP H 1 5 ASP HA 2.550 . 3.300 2.740 2.292 2.961 . 0 0 "[ . 1 . 2]" 1
10 1 5 ASP QB 1 6 SER H 3.400 . 5.000 3.315 2.143 3.923 . 0 0 "[ . 1 . 2]" 1
11 1 6 SER H 1 6 SER QB 2.550 . 3.300 2.441 2.383 2.551 . 0 0 "[ . 1 . 2]" 1
12 1 6 SER H 1 6 SER HA 2.550 . 3.300 2.895 2.863 2.910 . 0 0 "[ . 1 . 2]" 1
13 1 5 ASP H 1 6 SER H 3.400 . 5.000 4.280 3.879 4.539 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLU H 1 7 GLU HA 2.550 . 3.300 2.789 2.773 2.812 . 0 0 "[ . 1 . 2]" 1
15 1 6 SER HA 1 7 GLU H 2.550 . 3.300 3.331 3.313 3.360 0.060 3 0 "[ . 1 . 2]" 1
16 1 7 GLU H 1 8 GLU H 2.550 . 3.300 2.670 2.590 2.729 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLU H 1 7 GLU QB 2.550 . 3.300 2.357 2.244 2.474 . 0 0 "[ . 1 . 2]" 1
18 1 7 GLU QB 1 8 GLU H 2.550 . 3.300 2.803 2.544 3.466 0.166 13 0 "[ . 1 . 2]" 1
19 1 6 SER HA 1 8 GLU H 3.400 . 5.000 3.699 3.523 3.799 . 0 0 "[ . 1 . 2]" 1
20 1 7 GLU HA 1 8 GLU H 2.550 . 3.300 3.493 3.462 3.512 0.212 9 0 "[ . 1 . 2]" 1
21 1 8 GLU H 1 8 GLU HA 2.550 . 3.300 2.839 2.822 2.859 . 0 0 "[ . 1 . 2]" 1
22 1 6 SER HA 1 9 GLU H 3.400 . 5.000 2.962 2.858 3.027 . 0 0 "[ . 1 . 2]" 1
23 1 9 GLU H 1 9 GLU QG 3.400 . 5.000 3.550 2.223 4.044 . 0 0 "[ . 1 . 2]" 1
24 1 9 GLU H 1 9 GLU HA 2.300 . 2.800 2.823 2.814 2.850 0.050 2 0 "[ . 1 . 2]" 1
25 1 8 GLU HA 1 9 GLU H 3.400 . 5.000 3.530 3.504 3.549 . 0 0 "[ . 1 . 2]" 1
26 1 9 GLU H 1 9 GLU QB 2.550 . 3.300 2.281 2.244 2.384 . 0 0 "[ . 1 . 2]" 1
27 1 8 GLU QB 1 9 GLU H 3.400 . 5.000 3.443 3.235 3.577 . 0 0 "[ . 1 . 2]" 1
28 1 10 ILE H 1 10 ILE MD 3.400 . 5.500 3.757 3.323 3.976 . 0 0 "[ . 1 . 2]" 1
29 1 10 ILE H 1 10 ILE MG 2.550 . 3.800 3.737 3.700 3.764 . 0 0 "[ . 1 . 2]" 1
30 1 10 ILE H 1 10 ILE QG 2.550 . 3.300 2.320 2.114 2.584 . 0 0 "[ . 1 . 2]" 1
31 1 10 ILE H 1 10 ILE HA 2.300 . 2.800 2.842 2.829 2.866 0.066 8 0 "[ . 1 . 2]" 1
32 1 10 ILE H 1 11 ARG H 2.300 . 2.800 2.541 2.418 2.739 . 0 0 "[ . 1 . 2]" 1
33 1 9 GLU QB 1 10 ILE H 2.550 . 3.300 2.471 2.396 2.584 . 0 0 "[ . 1 . 2]" 1
34 1 10 ILE MG 1 11 ARG H 2.550 . 3.800 3.422 3.238 3.909 0.109 8 0 "[ . 1 . 2]" 1
35 1 11 ARG H 1 11 ARG QG 3.400 . 5.000 3.349 2.163 3.939 . 0 0 "[ . 1 . 2]" 1
36 1 11 ARG H 1 11 ARG QB 2.550 . 3.300 2.262 2.188 2.431 . 0 0 "[ . 1 . 2]" 1
37 1 11 ARG HE 1 11 ARG QG 3.400 . 5.000 2.312 2.257 2.435 . 0 0 "[ . 1 . 2]" 1
38 1 11 ARG QD 1 11 ARG HE 2.550 . 3.300 2.507 2.503 2.509 . 0 0 "[ . 1 . 2]" 1
39 1 12 GLU H 1 12 GLU QG 3.400 . 5.000 3.724 2.255 4.062 . 0 0 "[ . 1 . 2]" 1
40 1 12 GLU H 1 13 ALA H 2.550 . 3.300 2.702 2.641 2.729 . 0 0 "[ . 1 . 2]" 1
41 1 12 GLU H 1 12 GLU QB 2.300 . 2.800 2.278 2.250 2.391 . 0 0 "[ . 1 . 2]" 1
42 1 13 ALA H 1 15 ARG H 3.400 . 5.000 4.161 4.098 4.209 . 0 0 "[ . 1 . 2]" 1
43 1 13 ALA H 1 13 ALA MB 2.300 . 3.300 2.168 2.036 2.237 . 0 0 "[ . 1 . 2]" 1
44 1 12 GLU QB 1 13 ALA H 2.550 . 3.300 2.559 2.468 2.650 . 0 0 "[ . 1 . 2]" 1
45 1 12 GLU QG 1 13 ALA H 3.400 . 5.000 3.779 3.558 4.242 . 0 0 "[ . 1 . 2]" 1
46 1 13 ALA H 1 13 ALA HA 2.550 . 3.300 2.815 2.801 2.826 . 0 0 "[ . 1 . 2]" 1
47 1 13 ALA H 1 14 PHE H 2.550 . 2.800 2.695 2.648 2.728 . 0 0 "[ . 1 . 2]" 1
48 1 13 ALA MB 1 14 PHE H 2.550 . 3.800 2.712 2.644 2.873 . 0 0 "[ . 1 . 2]" 1
49 1 14 PHE H 1 14 PHE QB 2.550 . 3.300 2.295 2.230 2.344 . 0 0 "[ . 1 . 2]" 1
50 1 14 PHE H 1 14 PHE HA 2.550 . 3.300 2.892 2.863 2.909 . 0 0 "[ . 1 . 2]" 1
51 1 13 ALA HA 1 14 PHE H 3.400 . 5.000 3.538 3.525 3.555 . 0 0 "[ . 1 . 2]" 1
52 1 14 PHE H 1 14 PHE QD 2.550 . 3.300 2.547 2.375 2.959 . 0 0 "[ . 1 . 2]" 1
53 1 14 PHE H 1 15 ARG H 2.550 . 3.300 2.428 2.368 2.502 . 0 0 "[ . 1 . 2]" 1
54 1 15 ARG H 1 15 ARG QD 3.400 . 5.000 3.321 2.206 3.941 . 0 0 "[ . 1 . 2]" 1
55 1 14 PHE QB 1 15 ARG H 3.400 . 5.000 2.616 2.577 2.696 . 0 0 "[ . 1 . 2]" 1
56 1 15 ARG H 1 15 ARG QB 2.550 . 3.300 2.351 2.166 2.481 . 0 0 "[ . 1 . 2]" 1
57 1 14 PHE HA 1 15 ARG H 3.400 . 5.000 3.535 3.520 3.553 . 0 0 "[ . 1 . 2]" 1
58 1 15 ARG H 1 16 VAL H 2.550 . 3.300 2.845 2.765 2.998 . 0 0 "[ . 1 . 2]" 1
59 1 15 ARG QB 1 15 ARG HE 3.400 . 5.000 4.120 3.943 4.378 . 0 0 "[ . 1 . 2]" 1
60 1 15 ARG QD 1 15 ARG HE 2.550 . 3.300 2.362 2.239 2.508 . 0 0 "[ . 1 . 2]" 1
61 1 15 ARG HE 1 63 TYR QE 3.400 . 5.000 4.637 3.678 5.050 0.050 10 0 "[ . 1 . 2]" 1
62 1 15 ARG HA 1 16 VAL H 3.400 . 5.000 3.482 3.438 3.556 . 0 0 "[ . 1 . 2]" 1
63 1 13 ALA HA 1 16 VAL H 3.400 . 5.000 3.923 3.869 3.999 . 0 0 "[ . 1 . 2]" 1
64 1 16 VAL H 1 16 VAL QG 3.400 . 3.800 2.301 2.243 2.387 . 0 0 "[ . 1 . 2]" 1
65 1 16 VAL H 1 16 VAL HB 2.550 . 3.300 2.388 2.353 2.418 . 0 0 "[ . 1 . 2]" 1
66 1 15 ARG QB 1 16 VAL H 2.550 . 3.300 2.933 2.835 2.991 . 0 0 "[ . 1 . 2]" 1
67 1 16 VAL H 1 16 VAL HA 2.550 . 3.300 2.817 2.789 2.827 . 0 0 "[ . 1 . 2]" 1
68 1 14 PHE H 1 16 VAL H 3.400 . 5.000 3.995 3.873 4.231 . 0 0 "[ . 1 . 2]" 1
69 1 16 VAL QG 1 17 PHE H 3.400 . 5.500 3.123 1.900 3.216 . 0 0 "[ . 1 . 2]" 1
70 1 14 PHE HA 1 17 PHE H 3.400 . 5.000 3.335 3.213 3.525 . 0 0 "[ . 1 . 2]" 1
71 1 16 VAL HB 1 17 PHE H 3.400 . 5.000 2.768 2.652 3.934 . 0 0 "[ . 1 . 2]" 1
72 1 17 PHE H 1 17 PHE QB . . 3.300 2.572 2.514 2.615 . 0 0 "[ . 1 . 2]" 1
73 1 17 PHE H 1 18 ASP H 2.550 . 2.800 2.308 2.126 2.376 . 0 0 "[ . 1 . 2]" 1
74 1 18 ASP H 1 25 ILE MD 3.400 . 5.500 4.905 4.711 5.121 . 0 0 "[ . 1 . 2]" 1
75 1 18 ASP H 1 25 ILE MG 3.400 . 5.500 3.529 3.422 3.831 . 0 0 "[ . 1 . 2]" 1
76 1 17 PHE QB 1 18 ASP H 3.400 . 5.000 2.936 2.803 3.055 . 0 0 "[ . 1 . 2]" 1
77 1 16 VAL HA 1 18 ASP H 3.400 . 5.000 4.341 4.105 4.507 . 0 0 "[ . 1 . 2]" 1
78 1 17 PHE HA 1 18 ASP H 3.400 . 5.000 3.474 3.434 3.502 . 0 0 "[ . 1 . 2]" 1
79 1 18 ASP H 1 19 LYS H 3.400 . 5.000 3.859 3.625 4.294 . 0 0 "[ . 1 . 2]" 1
80 1 18 ASP H 1 19 LYS HA 3.400 . 5.000 4.909 4.861 5.010 0.010 18 0 "[ . 1 . 2]" 1
81 1 18 ASP H 1 18 ASP QB 2.300 . 2.800 2.422 2.326 2.853 0.053 8 0 "[ . 1 . 2]" 1
82 1 15 ARG HA 1 18 ASP H 2.550 . 3.300 2.992 2.796 3.110 . 0 0 "[ . 1 . 2]" 1
83 1 18 ASP QB 1 19 LYS H 3.400 . 5.000 4.027 3.885 4.068 . 0 0 "[ . 1 . 2]" 1
84 1 19 LYS H 1 20 ASP QB 3.400 . 5.000 4.434 3.936 4.807 . 0 0 "[ . 1 . 2]" 1
85 1 19 LYS H 1 19 LYS QG 2.550 . 3.300 2.131 1.739 3.663 0.363 4 0 "[ . 1 . 2]" 1
86 1 19 LYS H 1 19 LYS QB 2.550 . 3.300 2.510 2.084 2.938 . 0 0 "[ . 1 . 2]" 1
87 1 19 LYS H 1 19 LYS HA 2.550 . 3.300 2.871 2.834 2.950 . 0 0 "[ . 1 . 2]" 1
88 1 18 ASP HA 1 19 LYS H 2.300 . 2.800 2.409 2.205 2.584 . 0 0 "[ . 1 . 2]" 1
89 1 19 LYS H 1 20 ASP H 2.550 . 3.300 2.435 2.106 2.580 . 0 0 "[ . 1 . 2]" 1
90 1 19 LYS QG 1 20 ASP H 2.550 . 3.300 2.713 2.106 3.685 0.385 15 0 "[ . 1 . 2]" 1
91 1 19 LYS HA 1 20 ASP H 3.400 . 5.000 3.441 3.392 3.543 . 0 0 "[ . 1 . 2]" 1
92 1 18 ASP HA 1 20 ASP H 3.400 . 5.000 3.281 3.129 4.094 . 0 0 "[ . 1 . 2]" 1
93 1 20 ASP H 1 22 ASN H 3.400 . 5.000 4.056 3.637 4.395 . 0 0 "[ . 1 . 2]" 1
94 1 19 LYS QB 1 20 ASP H 2.550 . 3.300 3.437 2.182 3.670 0.370 7 0 "[ . 1 . 2]" 1
95 1 20 ASP H 1 20 ASP QB 2.550 . 3.300 2.385 2.228 2.847 . 0 0 "[ . 1 . 2]" 1
96 1 20 ASP H 1 20 ASP HA 2.550 . 3.300 2.885 2.815 2.954 . 0 0 "[ . 1 . 2]" 1
97 1 20 ASP H 1 21 GLY QA 3.400 . 5.000 4.302 4.051 4.570 . 0 0 "[ . 1 . 2]" 1
98 1 20 ASP H 1 21 GLY H 2.550 . 3.300 2.394 2.188 2.706 . 0 0 "[ . 1 . 2]" 1
99 1 19 LYS QB 1 21 GLY H 3.400 . 5.000 4.888 4.274 5.049 0.049 14 0 "[ . 1 . 2]" 1
100 1 20 ASP HA 1 21 GLY H 3.400 . 5.000 3.455 3.156 3.490 . 0 0 "[ . 1 . 2]" 1
101 1 21 GLY H 1 23 GLY H 3.400 . 5.000 3.988 3.829 4.546 . 0 0 "[ . 1 . 2]" 1
102 1 20 ASP QB 1 21 GLY H 3.400 . 5.000 3.010 2.807 3.873 . 0 0 "[ . 1 . 2]" 1
103 1 21 GLY H 1 21 GLY QA 2.550 . 3.300 2.213 2.205 2.229 . 0 0 "[ . 1 . 2]" 1
104 1 21 GLY H 1 22 ASN H 2.550 . 3.300 2.559 2.485 2.926 . 0 0 "[ . 1 . 2]" 1
105 1 19 LYS H 1 21 GLY H 3.400 . 5.000 3.994 3.427 4.140 . 0 0 "[ . 1 . 2]" 1
106 1 19 LYS HA 1 21 GLY H 3.400 . 5.000 3.961 3.761 4.140 . 0 0 "[ . 1 . 2]" 1
107 1 21 GLY QA 1 22 ASN H 3.400 . 5.000 2.808 2.698 2.888 . 0 0 "[ . 1 . 2]" 1
108 1 22 ASN H 1 24 TYR H 3.400 . 5.000 3.264 3.147 3.430 . 0 0 "[ . 1 . 2]" 1
109 1 22 ASN H 1 24 TYR QD 3.400 . 5.000 4.512 4.262 4.800 . 0 0 "[ . 1 . 2]" 1
110 1 22 ASN H 1 22 ASN QD 3.400 . 5.000 4.034 2.127 4.751 . 0 0 "[ . 1 . 2]" 1
111 1 22 ASN H 1 22 ASN QB 2.550 . 3.300 2.483 2.318 2.959 . 0 0 "[ . 1 . 2]" 1
112 1 22 ASN H 1 22 ASN HA 2.550 . 3.300 2.931 2.922 2.941 . 0 0 "[ . 1 . 2]" 1
113 1 22 ASN H 1 23 GLY H 2.550 . 3.300 2.324 2.249 2.392 . 0 0 "[ . 1 . 2]" 1
114 1 20 ASP QB 1 22 ASN QD 3.400 . 5.000 3.536 2.334 5.039 0.039 7 0 "[ . 1 . 2]" 1
115 1 22 ASN HA 1 23 GLY H 3.400 . 5.000 3.306 3.273 3.341 . 0 0 "[ . 1 . 2]" 1
116 1 23 GLY H 1 24 TYR QD 3.400 . 5.000 3.719 3.603 3.881 . 0 0 "[ . 1 . 2]" 1
117 1 23 GLY H 1 24 TYR QB 3.400 . 5.000 4.785 4.673 4.867 . 0 0 "[ . 1 . 2]" 1
118 1 23 GLY H 1 23 GLY QA 2.550 . 3.300 2.280 2.269 2.296 . 0 0 "[ . 1 . 2]" 1
119 1 23 GLY H 1 24 TYR H 2.550 . 3.300 2.317 2.221 2.452 . 0 0 "[ . 1 . 2]" 1
120 1 23 GLY QA 1 24 TYR H 3.400 . 5.000 2.912 2.891 2.950 . 0 0 "[ . 1 . 2]" 1
121 1 24 TYR H 1 24 TYR QD 2.550 . 3.300 2.378 2.112 2.507 . 0 0 "[ . 1 . 2]" 1
122 1 24 TYR H 1 24 TYR QB 2.550 . 3.300 2.729 2.612 2.795 . 0 0 "[ . 1 . 2]" 1
123 1 25 ILE H 1 62 ASN HA 3.400 . 5.000 3.465 3.306 3.691 . 0 0 "[ . 1 . 2]" 1
124 1 25 ILE H 1 61 VAL HB 3.400 . 5.000 3.738 3.434 4.101 . 0 0 "[ . 1 . 2]" 1
125 1 25 ILE H 1 25 ILE HB 3.400 . 5.000 3.876 3.851 3.894 . 0 0 "[ . 1 . 2]" 1
126 1 25 ILE H 1 25 ILE QG 3.400 . 5.000 2.598 2.406 2.771 . 0 0 "[ . 1 . 2]" 1
127 1 25 ILE H 1 25 ILE MG 3.400 . 5.500 2.453 2.316 2.615 . 0 0 "[ . 1 . 2]" 1
128 1 25 ILE H 1 25 ILE MD 3.400 . 5.500 3.895 3.811 3.983 . 0 0 "[ . 1 . 2]" 1
129 1 24 TYR QD 1 25 ILE H 3.400 . 5.000 4.012 3.946 4.119 . 0 0 "[ . 1 . 2]" 1
130 1 25 ILE H 1 61 VAL QG 3.400 . 5.500 3.745 3.590 3.839 . 0 0 "[ . 1 . 2]" 1
131 1 25 ILE H 1 61 VAL H 3.400 . 5.000 2.798 2.547 2.994 . 0 0 "[ . 1 . 2]" 1
132 1 24 TYR HA 1 25 ILE H 2.550 . 3.300 2.322 2.281 2.352 . 0 0 "[ . 1 . 2]" 1
133 1 24 TYR QB 1 25 ILE H 2.550 . 3.300 2.476 2.424 2.530 . 0 0 "[ . 1 . 2]" 1
134 1 24 TYR H 1 25 ILE H 3.900 . 6.000 4.468 4.429 4.508 . 0 0 "[ . 1 . 2]" 1
135 1 25 ILE H 1 26 SER H 3.900 . 6.000 4.396 4.376 4.417 . 0 0 "[ . 1 . 2]" 1
136 1 25 ILE QG 1 26 SER H 3.400 . 5.000 3.236 3.061 3.442 . 0 0 "[ . 1 . 2]" 1
137 1 25 ILE MG 1 26 SER H 3.400 . 5.500 4.280 4.215 4.339 . 0 0 "[ . 1 . 2]" 1
138 1 25 ILE HA 1 26 SER H 2.550 . 3.300 2.319 2.277 2.367 . 0 0 "[ . 1 . 2]" 1
139 1 26 SER H 1 26 SER QB . . 3.300 2.369 2.256 2.463 . 0 0 "[ . 1 . 2]" 1
140 1 25 ILE HB 1 26 SER H 2.550 . 3.300 3.161 3.003 3.305 0.005 18 0 "[ . 1 . 2]" 1
141 1 27 ALA H 1 61 VAL QG 3.400 . 5.500 3.485 3.233 3.680 . 0 0 "[ . 1 . 2]" 1
142 1 26 SER QB 1 27 ALA H 3.400 . 5.000 3.405 3.024 3.773 . 0 0 "[ . 1 . 2]" 1
143 1 27 ALA H 1 27 ALA MB 2.550 . 3.800 2.132 2.051 2.193 . 0 0 "[ . 1 . 2]" 1
144 1 27 ALA H 1 28 ALA H . . 3.300 2.672 2.604 3.043 . 0 0 "[ . 1 . 2]" 1
145 1 27 ALA HA 1 28 ALA H 3.400 . 5.000 3.517 3.491 3.539 . 0 0 "[ . 1 . 2]" 1
146 1 26 SER QB 1 28 ALA H 3.400 . 5.000 3.315 2.838 3.939 . 0 0 "[ . 1 . 2]" 1
147 1 28 ALA H 1 29 GLU H 3.400 . 5.000 2.819 2.588 2.958 . 0 0 "[ . 1 . 2]" 1
148 1 27 ALA MB 1 28 ALA H 2.550 . 3.300 2.642 2.537 2.981 . 0 0 "[ . 1 . 2]" 1
149 1 28 ALA H 1 28 ALA MB 2.550 . 3.800 2.153 2.022 2.234 . 0 0 "[ . 1 . 2]" 1
150 1 26 SER HA 1 28 ALA H 3.400 . 5.000 3.952 3.593 4.081 . 0 0 "[ . 1 . 2]" 1
151 1 28 ALA H 1 30 LEU H 3.400 . 5.000 4.098 3.819 4.206 . 0 0 "[ . 1 . 2]" 1
152 1 26 SER QB 1 29 GLU H 3.400 . 5.000 2.749 2.499 2.971 . 0 0 "[ . 1 . 2]" 1
153 1 26 SER H 1 29 GLU H 3.400 . 5.000 4.948 4.773 5.064 0.064 12 0 "[ . 1 . 2]" 1
154 1 27 ALA MB 1 29 GLU H 3.400 . 5.000 4.656 4.552 4.866 . 0 0 "[ . 1 . 2]" 1
155 1 28 ALA MB 1 29 GLU H 2.550 . 3.800 2.590 2.468 2.705 . 0 0 "[ . 1 . 2]" 1
156 1 29 GLU H 1 29 GLU QB 2.550 . 3.300 2.260 2.138 2.403 . 0 0 "[ . 1 . 2]" 1
157 1 28 ALA HA 1 29 GLU H 3.400 . 5.000 3.567 3.524 3.619 . 0 0 "[ . 1 . 2]" 1
158 1 29 GLU H 1 32 HIS H 3.400 . 5.000 5.084 5.024 5.160 0.160 15 0 "[ . 1 . 2]" 1
159 1 29 GLU H 1 30 LEU H 2.550 . 2.800 2.567 2.471 2.725 . 0 0 "[ . 1 . 2]" 1
160 1 27 ALA HA 1 29 GLU H 3.400 . 5.000 4.409 4.080 4.673 . 0 0 "[ . 1 . 2]" 1
161 1 30 LEU H 1 30 LEU QD 2.550 . 3.800 3.676 3.595 3.737 . 0 0 "[ . 1 . 2]" 1
162 1 28 ALA HA 1 30 LEU H 3.400 . 5.000 4.215 4.085 4.413 . 0 0 "[ . 1 . 2]" 1
163 1 30 LEU H 1 30 LEU QB 2.550 . 3.300 2.259 2.226 2.278 . 0 0 "[ . 1 . 2]" 1
164 1 29 GLU QB 1 30 LEU H 2.550 . 3.300 3.392 2.685 3.578 0.278 1 0 "[ . 1 . 2]" 1
165 1 30 LEU H 1 30 LEU HA 2.550 . 3.300 2.820 2.804 2.826 . 0 0 "[ . 1 . 2]" 1
166 1 29 GLU HA 1 30 LEU H 3.400 . 5.000 3.493 3.451 3.556 . 0 0 "[ . 1 . 2]" 1
167 1 28 ALA HA 1 31 ARG H 3.400 . 5.000 3.680 3.602 3.833 . 0 0 "[ . 1 . 2]" 1
168 1 31 ARG H 1 31 ARG QG 3.400 . 5.000 3.980 3.829 4.039 . 0 0 "[ . 1 . 2]" 1
169 1 31 ARG H 1 50 ILE MD 3.400 . 5.500 4.164 3.905 4.485 . 0 0 "[ . 1 . 2]" 1
170 1 31 ARG H 1 31 ARG QB 2.550 . 3.300 2.225 2.124 2.270 . 0 0 "[ . 1 . 2]" 1
171 1 31 ARG H 1 32 HIS H . . 3.300 2.882 2.835 2.919 . 0 0 "[ . 1 . 2]" 1
172 1 29 GLU H 1 31 ARG H 3.400 . 5.000 4.422 4.325 4.601 . 0 0 "[ . 1 . 2]" 1
173 1 30 LEU QB 1 31 ARG H 3.400 . 5.000 2.375 2.252 2.442 . 0 0 "[ . 1 . 2]" 1
174 1 31 ARG HE 1 46 VAL QG 3.400 . 5.500 3.670 1.791 5.321 0.009 3 0 "[ . 1 . 2]" 1
175 1 31 ARG HE 1 31 ARG QG 3.400 . 5.000 2.626 2.237 3.234 . 0 0 "[ . 1 . 2]" 1
176 1 31 ARG QB 1 31 ARG HE 3.400 . 5.000 3.161 2.226 4.412 . 0 0 "[ . 1 . 2]" 1
177 1 32 HIS H 1 33 VAL QG 3.400 . 5.500 4.197 4.099 4.273 . 0 0 "[ . 1 . 2]" 1
178 1 32 HIS H 1 32 HIS HA 2.550 . 3.300 2.814 2.801 2.830 . 0 0 "[ . 1 . 2]" 1
179 1 29 GLU HA 1 32 HIS H 3.400 . 5.000 3.471 3.359 3.684 . 0 0 "[ . 1 . 2]" 1
180 1 32 HIS H 1 32 HIS QB 2.550 . 3.300 2.223 2.188 2.256 . 0 0 "[ . 1 . 2]" 1
181 1 31 ARG QB 1 32 HIS H 2.550 . 3.300 2.440 2.336 2.689 . 0 0 "[ . 1 . 2]" 1
182 1 31 ARG QG 1 32 HIS H 3.400 . 5.000 3.472 2.624 3.951 . 0 0 "[ . 1 . 2]" 1
183 1 33 VAL H 1 33 VAL QG 2.550 . 3.800 2.234 2.183 2.334 . 0 0 "[ . 1 . 2]" 1
184 1 32 HIS QB 1 33 VAL H 2.550 . 3.300 2.435 2.387 2.516 . 0 0 "[ . 1 . 2]" 1
185 1 33 VAL H 1 33 VAL HA 2.550 . 3.300 2.809 2.800 2.815 . 0 0 "[ . 1 . 2]" 1
186 1 32 HIS HA 1 33 VAL H 3.400 . 5.000 3.530 3.513 3.548 . 0 0 "[ . 1 . 2]" 1
187 1 33 VAL H 1 37 LEU QD 3.400 . 5.500 4.684 4.361 5.069 . 0 0 "[ . 1 . 2]" 1
188 1 32 HIS H 1 33 VAL H 3.400 . 5.000 2.695 2.631 2.749 . 0 0 "[ . 1 . 2]" 1
189 1 30 LEU HA 1 33 VAL H 3.400 . 5.000 3.592 3.517 3.692 . 0 0 "[ . 1 . 2]" 1
190 1 33 VAL H 1 33 VAL HB 2.550 . 3.300 2.360 2.331 2.392 . 0 0 "[ . 1 . 2]" 1
191 1 30 LEU HG 1 34 MET H 3.400 . 5.000 4.037 3.785 4.358 . 0 0 "[ . 1 . 2]" 1
192 1 34 MET H 1 34 MET QB . . 3.300 2.179 2.136 2.224 . 0 0 "[ . 1 . 2]" 1
193 1 34 MET H 1 35 THR H 3.400 . 5.000 2.511 2.410 2.638 . 0 0 "[ . 1 . 2]" 1
194 1 31 ARG QD 1 34 MET H 3.400 . 5.000 4.972 4.341 5.342 0.342 12 0 "[ . 1 . 2]" 1
195 1 33 VAL HA 1 34 MET H 3.400 . 5.000 3.527 3.509 3.559 . 0 0 "[ . 1 . 2]" 1
196 1 31 ARG HA 1 34 MET H 3.400 . 5.000 3.621 3.463 3.870 . 0 0 "[ . 1 . 2]" 1
197 1 32 HIS HA 1 34 MET H 3.400 . 5.000 4.401 4.282 4.623 . 0 0 "[ . 1 . 2]" 1
198 1 33 VAL QG 1 34 MET H 2.550 . 3.800 3.163 3.087 3.238 . 0 0 "[ . 1 . 2]" 1
199 1 34 MET H 1 46 VAL QG 3.400 . 5.500 4.449 4.154 4.789 . 0 0 "[ . 1 . 2]" 1
200 1 33 VAL HB 1 34 MET H 2.550 . 3.300 2.695 2.627 2.811 . 0 0 "[ . 1 . 2]" 1
201 1 34 MET H 1 34 MET QG 3.400 . 5.000 3.602 3.515 3.652 . 0 0 "[ . 1 . 2]" 1
202 1 35 THR H 1 46 VAL QG 3.400 . 5.500 3.934 3.671 4.102 . 0 0 "[ . 1 . 2]" 1
203 1 34 MET QB 1 35 THR H 3.400 . 5.000 2.969 2.850 3.112 . 0 0 "[ . 1 . 2]" 1
204 1 34 MET QG 1 35 THR H 3.400 . 5.000 4.737 4.657 4.834 . 0 0 "[ . 1 . 2]" 1
205 1 33 VAL HA 1 35 THR H 3.400 . 5.000 4.238 4.087 4.347 . 0 0 "[ . 1 . 2]" 1
206 1 32 HIS HA 1 35 THR H 3.400 . 5.000 3.516 3.356 3.717 . 0 0 "[ . 1 . 2]" 1
207 1 34 MET HA 1 35 THR H 3.400 . 5.000 3.489 3.419 3.523 . 0 0 "[ . 1 . 2]" 1
208 1 35 THR H 1 35 THR MG 3.400 . 5.500 2.483 2.274 2.729 . 0 0 "[ . 1 . 2]" 1
209 1 35 THR H 1 36 ASN H . . 2.800 2.169 2.042 2.308 . 0 0 "[ . 1 . 2]" 1
210 1 33 VAL HA 1 36 ASN H 3.400 . 5.000 3.482 3.330 3.613 . 0 0 "[ . 1 . 2]" 1
211 1 35 THR HA 1 36 ASN H 3.400 . 5.000 3.437 3.370 3.475 . 0 0 "[ . 1 . 2]" 1
212 1 35 THR HB 1 36 ASN H 3.400 . 5.000 4.171 4.082 4.294 . 0 0 "[ . 1 . 2]" 1
213 1 36 ASN H 1 36 ASN QB 2.550 . 3.300 2.429 2.387 2.548 . 0 0 "[ . 1 . 2]" 1
214 1 36 ASN H 1 37 LEU HG 3.400 . 5.000 4.215 4.033 4.483 . 0 0 "[ . 1 . 2]" 1
215 1 35 THR MG 1 36 ASN H 3.400 . 5.500 4.014 3.936 4.073 . 0 0 "[ . 1 . 2]" 1
216 1 37 LEU H 1 37 LEU QD 2.550 . 3.800 3.260 3.102 3.377 . 0 0 "[ . 1 . 2]" 1
217 1 37 LEU H 1 37 LEU QB 2.550 . 3.300 2.494 2.374 2.602 . 0 0 "[ . 1 . 2]" 1
218 1 37 LEU H 1 37 LEU HA 2.550 . 3.300 2.945 2.911 2.968 . 0 0 "[ . 1 . 2]" 1
219 1 36 ASN H 1 37 LEU H 2.300 . 2.800 2.215 2.027 2.325 . 0 0 "[ . 1 . 2]" 1
220 1 33 VAL HA 1 37 LEU H 3.400 . 5.000 2.740 2.472 3.160 . 0 0 "[ . 1 . 2]" 1
221 1 38 GLY H 1 38 GLY QA 2.300 . 2.800 2.195 2.186 2.208 . 0 0 "[ . 1 . 2]" 1
222 1 37 LEU HA 1 38 GLY H 2.550 . 3.300 2.347 2.163 2.556 . 0 0 "[ . 1 . 2]" 1
223 1 37 LEU QB 1 38 GLY H . . 3.300 2.476 1.955 2.962 . 0 0 "[ . 1 . 2]" 1
224 1 38 GLY QA 1 39 GLU H 2.550 . 3.300 2.109 2.074 2.209 . 0 0 "[ . 1 . 2]" 1
225 1 39 GLU H 1 39 GLU QB . . 3.300 2.676 2.246 3.226 . 0 0 "[ . 1 . 2]" 1
226 1 39 GLU H 1 39 GLU QG 3.400 . 5.000 2.587 1.972 4.123 . 0 0 "[ . 1 . 2]" 1
227 1 39 GLU H 1 40 LYS H 3.400 . 5.000 3.476 2.413 4.523 . 0 0 "[ . 1 . 2]" 1
228 1 39 GLU QB 1 40 LYS H 3.400 . 5.000 3.512 2.361 4.004 . 0 0 "[ . 1 . 2]" 1
229 1 40 LYS H 1 41 LEU H 3.400 . 5.000 4.182 3.603 4.589 . 0 0 "[ . 1 . 2]" 1
230 1 39 GLU HA 1 40 LYS H 2.300 . 2.800 2.578 2.220 3.120 0.320 16 0 "[ . 1 . 2]" 1
231 1 40 LYS H 1 40 LYS HA 2.550 . 3.300 2.602 2.287 2.966 . 0 0 "[ . 1 . 2]" 1
232 1 40 LYS H 1 40 LYS QG 2.300 . 2.800 2.243 1.767 2.805 0.033 13 0 "[ . 1 . 2]" 1
233 1 40 LYS H 1 40 LYS QB 2.300 . 2.800 2.745 2.460 3.224 0.424 16 0 "[ . 1 . 2]" 1
234 1 34 MET QB 1 41 LEU H 3.400 . 5.000 3.915 3.778 4.128 . 0 0 "[ . 1 . 2]" 1
235 1 41 LEU H 1 41 LEU HG 3.400 . 5.000 4.133 3.921 4.254 . 0 0 "[ . 1 . 2]" 1
236 1 41 LEU H 1 41 LEU HA 2.550 . 3.300 2.926 2.898 2.939 . 0 0 "[ . 1 . 2]" 1
237 1 34 MET HA 1 41 LEU H 3.400 . 5.000 4.317 4.072 4.602 . 0 0 "[ . 1 . 2]" 1
238 1 40 LYS HA 1 41 LEU H 3.400 . 5.000 2.166 2.144 2.267 . 0 0 "[ . 1 . 2]" 1
239 1 41 LEU H 1 41 LEU QB 2.550 . 3.300 2.251 2.202 2.338 . 0 0 "[ . 1 . 2]" 1
240 1 41 LEU H 1 41 LEU QD 3.400 . 5.500 2.346 1.949 2.499 . 0 0 "[ . 1 . 2]" 1
241 1 40 LYS QB 1 41 LEU H 3.400 . 5.000 3.385 3.018 3.747 . 0 0 "[ . 1 . 2]" 1
242 1 41 LEU QD 1 42 THR H 3.400 . 5.500 2.531 2.366 2.914 . 0 0 "[ . 1 . 2]" 1
243 1 42 THR H 1 45 GLU QB 3.400 . 5.000 2.212 2.150 2.278 . 0 0 "[ . 1 . 2]" 1
244 1 42 THR H 1 42 THR HB 3.400 . 5.000 3.645 3.625 3.684 . 0 0 "[ . 1 . 2]" 1
245 1 42 THR H 1 45 GLU H 3.400 . 5.000 3.537 3.339 3.631 . 0 0 "[ . 1 . 2]" 1
246 1 42 THR H 1 42 THR MG 2.550 . 3.800 2.424 2.234 2.534 . 0 0 "[ . 1 . 2]" 1
247 1 41 LEU HA 1 42 THR H 2.300 . 2.800 2.378 2.327 2.421 . 0 0 "[ . 1 . 2]" 1
248 1 41 LEU QB 1 42 THR H 3.400 . 5.000 2.659 2.579 2.746 . 0 0 "[ . 1 . 2]" 1
249 1 43 ASP H 1 44 GLU QB 3.400 . 5.000 4.607 4.433 4.750 . 0 0 "[ . 1 . 2]" 1
250 1 43 ASP H 1 46 VAL QG 3.400 . 5.500 4.234 4.009 4.415 . 0 0 "[ . 1 . 2]" 1
251 1 42 THR H 1 43 ASP H 3.400 . 5.000 4.554 4.497 4.586 . 0 0 "[ . 1 . 2]" 1
252 1 43 ASP H 1 43 ASP QB 2.550 . 3.300 2.367 2.246 2.582 . 0 0 "[ . 1 . 2]" 1
253 1 42 THR MG 1 43 ASP H 3.400 . 5.500 3.774 3.735 3.808 . 0 0 "[ . 1 . 2]" 1
254 1 43 ASP H 1 43 ASP HA 2.550 . 3.300 2.800 2.785 2.816 . 0 0 "[ . 1 . 2]" 1
255 1 42 THR HB 1 43 ASP H 2.300 . 2.800 2.368 2.248 2.500 . 0 0 "[ . 1 . 2]" 1
256 1 42 THR HA 1 43 ASP H 2.300 . 2.800 2.486 2.428 2.582 . 0 0 "[ . 1 . 2]" 1
257 1 43 ASP H 1 44 GLU H 2.300 . 2.800 2.735 2.684 2.789 . 0 0 "[ . 1 . 2]" 1
258 1 42 THR MG 1 44 GLU H 3.400 . 5.500 4.478 4.398 4.525 . 0 0 "[ . 1 . 2]" 1
259 1 44 GLU H 1 45 GLU H 2.550 . 3.300 2.699 2.641 2.740 . 0 0 "[ . 1 . 2]" 1
260 1 42 THR HB 1 44 GLU H 2.550 . 3.300 3.075 2.966 3.302 0.002 10 0 "[ . 1 . 2]" 1
261 1 42 THR HA 1 44 GLU H 3.400 . 5.000 4.465 4.380 4.544 . 0 0 "[ . 1 . 2]" 1
262 1 42 THR H 1 44 GLU H 3.400 . 5.000 5.027 4.817 5.132 0.132 20 0 "[ . 1 . 2]" 1
263 1 44 GLU H 1 44 GLU HA 2.550 . 3.300 2.824 2.818 2.833 . 0 0 "[ . 1 . 2]" 1
264 1 43 ASP HA 1 44 GLU H 3.400 . 5.000 3.542 3.524 3.559 . 0 0 "[ . 1 . 2]" 1
265 1 43 ASP QB 1 44 GLU H 2.550 . 3.300 2.726 2.499 3.347 0.047 6 0 "[ . 1 . 2]" 1
266 1 44 GLU H 1 44 GLU QB 2.550 . 3.300 2.331 2.253 2.398 . 0 0 "[ . 1 . 2]" 1
267 1 44 GLU H 1 44 GLU QG 3.400 . 5.000 3.030 2.214 4.046 . 0 0 "[ . 1 . 2]" 1
268 1 42 THR MG 1 45 GLU H 3.400 . 5.500 4.252 4.134 4.364 . 0 0 "[ . 1 . 2]" 1
269 1 45 GLU H 1 46 VAL QG 3.400 . 5.500 4.157 4.045 4.258 . 0 0 "[ . 1 . 2]" 1
270 1 45 GLU H 1 45 GLU QG 2.550 . 3.300 2.746 2.344 3.427 0.127 10 0 "[ . 1 . 2]" 1
271 1 45 GLU H 1 45 GLU HA 2.300 . 2.800 2.857 2.847 2.868 0.068 9 0 "[ . 1 . 2]" 1
272 1 44 GLU HA 1 45 GLU H 3.400 . 5.000 3.551 3.531 3.567 . 0 0 "[ . 1 . 2]" 1
273 1 42 THR HB 1 45 GLU H 3.400 . 5.000 3.905 3.673 4.306 . 0 0 "[ . 1 . 2]" 1
274 1 45 GLU H 1 46 VAL H 2.300 . 2.800 2.555 2.488 2.618 . 0 0 "[ . 1 . 2]" 1
275 1 45 GLU H 1 45 GLU QB 2.300 . 2.800 2.288 2.220 2.364 . 0 0 "[ . 1 . 2]" 1
276 1 44 GLU QB 1 45 GLU H 3.400 . 5.000 2.565 2.510 2.628 . 0 0 "[ . 1 . 2]" 1
277 1 43 ASP H 1 45 GLU H 3.400 . 5.000 4.246 4.184 4.345 . 0 0 "[ . 1 . 2]" 1
278 1 42 THR HA 1 45 GLU H 3.400 . 5.000 4.648 4.531 4.745 . 0 0 "[ . 1 . 2]" 1
279 1 46 VAL H 1 46 VAL QG 2.550 . 3.800 2.384 2.227 2.472 . 0 0 "[ . 1 . 2]" 1
280 1 46 VAL H 1 46 VAL HB 2.300 . 2.800 2.395 2.313 2.483 . 0 0 "[ . 1 . 2]" 1
281 1 45 GLU QB 1 46 VAL H 3.400 . 5.000 2.574 2.485 2.651 . 0 0 "[ . 1 . 2]" 1
282 1 45 GLU HA 1 46 VAL H 3.400 . 5.000 3.539 3.508 3.561 . 0 0 "[ . 1 . 2]" 1
283 1 44 GLU HA 1 46 VAL H 3.400 . 5.000 4.559 4.394 4.713 . 0 0 "[ . 1 . 2]" 1
284 1 46 VAL QG 1 47 ASP H 2.550 . 3.800 3.114 3.014 3.191 . 0 0 "[ . 1 . 2]" 1
285 1 46 VAL HB 1 47 ASP H 3.400 . 5.000 2.586 2.489 2.649 . 0 0 "[ . 1 . 2]" 1
286 1 47 ASP H 1 47 ASP QB 2.550 . 3.300 2.324 2.242 2.413 . 0 0 "[ . 1 . 2]" 1
287 1 47 ASP H 1 47 ASP HA 2.550 . 3.300 2.784 2.726 2.818 . 0 0 "[ . 1 . 2]" 1
288 1 47 ASP H 1 48 GLU H 2.550 . 3.300 2.768 2.683 2.889 . 0 0 "[ . 1 . 2]" 1
289 1 46 VAL HA 1 47 ASP H 3.400 . 5.000 3.581 3.547 3.590 . 0 0 "[ . 1 . 2]" 1
290 1 44 GLU HA 1 47 ASP H 3.400 . 5.000 3.637 3.492 3.747 . 0 0 "[ . 1 . 2]" 1
291 1 45 GLU H 1 47 ASP H 3.400 . 5.000 4.106 4.019 4.195 . 0 0 "[ . 1 . 2]" 1
292 1 48 GLU H 1 48 GLU QB 2.300 . 2.800 2.317 2.249 2.422 . 0 0 "[ . 1 . 2]" 1
293 1 48 GLU H 1 48 GLU HA 2.550 . 3.300 2.833 2.823 2.852 . 0 0 "[ . 1 . 2]" 1
294 1 48 GLU H 1 49 MET H 2.550 . 3.300 2.571 2.507 2.605 . 0 0 "[ . 1 . 2]" 1
295 1 47 ASP QB 1 48 GLU H 2.550 . 3.300 2.562 2.437 2.651 . 0 0 "[ . 1 . 2]" 1
296 1 46 VAL HA 1 49 MET H 3.400 . 5.000 3.229 3.047 3.449 . 0 0 "[ . 1 . 2]" 1
297 1 49 MET H 1 49 MET QG 3.400 . 5.000 2.220 2.152 2.361 . 0 0 "[ . 1 . 2]" 1
298 1 49 MET H 1 49 MET QB 2.550 . 3.300 2.357 2.319 2.400 . 0 0 "[ . 1 . 2]" 1
299 1 48 GLU QB 1 49 MET H 2.550 . 3.300 2.597 2.495 2.737 . 0 0 "[ . 1 . 2]" 1
300 1 48 GLU HA 1 49 MET H 3.400 . 5.000 3.515 3.493 3.532 . 0 0 "[ . 1 . 2]" 1
301 1 49 MET H 1 51 ARG H 3.400 . 5.000 4.136 4.014 4.230 . 0 0 "[ . 1 . 2]" 1
302 1 49 MET H 1 50 ILE H 2.550 . 3.300 2.535 2.360 2.642 . 0 0 "[ . 1 . 2]" 1
303 1 46 VAL HA 1 50 ILE H 3.400 . 5.000 4.050 3.906 4.135 . 0 0 "[ . 1 . 2]" 1
304 1 47 ASP HA 1 50 ILE H 3.400 . 5.000 3.249 3.171 3.322 . 0 0 "[ . 1 . 2]" 1
305 1 48 GLU HA 1 50 ILE H 3.400 . 5.000 4.402 4.176 4.500 . 0 0 "[ . 1 . 2]" 1
306 1 50 ILE H 1 50 ILE MG 3.400 . 5.500 3.425 3.086 3.515 . 0 0 "[ . 1 . 2]" 1
307 1 50 ILE H 1 50 ILE QG 3.400 . 5.000 3.702 3.620 3.897 . 0 0 "[ . 1 . 2]" 1
308 1 49 MET QB 1 50 ILE H 2.550 . 3.300 2.578 2.511 2.783 . 0 0 "[ . 1 . 2]" 1
309 1 50 ILE H 1 50 ILE HB 2.550 . 3.300 2.076 2.040 2.104 . 0 0 "[ . 1 . 2]" 1
310 1 50 ILE H 1 51 ARG H . . 3.300 2.697 2.569 2.799 . 0 0 "[ . 1 . 2]" 1
311 1 51 ARG HE 1 51 ARG QG 3.400 . 5.000 2.574 2.257 3.229 . 0 0 "[ . 1 . 2]" 1
312 1 51 ARG QB 1 51 ARG HE 3.400 . 5.000 2.899 2.165 4.343 . 0 0 "[ . 1 . 2]" 1
313 1 51 ARG HA 1 51 ARG HE 3.400 . 5.000 4.201 2.097 5.154 0.154 10 0 "[ . 1 . 2]" 1
314 1 51 ARG H 1 51 ARG QG 3.400 . 5.000 3.023 2.257 4.057 . 0 0 "[ . 1 . 2]" 1
315 1 50 ILE MG 1 51 ARG H 2.550 . 3.800 2.578 2.196 2.807 . 0 0 "[ . 1 . 2]" 1
316 1 50 ILE HA 1 51 ARG H 3.400 . 5.000 3.530 3.497 3.572 . 0 0 "[ . 1 . 2]" 1
317 1 51 ARG QD 1 51 ARG HE 2.550 . 3.300 2.414 2.236 2.508 . 0 0 "[ . 1 . 2]" 1
318 1 51 ARG HA 1 52 GLU H 3.400 . 5.000 3.491 3.451 3.580 . 0 0 "[ . 1 . 2]" 1
319 1 52 GLU H 1 52 GLU QG 2.550 . 3.300 2.412 1.939 2.684 . 0 0 "[ . 1 . 2]" 1
320 1 52 GLU H 1 52 GLU QB 2.550 . 3.300 2.435 2.343 2.489 . 0 0 "[ . 1 . 2]" 1
321 1 50 ILE H 1 52 GLU H 3.400 . 5.000 4.171 3.967 4.836 . 0 0 "[ . 1 . 2]" 1
322 1 51 ARG QB 1 52 GLU H 2.550 . 3.300 2.683 1.962 2.914 . 0 0 "[ . 1 . 2]" 1
323 1 53 ALA H 1 53 ALA MB 2.550 . 3.300 2.191 2.027 2.316 . 0 0 "[ . 1 . 2]" 1
324 1 53 ALA H 1 53 ALA HA 2.550 . 3.300 2.896 2.825 2.930 . 0 0 "[ . 1 . 2]" 1
325 1 50 ILE HA 1 53 ALA H 3.400 . 5.000 3.204 2.924 3.641 . 0 0 "[ . 1 . 2]" 1
326 1 52 GLU QB 1 53 ALA H 3.400 . 5.000 3.260 3.000 3.437 . 0 0 "[ . 1 . 2]" 1
327 1 53 ALA H 1 54 ASP H 2.550 . 3.300 2.903 2.716 3.027 . 0 0 "[ . 1 . 2]" 1
328 1 52 GLU HA 1 53 ALA H 3.400 . 5.000 3.347 3.274 3.466 . 0 0 "[ . 1 . 2]" 1
329 1 53 ALA MB 1 54 ASP H 2.550 . 3.800 1.904 1.737 2.436 0.063 7 0 "[ . 1 . 2]" 1
330 1 54 ASP H 1 54 ASP QB 2.550 . 3.300 3.119 2.981 3.235 . 0 0 "[ . 1 . 2]" 1
331 1 53 ALA HA 1 54 ASP H 3.400 . 5.000 3.573 3.541 3.594 . 0 0 "[ . 1 . 2]" 1
332 1 51 ARG HA 1 54 ASP H 3.400 . 5.000 4.640 4.232 5.072 0.072 7 0 "[ . 1 . 2]" 1
333 1 54 ASP H 1 54 ASP HA 2.550 . 3.300 2.723 2.607 2.816 . 0 0 "[ . 1 . 2]" 1
334 1 54 ASP H 1 55 ILE H 3.400 . 5.000 3.535 3.277 3.773 . 0 0 "[ . 1 . 2]" 1
335 1 54 ASP QB 1 55 ILE H 3.400 . 5.000 1.817 1.752 1.974 0.048 8 0 "[ . 1 . 2]" 1
336 1 54 ASP HA 1 55 ILE H 2.550 . 3.300 3.433 3.304 3.471 0.171 16 0 "[ . 1 . 2]" 1
337 1 55 ILE H 1 55 ILE MG 2.550 . 3.800 3.916 3.680 4.022 0.222 2 0 "[ . 1 . 2]" 1
338 1 55 ILE H 1 56 ASP H 3.400 . 5.000 3.430 2.806 4.555 . 0 0 "[ . 1 . 2]" 1
339 1 55 ILE H 1 55 ILE QG 3.400 . 5.000 2.496 2.103 2.859 . 0 0 "[ . 1 . 2]" 1
340 1 55 ILE HB 1 56 ASP H 3.400 . 5.000 3.459 1.766 4.400 0.034 20 0 "[ . 1 . 2]" 1
341 1 56 ASP H 1 56 ASP QB 3.400 . 5.000 2.634 2.261 3.430 . 0 0 "[ . 1 . 2]" 1
342 1 56 ASP H 1 57 GLY H 3.400 . 5.000 2.947 2.540 3.695 . 0 0 "[ . 1 . 2]" 1
343 1 55 ILE MG 1 56 ASP H 3.400 . 5.500 3.224 1.723 4.135 0.077 6 0 "[ . 1 . 2]" 1
344 1 55 ILE HA 1 56 ASP H 2.550 . 3.300 2.889 2.352 3.537 0.237 2 0 "[ . 1 . 2]" 1
345 1 56 ASP H 1 57 GLY QA 3.400 . 5.000 4.630 4.419 4.948 . 0 0 "[ . 1 . 2]" 1
346 1 55 ILE MD 1 56 ASP H 3.400 . 5.500 4.768 3.468 5.616 0.116 15 0 "[ . 1 . 2]" 1
347 1 56 ASP QB 1 57 GLY H 3.400 . 5.000 3.110 2.426 4.033 . 0 0 "[ . 1 . 2]" 1
348 1 57 GLY H 1 57 GLY QA 2.550 . 3.300 2.412 2.203 2.510 . 0 0 "[ . 1 . 2]" 1
349 1 56 ASP HA 1 57 GLY H 3.400 . 5.000 3.199 2.419 3.528 . 0 0 "[ . 1 . 2]" 1
350 1 58 ASP H 1 58 ASP HA 2.550 . 3.300 2.846 2.717 2.955 . 0 0 "[ . 1 . 2]" 1
351 1 57 GLY QA 1 58 ASP H 2.550 . 3.300 2.697 2.396 2.934 . 0 0 "[ . 1 . 2]" 1
352 1 58 ASP H 1 58 ASP QB 2.550 . 3.300 2.437 2.194 2.653 . 0 0 "[ . 1 . 2]" 1
353 1 58 ASP H 1 59 GLY H 2.550 . 3.300 2.427 1.722 2.943 0.078 16 0 "[ . 1 . 2]" 1
354 1 58 ASP QB 1 60 GLN H 3.400 . 5.000 2.997 2.343 4.003 . 0 0 "[ . 1 . 2]" 1
355 1 59 GLY QA 1 60 GLN H 3.400 . 5.000 2.826 2.720 2.927 . 0 0 "[ . 1 . 2]" 1
356 1 55 ILE MG 1 60 GLN H 3.400 . 5.500 4.520 3.881 5.117 . 0 0 "[ . 1 . 2]" 1
357 1 60 GLN H 1 60 GLN QB 2.550 . 3.300 3.035 2.584 3.193 . 0 0 "[ . 1 . 2]" 1
358 1 60 GLN H 1 60 GLN HA 2.550 . 3.300 2.952 2.797 2.970 . 0 0 "[ . 1 . 2]" 1
359 1 59 GLY H 1 60 GLN H 3.400 . 5.000 2.493 2.150 2.696 . 0 0 "[ . 1 . 2]" 1
360 1 61 VAL H 1 62 ASN H 3.400 . 5.000 4.351 4.299 4.392 . 0 0 "[ . 1 . 2]" 1
361 1 61 VAL H 1 61 VAL QG 2.550 . 3.800 2.942 2.859 3.088 . 0 0 "[ . 1 . 2]" 1
362 1 60 GLN QB 1 61 VAL H 3.400 . 5.000 2.700 2.454 2.844 . 0 0 "[ . 1 . 2]" 1
363 1 60 GLN HA 1 61 VAL H 2.550 . 3.300 2.269 2.156 2.448 . 0 0 "[ . 1 . 2]" 1
364 1 60 GLN H 1 61 VAL H 3.900 . 6.000 4.469 4.384 4.642 . 0 0 "[ . 1 . 2]" 1
365 1 24 TYR QE 1 62 ASN H 3.400 . 5.000 4.565 4.471 4.750 . 0 0 "[ . 1 . 2]" 1
366 1 61 VAL HB 1 62 ASN H 3.400 . 5.000 4.243 4.192 4.360 . 0 0 "[ . 1 . 2]" 1
367 1 61 VAL QG 1 62 ASN H 3.400 . 5.000 2.343 2.288 2.476 . 0 0 "[ . 1 . 2]" 1
368 1 62 ASN H 1 62 ASN QB 2.550 . 3.300 2.719 2.318 2.995 . 0 0 "[ . 1 . 2]" 1
369 1 61 VAL HA 1 62 ASN H 2.550 . 3.300 2.150 2.138 2.171 . 0 0 "[ . 1 . 2]" 1
370 1 24 TYR HA 1 63 TYR H 3.400 . 5.000 3.022 2.853 3.105 . 0 0 "[ . 1 . 2]" 1
371 1 62 ASN QB 1 63 TYR H 3.400 . 5.000 3.607 3.472 3.951 . 0 0 "[ . 1 . 2]" 1
372 1 61 VAL QG 1 63 TYR H 3.400 . 5.500 3.561 3.471 3.647 . 0 0 "[ . 1 . 2]" 1
373 1 63 TYR H 1 63 TYR QE 3.400 . 5.000 3.992 3.924 4.081 . 0 0 "[ . 1 . 2]" 1
374 1 63 TYR H 1 64 GLU H . . 3.300 2.747 2.665 2.788 . 0 0 "[ . 1 . 2]" 1
375 1 63 TYR H 1 63 TYR QD 2.550 . 3.300 2.312 2.209 2.421 . 0 0 "[ . 1 . 2]" 1
376 1 62 ASN HA 1 63 TYR H 2.550 . 3.300 2.202 2.184 2.225 . 0 0 "[ . 1 . 2]" 1
377 1 63 TYR H 1 63 TYR HA 2.550 . 3.300 2.816 2.797 2.831 . 0 0 "[ . 1 . 2]" 1
378 1 63 TYR H 1 63 TYR QB 2.550 . 3.300 2.560 2.532 2.603 . 0 0 "[ . 1 . 2]" 1
379 1 25 ILE MG 1 63 TYR H 3.400 . 5.500 2.916 2.676 3.083 . 0 0 "[ . 1 . 2]" 1
380 1 64 GLU H 1 64 GLU QG 3.400 . 5.000 3.309 2.188 4.053 . 0 0 "[ . 1 . 2]" 1
381 1 64 GLU H 1 64 GLU HA 2.550 . 3.300 2.813 2.808 2.816 . 0 0 "[ . 1 . 2]" 1
382 1 64 GLU H 1 65 GLU H 2.550 . 3.300 2.858 2.827 2.908 . 0 0 "[ . 1 . 2]" 1
383 1 63 TYR QD 1 64 GLU H 3.400 . 5.000 3.458 3.366 3.565 . 0 0 "[ . 1 . 2]" 1
384 1 64 GLU H 1 64 GLU QB 2.300 . 2.800 2.316 2.165 2.425 . 0 0 "[ . 1 . 2]" 1
385 1 64 GLU QB 1 65 GLU H 2.550 . 3.300 2.398 2.333 2.511 . 0 0 "[ . 1 . 2]" 1
386 1 65 GLU H 1 65 GLU QG 3.400 . 5.000 3.089 2.065 4.048 . 0 0 "[ . 1 . 2]" 1
387 1 65 GLU H 1 65 GLU HA 2.550 . 3.300 2.801 2.789 2.816 . 0 0 "[ . 1 . 2]" 1
388 1 65 GLU H 1 66 PHE H 2.550 . 3.300 2.736 2.667 2.803 . 0 0 "[ . 1 . 2]" 1
389 1 65 GLU H 1 67 VAL H 3.400 . 5.000 4.268 4.194 4.323 . 0 0 "[ . 1 . 2]" 1
390 1 61 VAL QG 1 66 PHE H 3.400 . 5.000 4.542 4.396 4.722 . 0 0 "[ . 1 . 2]" 1
391 1 66 PHE H 1 67 VAL QG 3.400 . 5.000 4.330 4.239 4.386 . 0 0 "[ . 1 . 2]" 1
392 1 64 GLU H 1 66 PHE H 3.400 . 5.000 4.159 4.069 4.235 . 0 0 "[ . 1 . 2]" 1
393 1 65 GLU QB 1 66 PHE H 2.550 . 3.300 2.702 2.509 3.462 0.162 2 0 "[ . 1 . 2]" 1
394 1 66 PHE H 1 66 PHE QB 2.550 . 3.300 2.150 2.117 2.190 . 0 0 "[ . 1 . 2]" 1
395 1 65 GLU HA 1 66 PHE H 3.400 . 5.000 3.533 3.506 3.559 . 0 0 "[ . 1 . 2]" 1
396 1 66 PHE H 1 67 VAL H 2.550 . 3.300 2.693 2.653 2.765 . 0 0 "[ . 1 . 2]" 1
397 1 67 VAL H 1 67 VAL HB 2.550 . 3.300 2.380 2.362 2.406 . 0 0 "[ . 1 . 2]" 1
398 1 66 PHE QB 1 67 VAL H 2.550 . 3.300 2.625 2.540 2.708 . 0 0 "[ . 1 . 2]" 1
399 1 67 VAL H 1 67 VAL QG 2.550 . 3.300 2.393 2.287 2.464 . 0 0 "[ . 1 . 2]" 1
400 1 67 VAL QG 1 68 GLN H 3.400 . 5.000 3.137 3.084 3.198 . 0 0 "[ . 1 . 2]" 1
401 1 67 VAL HA 1 68 GLN H 3.400 . 5.000 3.559 3.533 3.590 . 0 0 "[ . 1 . 2]" 1
402 1 68 GLN H 1 68 GLN QB 2.550 . 3.300 2.319 2.196 2.398 . 0 0 "[ . 1 . 2]" 1
403 1 68 GLN H 1 68 GLN HA 2.550 . 3.300 2.825 2.797 2.848 . 0 0 "[ . 1 . 2]" 1
404 1 65 GLU HA 1 68 GLN H 2.550 . 3.300 3.333 3.217 3.414 0.114 12 0 "[ . 1 . 2]" 1
405 1 67 VAL H 1 68 GLN H 2.550 . 3.300 2.678 2.618 2.754 . 0 0 "[ . 1 . 2]" 1
406 1 68 GLN QB 1 68 GLN QE . . 3.300 2.977 2.225 3.590 0.290 2 0 "[ . 1 . 2]" 1
407 1 67 VAL QG 1 68 GLN QE 3.400 . 5.000 4.553 2.838 5.144 0.144 1 0 "[ . 1 . 2]" 1
408 1 69 MET H 1 71 THR H 3.400 . 5.000 3.851 3.768 4.077 . 0 0 "[ . 1 . 2]" 1
409 1 69 MET H 1 69 MET HA 2.550 . 3.300 2.830 2.811 2.865 . 0 0 "[ . 1 . 2]" 1
410 1 66 PHE HA 1 69 MET H 3.400 . 5.000 3.477 3.297 3.608 . 0 0 "[ . 1 . 2]" 1
411 1 69 MET H 1 69 MET QG 3.400 . 5.000 3.020 2.230 3.791 . 0 0 "[ . 1 . 2]" 1
412 1 68 GLN QB 1 69 MET H 2.300 . 2.800 2.526 2.475 2.603 . 0 0 "[ . 1 . 2]" 1
413 1 67 VAL HA 1 70 MET H 3.400 . 5.000 3.279 3.177 3.560 . 0 0 "[ . 1 . 2]" 1
414 1 69 MET QG 1 70 MET H 3.400 . 5.000 3.426 2.485 4.108 . 0 0 "[ . 1 . 2]" 1
415 1 70 MET H 1 70 MET QB 2.550 . 3.300 2.266 2.027 2.389 . 0 0 "[ . 1 . 2]" 1
416 1 70 MET H 1 71 THR H 2.550 . 3.300 2.606 2.524 2.765 . 0 0 "[ . 1 . 2]" 1
417 1 69 MET HA 1 70 MET H 3.400 . 5.000 3.556 3.527 3.579 . 0 0 "[ . 1 . 2]" 1
418 1 71 THR H 1 71 THR MG 3.400 . 5.000 3.053 2.268 3.857 . 0 0 "[ . 1 . 2]" 1
419 1 70 MET QB 1 71 THR H 3.400 . 5.000 2.990 2.609 3.179 . 0 0 "[ . 1 . 2]" 1
420 1 70 MET HA 1 71 THR H 3.400 . 5.000 3.470 3.403 3.568 . 0 0 "[ . 1 . 2]" 1
421 1 70 MET QG 1 71 THR H 3.400 . 5.000 4.388 4.148 4.789 . 0 0 "[ . 1 . 2]" 1
422 1 71 THR MG 1 72 ALA H 3.400 . 5.500 4.193 3.645 4.484 . 0 0 "[ . 1 . 2]" 1
423 1 70 MET HA 1 72 ALA H 3.400 . 5.000 3.897 3.483 4.497 . 0 0 "[ . 1 . 2]" 1
424 1 72 ALA H 1 72 ALA MB 2.550 . 3.300 2.453 2.204 2.821 . 0 0 "[ . 1 . 2]" 1
425 1 72 ALA H 1 72 ALA HA 2.550 . 3.300 2.920 2.758 2.965 . 0 0 "[ . 1 . 2]" 1
426 1 72 ALA H 1 73 LYS H 3.400 . 5.000 3.520 2.687 4.400 . 0 0 "[ . 1 . 2]" 1
427 1 73 LYS H 1 73 LYS QB 2.550 . 3.300 2.860 2.144 3.165 . 0 0 "[ . 1 . 2]" 1
428 1 73 LYS H 1 73 LYS HA 2.550 . 3.300 2.768 2.294 2.937 . 0 0 "[ . 1 . 2]" 1
429 1 72 ALA HA 1 73 LYS H 2.550 . 3.300 2.627 2.245 3.417 0.117 10 0 "[ . 1 . 2]" 1
430 1 5 ASP HA 1 5 ASP QB 2.300 . 2.800 2.366 2.169 2.486 . 0 0 "[ . 1 . 2]" 1
431 1 6 SER HA 1 6 SER QB 2.300 . 2.800 2.321 2.189 2.382 . 0 0 "[ . 1 . 2]" 1
432 1 6 SER QB 1 9 GLU QB 2.300 . 2.800 2.834 2.707 2.889 0.089 4 0 "[ . 1 . 2]" 1
433 1 6 SER HA 1 9 GLU QB 2.300 . 2.800 2.851 2.814 2.902 0.102 3 0 "[ . 1 . 2]" 1
434 1 6 SER HA 1 8 GLU QG 2.300 . 2.800 2.964 2.854 3.070 0.270 9 0 "[ . 1 . 2]" 1
435 1 7 GLU HA 1 10 ILE HB 3.400 . 5.000 3.240 2.932 4.042 . 0 0 "[ . 1 . 2]" 1
436 1 7 GLU HA 1 71 THR MG 2.300 . 3.300 3.086 2.636 3.404 0.104 5 0 "[ . 1 . 2]" 1
437 1 7 GLU HA 1 7 GLU QG 2.550 . 3.300 2.592 2.282 3.396 0.096 15 0 "[ . 1 . 2]" 1
438 1 8 GLU HA 1 11 ARG QD 2.300 . 2.800 2.766 2.324 2.983 0.183 19 0 "[ . 1 . 2]" 1
439 1 8 GLU QB 1 8 GLU QG 2.300 . 2.800 2.089 2.049 2.112 . 0 0 "[ . 1 . 2]" 1
440 1 8 GLU HA 1 8 GLU QB 2.300 . 2.800 2.188 2.173 2.194 . 0 0 "[ . 1 . 2]" 1
441 1 9 GLU HA 1 12 GLU QB 2.550 . 3.300 3.074 2.859 3.343 0.043 8 0 "[ . 1 . 2]" 1
442 1 9 GLU QB 1 9 GLU QG 2.300 . 2.800 2.089 2.028 2.109 . 0 0 "[ . 1 . 2]" 1
443 1 9 GLU HA 1 9 GLU QG 2.300 . 2.800 2.450 2.302 2.887 0.087 2 0 "[ . 1 . 2]" 1
444 1 10 ILE HA 1 10 ILE MG 2.550 . 3.800 2.375 2.319 2.468 . 0 0 "[ . 1 . 2]" 1
445 1 10 ILE HA 1 10 ILE MD 2.300 . 3.300 2.336 2.091 3.516 0.216 8 0 "[ . 1 . 2]" 1
446 1 10 ILE HA 1 13 ALA MB 2.300 . 3.300 3.020 2.371 3.221 . 0 0 "[ . 1 . 2]" 1
447 1 10 ILE HA 1 10 ILE HB 2.550 . 3.300 3.024 3.011 3.033 . 0 0 "[ . 1 . 2]" 1
448 1 10 ILE HB 1 10 ILE MG 2.300 . 3.300 2.141 2.129 2.150 . 0 0 "[ . 1 . 2]" 1
449 1 10 ILE HB 1 10 ILE QG 2.300 . 2.800 2.195 2.186 2.255 . 0 0 "[ . 1 . 2]" 1
450 1 10 ILE HB 1 10 ILE MD 2.550 . 3.800 3.121 2.568 3.231 . 0 0 "[ . 1 . 2]" 1
451 1 10 ILE HA 1 10 ILE QG 2.300 . 2.800 2.601 2.351 2.874 0.074 17 0 "[ . 1 . 2]" 1
452 1 10 ILE QG 1 10 ILE MG 2.550 . 3.800 2.427 2.241 2.492 . 0 0 "[ . 1 . 2]" 1
453 1 10 ILE MD 1 10 ILE MG 2.300 . 2.800 1.808 1.776 1.948 0.024 12 0 "[ . 1 . 2]" 1
454 1 10 ILE MD 1 14 PHE QE 2.550 . 3.800 3.940 3.851 4.030 0.230 17 0 "[ . 1 . 2]" 1
455 1 10 ILE MG 1 14 PHE QE 2.300 . 3.300 2.104 2.043 2.193 . 0 0 "[ . 1 . 2]" 1
456 1 10 ILE MG 1 14 PHE QD 2.300 . 3.300 2.726 2.268 2.933 . 0 0 "[ . 1 . 2]" 1
457 1 11 ARG HA 1 67 VAL QG 2.300 . 3.300 2.864 2.626 3.101 . 0 0 "[ . 1 . 2]" 1
458 1 11 ARG HA 1 14 PHE QB 2.550 . 3.300 2.776 2.594 2.971 . 0 0 "[ . 1 . 2]" 1
459 1 11 ARG HA 1 11 ARG QB 2.300 . 2.800 2.371 2.184 2.417 . 0 0 "[ . 1 . 2]" 1
460 1 11 ARG HA 1 14 PHE QD 2.300 . 2.800 2.453 2.314 2.860 0.060 12 0 "[ . 1 . 2]" 1
461 1 11 ARG QD 1 11 ARG QG 2.300 . 2.800 2.075 2.025 2.108 . 0 0 "[ . 1 . 2]" 1
462 1 12 GLU HA 1 15 ARG QD 2.300 . 2.800 2.415 2.292 2.848 0.048 2 0 "[ . 1 . 2]" 1
463 1 12 GLU HA 1 12 GLU QG 2.300 . 2.800 2.444 2.292 2.861 0.061 1 0 "[ . 1 . 2]" 1
464 1 13 ALA HA 1 13 ALA MB 2.300 . 3.300 2.130 2.101 2.145 . 0 0 "[ . 1 . 2]" 1
465 1 13 ALA HA 1 16 VAL QG 2.300 . 3.300 2.920 2.617 3.431 0.131 8 0 "[ . 1 . 2]" 1
466 1 14 PHE HA 1 14 PHE QD 2.300 . 2.800 2.728 2.354 2.826 0.026 2 0 "[ . 1 . 2]" 1
467 1 14 PHE HA 1 25 ILE MG 2.550 . 3.800 3.869 3.750 4.043 0.243 18 0 "[ . 1 . 2]" 1
468 1 14 PHE HA 1 25 ILE MD 3.400 . 5.500 3.985 3.665 4.191 . 0 0 "[ . 1 . 2]" 1
469 1 14 PHE HA 1 14 PHE QB 2.300 . 2.800 2.428 2.404 2.459 . 0 0 "[ . 1 . 2]" 1
470 1 14 PHE QB 1 14 PHE QD 2.300 . 2.800 2.151 2.147 2.163 . 0 0 "[ . 1 . 2]" 1
471 1 14 PHE QB 1 63 TYR QD 2.550 . 3.300 2.982 2.831 3.095 . 0 0 "[ . 1 . 2]" 1
472 1 15 ARG HA 1 63 TYR QE 3.400 . 5.000 4.720 4.294 5.042 0.042 8 0 "[ . 1 . 2]" 1
473 1 15 ARG HA 1 18 ASP QB 2.300 . 2.800 2.280 2.245 2.471 . 0 0 "[ . 1 . 2]" 1
474 1 15 ARG QD 1 15 ARG QG 2.300 . 2.800 2.105 2.094 2.108 . 0 0 "[ . 1 . 2]" 1
475 1 15 ARG QB 1 15 ARG QD 2.300 . 2.800 2.187 2.127 2.326 . 0 0 "[ . 1 . 2]" 1
476 1 15 ARG HA 1 15 ARG QG 2.300 . 2.800 2.257 2.215 2.290 . 0 0 "[ . 1 . 2]" 1
477 1 16 VAL HA 1 16 VAL QG 2.300 . 3.300 2.086 2.052 2.196 . 0 0 "[ . 1 . 2]" 1
478 1 13 ALA HA 1 16 VAL HB 2.550 . 3.800 3.920 3.848 4.008 0.208 9 0 "[ . 1 . 2]" 1
479 1 16 VAL HB 1 17 PHE QD 3.400 . 5.000 3.951 3.611 5.124 0.124 8 0 "[ . 1 . 2]" 1
480 1 16 VAL HB 1 17 PHE QE 3.400 . 5.000 3.944 3.615 5.024 0.024 8 0 "[ . 1 . 2]" 1
481 1 16 VAL QG 1 17 PHE QE 2.550 . 3.800 2.857 2.504 3.346 . 0 0 "[ . 1 . 2]" 1
482 1 16 VAL QG 1 17 PHE QD 2.550 . 3.800 2.846 2.385 3.301 . 0 0 "[ . 1 . 2]" 1
483 1 16 VAL QG 1 17 PHE HA 2.550 . 3.800 3.400 3.203 3.485 . 0 0 "[ . 1 . 2]" 1
484 1 17 PHE HA 1 25 ILE MG 3.400 . 5.500 4.938 4.721 5.201 . 0 0 "[ . 1 . 2]" 1
485 1 17 PHE HA 1 17 PHE QB 2.300 . 2.800 2.302 2.282 2.330 . 0 0 "[ . 1 . 2]" 1
486 1 17 PHE HA 1 17 PHE QD 2.300 . 2.800 2.294 2.192 2.407 . 0 0 "[ . 1 . 2]" 1
487 1 17 PHE QB 1 17 PHE QD 2.300 . 2.800 2.184 2.164 2.226 . 0 0 "[ . 1 . 2]" 1
488 1 17 PHE QB 1 29 GLU QG 2.550 . 3.300 3.099 2.754 3.305 0.005 12 0 "[ . 1 . 2]" 1
489 1 17 PHE QB 1 25 ILE MD 2.550 . 3.300 2.436 2.194 2.710 . 0 0 "[ . 1 . 2]" 1
490 1 17 PHE QB 1 25 ILE MG 2.550 . 3.300 2.478 2.242 2.777 . 0 0 "[ . 1 . 2]" 1
491 1 17 PHE QB 1 25 ILE HB 2.550 . 3.300 2.260 2.097 2.470 . 0 0 "[ . 1 . 2]" 1
492 1 18 ASP HA 1 19 LYS QB 3.400 . 5.000 4.681 4.188 4.921 . 0 0 "[ . 1 . 2]" 1
493 1 18 ASP HA 1 21 GLY QA 3.400 . 5.000 5.021 4.806 5.100 0.100 2 0 "[ . 1 . 2]" 1
494 1 18 ASP HA 1 63 TYR QE 3.400 . 5.000 5.040 4.862 5.157 0.157 14 0 "[ . 1 . 2]" 1
495 1 18 ASP HA 1 25 ILE MG 2.300 . 3.300 3.318 3.141 3.401 0.101 20 0 "[ . 1 . 2]" 1
496 1 18 ASP HA 1 18 ASP QB 2.300 . 2.800 2.365 2.191 2.420 . 0 0 "[ . 1 . 2]" 1
497 1 18 ASP QB 1 63 TYR QE 2.300 . 2.800 2.811 2.763 2.843 0.043 20 0 "[ . 1 . 2]" 1
498 1 18 ASP QB 1 25 ILE MG 2.550 . 3.300 2.371 2.227 3.196 . 0 0 "[ . 1 . 2]" 1
499 1 19 LYS HA 1 19 LYS QB 2.300 . 2.800 2.195 2.159 2.311 . 0 0 "[ . 1 . 2]" 1
500 1 19 LYS QB 1 19 LYS QG 2.300 . 2.800 2.100 2.020 2.110 . 0 0 "[ . 1 . 2]" 1
501 1 19 LYS HA 1 19 LYS QG 2.550 . 3.300 3.136 2.455 3.330 0.030 13 0 "[ . 1 . 2]" 1
502 1 19 LYS QE 1 19 LYS QG 2.550 . 2.800 2.236 2.123 2.391 . 0 0 "[ . 1 . 2]" 1
503 1 19 LYS QD 1 19 LYS QE 2.300 . 2.800 2.077 2.026 2.112 . 0 0 "[ . 1 . 2]" 1
504 1 22 ASN HA 1 22 ASN QB 2.300 . 2.800 2.343 2.173 2.467 . 0 0 "[ . 1 . 2]" 1
505 1 22 ASN QB 1 24 TYR QD 2.550 . 3.300 2.807 2.452 3.292 . 0 0 "[ . 1 . 2]" 1
506 1 23 GLY QA 1 24 TYR QE 2.550 . 3.300 3.349 3.320 3.398 0.098 18 0 "[ . 1 . 2]" 1
507 1 22 ASN HA 1 23 GLY QA 3.400 . 5.000 4.180 4.163 4.196 . 0 0 "[ . 1 . 2]" 1
508 1 24 TYR HA 1 62 ASN HA 2.300 . 2.800 2.285 2.261 2.317 . 0 0 "[ . 1 . 2]" 1
509 1 24 TYR HA 1 24 TYR QB 2.300 . 2.800 2.322 2.309 2.341 . 0 0 "[ . 1 . 2]" 1
510 1 24 TYR HA 1 24 TYR QD 2.550 . 3.300 3.145 3.107 3.168 . 0 0 "[ . 1 . 2]" 1
511 1 24 TYR HA 1 63 TYR QD 2.550 . 3.300 3.257 3.126 3.337 0.037 14 0 "[ . 1 . 2]" 1
512 1 24 TYR QB 1 24 TYR QD 2.300 . 2.800 2.147 2.144 2.154 . 0 0 "[ . 1 . 2]" 1
513 1 24 TYR QB 1 62 ASN HA 2.550 . 3.300 3.483 3.435 3.514 0.214 13 0 "[ . 1 . 2]" 1
514 1 25 ILE HA 1 25 ILE HB 2.300 . 2.800 2.315 2.290 2.357 . 0 0 "[ . 1 . 2]" 1
515 1 25 ILE HA 1 25 ILE MG 2.300 . 3.300 2.648 2.536 2.713 . 0 0 "[ . 1 . 2]" 1
516 1 25 ILE HA 1 25 ILE QG 2.550 . 3.300 3.247 3.216 3.306 0.006 5 0 "[ . 1 . 2]" 1
517 1 25 ILE HA 1 63 TYR QD 3.400 . 5.000 4.994 4.910 5.078 0.078 10 0 "[ . 1 . 2]" 1
518 1 25 ILE HA 1 25 ILE MD 3.400 . 5.500 4.129 4.119 4.149 . 0 0 "[ . 1 . 2]" 1
519 1 25 ILE HB 1 63 TYR QD 3.400 . 5.000 4.732 4.649 4.899 . 0 0 "[ . 1 . 2]" 1
520 1 17 PHE QD 1 25 ILE HB 3.400 . 5.000 4.093 3.972 4.241 . 0 0 "[ . 1 . 2]" 1
521 1 25 ILE HB 1 25 ILE QG 2.300 . 2.800 2.323 2.305 2.362 . 0 0 "[ . 1 . 2]" 1
522 1 25 ILE HB 1 25 ILE MG 2.300 . 3.300 2.137 2.124 2.147 . 0 0 "[ . 1 . 2]" 1
523 1 25 ILE HB 1 25 ILE MD 2.550 . 3.300 2.400 2.322 2.443 . 0 0 "[ . 1 . 2]" 1
524 1 25 ILE QG 1 63 TYR QD 3.400 . 5.000 4.453 4.168 4.537 . 0 0 "[ . 1 . 2]" 1
525 1 14 PHE QD 1 25 ILE QG 3.400 . 5.000 4.472 4.216 4.678 . 0 0 "[ . 1 . 2]" 1
526 1 25 ILE QG 1 61 VAL HB 2.300 . 2.800 2.249 2.132 2.562 . 0 0 "[ . 1 . 2]" 1
527 1 25 ILE QG 1 61 VAL QG 2.300 . 3.300 2.731 2.258 2.927 . 0 0 "[ . 1 . 2]" 1
528 1 25 ILE MG 1 63 TYR QD 2.550 . 3.800 2.029 2.009 2.083 . 0 0 "[ . 1 . 2]" 1
529 1 25 ILE MG 1 63 TYR QB 2.300 . 3.300 2.529 2.383 2.709 . 0 0 "[ . 1 . 2]" 1
530 1 25 ILE MG 1 63 TYR QE 2.300 . 3.300 3.346 3.220 3.409 0.109 5 0 "[ . 1 . 2]" 1
531 1 17 PHE QD 1 25 ILE MG 2.550 . 3.800 3.339 3.091 3.712 . 0 0 "[ . 1 . 2]" 1
532 1 17 PHE QD 1 25 ILE MD 2.550 . 3.800 2.580 2.227 3.153 . 0 0 "[ . 1 . 2]" 1
533 1 25 ILE MD 1 61 VAL QG 2.550 . 3.800 2.847 2.445 3.088 . 0 0 "[ . 1 . 2]" 1
534 1 25 ILE MD 1 63 TYR QD 2.550 . 3.800 3.776 3.644 3.875 0.075 18 0 "[ . 1 . 2]" 1
535 1 26 SER HA 1 26 SER QB 2.300 . 2.800 2.367 2.337 2.389 . 0 0 "[ . 1 . 2]" 1
536 1 26 SER HA 1 60 GLN QB 2.550 . 3.300 3.386 3.308 3.491 0.191 2 0 "[ . 1 . 2]" 1
537 1 26 SER HA 1 61 VAL QG 3.400 . 5.000 4.706 4.370 4.999 . 0 0 "[ . 1 . 2]" 1
538 1 26 SER QB 1 29 GLU QB 2.300 . 2.800 2.629 2.200 2.829 0.029 4 0 "[ . 1 . 2]" 1
539 1 27 ALA HA 1 27 ALA MB 2.300 . 3.300 2.117 2.104 2.126 . 0 0 "[ . 1 . 2]" 1
540 1 27 ALA HA 1 30 LEU QB 2.550 . 3.300 2.735 2.188 2.871 . 0 0 "[ . 1 . 2]" 1
541 1 27 ALA HA 1 61 VAL QG 2.300 . 3.300 2.352 2.118 3.168 . 0 0 "[ . 1 . 2]" 1
542 1 27 ALA MB 1 61 VAL QG 2.300 . 3.300 1.959 1.874 2.068 . 0 0 "[ . 1 . 2]" 1
543 1 27 ALA MB 1 55 ILE MD 2.550 . 3.300 2.790 2.156 3.340 0.040 12 0 "[ . 1 . 2]" 1
544 1 27 ALA MB 1 59 GLY QA 2.300 . 3.300 2.630 2.267 3.303 0.003 4 0 "[ . 1 . 2]" 1
545 1 27 ALA MB 1 54 ASP QB 2.550 . 3.800 3.925 3.852 4.028 0.228 4 0 "[ . 1 . 2]" 1
546 1 28 ALA HA 1 28 ALA MB 2.300 . 3.300 2.121 2.091 2.140 . 0 0 "[ . 1 . 2]" 1
547 1 28 ALA HA 1 31 ARG QB 2.550 . 3.300 3.212 2.985 3.388 0.088 14 0 "[ . 1 . 2]" 1
548 1 29 GLU HA 1 32 HIS QB 2.550 . 2.800 2.719 2.533 2.845 0.045 16 0 "[ . 1 . 2]" 1
549 1 29 GLU HA 1 29 GLU QG 2.550 . 3.300 3.178 2.589 3.393 0.093 9 0 "[ . 1 . 2]" 1
550 1 30 LEU HA 1 30 LEU QD 2.300 . 3.300 2.577 2.107 3.037 . 0 0 "[ . 1 . 2]" 1
551 1 30 LEU HA 1 30 LEU QB 2.300 . 2.800 2.372 2.335 2.422 . 0 0 "[ . 1 . 2]" 1
552 1 30 LEU QB 1 30 LEU QD 2.300 . 3.300 1.882 1.850 1.915 . 0 0 "[ . 1 . 2]" 1
553 1 30 LEU QB 1 30 LEU HG 2.300 . 2.800 2.480 2.390 2.545 . 0 0 "[ . 1 . 2]" 1
554 1 30 LEU HA 1 30 LEU HG 2.300 . 2.800 2.636 2.335 2.979 0.179 8 0 "[ . 1 . 2]" 1
555 1 30 LEU HG 1 34 MET QG 2.300 . 2.800 2.822 2.649 2.865 0.065 4 0 "[ . 1 . 2]" 1
556 1 25 ILE QG 1 30 LEU QD 2.300 . 3.300 3.366 3.227 3.437 0.137 15 0 "[ . 1 . 2]" 1
557 1 30 LEU QD 1 66 PHE QE 3.400 . 5.500 2.679 2.271 3.130 . 0 0 "[ . 1 . 2]" 1
558 1 14 PHE QE 1 30 LEU QD 3.400 . 3.800 3.061 2.587 3.348 . 0 0 "[ . 1 . 2]" 1
559 1 31 ARG HA 1 50 ILE MD 2.300 . 3.300 3.463 3.351 3.562 0.262 13 0 "[ . 1 . 2]" 1
560 1 31 ARG HA 1 46 VAL QG 2.300 . 3.300 2.718 2.241 3.174 . 0 0 "[ . 1 . 2]" 1
561 1 31 ARG HA 1 31 ARG QB 2.300 . 2.800 2.322 2.212 2.379 . 0 0 "[ . 1 . 2]" 1
562 1 31 ARG HA 1 35 THR MG 2.300 . 3.300 3.375 3.307 3.452 0.152 7 0 "[ . 1 . 2]" 1
563 1 31 ARG QB 1 50 ILE MD 2.300 . 3.300 2.830 2.347 3.304 0.004 12 0 "[ . 1 . 2]" 1
564 1 31 ARG HA 1 34 MET QB 2.550 . 3.300 2.779 2.540 3.074 . 0 0 "[ . 1 . 2]" 1
565 1 31 ARG QD 1 31 ARG QG 2.300 . 2.800 2.056 2.021 2.108 . 0 0 "[ . 1 . 2]" 1
566 1 31 ARG QG 1 46 VAL QG . . 3.300 2.803 2.067 3.563 0.263 19 0 "[ . 1 . 2]" 1
567 1 31 ARG QD 1 50 ILE MD 3.400 . 5.500 3.980 2.260 5.089 . 0 0 "[ . 1 . 2]" 1
568 1 31 ARG QD 1 46 VAL QG 2.550 . 3.800 2.800 1.848 3.839 0.039 6 0 "[ . 1 . 2]" 1
569 1 31 ARG QD 1 35 THR MG 2.550 . 3.800 2.564 1.952 3.402 . 0 0 "[ . 1 . 2]" 1
570 1 31 ARG QB 1 31 ARG QD 2.300 . 2.800 2.370 2.138 2.717 . 0 0 "[ . 1 . 2]" 1
571 1 32 HIS HA 1 32 HIS QB 2.300 . 2.800 2.327 2.300 2.351 . 0 0 "[ . 1 . 2]" 1
572 1 32 HIS QB 1 32 HIS HD2 2.550 . 3.300 2.700 2.685 2.773 . 0 0 "[ . 1 . 2]" 1
573 1 32 HIS HD2 1 33 VAL HA 3.400 . 5.000 3.593 2.907 3.817 . 0 0 "[ . 1 . 2]" 1
574 1 33 VAL HA 1 33 VAL QG 2.300 . 2.800 2.103 2.057 2.131 . 0 0 "[ . 1 . 2]" 1
575 1 33 VAL HA 1 37 LEU HG 2.300 . 2.800 2.677 2.437 2.853 0.053 18 0 "[ . 1 . 2]" 1
576 1 30 LEU HA 1 33 VAL HB 2.550 . 3.300 2.418 2.312 2.583 . 0 0 "[ . 1 . 2]" 1
577 1 33 VAL HB 1 37 LEU QD 3.400 . 5.500 4.414 4.176 4.677 . 0 0 "[ . 1 . 2]" 1
578 1 17 PHE QE 1 33 VAL HB 3.400 . 5.000 4.687 4.403 5.047 0.047 6 0 "[ . 1 . 2]" 1
579 1 17 PHE QE 1 33 VAL QG 2.550 . 3.800 2.493 2.225 2.689 . 0 0 "[ . 1 . 2]" 1
580 1 17 PHE QD 1 33 VAL QG 2.550 . 3.800 3.262 3.070 3.436 . 0 0 "[ . 1 . 2]" 1
581 1 34 MET HA 1 34 MET QB 2.300 . 2.800 2.490 2.471 2.502 . 0 0 "[ . 1 . 2]" 1
582 1 34 MET HA 1 34 MET ME 2.550 . 3.800 3.472 2.942 3.757 . 0 0 "[ . 1 . 2]" 1
583 1 34 MET HA 1 41 LEU QD 2.300 . 3.300 3.318 3.086 3.430 0.130 11 0 "[ . 1 . 2]" 1
584 1 34 MET QB 1 41 LEU HG 2.550 . 3.300 3.353 3.309 3.401 0.101 18 0 "[ . 1 . 2]" 1
585 1 34 MET QB 1 41 LEU QD 2.300 . 3.300 3.278 3.108 3.408 0.108 2 0 "[ . 1 . 2]" 1
586 1 34 MET QG 1 41 LEU HG 2.550 . 3.300 3.390 3.319 3.494 0.194 10 0 "[ . 1 . 2]" 1
587 1 34 MET QB 1 34 MET QG 2.300 . 2.800 1.985 1.972 1.997 . 0 0 "[ . 1 . 2]" 1
588 1 34 MET QG 1 41 LEU QD 2.550 . 3.800 3.331 3.065 3.608 . 0 0 "[ . 1 . 2]" 1
589 1 34 MET HA 1 34 MET QG 2.550 . 3.300 2.509 2.432 2.601 . 0 0 "[ . 1 . 2]" 1
590 1 34 MET ME 1 34 MET QG 2.300 . 3.300 2.133 2.102 2.179 . 0 0 "[ . 1 . 2]" 1
591 1 17 PHE QE 1 34 MET ME 3.400 . 5.500 3.715 3.285 4.131 . 0 0 "[ . 1 . 2]" 1
592 1 35 THR HA 1 40 LYS HA . . 3.300 2.779 2.371 3.158 . 0 0 "[ . 1 . 2]" 1
593 1 35 THR HA 1 46 VAL QG 2.550 . 3.800 3.810 3.558 3.934 0.134 5 0 "[ . 1 . 2]" 1
594 1 35 THR HA 1 35 THR HB 2.300 . 2.800 2.430 2.408 2.450 . 0 0 "[ . 1 . 2]" 1
595 1 35 THR HA 1 35 THR MG 2.300 . 3.300 2.345 2.271 2.464 . 0 0 "[ . 1 . 2]" 1
596 1 35 THR HB 1 46 VAL QG 2.550 . 3.800 3.936 3.847 4.051 0.251 20 0 "[ . 1 . 2]" 1
597 1 35 THR HB 1 35 THR MG 2.300 . 3.300 2.119 2.088 2.139 . 0 0 "[ . 1 . 2]" 1
598 1 35 THR MG 1 46 VAL HB 2.550 . 3.800 3.687 3.463 3.877 0.077 6 0 "[ . 1 . 2]" 1
599 1 35 THR MG 1 46 VAL QG 2.300 . 3.300 1.836 1.777 1.903 0.023 11 0 "[ . 1 . 2]" 1
600 1 36 ASN HA 1 36 ASN QB 2.300 . 2.800 2.405 2.329 2.435 . 0 0 "[ . 1 . 2]" 1
601 1 36 ASN HA 1 40 LYS QG 3.400 . 5.000 3.117 2.670 5.050 0.050 10 0 "[ . 1 . 2]" 1
602 1 36 ASN HA 1 40 LYS QE 2.550 . 3.300 2.783 2.312 3.354 0.054 6 0 "[ . 1 . 2]" 1
603 1 36 ASN QB 1 37 LEU QD 2.550 . 3.800 3.230 3.044 3.429 . 0 0 "[ . 1 . 2]" 1
604 1 36 ASN QB 1 37 LEU HG 3.400 . 5.000 2.636 2.508 2.842 . 0 0 "[ . 1 . 2]" 1
605 1 33 VAL HA 1 36 ASN QB 2.550 . 3.300 3.163 2.694 3.348 0.048 9 0 "[ . 1 . 2]" 1
606 1 37 LEU HA 1 37 LEU QB 2.300 . 2.800 2.351 2.333 2.391 . 0 0 "[ . 1 . 2]" 1
607 1 37 LEU QB 1 37 LEU QD 2.550 . 3.800 1.895 1.886 1.903 . 0 0 "[ . 1 . 2]" 1
608 1 33 VAL QG 1 37 LEU QB 2.550 . 3.800 2.214 2.172 2.249 . 0 0 "[ . 1 . 2]" 1
609 1 37 LEU HA 1 37 LEU HG 2.550 . 3.300 3.058 2.886 3.127 . 0 0 "[ . 1 . 2]" 1
610 1 33 VAL QG 1 37 LEU HG 2.550 . 3.800 3.270 3.145 3.440 . 0 0 "[ . 1 . 2]" 1
611 1 33 VAL QG 1 37 LEU QD 2.550 . 3.800 2.097 1.927 2.289 . 0 0 "[ . 1 . 2]" 1
612 1 37 LEU HA 1 37 LEU QD 2.550 . 3.800 2.109 2.095 2.154 . 0 0 "[ . 1 . 2]" 1
613 1 17 PHE QE 1 37 LEU QD 2.550 . 3.800 3.378 3.052 3.625 . 0 0 "[ . 1 . 2]" 1
614 1 33 VAL HA 1 37 LEU QD 3.400 . 5.500 2.778 2.586 3.139 . 0 0 "[ . 1 . 2]" 1
615 1 37 LEU HA 1 38 GLY QA 3.400 . 5.000 4.040 3.942 4.147 . 0 0 "[ . 1 . 2]" 1
616 1 39 GLU HA 1 39 GLU QG 2.300 . 2.800 2.494 2.300 2.839 0.039 19 0 "[ . 1 . 2]" 1
617 1 39 GLU HA 1 39 GLU QB 2.300 . 2.800 2.380 2.237 2.527 . 0 0 "[ . 1 . 2]" 1
618 1 39 GLU HA 1 40 LYS QG 3.400 . 5.000 3.874 3.333 4.462 . 0 0 "[ . 1 . 2]" 1
619 1 39 GLU QB 1 39 GLU QG 2.300 . 2.800 2.074 2.032 2.108 . 0 0 "[ . 1 . 2]" 1
620 1 40 LYS HA 1 40 LYS QB 2.300 . 2.800 2.385 2.335 2.466 . 0 0 "[ . 1 . 2]" 1
621 1 40 LYS HA 1 40 LYS QG 2.300 . 2.800 2.362 2.204 2.693 . 0 0 "[ . 1 . 2]" 1
622 1 35 THR HA 1 40 LYS QB 3.400 . 5.000 3.501 2.869 4.339 . 0 0 "[ . 1 . 2]" 1
623 1 39 GLU HA 1 40 LYS QB 3.400 . 5.000 4.216 3.830 4.497 . 0 0 "[ . 1 . 2]" 1
624 1 40 LYS QB 1 40 LYS QG 2.300 . 2.800 2.103 2.042 2.114 . 0 0 "[ . 1 . 2]" 1
625 1 40 LYS QE 1 40 LYS QG 2.300 . 2.800 2.240 2.129 2.340 . 0 0 "[ . 1 . 2]" 1
626 1 40 LYS QD 1 40 LYS QG 2.300 . 2.800 2.095 2.031 2.110 . 0 0 "[ . 1 . 2]" 1
627 1 40 LYS QD 1 40 LYS QE 2.300 . 2.800 2.064 2.024 2.113 . 0 0 "[ . 1 . 2]" 1
628 1 36 ASN HA 1 40 LYS QD 3.400 . 5.000 3.865 2.648 4.872 . 0 0 "[ . 1 . 2]" 1
629 1 41 LEU HA 1 41 LEU QB 2.300 . 2.800 2.483 2.435 2.513 . 0 0 "[ . 1 . 2]" 1
630 1 41 LEU QB 1 41 LEU HG 2.550 . 2.800 2.195 2.191 2.198 . 0 0 "[ . 1 . 2]" 1
631 1 41 LEU QB 1 41 LEU QD 2.550 . 3.800 2.013 1.993 2.034 . 0 0 "[ . 1 . 2]" 1
632 1 41 LEU QB 1 45 GLU QB 2.550 . 2.800 2.414 2.283 2.619 . 0 0 "[ . 1 . 2]" 1
633 1 41 LEU HG 1 46 VAL HA 3.400 . 5.000 4.588 4.243 4.816 . 0 0 "[ . 1 . 2]" 1
634 1 34 MET HA 1 41 LEU HG 3.400 . 5.000 4.684 4.509 4.837 . 0 0 "[ . 1 . 2]" 1
635 1 42 THR HA 1 42 THR MG 2.300 . 3.300 2.326 2.283 2.406 . 0 0 "[ . 1 . 2]" 1
636 1 42 THR HA 1 42 THR HB 2.300 . 2.800 2.441 2.384 2.450 . 0 0 "[ . 1 . 2]" 1
637 1 42 THR HB 1 42 THR MG 2.300 . 3.300 2.124 2.105 2.147 . 0 0 "[ . 1 . 2]" 1
638 1 42 THR HB 1 43 ASP QB 3.400 . 5.000 4.116 3.905 4.685 . 0 0 "[ . 1 . 2]" 1
639 1 42 THR MG 1 45 GLU QG 2.550 . 3.800 3.652 3.319 3.848 0.048 10 0 "[ . 1 . 2]" 1
640 1 42 THR HB 1 44 GLU QB 3.400 . 5.000 3.906 3.722 4.184 . 0 0 "[ . 1 . 2]" 1
641 1 43 ASP HA 1 46 VAL QG 2.300 . 3.300 2.935 2.587 3.219 . 0 0 "[ . 1 . 2]" 1
642 1 43 ASP HA 1 43 ASP QB 2.300 . 2.800 2.357 2.185 2.415 . 0 0 "[ . 1 . 2]" 1
643 1 43 ASP HA 1 46 VAL HB 2.550 . 2.800 2.426 2.306 2.598 . 0 0 "[ . 1 . 2]" 1
644 1 43 ASP QB 1 46 VAL QG 3.400 . 5.500 4.301 4.024 4.566 . 0 0 "[ . 1 . 2]" 1
645 1 44 GLU HA 1 44 GLU QB 2.300 . 2.800 2.391 2.354 2.411 . 0 0 "[ . 1 . 2]" 1
646 1 44 GLU HA 1 47 ASP QB 2.550 . 2.800 2.829 2.804 2.894 0.094 17 0 "[ . 1 . 2]" 1
647 1 44 GLU HA 1 44 GLU QG 2.300 . 2.800 2.478 2.267 2.902 0.102 15 0 "[ . 1 . 2]" 1
648 1 45 GLU HA 1 45 GLU QG 2.300 . 2.800 2.499 2.260 2.861 0.061 11 0 "[ . 1 . 2]" 1
649 1 45 GLU QB 1 45 GLU QG 2.300 . 2.800 2.042 1.972 2.113 . 0 0 "[ . 1 . 2]" 1
650 1 41 LEU HG 1 45 GLU QB 2.550 . 3.300 3.371 3.284 3.441 0.141 20 0 "[ . 1 . 2]" 1
651 1 41 LEU QD 1 45 GLU QB 2.300 . 3.300 1.961 1.907 2.037 . 0 0 "[ . 1 . 2]" 1
652 1 46 VAL HA 1 46 VAL QG 2.300 . 3.300 2.059 2.018 2.120 . 0 0 "[ . 1 . 2]" 1
653 1 46 VAL HA 1 49 MET QG 2.300 . 2.800 2.797 2.599 2.992 0.192 13 0 "[ . 1 . 2]" 1
654 1 46 VAL HA 1 49 MET ME 2.550 . 3.800 3.930 3.590 3.998 0.198 13 0 "[ . 1 . 2]" 1
655 1 46 VAL HA 1 46 VAL HB 2.550 . 3.300 3.034 3.021 3.046 . 0 0 "[ . 1 . 2]" 1
656 1 46 VAL HB 1 50 ILE MD 3.400 . 5.500 4.064 3.877 4.198 . 0 0 "[ . 1 . 2]" 1
657 1 46 VAL QG 1 47 ASP HA 2.300 . 3.300 3.272 3.156 3.406 0.106 15 0 "[ . 1 . 2]" 1
658 1 46 VAL QG 1 50 ILE MD 2.300 . 3.300 1.889 1.800 1.974 0.000 14 0 "[ . 1 . 2]" 1
659 1 47 ASP HA 1 47 ASP QB 2.300 . 2.800 2.397 2.357 2.424 . 0 0 "[ . 1 . 2]" 1
660 1 47 ASP HA 1 50 ILE HB 2.300 . 2.800 2.362 2.275 2.529 . 0 0 "[ . 1 . 2]" 1
661 1 47 ASP HA 1 50 ILE MG 2.300 . 3.300 3.310 2.592 3.472 0.172 6 0 "[ . 1 . 2]" 1
662 1 47 ASP HA 1 50 ILE MD 2.300 . 3.300 3.336 2.882 3.445 0.145 17 0 "[ . 1 . 2]" 1
663 1 48 GLU HA 1 48 GLU QB 2.300 . 2.800 2.387 2.368 2.423 . 0 0 "[ . 1 . 2]" 1
664 1 48 GLU HA 1 48 GLU QG 2.300 . 2.800 2.741 2.291 2.889 0.089 11 0 "[ . 1 . 2]" 1
665 1 49 MET HA 1 49 MET QB 2.300 . 2.800 2.383 2.353 2.404 . 0 0 "[ . 1 . 2]" 1
666 1 49 MET HA 1 49 MET QG 2.300 . 2.800 2.462 2.346 2.582 . 0 0 "[ . 1 . 2]" 1
667 1 49 MET HA 1 49 MET ME 2.550 . 3.800 3.863 3.807 4.015 0.215 9 0 "[ . 1 . 2]" 1
668 1 49 MET HA 1 66 PHE HZ 2.550 . 3.300 3.006 2.599 3.284 . 0 0 "[ . 1 . 2]" 1
669 1 49 MET QB 1 49 MET QG 2.300 . 2.800 2.070 2.048 2.105 . 0 0 "[ . 1 . 2]" 1
670 1 46 VAL HA 1 49 MET QB 2.550 . 3.300 2.406 2.297 2.728 . 0 0 "[ . 1 . 2]" 1
671 1 46 VAL QG 1 49 MET QG 2.550 . 3.800 3.698 3.472 3.924 0.124 13 0 "[ . 1 . 2]" 1
672 1 14 PHE QE 1 49 MET ME 3.400 . 5.500 5.088 4.671 5.534 0.034 8 0 "[ . 1 . 2]" 1
673 1 49 MET HA 1 52 GLU QB 2.550 . 3.300 3.001 2.707 3.353 0.053 9 0 "[ . 1 . 2]" 1
674 1 50 ILE HA 1 66 PHE HZ 3.400 . 5.000 4.519 3.978 4.990 . 0 0 "[ . 1 . 2]" 1
675 1 50 ILE HA 1 50 ILE MG 2.300 . 3.300 2.866 2.771 3.077 . 0 0 "[ . 1 . 2]" 1
676 1 50 ILE HA 1 50 ILE QG 2.300 . 2.800 2.239 2.115 2.324 . 0 0 "[ . 1 . 2]" 1
677 1 50 ILE HA 1 50 ILE HB 2.300 . 2.800 2.886 2.784 2.923 0.123 6 0 "[ . 1 . 2]" 1
678 1 50 ILE HA 1 50 ILE MD 2.300 . 3.300 2.431 2.210 2.858 . 0 0 "[ . 1 . 2]" 1
679 1 50 ILE HB 1 50 ILE MD 2.300 . 3.300 2.226 2.128 2.263 . 0 0 "[ . 1 . 2]" 1
680 1 50 ILE HB 1 50 ILE MG 2.300 . 3.300 2.134 2.130 2.139 . 0 0 "[ . 1 . 2]" 1
681 1 50 ILE HB 1 50 ILE QG 2.300 . 2.800 2.410 2.349 2.525 . 0 0 "[ . 1 . 2]" 1
682 1 50 ILE QG 1 50 ILE MG 2.300 . 3.300 2.084 2.032 2.109 . 0 0 "[ . 1 . 2]" 1
683 1 50 ILE MG 1 51 ARG HA 2.300 . 3.300 2.942 2.859 3.007 . 0 0 "[ . 1 . 2]" 1
684 1 50 ILE MD 1 50 ILE MG 2.300 . 3.300 3.193 2.967 3.247 . 0 0 "[ . 1 . 2]" 1
685 1 46 VAL HA 1 50 ILE MD 2.550 . 3.800 3.641 3.455 3.959 0.159 9 0 "[ . 1 . 2]" 1
686 1 51 ARG HA 1 51 ARG QB 2.300 . 2.800 2.417 2.368 2.497 . 0 0 "[ . 1 . 2]" 1
687 1 48 GLU HA 1 51 ARG QB 2.550 . 3.300 3.110 2.726 3.376 0.076 16 0 "[ . 1 . 2]" 1
688 1 51 ARG QD 1 51 ARG QG 2.300 . 2.800 2.057 2.025 2.112 . 0 0 "[ . 1 . 2]" 1
689 1 51 ARG HA 1 51 ARG QG 2.300 . 2.800 2.369 2.208 2.649 . 0 0 "[ . 1 . 2]" 1
690 1 52 GLU HA 1 52 GLU QB 2.300 . 2.800 2.372 2.351 2.416 . 0 0 "[ . 1 . 2]" 1
691 1 52 GLU QB 1 66 PHE QE 3.400 . 5.000 3.508 3.112 3.979 . 0 0 "[ . 1 . 2]" 1
692 1 52 GLU HA 1 52 GLU QG 2.550 . 3.300 2.643 2.287 2.863 . 0 0 "[ . 1 . 2]" 1
693 1 53 ALA HA 1 53 ALA MB 2.300 . 2.800 2.119 2.102 2.135 . 0 0 "[ . 1 . 2]" 1
694 1 53 ALA HA 1 66 PHE QD 2.550 . 3.300 3.494 3.407 3.593 0.293 9 0 "[ . 1 . 2]" 1
695 1 50 ILE HA 1 53 ALA MB 2.550 . 3.800 2.167 2.045 2.252 . 0 0 "[ . 1 . 2]" 1
696 1 53 ALA MB 1 55 ILE QG 2.300 . 3.300 3.037 2.751 3.315 0.015 5 0 "[ . 1 . 2]" 1
697 1 53 ALA MB 1 66 PHE QE 2.300 . 3.300 2.194 2.062 2.303 . 0 0 "[ . 1 . 2]" 1
698 1 54 ASP HA 1 54 ASP QB 2.300 . 2.800 2.414 2.268 2.523 . 0 0 "[ . 1 . 2]" 1
699 1 54 ASP QB 1 61 VAL QG 2.300 . 3.300 2.184 1.983 2.402 . 0 0 "[ . 1 . 2]" 1
700 1 55 ILE HA 1 55 ILE MG 2.300 . 3.300 2.226 2.162 2.267 . 0 0 "[ . 1 . 2]" 1
701 1 55 ILE HB 1 55 ILE MG 2.300 . 3.300 2.118 2.099 2.134 . 0 0 "[ . 1 . 2]" 1
702 1 55 ILE HB 1 55 ILE QG 2.300 . 2.800 2.453 2.404 2.561 . 0 0 "[ . 1 . 2]" 1
703 1 55 ILE HA 1 55 ILE QG 2.550 . 3.300 2.487 2.381 2.713 . 0 0 "[ . 1 . 2]" 1
704 1 55 ILE MG 1 58 ASP HA 3.400 . 5.500 5.661 5.182 5.891 0.391 17 0 "[ . 1 . 2]" 1
705 1 55 ILE MG 1 59 GLY QA 2.300 . 3.300 2.712 2.177 3.323 0.023 6 0 "[ . 1 . 2]" 1
706 1 55 ILE MD 1 55 ILE MG 2.300 . 3.300 2.220 1.893 2.999 . 0 0 "[ . 1 . 2]" 1
707 1 50 ILE HA 1 55 ILE MD 2.550 . 3.800 3.189 2.437 3.653 . 0 0 "[ . 1 . 2]" 1
708 1 55 ILE HB 1 55 ILE MD 2.300 . 3.300 2.261 2.125 2.339 . 0 0 "[ . 1 . 2]" 1
709 1 50 ILE HB 1 55 ILE MD 2.550 . 3.800 4.052 3.915 4.191 0.391 19 0 "[ . 1 . 2]" 1
710 1 55 ILE MG 1 57 GLY QA 2.550 . 3.800 3.558 3.046 3.815 0.015 16 0 "[ . 1 . 2]" 1
711 1 58 ASP HA 1 58 ASP QB 2.300 . 2.800 2.384 2.178 2.419 . 0 0 "[ . 1 . 2]" 1
712 1 60 GLN HA 1 60 GLN QB 2.300 . 2.800 2.187 2.156 2.293 . 0 0 "[ . 1 . 2]" 1
713 1 24 TYR QD 1 60 GLN QB 2.550 . 3.300 3.375 3.212 3.406 0.106 9 0 "[ . 1 . 2]" 1
714 1 24 TYR QD 1 60 GLN QG 3.400 . 5.000 4.238 3.530 5.074 0.074 6 0 "[ . 1 . 2]" 1
715 1 58 ASP QB 1 60 GLN QG 2.300 . 2.800 2.256 2.014 2.860 0.060 5 0 "[ . 1 . 2]" 1
716 1 60 GLN HA 1 60 GLN QG 2.550 . 3.300 3.230 2.790 3.335 0.035 12 0 "[ . 1 . 2]" 1
717 1 61 VAL HA 1 61 VAL QG 2.300 . 3.300 2.078 2.047 2.096 . 0 0 "[ . 1 . 2]" 1
718 1 61 VAL HA 1 61 VAL HB 2.550 . 3.300 3.002 2.965 3.008 . 0 0 "[ . 1 . 2]" 1
719 1 30 LEU QB 1 61 VAL QG 2.300 . 3.300 3.244 2.982 3.443 0.143 4 0 "[ . 1 . 2]" 1
720 1 61 VAL QG 1 63 TYR HA 2.300 . 3.300 3.208 3.117 3.319 0.019 5 0 "[ . 1 . 2]" 1
721 1 25 ILE MG 1 61 VAL QG 2.300 . 3.300 3.423 3.333 3.492 0.192 20 0 "[ . 1 . 2]" 1
722 1 14 PHE QE 1 61 VAL QG 3.400 . 5.500 4.323 4.121 4.519 . 0 0 "[ . 1 . 2]" 1
723 1 61 VAL QG 1 66 PHE QD 2.550 . 3.800 2.647 2.492 2.868 . 0 0 "[ . 1 . 2]" 1
724 1 61 VAL QG 1 66 PHE QE 2.550 . 3.800 2.362 2.247 2.672 . 0 0 "[ . 1 . 2]" 1
725 1 54 ASP HA 1 61 VAL QG 3.400 . 5.500 4.136 3.923 4.338 . 0 0 "[ . 1 . 2]" 1
726 1 24 TYR QD 1 62 ASN HA 2.550 . 3.300 3.018 2.864 3.116 . 0 0 "[ . 1 . 2]" 1
727 1 62 ASN HA 1 62 ASN QB 2.300 . 2.800 2.223 2.160 2.414 . 0 0 "[ . 1 . 2]" 1
728 1 24 TYR QE 1 62 ASN QB 2.550 . 3.300 2.368 2.292 2.528 . 0 0 "[ . 1 . 2]" 1
729 1 63 TYR HA 1 66 PHE QD 2.300 . 2.800 2.840 2.574 2.928 0.128 9 0 "[ . 1 . 2]" 1
730 1 63 TYR HA 1 63 TYR QB 2.300 . 2.800 2.179 2.171 2.184 . 0 0 "[ . 1 . 2]" 1
731 1 63 TYR QB 1 63 TYR QD 2.300 . 2.800 2.150 2.145 2.155 . 0 0 "[ . 1 . 2]" 1
732 1 14 PHE QD 1 63 TYR QB 2.550 . 3.300 2.310 2.221 2.523 . 0 0 "[ . 1 . 2]" 1
733 1 14 PHE QB 1 63 TYR QB 2.300 . 2.800 2.453 2.122 2.719 . 0 0 "[ . 1 . 2]" 1
734 1 63 TYR QD 1 64 GLU HA 2.550 . 3.300 2.979 2.855 3.071 . 0 0 "[ . 1 . 2]" 1
735 1 63 TYR QE 1 64 GLU HA 3.400 . 5.000 3.967 3.765 4.147 . 0 0 "[ . 1 . 2]" 1
736 1 64 GLU HA 1 67 VAL HB 2.550 . 2.800 2.823 2.721 2.882 0.082 2 0 "[ . 1 . 2]" 1
737 1 64 GLU HA 1 67 VAL QG 2.550 . 3.800 3.206 2.947 3.352 . 0 0 "[ . 1 . 2]" 1
738 1 64 GLU QB 1 64 GLU QG 2.300 . 2.800 2.076 2.025 2.110 . 0 0 "[ . 1 . 2]" 1
739 1 64 GLU HA 1 64 GLU QG 2.300 . 2.800 2.452 2.267 2.915 0.115 4 0 "[ . 1 . 2]" 1
740 1 66 PHE HA 1 69 MET QG 2.550 . 3.300 3.402 3.283 3.490 0.190 13 0 "[ . 1 . 2]" 1
741 1 66 PHE HA 1 66 PHE QB 2.300 . 2.800 2.516 2.492 2.529 . 0 0 "[ . 1 . 2]" 1
742 1 66 PHE HA 1 69 MET ME 2.300 . 3.300 2.691 2.061 3.451 0.151 7 0 "[ . 1 . 2]" 1
743 1 66 PHE HA 1 66 PHE QD 2.300 . 2.800 2.453 2.331 2.705 . 0 0 "[ . 1 . 2]" 1
744 1 66 PHE QB 1 66 PHE QD 2.300 . 2.800 2.170 2.155 2.178 . 0 0 "[ . 1 . 2]" 1
745 1 63 TYR HA 1 66 PHE QB 2.300 . 2.800 2.431 2.319 2.540 . 0 0 "[ . 1 . 2]" 1
746 1 67 VAL HA 1 70 MET QB 2.550 . 3.300 2.431 2.336 2.529 . 0 0 "[ . 1 . 2]" 1
747 1 67 VAL HA 1 67 VAL QG 2.300 . 3.300 2.036 2.015 2.054 . 0 0 "[ . 1 . 2]" 1
748 1 67 VAL HA 1 67 VAL HB 2.550 . 3.300 3.021 3.016 3.026 . 0 0 "[ . 1 . 2]" 1
749 1 10 ILE MD 1 67 VAL HA 3.400 . 5.500 4.808 3.290 5.511 0.011 2 0 "[ . 1 . 2]" 1
750 1 63 TYR QD 1 67 VAL QG 2.300 . 3.300 2.346 2.265 2.566 . 0 0 "[ . 1 . 2]" 1
751 1 10 ILE HB 1 67 VAL QG 2.300 . 3.300 2.843 2.186 3.236 . 0 0 "[ . 1 . 2]" 1
752 1 14 PHE QB 1 67 VAL QG 2.550 . 3.800 3.779 3.445 3.945 0.145 14 0 "[ . 1 . 2]" 1
753 1 14 PHE QD 1 67 VAL QG 2.300 . 3.300 2.951 2.435 3.287 . 0 0 "[ . 1 . 2]" 1
754 1 68 GLN HA 1 68 GLN QG 2.300 . 2.800 2.575 2.280 2.829 0.029 19 0 "[ . 1 . 2]" 1
755 1 68 GLN HA 1 68 GLN QB 2.300 . 2.800 2.405 2.379 2.458 . 0 0 "[ . 1 . 2]" 1
756 1 68 GLN QB 1 68 GLN QG 2.300 . 2.800 2.059 2.026 2.107 . 0 0 "[ . 1 . 2]" 1
757 1 69 MET HA 1 69 MET QG 2.300 . 2.800 2.534 2.267 2.783 . 0 0 "[ . 1 . 2]" 1
758 1 66 PHE HA 1 69 MET QB 2.550 . 2.800 2.551 2.273 3.008 0.208 9 0 "[ . 1 . 2]" 1
759 1 69 MET HA 1 69 MET QB 2.300 . 2.800 2.322 2.213 2.424 . 0 0 "[ . 1 . 2]" 1
760 1 69 MET QB 1 69 MET QG 2.300 . 2.800 2.089 2.071 2.103 . 0 0 "[ . 1 . 2]" 1
761 1 66 PHE QD 1 69 MET ME 2.300 . 3.300 2.447 2.062 3.117 . 0 0 "[ . 1 . 2]" 1
762 1 52 GLU QG 1 69 MET ME 2.550 . 3.800 3.060 2.220 3.831 0.031 9 0 "[ . 1 . 2]" 1
763 1 49 MET HA 1 69 MET ME 2.550 . 3.800 3.887 3.660 4.043 0.243 9 0 "[ . 1 . 2]" 1
764 1 70 MET HA 1 70 MET QB 2.550 . 2.800 2.436 2.370 2.542 . 0 0 "[ . 1 . 2]" 1
765 1 67 VAL MG2 1 70 MET QB 2.550 . 3.800 3.899 3.827 3.973 0.173 4 0 "[ . 1 . 2]" 1
766 1 67 VAL QG 1 70 MET ME 2.550 . 3.800 3.963 3.787 4.180 0.380 6 0 "[ . 1 . 2]" 1
767 1 66 PHE QB 1 70 MET ME 2.550 . 3.800 2.606 2.284 3.830 0.030 10 0 "[ . 1 . 2]" 1
768 1 14 PHE HZ 1 70 MET ME 2.300 . 3.300 2.392 2.172 2.988 . 0 0 "[ . 1 . 2]" 1
769 1 71 THR HA 1 71 THR MG 2.300 . 3.300 2.316 2.139 2.425 . 0 0 "[ . 1 . 2]" 1
770 1 68 GLN HA 1 71 THR HB 3.400 . 5.000 3.884 2.672 4.621 . 0 0 "[ . 1 . 2]" 1
771 1 71 THR HB 1 71 THR MG 2.300 . 3.300 2.132 2.105 2.148 . 0 0 "[ . 1 . 2]" 1
772 1 7 GLU QB 1 71 THR MG 2.300 . 3.300 3.099 2.270 3.654 0.354 5 0 "[ . 1 . 2]" 1
773 1 72 ALA HA 1 72 ALA MB 2.300 . 2.800 2.137 2.108 2.143 . 0 0 "[ . 1 . 2]" 1
774 1 69 MET HA 1 72 ALA MB 2.550 . 3.800 2.718 2.284 3.501 . 0 0 "[ . 1 . 2]" 1
775 1 73 LYS HA 1 73 LYS QG 2.550 . 3.300 2.468 2.260 3.414 0.114 12 0 "[ . 1 . 2]" 1
776 1 73 LYS HA 1 73 LYS QD 2.550 . 3.300 2.392 2.191 3.414 0.114 11 0 "[ . 1 . 2]" 1
777 1 73 LYS HA 1 73 LYS QB 2.300 . 2.800 2.467 2.165 2.546 . 0 0 "[ . 1 . 2]" 1
778 1 73 LYS QB 1 73 LYS QG 2.300 . 2.800 2.040 2.010 2.048 . 0 0 "[ . 1 . 2]" 1
779 1 70 MET HA 1 73 LYS QB 3.400 . 5.000 4.978 4.616 5.223 0.223 4 0 "[ . 1 . 2]" 1
780 1 73 LYS QD 1 73 LYS QE 2.300 . 2.800 2.050 2.021 2.108 . 0 0 "[ . 1 . 2]" 1
781 1 73 LYS QD 1 73 LYS QG 2.300 . 2.800 2.096 2.049 2.112 . 0 0 "[ . 1 . 2]" 1
782 1 73 LYS QE 1 73 LYS QG 2.300 . 2.800 2.252 2.122 2.398 . 0 0 "[ . 1 . 2]" 1
783 2 31 ASP H 2 32 ILE H 3.400 . 5.000 2.837 2.376 3.788 . 0 0 "[ . 1 . 2]" 1
784 2 30 PHE QB 2 31 ASP H 3.400 . 5.000 3.047 2.004 3.874 . 0 0 "[ . 1 . 2]" 1
785 2 31 ASP H 2 31 ASP QB 3.400 . 5.000 2.841 2.245 3.363 . 0 0 "[ . 1 . 2]" 1
786 2 30 PHE QB 2 32 ILE H 3.400 . 5.000 2.919 2.433 3.648 . 0 0 "[ . 1 . 2]" 1
787 2 32 ILE H 2 32 ILE QG 3.400 . 5.000 2.605 2.158 3.202 . 0 0 "[ . 1 . 2]" 1
788 2 31 ASP QB 2 32 ILE H 3.400 . 5.000 3.878 3.403 4.054 . 0 0 "[ . 1 . 2]" 1
789 2 32 ILE H 2 32 ILE MG 3.400 . 5.000 2.878 1.791 3.799 0.009 4 0 "[ . 1 . 2]" 1
790 2 32 ILE H 2 32 ILE HA 2.550 . 3.300 2.940 2.815 2.966 . 0 0 "[ . 1 . 2]" 1
791 2 32 ILE H 2 33 ASP H 3.400 . 5.000 4.452 4.282 4.613 . 0 0 "[ . 1 . 2]" 1
792 2 32 ILE HB 2 33 ASP H 3.400 . 5.000 3.183 2.481 4.339 . 0 0 "[ . 1 . 2]" 1
793 2 32 ILE QG 2 33 ASP H 3.400 . 5.000 3.386 2.761 4.126 . 0 0 "[ . 1 . 2]" 1
794 2 32 ILE MG 2 33 ASP H 3.400 . 5.000 3.465 2.433 4.074 . 0 0 "[ . 1 . 2]" 1
795 2 32 ILE HA 2 33 ASP H 2.550 . 3.300 2.324 2.160 2.469 . 0 0 "[ . 1 . 2]" 1
796 2 33 ASP H 2 33 ASP QB 3.400 . 5.000 2.381 2.277 2.705 . 0 0 "[ . 1 . 2]" 1
797 2 34 MET H 2 35 ASP QB 3.400 . 5.000 4.429 4.084 4.829 . 0 0 "[ . 1 . 2]" 1
798 2 34 MET H 2 34 MET QB 3.400 . 5.000 2.405 2.347 2.582 . 0 0 "[ . 1 . 2]" 1
799 2 34 MET H 2 35 ASP H 3.400 . 5.000 2.500 2.059 2.658 . 0 0 "[ . 1 . 2]" 1
800 2 35 ASP H 2 36 ALA MB 3.400 . 5.500 4.205 3.839 4.393 . 0 0 "[ . 1 . 2]" 1
801 2 35 ASP H 2 36 ALA H 2.550 . 3.300 2.655 2.452 2.770 . 0 0 "[ . 1 . 2]" 1
802 2 35 ASP H 2 35 ASP HA 2.550 . 3.300 2.838 2.803 2.918 . 0 0 "[ . 1 . 2]" 1
803 2 34 MET HA 2 35 ASP H 3.400 . 5.000 3.454 3.282 3.533 . 0 0 "[ . 1 . 2]" 1
804 2 35 ASP H 2 35 ASP QB 2.550 . 3.300 2.380 2.246 2.605 . 0 0 "[ . 1 . 2]" 1
805 2 34 MET QB 2 35 ASP H 3.400 . 5.000 2.873 2.556 3.366 . 0 0 "[ . 1 . 2]" 1
806 2 36 ALA H 2 39 THR HB 3.400 . 5.000 4.191 3.560 4.651 . 0 0 "[ . 1 . 2]" 1
807 2 36 ALA H 2 37 PRO QD 3.400 . 5.000 4.304 4.082 4.428 . 0 0 "[ . 1 . 2]" 1
808 2 35 ASP QB 2 36 ALA H 3.400 . 5.000 3.053 2.556 3.901 . 0 0 "[ . 1 . 2]" 1
809 2 36 ALA H 2 36 ALA MB 2.550 . 3.800 2.174 2.011 2.352 . 0 0 "[ . 1 . 2]" 1
810 2 38 GLU H 2 39 THR H 2.300 . 2.800 2.720 2.679 2.805 0.005 19 0 "[ . 1 . 2]" 1
811 2 37 PRO HA 2 38 GLU H 3.400 . 5.000 3.506 3.461 3.549 . 0 0 "[ . 1 . 2]" 1
812 2 37 PRO QB 2 38 GLU H 3.400 . 5.000 2.986 2.625 3.417 . 0 0 "[ . 1 . 2]" 1
813 2 36 ALA MB 2 38 GLU H 3.400 . 5.500 2.810 2.558 3.188 . 0 0 "[ . 1 . 2]" 1
814 2 38 GLU H 2 40 GLU H 3.400 . 5.000 4.331 4.218 4.547 . 0 0 "[ . 1 . 2]" 1
815 2 38 GLU H 2 38 GLU QB 2.550 . 3.300 2.359 2.243 2.427 . 0 0 "[ . 1 . 2]" 1
816 2 36 ALA HA 2 38 GLU H 3.400 . 5.000 3.879 3.606 4.102 . 0 0 "[ . 1 . 2]" 1
817 2 37 PRO QD 2 38 GLU H 3.400 . 5.000 2.774 2.586 2.910 . 0 0 "[ . 1 . 2]" 1
818 2 39 THR H 2 41 ARG H 3.400 . 5.000 4.095 3.977 4.210 . 0 0 "[ . 1 . 2]" 1
819 2 38 GLU HA 2 39 THR H 3.400 . 5.000 3.549 3.525 3.576 . 0 0 "[ . 1 . 2]" 1
820 2 36 ALA MB 2 39 THR H 3.400 . 5.500 2.641 2.237 2.945 . 0 0 "[ . 1 . 2]" 1
821 2 39 THR H 2 39 THR MG 3.400 . 5.500 3.752 3.741 3.764 . 0 0 "[ . 1 . 2]" 1
822 2 39 THR H 2 40 GLU H 2.550 . 3.300 2.727 2.658 2.788 . 0 0 "[ . 1 . 2]" 1
823 2 39 THR H 2 39 THR HB 3.400 . 5.000 2.528 2.501 2.550 . 0 0 "[ . 1 . 2]" 1
824 2 38 GLU QB 2 39 THR H 2.550 . 3.300 2.677 2.528 3.459 0.159 3 0 "[ . 1 . 2]" 1
825 2 39 THR MG 2 40 GLU H 3.400 . 5.500 3.404 3.274 3.492 . 0 0 "[ . 1 . 2]" 1
826 2 39 THR HA 2 40 GLU H 3.400 . 5.000 3.559 3.543 3.575 . 0 0 "[ . 1 . 2]" 1
827 2 40 GLU H 2 41 ARG H 2.550 . 3.300 2.647 2.546 2.712 . 0 0 "[ . 1 . 2]" 1
828 2 39 THR HB 2 40 GLU H 3.400 . 5.000 2.501 2.426 2.617 . 0 0 "[ . 1 . 2]" 1
829 2 40 GLU H 2 40 GLU QB 2.550 . 3.300 2.308 2.249 2.380 . 0 0 "[ . 1 . 2]" 1
830 2 36 ALA MB 2 40 GLU H 3.400 . 5.500 4.513 4.013 4.732 . 0 0 "[ . 1 . 2]" 1
831 2 41 ARG H 2 41 ARG QG 3.400 . 5.000 2.787 2.243 4.007 . 0 0 "[ . 1 . 2]" 1
832 2 41 ARG H 2 41 ARG QD 3.400 . 5.000 3.935 2.087 4.525 . 0 0 "[ . 1 . 2]" 1
833 2 37 PRO HA 2 41 ARG H 3.400 . 5.000 4.195 3.811 4.682 . 0 0 "[ . 1 . 2]" 1
834 2 41 ARG H 2 41 ARG QB 2.550 . 3.300 2.310 2.100 2.399 . 0 0 "[ . 1 . 2]" 1
835 2 40 GLU QB 2 41 ARG H 3.400 . 5.000 2.537 2.474 2.594 . 0 0 "[ . 1 . 2]" 1
836 2 41 ARG H 2 41 ARG HA 2.550 . 3.300 2.820 2.803 2.835 . 0 0 "[ . 1 . 2]" 1
837 2 40 GLU HA 2 41 ARG H 3.400 . 5.000 3.539 3.511 3.556 . 0 0 "[ . 1 . 2]" 1
838 2 39 THR HA 2 41 ARG H 3.400 . 5.000 4.468 4.357 4.577 . 0 0 "[ . 1 . 2]" 1
839 2 38 GLU HA 2 41 ARG H 3.400 . 5.000 3.475 3.363 3.623 . 0 0 "[ . 1 . 2]" 1
840 2 41 ARG H 2 42 ALA H 2.300 . 2.800 2.662 2.603 2.738 . 0 0 "[ . 1 . 2]" 1
841 2 42 ALA H 2 42 ALA MB 2.300 . 3.300 2.168 2.114 2.236 . 0 0 "[ . 1 . 2]" 1
842 2 41 ARG QB 2 42 ALA H 2.550 . 3.300 2.567 2.385 2.630 . 0 0 "[ . 1 . 2]" 1
843 2 42 ALA H 2 42 ALA HA 2.550 . 3.300 2.819 2.809 2.839 . 0 0 "[ . 1 . 2]" 1
844 2 39 THR HA 2 42 ALA H 3.400 . 5.000 3.492 3.385 3.608 . 0 0 "[ . 1 . 2]" 1
845 2 42 ALA H 2 44 VAL H 3.400 . 5.000 4.158 4.126 4.194 . 0 0 "[ . 1 . 2]" 1
846 2 41 ARG HA 2 42 ALA H 3.400 . 5.000 3.539 3.525 3.557 . 0 0 "[ . 1 . 2]" 1
847 2 40 GLU HA 2 42 ALA H 3.400 . 5.000 4.413 4.346 4.520 . 0 0 "[ . 1 . 2]" 1
848 2 38 GLU HA 2 42 ALA H 3.400 . 5.000 3.991 3.599 4.297 . 0 0 "[ . 1 . 2]" 1
849 2 40 GLU HA 2 43 ALA H 3.400 . 5.000 3.481 3.405 3.542 . 0 0 "[ . 1 . 2]" 1
850 2 42 ALA HA 2 43 ALA H 3.400 . 5.000 3.535 3.526 3.543 . 0 0 "[ . 1 . 2]" 1
851 2 43 ALA H 2 43 ALA MB 2.550 . 3.800 2.167 2.025 2.233 . 0 0 "[ . 1 . 2]" 1
852 2 42 ALA MB 2 43 ALA H 2.550 . 3.800 2.588 2.510 2.658 . 0 0 "[ . 1 . 2]" 1
853 2 42 ALA H 2 43 ALA H 2.300 . 2.800 2.664 2.606 2.693 . 0 0 "[ . 1 . 2]" 1
854 2 43 ALA H 2 44 VAL H 2.300 . 2.800 2.673 2.647 2.698 . 0 0 "[ . 1 . 2]" 1
855 2 44 VAL H 2 44 VAL QG 3.400 . 3.800 2.236 2.165 2.629 . 0 0 "[ . 1 . 2]" 1
856 2 41 ARG HA 2 44 VAL H 3.400 . 5.000 3.431 3.353 3.513 . 0 0 "[ . 1 . 2]" 1
857 2 43 ALA MB 2 44 VAL H 2.550 . 3.800 2.553 2.499 2.697 . 0 0 "[ . 1 . 2]" 1
858 2 44 VAL H 2 44 VAL HB 2.550 . 3.300 2.395 2.229 2.414 . 0 0 "[ . 1 . 2]" 1
859 2 44 VAL H 2 45 ALA H 2.300 . 2.800 2.765 2.655 2.806 0.006 14 0 "[ . 1 . 2]" 1
860 2 43 ALA HA 2 44 VAL H 3.400 . 5.000 3.540 3.532 3.561 . 0 0 "[ . 1 . 2]" 1
861 2 44 VAL HB 2 45 ALA H 3.400 . 5.000 2.617 2.502 3.666 . 0 0 "[ . 1 . 2]" 1
862 2 44 VAL QG 2 45 ALA H 3.400 . 5.500 3.015 1.962 3.114 . 0 0 "[ . 1 . 2]" 1
863 2 45 ALA H 2 46 ILE H 2.300 . 2.800 2.765 2.698 2.796 . 0 0 "[ . 1 . 2]" 1
864 2 45 ALA H 2 45 ALA MB 2.550 . 3.800 2.164 2.041 2.239 . 0 0 "[ . 1 . 2]" 1
865 2 43 ALA H 2 45 ALA H 3.400 . 5.000 4.331 4.218 4.421 . 0 0 "[ . 1 . 2]" 1
866 2 44 VAL HA 2 45 ALA H 3.400 . 5.000 3.569 3.537 3.576 . 0 0 "[ . 1 . 2]" 1
867 2 41 ARG HA 2 45 ALA H 3.400 . 5.000 4.421 4.064 4.701 . 0 0 "[ . 1 . 2]" 1
868 2 43 ALA HA 2 45 ALA H 3.400 . 5.000 4.561 4.430 4.623 . 0 0 "[ . 1 . 2]" 1
869 2 46 ILE H 2 47 GLN H 2.550 . 2.800 2.683 2.635 2.724 . 0 0 "[ . 1 . 2]" 1
870 2 46 ILE H 2 46 ILE MD 3.400 . 5.500 3.417 3.353 3.472 . 0 0 "[ . 1 . 2]" 1
871 2 46 ILE H 2 46 ILE QG 2.550 . 3.300 2.231 2.129 2.284 . 0 0 "[ . 1 . 2]" 1
872 2 46 ILE H 2 46 ILE MG 3.400 . 5.500 3.730 3.717 3.742 . 0 0 "[ . 1 . 2]" 1
873 2 45 ALA HA 2 46 ILE H 3.400 . 5.000 3.561 3.550 3.569 . 0 0 "[ . 1 . 2]" 1
874 2 42 ALA HA 2 46 ILE H 3.400 . 5.000 4.332 4.179 4.499 . 0 0 "[ . 1 . 2]" 1
875 2 43 ALA HA 2 46 ILE H 3.400 . 5.000 3.683 3.609 3.788 . 0 0 "[ . 1 . 2]" 1
876 2 44 VAL HA 2 46 ILE H 3.400 . 5.000 4.591 4.453 4.654 . 0 0 "[ . 1 . 2]" 1
877 2 46 ILE H 2 46 ILE HA 2.300 . 2.800 2.829 2.822 2.840 0.040 15 0 "[ . 1 . 2]" 1
878 2 46 ILE H 2 46 ILE HB 2.550 . 3.300 2.397 2.359 2.433 . 0 0 "[ . 1 . 2]" 1
879 2 45 ALA MB 2 46 ILE H 3.400 . 5.500 2.485 2.394 2.613 . 0 0 "[ . 1 . 2]" 1
880 2 43 ALA H 2 46 ILE H 3.400 . 5.000 5.002 4.897 5.052 0.052 4 0 "[ . 1 . 2]" 1
881 2 46 ILE MG 2 47 GLN H 3.400 . 5.500 3.192 3.114 3.245 . 0 0 "[ . 1 . 2]" 1
882 2 47 GLN H 2 47 GLN QB 3.400 . 5.000 2.333 2.297 2.380 . 0 0 "[ . 1 . 2]" 1
883 2 47 GLN H 2 47 GLN QG 3.400 . 5.000 2.285 2.197 2.351 . 0 0 "[ . 1 . 2]" 1
884 2 45 ALA HA 2 47 GLN H 3.400 . 5.000 4.659 4.575 4.778 . 0 0 "[ . 1 . 2]" 1
885 2 44 VAL HA 2 47 GLN H 3.400 . 5.000 3.638 3.557 3.719 . 0 0 "[ . 1 . 2]" 1
886 2 47 GLN H 2 48 SER H 2.300 . 2.800 2.660 2.620 2.704 . 0 0 "[ . 1 . 2]" 1
887 2 46 ILE HB 2 47 GLN H 3.400 . 5.000 2.501 2.439 2.560 . 0 0 "[ . 1 . 2]" 1
888 2 47 GLN H 2 50 PHE H 3.400 . 5.000 4.701 4.548 4.892 . 0 0 "[ . 1 . 2]" 1
889 2 46 ILE HA 2 47 GLN H 3.400 . 5.000 3.550 3.534 3.562 . 0 0 "[ . 1 . 2]" 1
890 2 43 ALA HA 2 47 GLN H 3.400 . 5.000 3.974 3.705 4.259 . 0 0 "[ . 1 . 2]" 1
891 2 47 GLN QB 2 48 SER H 3.400 . 5.000 2.595 2.540 2.683 . 0 0 "[ . 1 . 2]" 1
892 2 47 GLN HA 2 48 SER H 3.400 . 5.000 3.548 3.534 3.557 . 0 0 "[ . 1 . 2]" 1
893 2 48 SER H 2 49 GLN H 2.300 . 2.800 2.698 2.651 2.782 . 0 0 "[ . 1 . 2]" 1
894 2 44 VAL HA 2 48 SER H 3.400 . 5.000 3.700 3.393 4.006 . 0 0 "[ . 1 . 2]" 1
895 2 48 SER H 2 48 SER QB 2.550 . 3.300 2.323 2.252 2.463 . 0 0 "[ . 1 . 2]" 1
896 2 45 ALA HA 2 48 SER H 3.400 . 5.000 3.598 3.454 3.778 . 0 0 "[ . 1 . 2]" 1
897 2 48 SER H 2 48 SER HA 2.300 . 2.800 2.817 2.803 2.826 0.026 11 0 "[ . 1 . 2]" 1
898 2 49 GLN H 2 50 PHE H 2.300 . 2.800 2.616 2.534 2.671 . 0 0 "[ . 1 . 2]" 1
899 2 46 ILE HA 2 49 GLN H 3.400 . 5.000 3.712 3.558 3.795 . 0 0 "[ . 1 . 2]" 1
900 2 49 GLN H 2 49 GLN HA 2.550 . 3.300 2.833 2.820 2.849 . 0 0 "[ . 1 . 2]" 1
901 2 49 GLN H 2 49 GLN QB 2.550 . 3.300 2.282 2.102 2.379 . 0 0 "[ . 1 . 2]" 1
902 2 47 GLN HA 2 49 GLN H 3.400 . 5.000 4.478 4.343 4.593 . 0 0 "[ . 1 . 2]" 1
903 2 48 SER HA 2 49 GLN H 3.400 . 5.000 3.547 3.532 3.567 . 0 0 "[ . 1 . 2]" 1
904 2 48 SER QB 2 49 GLN H 3.400 . 5.000 2.566 2.423 3.394 . 0 0 "[ . 1 . 2]" 1
905 2 49 GLN QB 2 50 PHE H 3.400 . 5.000 2.666 2.549 2.834 . 0 0 "[ . 1 . 2]" 1
906 2 47 GLN HA 2 50 PHE H 3.400 . 5.000 3.387 3.330 3.533 . 0 0 "[ . 1 . 2]" 1
907 2 49 GLN HA 2 50 PHE H 3.400 . 5.000 3.534 3.520 3.546 . 0 0 "[ . 1 . 2]" 1
908 2 50 PHE H 2 50 PHE HA 2.300 . 2.800 2.802 2.794 2.809 0.009 16 0 "[ . 1 . 2]" 1
909 2 50 PHE H 2 50 PHE QD 3.400 . 5.000 4.195 4.182 4.205 . 0 0 "[ . 1 . 2]" 1
910 2 50 PHE H 2 51 ARG H 2.300 . 2.800 2.790 2.711 2.833 0.033 15 0 "[ . 1 . 2]" 1
911 2 50 PHE H 2 50 PHE QB 2.550 . 3.300 2.270 2.256 2.290 . 0 0 "[ . 1 . 2]" 1
912 2 46 ILE MG 2 50 PHE H 3.400 . 5.500 4.162 3.974 4.371 . 0 0 "[ . 1 . 2]" 1
913 2 51 ARG H 2 53 PHE H 3.400 . 5.000 4.115 4.030 4.197 . 0 0 "[ . 1 . 2]" 1
914 2 48 SER HA 2 51 ARG H 3.400 . 5.000 3.686 3.530 3.800 . 0 0 "[ . 1 . 2]" 1
915 2 51 ARG H 2 51 ARG HA 2.300 . 2.800 2.814 2.800 2.824 0.024 7 0 "[ . 1 . 2]" 1
916 2 50 PHE QB 2 51 ARG H 3.400 . 5.000 2.512 2.445 2.655 . 0 0 "[ . 1 . 2]" 1
917 2 51 ARG H 2 51 ARG HE 3.400 . 5.000 4.546 3.137 5.298 0.298 6 0 "[ . 1 . 2]" 1
918 2 51 ARG H 2 51 ARG QB 2.550 . 3.300 2.317 2.233 2.408 . 0 0 "[ . 1 . 2]" 1
919 2 50 PHE HA 2 51 ARG H 3.400 . 5.000 3.564 3.538 3.573 . 0 0 "[ . 1 . 2]" 1
920 2 50 PHE H 2 52 LYS H 3.400 . 5.000 4.153 4.040 4.290 . 0 0 "[ . 1 . 2]" 1
921 2 53 PHE H 2 54 GLN H 2.550 . 3.300 2.770 2.690 2.916 . 0 0 "[ . 1 . 2]" 1
922 2 53 PHE HA 2 54 GLN H 3.400 . 5.000 3.561 3.533 3.597 . 0 0 "[ . 1 . 2]" 1
923 2 51 ARG HA 2 54 GLN H 3.400 . 5.000 3.566 3.428 3.800 . 0 0 "[ . 1 . 2]" 1
924 2 53 PHE QD 2 54 GLN H 3.400 . 5.000 3.285 3.032 3.628 . 0 0 "[ . 1 . 2]" 1
925 2 54 GLN H 2 55 LYS H 2.550 . 2.800 2.669 2.500 2.744 . 0 0 "[ . 1 . 2]" 1
926 2 54 GLN H 2 54 GLN HA 2.550 . 3.300 2.825 2.806 2.862 . 0 0 "[ . 1 . 2]" 1
927 2 53 PHE QB 2 54 GLN H 3.400 . 5.000 2.450 2.376 2.585 . 0 0 "[ . 1 . 2]" 1
928 2 50 PHE HA 2 54 GLN H 3.400 . 5.000 4.356 4.058 4.679 . 0 0 "[ . 1 . 2]" 1
929 2 54 GLN HA 2 55 LYS H 3.400 . 5.000 3.537 3.472 3.555 . 0 0 "[ . 1 . 2]" 1
930 2 55 LYS H 2 55 LYS QG 3.400 . 5.000 2.821 2.247 3.995 . 0 0 "[ . 1 . 2]" 1
931 2 53 PHE H 2 55 LYS H 3.400 . 5.000 4.127 3.867 4.233 . 0 0 "[ . 1 . 2]" 1
932 2 55 LYS H 2 55 LYS HA 2.300 . 2.800 2.818 2.809 2.837 0.037 7 0 "[ . 1 . 2]" 1
933 2 54 GLN QB 2 55 LYS H 3.400 . 5.000 2.827 2.564 3.585 . 0 0 "[ . 1 . 2]" 1
934 2 56 LYS QB 2 57 LYS H 2.550 . 3.300 2.572 2.398 2.739 . 0 0 "[ . 1 . 2]" 1
935 2 54 GLN HA 2 57 LYS H 3.400 . 5.000 3.432 3.321 3.625 . 0 0 "[ . 1 . 2]" 1
936 2 57 LYS H 2 57 LYS QG 3.400 . 5.000 3.694 2.203 4.048 . 0 0 "[ . 1 . 2]" 1
937 2 57 LYS H 2 57 LYS HA 2.300 . 2.800 2.821 2.802 2.886 0.086 13 0 "[ . 1 . 2]" 1
938 2 57 LYS H 2 57 LYS QB 2.550 . 3.300 2.261 2.078 2.448 . 0 0 "[ . 1 . 2]" 1
939 2 54 GLN HA 2 58 ALA H 3.400 . 5.000 4.293 3.778 4.567 . 0 0 "[ . 1 . 2]" 1
940 2 58 ALA H 2 58 ALA MB 2.550 . 3.800 2.250 2.034 2.766 . 0 0 "[ . 1 . 2]" 1
941 2 56 LYS HA 2 58 ALA H 3.400 . 5.000 4.415 4.025 4.552 . 0 0 "[ . 1 . 2]" 1
942 2 58 ALA H 2 59 GLY H 2.550 . 3.300 2.780 2.453 3.322 0.022 16 0 "[ . 1 . 2]" 1
943 2 58 ALA MB 2 59 GLY H 3.400 . 5.500 3.044 2.555 3.729 . 0 0 "[ . 1 . 2]" 1
944 2 58 ALA HA 2 59 GLY H 3.400 . 5.000 3.264 2.562 3.558 . 0 0 "[ . 1 . 2]" 1
945 2 59 GLY H 2 59 GLY QA 2.550 . 3.300 2.233 2.198 2.503 . 0 0 "[ . 1 . 2]" 1
946 2 60 SER H 2 60 SER QB 3.400 . 5.000 2.731 2.252 3.520 . 0 0 "[ . 1 . 2]" 1
947 2 59 GLY QA 2 60 SER H 3.400 . 5.000 2.510 2.111 2.915 . 0 0 "[ . 1 . 2]" 1
948 2 61 GLN H 2 61 GLN HA 2.550 . 3.300 2.731 2.294 2.961 . 0 0 "[ . 1 . 2]" 1
949 2 30 PHE HA 2 30 PHE QB 2.550 . 2.800 2.232 2.171 2.328 . 0 0 "[ . 1 . 2]" 1
950 2 30 PHE QB 2 30 PHE QD 2.300 . 2.800 2.176 2.152 2.203 . 0 0 "[ . 1 . 2]" 1
951 2 30 PHE QB 2 32 ILE MG 2.550 . 3.800 3.230 2.228 3.932 0.132 6 0 "[ . 1 . 2]" 1
952 2 30 PHE QB 2 34 MET ME 3.400 . 5.500 3.470 2.125 4.750 . 0 0 "[ . 1 . 2]" 1
953 2 31 ASP HA 2 31 ASP QB 2.300 . 2.800 2.368 2.187 2.433 . 0 0 "[ . 1 . 2]" 1
954 2 32 ILE HA 2 32 ILE QG 2.550 . 3.300 2.962 2.323 3.313 0.013 11 0 "[ . 1 . 2]" 1
955 2 32 ILE HA 2 32 ILE MG 2.300 . 3.300 2.456 2.329 2.551 . 0 0 "[ . 1 . 2]" 1
956 2 32 ILE HA 2 32 ILE HB 2.550 . 3.300 2.583 2.308 3.026 . 0 0 "[ . 1 . 2]" 1
957 2 32 ILE HB 2 32 ILE QG 2.550 . 2.800 2.361 2.291 2.461 . 0 0 "[ . 1 . 2]" 1
958 2 32 ILE HB 2 32 ILE MG 2.300 . 3.300 2.125 2.109 2.147 . 0 0 "[ . 1 . 2]" 1
959 2 30 PHE QB 2 32 ILE QG . . 3.300 3.119 2.569 3.524 0.224 15 0 "[ . 1 . 2]" 1
960 2 32 ILE MG 2 34 MET HA 3.400 . 5.500 4.980 3.427 5.704 0.204 5 0 "[ . 1 . 2]" 1
961 2 32 ILE MG 2 33 ASP HA 3.400 . 5.500 5.041 3.901 5.623 0.123 20 0 "[ . 1 . 2]" 1
962 2 32 ILE QG 2 32 ILE MG 2.300 . 3.300 2.269 2.031 2.360 . 0 0 "[ . 1 . 2]" 1
963 2 32 ILE HB 2 32 ILE MD 2.300 . 3.300 2.348 2.216 2.458 . 0 0 "[ . 1 . 2]" 1
964 2 30 PHE QB 2 32 ILE MD 2.550 . 3.800 2.745 2.090 3.666 . 0 0 "[ . 1 . 2]" 1
965 2 33 ASP QB 2 36 ALA MB 2.550 . 3.300 2.463 1.976 3.316 0.016 15 0 "[ . 1 . 2]" 1
966 2 33 ASP HA 2 33 ASP QB 2.300 . 2.800 2.370 2.187 2.419 . 0 0 "[ . 1 . 2]" 1
967 2 34 MET HA 2 39 THR MG 2.300 . 3.300 2.756 2.262 3.329 0.029 16 0 "[ . 1 . 2]" 1
968 2 34 MET HA 2 34 MET QB 2.300 . 2.800 2.385 2.311 2.417 . 0 0 "[ . 1 . 2]" 1
969 2 34 MET HA 2 34 MET ME 3.400 . 5.500 3.950 3.342 4.496 . 0 0 "[ . 1 . 2]" 1
970 2 35 ASP HA 2 35 ASP QB 2.300 . 2.800 2.334 2.183 2.415 . 0 0 "[ . 1 . 2]" 1
971 2 36 ALA HA 2 37 PRO QG 3.400 . 5.000 4.003 3.985 4.043 . 0 0 "[ . 1 . 2]" 1
972 2 36 ALA HA 2 37 PRO QD 2.300 . 2.800 2.090 2.076 2.120 . 0 0 "[ . 1 . 2]" 1
973 2 36 ALA HA 2 37 PRO QB 3.400 . 5.000 4.670 4.622 4.719 . 0 0 "[ . 1 . 2]" 1
974 2 36 ALA MB 2 39 THR HB 3.400 . 5.500 3.442 2.739 3.763 . 0 0 "[ . 1 . 2]" 1
975 2 36 ALA HA 2 36 ALA MB 2.300 . 3.300 2.116 2.092 2.143 . 0 0 "[ . 1 . 2]" 1
976 2 37 PRO HA 2 37 PRO QD 2.550 . 3.300 3.347 3.320 3.379 0.079 15 0 "[ . 1 . 2]" 1
977 2 37 PRO HA 2 37 PRO QG 2.550 . 3.300 3.092 2.821 3.470 0.170 9 0 "[ . 1 . 2]" 1
978 2 37 PRO QB 2 37 PRO QD 2.550 . 3.300 2.764 2.746 2.782 . 0 0 "[ . 1 . 2]" 1
979 2 37 PRO QD 2 37 PRO QG 2.300 . 2.800 1.978 1.974 1.982 . 0 0 "[ . 1 . 2]" 1
980 2 36 ALA MB 2 37 PRO QD 2.550 . 3.800 2.920 2.369 3.247 . 0 0 "[ . 1 . 2]" 1
981 2 38 GLU HA 2 41 ARG QB 2.550 . 3.300 2.495 2.219 2.824 . 0 0 "[ . 1 . 2]" 1
982 2 38 GLU HA 2 41 ARG QG 2.550 . 3.300 3.245 2.995 3.586 0.286 3 0 "[ . 1 . 2]" 1
983 2 38 GLU HA 2 38 GLU QB 2.300 . 2.800 2.376 2.186 2.410 . 0 0 "[ . 1 . 2]" 1
984 2 38 GLU HA 2 38 GLU QG 2.550 . 3.300 2.642 2.267 3.308 0.008 3 0 "[ . 1 . 2]" 1
985 2 38 GLU QB 2 38 GLU QG 2.300 . 2.800 2.064 2.025 2.109 . 0 0 "[ . 1 . 2]" 1
986 2 39 THR HA 2 39 THR MG 2.300 . 3.300 2.295 2.274 2.337 . 0 0 "[ . 1 . 2]" 1
987 2 39 THR HA 2 42 ALA MB 2.300 . 3.300 2.588 2.447 2.892 . 0 0 "[ . 1 . 2]" 1
988 2 39 THR HB 2 39 THR MG 2.300 . 3.300 2.124 2.106 2.148 . 0 0 "[ . 1 . 2]" 1
989 2 39 THR HA 2 39 THR HB 2.550 . 3.300 3.029 3.025 3.031 . 0 0 "[ . 1 . 2]" 1
990 2 40 GLU HA 2 43 ALA MB 2.550 . 3.300 2.762 2.560 2.928 . 0 0 "[ . 1 . 2]" 1
991 2 40 GLU HA 2 40 GLU QB 2.300 . 2.800 2.390 2.366 2.418 . 0 0 "[ . 1 . 2]" 1
992 2 40 GLU HA 2 40 GLU QG 2.300 . 2.800 2.385 2.295 2.879 0.079 8 0 "[ . 1 . 2]" 1
993 2 40 GLU QG 2 44 VAL QG 3.400 . 5.500 3.983 2.585 5.576 0.076 6 0 "[ . 1 . 2]" 1
994 2 41 ARG HA 2 44 VAL HB 2.550 . 3.300 2.897 2.724 3.322 0.022 6 0 "[ . 1 . 2]" 1
995 2 41 ARG HA 2 41 ARG QB 2.550 . 2.800 2.393 2.303 2.517 . 0 0 "[ . 1 . 2]" 1
996 2 41 ARG HA 2 41 ARG QG 2.550 . 3.300 2.711 2.445 3.112 . 0 0 "[ . 1 . 2]" 1
997 2 41 ARG QB 2 41 ARG QD 2.300 . 2.800 2.363 2.194 2.872 0.072 20 0 "[ . 1 . 2]" 1
998 2 41 ARG QB 2 41 ARG QG 2.550 2.100 3.000 2.039 2.005 2.051 0.095 9 0 "[ . 1 . 2]" 1
999 2 41 ARG HA 2 41 ARG QD 2.300 . 2.800 2.255 2.150 2.578 . 0 0 "[ . 1 . 2]" 1
1000 2 42 ALA HA 2 42 ALA MB 2.300 . 3.300 2.131 2.119 2.143 . 0 0 "[ . 1 . 2]" 1
1001 2 42 ALA HA 2 45 ALA MB 2.300 . 3.300 2.948 2.710 3.169 . 0 0 "[ . 1 . 2]" 1
1002 2 43 ALA HA 2 46 ILE MD 3.400 . 5.500 2.954 2.472 3.322 . 0 0 "[ . 1 . 2]" 1
1003 2 43 ALA HA 2 46 ILE HB 2.550 . 3.300 2.965 2.744 3.140 . 0 0 "[ . 1 . 2]" 1
1004 2 43 ALA HA 2 43 ALA MB 2.300 . 3.300 2.130 2.100 2.143 . 0 0 "[ . 1 . 2]" 1
1005 2 43 ALA MB 2 46 ILE MD 3.400 . 5.500 4.160 3.808 4.419 . 0 0 "[ . 1 . 2]" 1
1006 2 40 GLU QG 2 43 ALA MB 3.400 . 5.500 3.916 3.337 4.592 . 0 0 "[ . 1 . 2]" 1
1007 2 44 VAL HA 2 44 VAL QG 2.300 . 3.300 2.069 2.050 2.141 . 0 0 "[ . 1 . 2]" 1
1008 2 44 VAL HA 2 47 GLN QB 2.550 . 3.300 2.636 2.448 2.765 . 0 0 "[ . 1 . 2]" 1
1009 2 44 VAL HA 2 44 VAL HB 2.550 . 3.300 3.003 2.663 3.023 . 0 0 "[ . 1 . 2]" 1
1010 2 45 ALA HA 2 48 SER QB 2.550 . 3.300 2.701 2.443 3.333 0.033 14 0 "[ . 1 . 2]" 1
1011 2 45 ALA HA 2 45 ALA MB 2.300 . 3.300 2.125 2.100 2.140 . 0 0 "[ . 1 . 2]" 1
1012 2 45 ALA MB 2 46 ILE MD 3.400 . 5.500 4.245 4.155 4.406 . 0 0 "[ . 1 . 2]" 1
1013 2 46 ILE HA 2 46 ILE MD 3.400 . 5.500 3.794 3.782 3.812 . 0 0 "[ . 1 . 2]" 1
1014 2 46 ILE HA 2 46 ILE QG 2.300 . 2.800 2.340 2.321 2.368 . 0 0 "[ . 1 . 2]" 1
1015 2 46 ILE HA 2 49 GLN QB 3.400 . 5.000 2.988 2.806 3.188 . 0 0 "[ . 1 . 2]" 1
1016 2 46 ILE HA 2 46 ILE MG 2.300 . 3.300 2.388 2.360 2.424 . 0 0 "[ . 1 . 2]" 1
1017 2 46 ILE HB 2 46 ILE MD 2.550 . 3.800 2.281 2.225 2.333 . 0 0 "[ . 1 . 2]" 1
1018 2 46 ILE HA 2 46 ILE HB 2.550 . 3.300 3.022 3.014 3.031 . 0 0 "[ . 1 . 2]" 1
1019 2 46 ILE HB 2 46 ILE QG . . 2.800 2.422 2.418 2.426 . 0 0 "[ . 1 . 2]" 1
1020 2 46 ILE HB 2 46 ILE MG 2.300 . 3.300 2.144 2.123 2.156 . 0 0 "[ . 1 . 2]" 1
1021 2 46 ILE QG 2 46 ILE MG 2.550 . 3.800 2.265 2.223 2.285 . 0 0 "[ . 1 . 2]" 1
1022 2 46 ILE MG 2 47 GLN QG 2.550 . 3.300 3.232 3.086 3.307 0.007 6 0 "[ . 1 . 2]" 1
1023 2 46 ILE MG 2 47 GLN HA 2.550 . 3.800 3.300 3.239 3.367 . 0 0 "[ . 1 . 2]" 1
1024 2 46 ILE MD 2 46 ILE MG 2.550 . 3.800 1.913 1.832 2.023 . 0 0 "[ . 1 . 2]" 1
1025 2 42 ALA HA 2 46 ILE MD 3.400 . 5.500 4.446 4.024 4.630 . 0 0 "[ . 1 . 2]" 1
1026 2 47 GLN HA 2 47 GLN QB 2.300 . 2.800 2.406 2.384 2.413 . 0 0 "[ . 1 . 2]" 1
1027 2 47 GLN HA 2 47 GLN QG 2.300 . 2.800 2.323 2.255 2.820 0.020 11 0 "[ . 1 . 2]" 1
1028 2 47 GLN HA 2 50 PHE QB 2.550 . 3.300 2.511 2.277 2.851 . 0 0 "[ . 1 . 2]" 1
1029 2 48 SER HA 2 51 ARG QB 2.550 . 3.300 3.181 2.995 3.314 0.014 15 0 "[ . 1 . 2]" 1
1030 2 44 VAL QG 2 48 SER QB 2.550 . 3.800 2.965 2.388 3.748 . 0 0 "[ . 1 . 2]" 1
1031 2 49 GLN HA 2 52 LYS QB 2.550 . 3.300 2.603 2.356 3.009 . 0 0 "[ . 1 . 2]" 1
1032 2 49 GLN HA 2 52 LYS QD 3.400 . 5.000 3.635 2.338 5.034 0.034 9 0 "[ . 1 . 2]" 1
1033 2 49 GLN HA 2 49 GLN QB 2.300 . 2.800 2.422 2.387 2.507 . 0 0 "[ . 1 . 2]" 1
1034 2 49 GLN HA 2 49 GLN QG 2.550 . 3.300 2.642 2.279 2.840 . 0 0 "[ . 1 . 2]" 1
1035 2 50 PHE HA 2 50 PHE QD 2.300 . 2.800 2.316 2.280 2.381 . 0 0 "[ . 1 . 2]" 1
1036 2 50 PHE HA 2 50 PHE QB 2.300 . 2.800 2.326 2.314 2.350 . 0 0 "[ . 1 . 2]" 1
1037 2 50 PHE HA 2 53 PHE QB 2.550 . 3.300 2.654 2.410 2.847 . 0 0 "[ . 1 . 2]" 1
1038 2 50 PHE QB 2 50 PHE QD 2.300 . 2.800 2.178 2.168 2.186 . 0 0 "[ . 1 . 2]" 1
1039 2 46 ILE MG 2 50 PHE QB 2.550 . 3.800 3.458 3.152 3.823 0.023 6 0 "[ . 1 . 2]" 1
1040 2 51 ARG QB 2 51 ARG QD 2.300 . 2.800 2.279 2.124 2.571 . 0 0 "[ . 1 . 2]" 1
1041 2 53 PHE HA 2 53 PHE QD 3.400 . 5.500 2.808 2.644 3.021 . 0 0 "[ . 1 . 2]" 1
1042 2 53 PHE HA 2 56 LYS QB 2.550 . 3.300 3.007 2.845 3.386 0.086 9 0 "[ . 1 . 2]" 1
1043 2 53 PHE QB 2 53 PHE QD 2.300 . 2.800 2.150 2.147 2.154 . 0 0 "[ . 1 . 2]" 1
1044 2 53 PHE HA 2 53 PHE QB 2.300 . 2.800 2.365 2.337 2.397 . 0 0 "[ . 1 . 2]" 1
1045 2 54 GLN HA 2 54 GLN QB 2.300 . 2.800 2.350 2.183 2.408 . 0 0 "[ . 1 . 2]" 1
1046 2 53 PHE QD 2 54 GLN HA 3.400 . 5.000 3.086 2.832 3.368 . 0 0 "[ . 1 . 2]" 1
1047 2 54 GLN HA 2 57 LYS QB 2.550 . 3.300 2.796 2.470 3.085 . 0 0 "[ . 1 . 2]" 1
1048 2 51 ARG HA 2 54 GLN QG 2.550 . 3.300 3.088 2.299 3.425 0.125 14 0 "[ . 1 . 2]" 1
1049 2 50 PHE QE 2 54 GLN QG 3.400 . 5.000 3.584 2.793 4.867 . 0 0 "[ . 1 . 2]" 1
1050 2 53 PHE QD 2 54 GLN QG 3.400 . 5.000 3.408 2.880 4.418 . 0 0 "[ . 1 . 2]" 1
1051 2 54 GLN HA 2 54 GLN QG 2.550 . 3.300 2.684 2.288 3.305 0.005 9 0 "[ . 1 . 2]" 1
1052 2 57 LYS HA 2 57 LYS QG 2.550 . 3.300 2.493 2.150 2.943 . 0 0 "[ . 1 . 2]" 1
1053 2 57 LYS HA 2 57 LYS QB 2.300 . 2.800 2.384 2.356 2.535 . 0 0 "[ . 1 . 2]" 1
1054 2 57 LYS QB 2 57 LYS QG 2.300 . 2.800 2.083 2.027 2.114 . 0 0 "[ . 1 . 2]" 1
1055 2 58 ALA HA 2 58 ALA MB 2.300 . 3.300 2.123 2.100 2.141 . 0 0 "[ . 1 . 2]" 1
1056 2 55 LYS HA 2 58 ALA MB 2.550 . 3.300 2.911 2.188 3.403 0.103 7 0 "[ . 1 . 2]" 1
1057 1 10 ILE MG 2 46 ILE QG 2.300 . 3.300 2.995 2.645 3.270 . 0 0 "[ . 1 . 2]" 1
1058 1 10 ILE MG 2 46 ILE HA 2.550 . 3.800 3.704 3.154 3.910 0.110 1 0 "[ . 1 . 2]" 1
1059 1 10 ILE MG 2 46 ILE MD 3.400 . 5.500 4.054 3.716 4.395 . 0 0 "[ . 1 . 2]" 1
1060 1 10 ILE MG 2 49 GLN QB 3.400 . 5.500 4.040 3.771 4.285 . 0 0 "[ . 1 . 2]" 1
1061 1 10 ILE MD 2 46 ILE MD 3.400 . 5.500 5.008 4.699 5.505 0.005 12 0 "[ . 1 . 2]" 1
1062 1 10 ILE MD 2 46 ILE HA 2.550 . 3.800 3.579 3.110 3.837 0.037 8 0 "[ . 1 . 2]" 1
1063 1 10 ILE MD 2 46 ILE QG 3.400 . 5.500 3.710 3.353 4.217 . 0 0 "[ . 1 . 2]" 1
1064 1 13 ALA MB 2 46 ILE QG 2.550 . 3.800 2.189 1.994 2.726 . 0 0 "[ . 1 . 2]" 1
1065 1 13 ALA MB 2 42 ALA HA 2.300 . 3.300 2.605 2.227 2.945 . 0 0 "[ . 1 . 2]" 1
1066 1 13 ALA MB 2 42 ALA MB 2.550 . 3.800 2.275 2.137 2.445 . 0 0 "[ . 1 . 2]" 1
1067 1 13 ALA MB 2 46 ILE MD 2.550 . 3.800 2.239 2.082 2.661 . 0 0 "[ . 1 . 2]" 1
1068 1 14 PHE HA 2 46 ILE MD 2.300 . 3.300 2.919 2.647 3.212 . 0 0 "[ . 1 . 2]" 1
1069 1 14 PHE H 2 46 ILE MD 3.400 . 5.500 3.649 3.253 4.247 . 0 0 "[ . 1 . 2]" 1
1070 1 16 VAL H 2 42 ALA MB 3.400 . 5.500 4.330 4.175 4.491 . 0 0 "[ . 1 . 2]" 1
1071 1 16 VAL HB 2 42 ALA MB 2.550 . 3.800 3.197 3.018 3.394 . 0 0 "[ . 1 . 2]" 1
1072 1 16 VAL QG 2 32 ILE MG 2.550 . 3.800 3.343 2.929 3.703 . 0 0 "[ . 1 . 2]" 1
1073 1 16 VAL QG 2 32 ILE QG 2.550 . 3.800 3.871 3.668 3.975 0.175 8 0 "[ . 1 . 2]" 1
1074 1 16 VAL QG 2 42 ALA HA 3.400 . 5.500 4.510 4.268 4.694 . 0 0 "[ . 1 . 2]" 1
1075 1 16 VAL QG 2 42 ALA MB 2.550 . 3.800 2.306 2.151 2.458 . 0 0 "[ . 1 . 2]" 1
1076 1 16 VAL QG 2 39 THR HA 2.300 . 3.300 2.267 2.129 2.569 . 0 0 "[ . 1 . 2]" 1
1077 1 16 VAL QG 2 39 THR HB 3.400 . 5.500 3.963 3.653 4.199 . 0 0 "[ . 1 . 2]" 1
1078 1 28 ALA MB 2 30 PHE QE 2.550 . 3.800 3.607 2.830 3.871 0.071 17 0 "[ . 1 . 2]" 1
1079 1 29 GLU H 2 30 PHE HA 3.400 . 5.000 5.007 4.611 5.192 0.192 7 0 "[ . 1 . 2]" 1
1080 1 29 GLU HA 2 30 PHE QD 2.550 . 3.300 2.424 2.328 2.748 . 0 0 "[ . 1 . 2]" 1
1081 1 29 GLU QB 2 30 PHE QD 2.550 . 3.300 2.707 2.127 3.280 . 0 0 "[ . 1 . 2]" 1
1082 1 29 GLU QB 2 32 ILE MD 2.550 . 3.800 3.245 2.123 3.886 0.086 8 0 "[ . 1 . 2]" 1
1083 1 29 GLU QG 2 32 ILE MG 3.400 . 5.000 4.057 2.639 5.132 0.132 9 0 "[ . 1 . 2]" 1
1084 1 32 HIS QB 2 30 PHE HZ 3.400 . 5.000 3.541 2.688 4.877 . 0 0 "[ . 1 . 2]" 1
1085 1 33 VAL QG 2 43 ALA MB 3.400 . 5.000 2.371 2.121 2.577 . 0 0 "[ . 1 . 2]" 1
1086 1 33 VAL QG 2 39 THR MG 3.400 . 5.000 3.362 3.163 3.517 . 0 0 "[ . 1 . 2]" 1
1087 1 33 VAL QG 2 34 MET ME 3.400 . 5.500 3.127 2.603 3.472 . 0 0 "[ . 1 . 2]" 1
1088 1 33 VAL QG 2 43 ALA HA 3.400 . 5.500 3.369 2.982 3.688 . 0 0 "[ . 1 . 2]" 1
1089 1 34 MET ME 2 46 ILE HB 2.300 . 3.300 2.727 2.268 3.310 0.010 11 0 "[ . 1 . 2]" 1
1090 1 34 MET ME 2 46 ILE MG 2.300 . 3.300 1.927 1.822 2.152 . 0 0 "[ . 1 . 2]" 1
1091 1 34 MET ME 2 46 ILE MD 3.400 . 5.500 2.592 2.200 3.106 . 0 0 "[ . 1 . 2]" 1
1092 1 34 MET ME 2 43 ALA MB 3.400 . 5.500 3.988 3.727 4.317 . 0 0 "[ . 1 . 2]" 1
1093 1 34 MET ME 2 43 ALA HA 3.400 . 5.500 3.650 3.304 4.166 . 0 0 "[ . 1 . 2]" 1
1094 1 34 MET ME 2 47 GLN QG 3.400 . 5.500 2.534 2.163 3.207 . 0 0 "[ . 1 . 2]" 1
1095 1 35 THR H 2 34 MET ME 3.400 . 5.500 6.829 6.403 6.975 1.475 3 20 [**+-****************] 1
1096 1 36 ASN QB 2 34 MET ME 2.550 . 3.800 3.509 2.896 3.826 0.026 1 0 "[ . 1 . 2]" 1
1097 1 37 LEU QB 2 40 GLU HA 2.550 . 3.300 2.808 2.436 3.221 . 0 0 "[ . 1 . 2]" 1
1098 1 37 LEU QB 2 43 ALA MB 2.550 . 3.800 2.272 1.958 2.412 . 0 0 "[ . 1 . 2]" 1
1099 1 37 LEU QD 2 40 GLU QG 3.400 . 5.500 2.728 2.194 4.262 . 0 0 "[ . 1 . 2]" 1
1100 1 37 LEU QD 2 39 THR HB 2.550 . 3.800 3.766 3.503 3.838 0.038 11 0 "[ . 1 . 2]" 1
1101 1 37 LEU QD 2 34 MET ME 3.400 . 5.500 2.071 1.816 2.491 . 0 0 "[ . 1 . 2]" 1
1102 1 37 LEU QD 2 40 GLU HA 3.400 . 5.500 3.043 2.570 3.713 . 0 0 "[ . 1 . 2]" 1
1103 1 38 GLY H 2 44 VAL QG 3.400 . 5.500 3.737 3.502 4.674 . 0 0 "[ . 1 . 2]" 1
1104 1 38 GLY H 2 43 ALA MB 2.300 . 3.300 3.075 2.615 3.394 0.094 4 0 "[ . 1 . 2]" 1
1105 1 38 GLY H 2 40 GLU QG 3.400 . 5.000 3.176 1.828 4.261 . 0 0 "[ . 1 . 2]" 1
1106 1 38 GLY QA 2 44 VAL QG 3.400 . 5.500 2.058 1.915 2.593 . 0 0 "[ . 1 . 2]" 1
1107 1 39 GLU H 2 47 GLN QE 3.400 . 5.000 3.407 1.878 4.896 . 0 0 "[ . 1 . 2]" 1
1108 1 39 GLU QG 2 44 VAL QG 3.400 . 5.500 2.955 2.023 4.382 . 0 0 "[ . 1 . 2]" 1
1109 1 40 LYS H 2 47 GLN QE 3.900 . 5.000 3.894 2.690 5.144 0.144 10 0 "[ . 1 . 2]" 1
1110 1 41 LEU H 2 47 GLN QG 3.400 . 5.000 5.007 4.872 5.063 0.063 18 0 "[ . 1 . 2]" 1
1111 1 41 LEU H 2 47 GLN QE 3.400 . 5.000 3.924 3.176 4.780 . 0 0 "[ . 1 . 2]" 1
1112 1 41 LEU HG 2 47 GLN QG 3.400 . 5.000 3.481 3.201 4.710 . 0 0 "[ . 1 . 2]" 1
1113 1 41 LEU HG 2 47 GLN HA 3.400 . 5.000 4.530 4.400 4.659 . 0 0 "[ . 1 . 2]" 1
1114 1 41 LEU HG 2 50 PHE QD 2.550 . 3.300 3.461 3.382 3.554 0.254 18 0 "[ . 1 . 2]" 1
1115 1 41 LEU HG 2 50 PHE QB 3.400 . 5.000 4.602 4.427 4.842 . 0 0 "[ . 1 . 2]" 1
1116 1 41 LEU QD 2 47 GLN HA 2.300 . 3.300 3.326 3.037 3.425 0.125 6 0 "[ . 1 . 2]" 1
1117 1 41 LEU QD 2 50 PHE QB 3.400 . 5.500 3.712 3.546 3.862 . 0 0 "[ . 1 . 2]" 1
1118 1 41 LEU QD 2 47 GLN QG 2.550 . 3.800 2.269 2.063 3.042 . 0 0 "[ . 1 . 2]" 1
1119 1 45 GLU HA 2 50 PHE QE 2.550 . 3.300 3.346 2.989 3.533 0.233 11 0 "[ . 1 . 2]" 1
1120 1 49 MET QG 2 50 PHE HZ 2.550 . 3.300 2.561 2.330 3.058 . 0 0 "[ . 1 . 2]" 1
1121 1 49 MET ME 2 47 GLN HA 2.550 . 3.800 3.657 3.151 3.864 0.064 8 0 "[ . 1 . 2]" 1
1122 1 49 MET ME 2 46 ILE MD 3.400 . 5.500 5.082 4.802 5.416 . 0 0 "[ . 1 . 2]" 1
1123 1 49 MET ME 2 46 ILE MG 2.300 . 3.300 3.099 2.921 3.371 0.071 11 0 "[ . 1 . 2]" 1
1124 1 49 MET ME 2 50 PHE HA 3.400 . 5.500 4.937 4.745 5.216 . 0 0 "[ . 1 . 2]" 1
1125 1 49 MET ME 2 47 GLN QG 3.400 . 5.500 3.553 3.187 4.654 . 0 0 "[ . 1 . 2]" 1
1126 1 49 MET ME 2 50 PHE QD 2.300 . 3.300 3.384 3.314 3.449 0.149 8 0 "[ . 1 . 2]" 1
1127 1 69 MET HA 2 53 PHE QE 2.550 . 3.300 3.368 3.115 3.539 0.239 19 0 "[ . 1 . 2]" 1
1128 1 70 MET QG 2 53 PHE QD 3.400 . 5.000 4.269 3.523 4.658 . 0 0 "[ . 1 . 2]" 1
1129 1 70 MET ME 2 46 ILE HA 3.400 . 5.500 3.021 2.258 3.573 . 0 0 "[ . 1 . 2]" 1
1130 1 70 MET ME 2 46 ILE MG 2.550 . 3.800 2.157 1.975 2.701 . 0 0 "[ . 1 . 2]" 1
1131 1 70 MET ME 2 46 ILE MD 3.400 . 5.500 4.212 3.958 4.693 . 0 0 "[ . 1 . 2]" 1
1132 1 70 MET ME 2 49 GLN HA 3.400 . 5.500 5.253 4.390 5.597 0.097 4 0 "[ . 1 . 2]" 1
1133 1 70 MET ME 2 49 GLN QB 3.400 . 5.500 2.855 2.065 3.343 . 0 0 "[ . 1 . 2]" 1
1134 1 70 MET ME 2 50 PHE HA 3.400 . 5.500 3.532 3.265 3.821 . 0 0 "[ . 1 . 2]" 1
1135 1 17 PHE HA 2 32 ILE MG 3.400 . 5.500 2.956 2.191 4.104 . 0 0 "[ . 1 . 2]" 1
1136 1 16 VAL HA 2 32 ILE MG 3.400 . 5.500 5.574 5.471 5.738 0.238 10 0 "[ . 1 . 2]" 1
1137 1 17 PHE QE 2 32 ILE MG 2.550 . 3.800 3.496 2.578 3.933 0.133 19 0 "[ . 1 . 2]" 1
1138 1 17 PHE QD 2 32 ILE MG 3.400 . 5.500 2.383 2.227 2.834 . 0 0 "[ . 1 . 2]" 1
1139 1 32 HIS HD2 2 32 ILE MG 3.400 . 5.500 5.555 5.102 5.688 0.188 17 0 "[ . 1 . 2]" 1
1140 1 32 HIS HD2 2 32 ILE MD 3.400 . 5.500 4.572 3.809 5.551 0.051 15 0 "[ . 1 . 2]" 1
1141 1 16 VAL QG 2 32 ILE MD 3.400 . 5.500 3.367 2.594 5.101 . 0 0 "[ . 1 . 2]" 1
1142 1 17 PHE HA 2 32 ILE MD 2.550 . 3.800 3.434 2.287 3.869 0.069 3 0 "[ . 1 . 2]" 1
1143 1 17 PHE QE 2 32 ILE MD 3.400 . 5.500 2.706 2.073 5.230 . 0 0 "[ . 1 . 2]" 1
1144 1 17 PHE QD 2 32 ILE MD 3.400 . 5.500 2.266 2.056 3.824 . 0 0 "[ . 1 . 2]" 1
1145 1 29 GLU HA 2 32 ILE MD 3.400 . 5.500 4.892 4.082 5.543 0.043 1 0 "[ . 1 . 2]" 1
1146 1 17 PHE HA 2 32 ILE QG 3.400 . 5.500 4.411 2.566 5.507 0.007 20 0 "[ . 1 . 2]" 1
1147 1 17 PHE QD 2 32 ILE QG 3.400 . 5.500 3.740 2.262 4.353 . 0 0 "[ . 1 . 2]" 1
1148 1 17 PHE QE 2 32 ILE QG 3.400 . 5.500 4.314 3.761 4.868 . 0 0 "[ . 1 . 2]" 1
1149 1 37 LEU QD 2 34 MET QG 3.400 . 5.500 2.620 2.018 3.831 . 0 0 "[ . 1 . 2]" 1
1150 1 37 LEU HG 2 34 MET ME 2.300 . 3.300 2.914 2.276 3.379 0.079 16 0 "[ . 1 . 2]" 1
1151 1 32 HIS HD2 2 34 MET ME 2.550 . 3.800 2.318 2.046 3.213 . 0 0 "[ . 1 . 2]" 1
1152 1 33 VAL HA 2 34 MET ME 2.550 . 3.800 3.804 3.576 3.951 0.151 9 0 "[ . 1 . 2]" 1
1153 1 17 PHE QE 2 34 MET ME 3.400 . 5.500 5.273 4.584 5.643 0.143 4 0 "[ . 1 . 2]" 1
1154 1 32 HIS HE1 2 34 MET ME 3.400 . 5.500 4.100 3.655 4.679 . 0 0 "[ . 1 . 2]" 1
1155 1 37 LEU QD 2 35 ASP H 3.400 . 5.500 5.462 5.230 5.663 0.163 14 0 "[ . 1 . 2]" 1
1156 1 16 VAL QG 2 38 GLU QG 3.400 . 5.500 4.345 2.398 5.322 . 0 0 "[ . 1 . 2]" 1
1157 1 16 VAL QG 2 38 GLU QB 2.550 . 3.800 3.458 3.027 3.811 0.011 1 0 "[ . 1 . 2]" 1
1158 1 17 PHE QE 2 39 THR HA 3.400 . 5.000 4.421 3.926 4.889 . 0 0 "[ . 1 . 2]" 1
1159 1 17 PHE QE 2 39 THR MG 2.550 . 3.800 2.396 2.196 2.701 . 0 0 "[ . 1 . 2]" 1
1160 1 17 PHE QD 2 39 THR MG 2.550 . 3.800 3.813 3.520 3.954 0.154 8 0 "[ . 1 . 2]" 1
1161 1 37 LEU QD 2 39 THR MG 3.400 . 5.500 2.251 1.922 2.510 . 0 0 "[ . 1 . 2]" 1
1162 1 37 LEU QD 2 40 GLU QB 3.400 . 5.500 3.530 2.884 4.561 . 0 0 "[ . 1 . 2]" 1
1163 1 17 PHE QE 2 42 ALA MB 2.550 . 3.800 3.559 3.150 3.744 . 0 0 "[ . 1 . 2]" 1
1164 1 17 PHE QD 2 42 ALA MB 3.400 . 5.500 4.816 4.522 4.970 . 0 0 "[ . 1 . 2]" 1
1165 1 13 ALA HA 2 42 ALA MB 2.300 . 3.300 2.148 2.071 2.392 . 0 0 "[ . 1 . 2]" 1
1166 1 16 VAL HA 2 42 ALA MB 3.400 . 5.500 5.261 5.096 5.429 . 0 0 "[ . 1 . 2]" 1
1167 1 17 PHE QE 2 43 ALA H 3.400 . 5.000 4.759 4.551 4.906 . 0 0 "[ . 1 . 2]" 1
1168 1 37 LEU QD 2 43 ALA HA 3.400 . 5.000 5.000 4.587 5.105 0.105 17 0 "[ . 1 . 2]" 1
1169 1 17 PHE QE 2 43 ALA HA 2.550 . 3.800 3.812 3.442 3.903 0.103 20 0 "[ . 1 . 2]" 1
1170 1 37 LEU HA 2 43 ALA MB 3.400 . 5.500 4.133 3.831 4.349 . 0 0 "[ . 1 . 2]" 1
1171 1 37 LEU QD 2 43 ALA MB 3.400 . 5.500 2.867 2.594 3.014 . 0 0 "[ . 1 . 2]" 1
1172 1 37 LEU HG 2 43 ALA MB 3.400 . 5.500 4.501 4.151 4.708 . 0 0 "[ . 1 . 2]" 1
1173 1 33 VAL HA 2 43 ALA MB 3.400 . 5.500 4.414 4.047 4.786 . 0 0 "[ . 1 . 2]" 1
1174 1 17 PHE HZ 2 43 ALA MB 2.550 . 3.800 3.003 2.424 3.272 . 0 0 "[ . 1 . 2]" 1
1175 1 38 GLY QA 2 43 ALA MB 2.300 . 3.300 2.335 2.163 2.651 . 0 0 "[ . 1 . 2]" 1
1176 1 39 GLU QG 2 44 VAL HA 3.400 . 5.000 3.845 2.655 5.131 0.131 18 0 "[ . 1 . 2]" 1
1177 1 10 ILE MD 2 45 ALA HA 3.400 . 5.500 4.701 4.250 5.538 0.038 8 0 "[ . 1 . 2]" 1
1178 1 10 ILE MD 2 45 ALA MB 2.550 . 3.800 3.072 2.640 3.877 0.077 12 0 "[ . 1 . 2]" 1
1179 1 10 ILE HA 2 45 ALA MB 3.400 . 5.500 3.948 3.685 4.300 . 0 0 "[ . 1 . 2]" 1
1180 1 13 ALA HA 2 45 ALA MB 3.400 . 5.500 4.872 4.493 5.442 . 0 0 "[ . 1 . 2]" 1
1181 1 34 MET ME 2 46 ILE H 3.400 . 5.500 4.736 4.289 5.328 . 0 0 "[ . 1 . 2]" 1
1182 1 14 PHE HZ 2 46 ILE MG 3.400 . 5.500 2.385 2.211 3.049 . 0 0 "[ . 1 . 2]" 1
1183 1 14 PHE QE 2 46 ILE MG 3.400 . 5.500 2.967 2.828 3.338 . 0 0 "[ . 1 . 2]" 1
1184 1 17 PHE QE 2 46 ILE MD 2.550 . 3.800 2.047 2.016 2.242 . 0 0 "[ . 1 . 2]" 1
1185 1 17 PHE QD 2 46 ILE MD 2.550 . 3.800 3.385 3.232 3.508 . 0 0 "[ . 1 . 2]" 1
1186 1 41 LEU QD 2 46 ILE MG 3.400 . 5.500 5.014 4.870 5.222 . 0 0 "[ . 1 . 2]" 1
1187 1 41 LEU QD 2 47 GLN QB 2.550 . 3.800 2.250 2.191 2.330 . 0 0 "[ . 1 . 2]" 1
1188 1 40 LYS HA 2 47 GLN QE 3.400 . 5.000 3.649 2.936 4.670 . 0 0 "[ . 1 . 2]" 1
1189 1 34 MET HA 2 47 GLN QE 3.400 . 5.000 2.560 1.784 4.714 0.016 20 0 "[ . 1 . 2]" 1
1190 1 34 MET ME 2 47 GLN H 3.400 . 5.000 3.715 3.323 4.274 . 0 0 "[ . 1 . 2]" 1
1191 1 10 ILE MD 2 49 GLN QB 2.550 . 3.800 3.065 2.311 3.880 0.080 20 0 "[ . 1 . 2]" 1
1192 1 70 MET ME 2 49 GLN QG 3.400 . 5.500 3.966 2.292 4.851 . 0 0 "[ . 1 . 2]" 1
1193 1 10 ILE MD 2 49 GLN QG 2.550 . 3.800 2.289 2.013 3.096 . 0 0 "[ . 1 . 2]" 1
1194 1 10 ILE MG 2 49 GLN QG 2.550 . 3.800 3.722 3.413 3.869 0.069 20 0 "[ . 1 . 2]" 1
1195 1 49 MET ME 2 50 PHE QB 2.550 . 3.800 2.928 2.686 3.178 . 0 0 "[ . 1 . 2]" 1
1196 1 70 MET ME 2 50 PHE QB 2.550 . 3.800 3.040 2.595 3.409 . 0 0 "[ . 1 . 2]" 1
1197 1 41 LEU QD 2 51 ARG HA 3.400 . 5.500 4.567 4.253 4.734 . 0 0 "[ . 1 . 2]" 1
1198 1 41 LEU QD 2 51 ARG HE 3.400 . 5.500 3.696 1.919 5.590 0.090 19 0 "[ . 1 . 2]" 1
1199 1 70 MET HA 2 53 PHE QB 3.400 . 5.000 3.600 2.841 4.324 . 0 0 "[ . 1 . 2]" 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 12
_Distance_constraint_stats_list.Viol_count 65
_Distance_constraint_stats_list.Viol_total 157.582
_Distance_constraint_stats_list.Viol_max 0.398
_Distance_constraint_stats_list.Viol_rms 0.0715
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0328
_Distance_constraint_stats_list.Viol_average_violations_only 0.1212
_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 10 ILE 3.580 0.322 4 0 "[ . 1 . 2]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.963 0.183 17 0 "[ . 1 . 2]"
1 48 GLU 2.026 0.398 6 0 "[ . 1 . 2]"
1 69 MET 0.328 0.096 17 0 "[ . 1 . 2]"
1 70 MET 1.140 0.202 10 0 "[ . 1 . 2]"
2 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 ALA 3.422 0.322 4 0 "[ . 1 . 2]"
2 49 GLN 3.422 0.322 4 0 "[ . 1 . 2]"
2 50 PHE 4.212 0.398 6 0 "[ . 1 . 2]"
2 53 PHE 0.328 0.096 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 ILE MD 1 70 MET QB 2.550 . 3.800 3.068 2.211 3.958 0.158 20 0 "[ . 1 . 2]" 2
2 1 10 ILE MG 1 70 MET QB 2.550 . 3.800 2.821 2.264 3.287 . 0 0 "[ . 1 . 2]" 2
3 1 10 ILE MG 2 45 ALA HA 3.400 . 5.500 5.659 5.315 5.822 0.322 4 0 "[ . 1 . 2]" 2
4 1 39 GLU QB 1 41 LEU QD 3.400 . 5.500 2.803 2.321 3.097 . 0 0 "[ . 1 . 2]" 2
5 1 41 LEU QD 2 50 PHE QR 2.550 . 3.800 2.262 2.074 2.382 . 0 0 "[ . 1 . 2]" 2
6 1 45 GLU QG 2 50 PHE QR 2.550 . 3.300 3.161 2.423 3.483 0.183 17 0 "[ . 1 . 2]" 2
7 1 48 GLU QB 2 50 PHE QE 2.550 . 3.300 2.400 2.059 3.163 . 0 0 "[ . 1 . 2]" 2
8 1 48 GLU QG 2 50 PHE QE 2.550 . 3.300 3.138 2.488 3.698 0.398 6 0 "[ . 1 . 2]" 2
9 1 69 MET QG 2 53 PHE QE 2.550 . 3.300 2.933 2.346 3.340 0.040 3 0 "[ . 1 . 2]" 2
10 1 69 MET ME 2 50 PHE QE 2.550 . 3.800 3.313 2.643 3.896 0.096 17 0 "[ . 1 . 2]" 2
11 1 70 MET HA 2 53 PHE QR 3.400 . 5.000 3.106 2.692 3.971 . 0 0 "[ . 1 . 2]" 2
12 1 70 MET ME 2 50 PHE QR 2.550 . 3.800 3.791 3.384 4.002 0.202 10 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 88
_Distance_constraint_stats_list.Viol_count 52
_Distance_constraint_stats_list.Viol_total 48.705
_Distance_constraint_stats_list.Viol_max 0.120
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0468
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLU 1.185 0.120 9 0 "[ . 1 . 2]"
1 10 ILE 0.392 0.102 9 0 "[ . 1 . 2]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.215 0.060 15 0 "[ . 1 . 2]"
1 13 ALA 1.185 0.120 9 0 "[ . 1 . 2]"
1 14 PHE 0.392 0.102 9 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.215 0.060 15 0 "[ . 1 . 2]"
1 25 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.626 0.099 16 0 "[ . 1 . 2]"
1 49 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLU 0.626 0.099 16 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 46 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 50 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 PHE 0.017 0.017 9 0 "[ . 1 . 2]"
2 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 LYS 0.017 0.017 9 0 "[ . 1 . 2]"
2 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 SER O 1 10 ILE N 2.800 2.400 3.700 3.211 3.002 3.554 . 0 0 "[ . 1 . 2]" 3
2 1 6 SER O 1 10 ILE H 1.800 . 2.700 2.287 2.051 2.669 . 0 0 "[ . 1 . 2]" 3
3 1 7 GLU O 1 11 ARG N 2.800 2.400 3.700 3.021 2.884 3.222 . 0 0 "[ . 1 . 2]" 3
4 1 7 GLU O 1 11 ARG H 1.800 . 2.700 2.128 1.948 2.417 . 0 0 "[ . 1 . 2]" 3
5 1 8 GLU O 1 12 GLU N 2.800 2.400 3.700 2.978 2.820 3.286 . 0 0 "[ . 1 . 2]" 3
6 1 8 GLU O 1 12 GLU H 1.800 . 2.700 2.121 1.987 2.502 . 0 0 "[ . 1 . 2]" 3
7 1 9 GLU O 1 13 ALA N 2.800 2.400 3.700 3.641 3.572 3.702 0.002 6 0 "[ . 1 . 2]" 3
8 1 9 GLU O 1 13 ALA H 1.800 . 2.700 2.758 2.672 2.820 0.120 9 0 "[ . 1 . 2]" 3
9 1 10 ILE O 1 14 PHE N 2.800 2.400 3.700 3.448 3.043 3.584 . 0 0 "[ . 1 . 2]" 3
10 1 10 ILE O 1 14 PHE H 1.800 . 2.700 2.635 2.217 2.802 0.102 9 0 "[ . 1 . 2]" 3
11 1 11 ARG O 1 15 ARG N 2.800 2.400 3.700 2.790 2.618 2.988 . 0 0 "[ . 1 . 2]" 3
12 1 11 ARG O 1 15 ARG H 1.800 . 2.700 1.833 1.652 2.069 . 0 0 "[ . 1 . 2]" 3
13 1 12 GLU O 1 16 VAL N 2.800 2.400 3.700 3.405 3.237 3.537 . 0 0 "[ . 1 . 2]" 3
14 1 12 GLU O 1 16 VAL H 1.800 . 2.700 2.637 2.475 2.760 0.060 15 0 "[ . 1 . 2]" 3
15 1 28 ALA O 1 32 HIS N 2.800 2.400 3.700 3.403 3.208 3.512 . 0 0 "[ . 1 . 2]" 3
16 1 28 ALA O 1 32 HIS H 1.800 . 2.700 2.429 2.229 2.536 . 0 0 "[ . 1 . 2]" 3
17 1 29 GLU O 1 33 VAL N 2.800 2.400 3.700 2.732 2.585 2.887 . 0 0 "[ . 1 . 2]" 3
18 1 29 GLU O 1 33 VAL H 1.800 . 2.700 1.792 1.648 1.928 . 0 0 "[ . 1 . 2]" 3
19 1 30 LEU O 1 34 MET N 2.800 2.400 3.700 2.660 2.570 2.818 . 0 0 "[ . 1 . 2]" 3
20 1 30 LEU O 1 34 MET H 1.800 . 2.700 1.768 1.673 1.967 . 0 0 "[ . 1 . 2]" 3
21 1 31 ARG O 1 35 THR N 2.800 2.400 3.700 2.949 2.803 3.203 . 0 0 "[ . 1 . 2]" 3
22 1 31 ARG O 1 35 THR H 1.800 . 2.700 2.154 1.983 2.372 . 0 0 "[ . 1 . 2]" 3
23 1 32 HIS O 1 36 ASN N 2.800 2.400 3.700 2.473 2.411 2.736 . 0 0 "[ . 1 . 2]" 3
24 1 32 HIS O 1 36 ASN H 1.800 . 2.700 1.725 1.625 2.051 . 0 0 "[ . 1 . 2]" 3
25 1 43 ASP O 1 47 ASP N 2.800 2.400 3.700 2.703 2.630 2.819 . 0 0 "[ . 1 . 2]" 3
26 1 43 ASP O 1 47 ASP H 1.800 . 2.700 1.757 1.691 1.887 . 0 0 "[ . 1 . 2]" 3
27 1 44 GLU O 1 48 GLU N 2.800 2.400 3.700 3.341 3.223 3.605 . 0 0 "[ . 1 . 2]" 3
28 1 44 GLU O 1 48 GLU H 1.800 . 2.700 2.430 2.294 2.699 . 0 0 "[ . 1 . 2]" 3
29 1 45 GLU O 1 49 MET N 2.800 2.400 3.700 3.162 2.946 3.395 . 0 0 "[ . 1 . 2]" 3
30 1 45 GLU O 1 49 MET H 1.800 . 2.700 2.307 2.051 2.604 . 0 0 "[ . 1 . 2]" 3
31 1 46 VAL O 1 50 ILE N 2.800 2.400 3.700 2.689 2.509 2.799 . 0 0 "[ . 1 . 2]" 3
32 1 46 VAL O 1 50 ILE H 1.800 . 2.700 1.785 1.639 1.889 . 0 0 "[ . 1 . 2]" 3
33 1 47 ASP O 1 51 ARG N 2.800 2.400 3.700 3.090 2.904 3.395 . 0 0 "[ . 1 . 2]" 3
34 1 47 ASP O 1 51 ARG H 1.800 . 2.700 2.184 2.008 2.503 . 0 0 "[ . 1 . 2]" 3
35 1 48 GLU O 1 52 GLU N 2.800 2.400 3.700 3.478 3.286 3.752 0.052 16 0 "[ . 1 . 2]" 3
36 1 48 GLU O 1 52 GLU H 1.800 . 2.700 2.674 2.484 2.799 0.099 16 0 "[ . 1 . 2]" 3
37 1 49 MET O 1 53 ALA N 2.800 2.400 3.700 2.807 2.511 3.172 . 0 0 "[ . 1 . 2]" 3
38 1 49 MET O 1 53 ALA H 1.800 . 2.700 2.299 1.808 2.655 . 0 0 "[ . 1 . 2]" 3
39 1 63 TYR O 1 67 VAL N 2.800 2.400 3.700 2.907 2.818 3.007 . 0 0 "[ . 1 . 2]" 3
40 1 63 TYR O 1 67 VAL H 1.800 . 2.700 1.966 1.855 2.069 . 0 0 "[ . 1 . 2]" 3
41 1 64 GLU O 1 68 GLN N 2.800 2.400 3.700 2.856 2.748 2.967 . 0 0 "[ . 1 . 2]" 3
42 1 64 GLU O 1 68 GLN H 1.800 . 2.700 1.920 1.801 2.044 . 0 0 "[ . 1 . 2]" 3
43 1 65 GLU O 1 69 MET N 2.800 2.400 3.700 2.792 2.611 3.070 . 0 0 "[ . 1 . 2]" 3
44 1 65 GLU O 1 69 MET H 1.800 . 2.700 1.868 1.688 2.136 . 0 0 "[ . 1 . 2]" 3
45 1 66 PHE O 1 70 MET N 2.800 2.400 3.700 2.796 2.524 3.123 . 0 0 "[ . 1 . 2]" 3
46 1 66 PHE O 1 70 MET H 1.800 . 2.700 1.858 1.581 2.220 . 0 0 "[ . 1 . 2]" 3
47 1 67 VAL O 1 71 THR N 2.800 2.400 3.700 2.677 2.494 2.880 . 0 0 "[ . 1 . 2]" 3
48 1 67 VAL O 1 71 THR H 1.800 . 2.700 1.965 1.683 2.284 . 0 0 "[ . 1 . 2]" 3
49 1 25 ILE N 1 61 VAL O 2.800 2.400 3.700 2.656 2.567 2.739 . 0 0 "[ . 1 . 2]" 3
50 1 25 ILE H 1 61 VAL O 1.800 . 2.700 1.700 1.602 1.809 . 0 0 "[ . 1 . 2]" 3
51 1 25 ILE O 1 61 VAL N 2.800 2.400 3.700 2.609 2.513 2.685 . 0 0 "[ . 1 . 2]" 3
52 1 25 ILE O 1 61 VAL H 1.800 . 2.700 1.682 1.633 1.815 . 0 0 "[ . 1 . 2]" 3
53 2 37 PRO O 2 41 ARG N 2.800 2.400 3.700 2.930 2.722 3.261 . 0 0 "[ . 1 . 2]" 3
54 2 37 PRO O 2 41 ARG H 1.800 . 2.700 1.998 1.801 2.329 . 0 0 "[ . 1 . 2]" 3
55 2 38 GLU O 2 42 ALA N 2.800 2.400 3.700 2.828 2.568 3.052 . 0 0 "[ . 1 . 2]" 3
56 2 38 GLU O 2 42 ALA H 1.800 . 2.700 1.917 1.688 2.141 . 0 0 "[ . 1 . 2]" 3
57 2 39 THR O 2 43 ALA N 2.800 2.400 3.700 3.050 2.790 3.214 . 0 0 "[ . 1 . 2]" 3
58 2 39 THR O 2 43 ALA H 1.800 . 2.700 2.141 1.841 2.325 . 0 0 "[ . 1 . 2]" 3
59 2 40 GLU O 2 44 VAL N 2.800 2.400 3.700 3.127 2.737 3.356 . 0 0 "[ . 1 . 2]" 3
60 2 40 GLU O 2 44 VAL H 1.800 . 2.700 2.226 1.806 2.463 . 0 0 "[ . 1 . 2]" 3
61 2 41 ARG O 2 45 ALA N 2.800 2.400 3.700 3.180 3.038 3.365 . 0 0 "[ . 1 . 2]" 3
62 2 41 ARG O 2 45 ALA H 1.800 . 2.700 2.239 2.094 2.432 . 0 0 "[ . 1 . 2]" 3
63 2 42 ALA O 2 46 ILE N 2.800 2.400 3.700 3.188 3.055 3.330 . 0 0 "[ . 1 . 2]" 3
64 2 42 ALA O 2 46 ILE H 1.800 . 2.700 2.225 2.092 2.397 . 0 0 "[ . 1 . 2]" 3
65 2 43 ALA O 2 47 GLN N 2.800 2.400 3.700 2.891 2.723 3.157 . 0 0 "[ . 1 . 2]" 3
66 2 43 ALA O 2 47 GLN H 1.800 . 2.700 1.938 1.770 2.200 . 0 0 "[ . 1 . 2]" 3
67 2 44 VAL O 2 48 SER N 2.800 2.400 3.700 2.648 2.553 2.860 . 0 0 "[ . 1 . 2]" 3
68 2 44 VAL O 2 48 SER H 1.800 . 2.700 1.737 1.653 1.957 . 0 0 "[ . 1 . 2]" 3
69 2 45 ALA O 2 49 GLN N 2.800 2.400 3.700 3.005 2.817 3.145 . 0 0 "[ . 1 . 2]" 3
70 2 45 ALA O 2 49 GLN H 1.800 . 2.700 2.071 1.891 2.206 . 0 0 "[ . 1 . 2]" 3
71 2 46 ILE O 2 50 PHE N 2.800 2.400 3.700 2.979 2.753 3.197 . 0 0 "[ . 1 . 2]" 3
72 2 46 ILE O 2 50 PHE H 1.800 . 2.700 2.088 1.860 2.303 . 0 0 "[ . 1 . 2]" 3
73 2 47 GLN O 2 51 ARG N 2.800 2.400 3.700 3.091 2.875 3.391 . 0 0 "[ . 1 . 2]" 3
74 2 47 GLN O 2 51 ARG H 1.800 . 2.700 2.141 1.933 2.427 . 0 0 "[ . 1 . 2]" 3
75 2 48 SER O 2 52 LYS N 2.800 2.400 3.700 3.216 2.997 3.445 . 0 0 "[ . 1 . 2]" 3
76 2 48 SER O 2 52 LYS H 1.800 . 2.700 2.286 2.080 2.540 . 0 0 "[ . 1 . 2]" 3
77 2 49 GLN O 2 53 PHE N 2.800 2.400 3.700 2.857 2.658 3.196 . 0 0 "[ . 1 . 2]" 3
78 2 49 GLN O 2 53 PHE H 1.800 . 2.700 1.959 1.761 2.337 . 0 0 "[ . 1 . 2]" 3
79 2 50 PHE O 2 54 GLN N 2.800 2.400 3.700 3.144 2.894 3.379 . 0 0 "[ . 1 . 2]" 3
80 2 50 PHE O 2 54 GLN H 1.800 . 2.700 2.209 1.942 2.462 . 0 0 "[ . 1 . 2]" 3
81 2 51 ARG O 2 55 LYS N 2.800 2.400 3.700 3.150 2.874 3.422 . 0 0 "[ . 1 . 2]" 3
82 2 51 ARG O 2 55 LYS H 1.800 . 2.700 2.251 2.037 2.518 . 0 0 "[ . 1 . 2]" 3
83 2 52 LYS O 2 56 LYS N 2.800 2.400 3.700 3.097 2.829 3.396 . 0 0 "[ . 1 . 2]" 3
84 2 52 LYS O 2 56 LYS H 1.800 . 2.700 2.183 1.907 2.506 . 0 0 "[ . 1 . 2]" 3
85 2 53 PHE O 2 57 LYS N 2.800 2.400 3.700 3.244 3.020 3.649 . 0 0 "[ . 1 . 2]" 3
86 2 53 PHE O 2 57 LYS H 1.800 . 2.700 2.325 2.092 2.717 0.017 9 0 "[ . 1 . 2]" 3
87 2 54 GLN O 2 58 ALA N 2.800 2.400 3.700 3.032 2.628 3.321 . 0 0 "[ . 1 . 2]" 3
88 2 54 GLN O 2 58 ALA H 1.800 . 2.700 2.116 1.697 2.430 . 0 0 "[ . 1 . 2]" 3
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