Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
570176 | 2m1u RC | 18880 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m1u
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 605
_Distance_constraint_stats_list.Viol_count 1320
_Distance_constraint_stats_list.Viol_total 1865.928
_Distance_constraint_stats_list.Viol_max 0.323
_Distance_constraint_stats_list.Viol_rms 0.0345
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0673
_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 22 SER 3.295 0.170 1 0 "[ . 1 . 2 ]"
1 23 ASP 10.478 0.310 1 0 "[ . 1 . 2 ]"
1 24 GLU 14.278 0.323 1 0 "[ . 1 . 2 ]"
1 25 LYS 7.151 0.323 1 0 "[ . 1 . 2 ]"
1 26 THR 3.133 0.111 16 0 "[ . 1 . 2 ]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 LEU 8.671 0.276 1 0 "[ . 1 . 2 ]"
1 29 ILE 18.656 0.276 1 0 "[ . 1 . 2 ]"
1 30 GLU 10.681 0.263 1 0 "[ . 1 . 2 ]"
1 31 ALA 4.325 0.171 1 0 "[ . 1 . 2 ]"
1 32 PHE 0.032 0.032 1 0 "[ . 1 . 2 ]"
1 33 TYR 0.011 0.006 3 0 "[ . 1 . 2 ]"
1 34 ASN 0.135 0.045 1 0 "[ . 1 . 2 ]"
1 35 PHE 0.102 0.045 1 0 "[ . 1 . 2 ]"
1 36 ASP 0.022 0.004 4 0 "[ . 1 . 2 ]"
1 37 GLY 0.018 0.004 4 0 "[ . 1 . 2 ]"
1 38 ASP 0.014 0.004 17 0 "[ . 1 . 2 ]"
1 39 TYR 0.012 0.004 17 0 "[ . 1 . 2 ]"
1 40 ASP 0.012 0.010 10 0 "[ . 1 . 2 ]"
1 41 GLY 0.032 0.005 15 0 "[ . 1 . 2 ]"
1 42 PHE 0.125 0.021 18 0 "[ . 1 . 2 ]"
1 43 VAL 0.082 0.021 18 0 "[ . 1 . 2 ]"
1 44 SER 0.010 0.010 3 0 "[ . 1 . 2 ]"
1 45 VAL 0.012 0.010 3 0 "[ . 1 . 2 ]"
1 46 GLU 0.009 0.003 15 0 "[ . 1 . 2 ]"
1 47 GLU 0.003 0.002 8 0 "[ . 1 . 2 ]"
1 48 PHE 0.176 0.015 6 0 "[ . 1 . 2 ]"
1 49 ARG 0.056 0.009 1 0 "[ . 1 . 2 ]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 ILE 0.142 0.022 1 0 "[ . 1 . 2 ]"
1 52 ILE 0.326 0.022 1 0 "[ . 1 . 2 ]"
1 53 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 ASP 0.001 0.001 8 0 "[ . 1 . 2 ]"
1 55 GLY 0.058 0.007 14 0 "[ . 1 . 2 ]"
1 56 LEU 0.076 0.007 14 0 "[ . 1 . 2 ]"
1 57 PRO 0.625 0.068 1 0 "[ . 1 . 2 ]"
1 58 MET 0.141 0.010 8 0 "[ . 1 . 2 ]"
1 59 THR 0.894 0.068 1 0 "[ . 1 . 2 ]"
1 60 GLU 1.380 0.062 12 0 "[ . 1 . 2 ]"
1 61 ALA 4.992 0.149 9 0 "[ . 1 . 2 ]"
1 62 GLU 1.620 0.088 1 0 "[ . 1 . 2 ]"
1 63 ILE 3.183 0.114 1 0 "[ . 1 . 2 ]"
1 64 THR 4.006 0.133 1 0 "[ . 1 . 2 ]"
1 65 GLU 14.659 0.317 1 0 "[ . 1 . 2 ]"
1 66 PHE 9.767 0.317 1 0 "[ . 1 . 2 ]"
1 67 PHE 1.806 0.107 1 0 "[ . 1 . 2 ]"
1 68 GLU 0.096 0.015 6 0 "[ . 1 . 2 ]"
1 69 ALA 6.738 0.305 1 0 "[ . 1 . 2 ]"
1 70 ALA 6.895 0.305 1 0 "[ . 1 . 2 ]"
1 71 ASP 0.033 0.007 17 0 "[ . 1 . 2 ]"
1 72 PRO 0.016 0.007 17 0 "[ . 1 . 2 ]"
1 73 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 ASN 1.660 0.078 1 0 "[ . 1 . 2 ]"
1 75 THR 1.310 0.078 1 0 "[ . 1 . 2 ]"
1 76 GLY 1.235 0.070 6 0 "[ . 1 . 2 ]"
1 77 PHE 0.306 0.041 1 0 "[ . 1 . 2 ]"
1 78 ILE 1.369 0.070 6 0 "[ . 1 . 2 ]"
1 79 ASP 0.031 0.004 11 0 "[ . 1 . 2 ]"
1 80 TYR 1.027 0.034 3 0 "[ . 1 . 2 ]"
1 81 LYS 0.840 0.036 5 0 "[ . 1 . 2 ]"
1 82 ALA 0.187 0.019 6 0 "[ . 1 . 2 ]"
1 83 PHE 0.549 0.036 5 0 "[ . 1 . 2 ]"
1 84 ALA 0.567 0.033 1 0 "[ . 1 . 2 ]"
1 85 ALA 7.143 0.289 1 0 "[ . 1 . 2 ]"
1 86 MET 7.345 0.289 1 0 "[ . 1 . 2 ]"
1 87 LEU 7.168 0.241 21 0 "[ . 1 . 2 ]"
1 88 TYR 7.402 0.241 21 0 "[ . 1 . 2 ]"
1 89 SER 0.518 0.037 1 0 "[ . 1 . 2 ]"
1 90 VAL 0.011 0.006 11 0 "[ . 1 . 2 ]"
1 91 ASP 0.009 0.003 17 0 "[ . 1 . 2 ]"
1 92 GLU 0.022 0.009 3 0 "[ . 1 . 2 ]"
1 93 SER 0.022 0.009 3 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 79 ASP HA 1 80 TYR H 2.200 . 3.000 2.197 2.161 2.208 . 0 0 "[ . 1 . 2 ]" 1
2 1 78 ILE HA 1 79 ASP H 2.200 . 3.000 2.254 2.209 2.308 . 0 0 "[ . 1 . 2 ]" 1
3 1 90 VAL HA 1 91 ASP H 2.200 . 3.000 2.838 2.459 2.972 . 0 0 "[ . 1 . 2 ]" 1
4 1 44 SER QB 1 45 VAL H 2.200 . 3.000 2.677 2.291 2.862 . 0 0 "[ . 1 . 2 ]" 1
5 1 22 SER HA 1 23 ASP H 2.200 . 3.000 3.157 3.155 3.170 0.170 1 0 "[ . 1 . 2 ]" 1
6 1 55 GLY H 1 56 LEU H 2.200 . 3.000 2.926 2.367 3.007 0.007 14 0 "[ . 1 . 2 ]" 1
7 1 35 PHE H 1 36 ASP H 2.200 . 3.000 2.504 1.992 3.002 0.002 4 0 "[ . 1 . 2 ]" 1
8 1 36 ASP H 1 37 GLY H 2.200 . 3.000 2.840 2.393 3.004 0.004 4 0 "[ . 1 . 2 ]" 1
9 1 35 PHE HA 1 36 ASP H 2.200 . 3.000 2.621 2.351 2.903 . 0 0 "[ . 1 . 2 ]" 1
10 1 63 ILE H 1 64 THR H 2.200 . 3.000 2.859 2.464 2.979 . 0 0 "[ . 1 . 2 ]" 1
11 1 62 GLU H 1 63 ILE H 2.200 . 3.000 2.838 2.301 3.002 0.002 14 0 "[ . 1 . 2 ]" 1
12 1 62 GLU QG 1 63 ILE H 2.200 . 3.000 3.073 3.032 3.088 0.088 1 0 "[ . 1 . 2 ]" 1
13 1 91 ASP HA 1 92 GLU H 2.200 . 3.000 2.418 2.141 2.922 . 0 0 "[ . 1 . 2 ]" 1
14 1 81 LYS H 1 82 ALA H 2.200 . 3.000 2.763 2.709 2.801 . 0 0 "[ . 1 . 2 ]" 1
15 1 81 LYS QB 1 82 ALA H 3.000 . 5.000 2.373 2.244 2.488 . 0 0 "[ . 1 . 2 ]" 1
16 1 27 GLN H 1 28 LEU H 2.200 . 3.000 2.562 2.455 2.588 . 0 0 "[ . 1 . 2 ]" 1
17 1 83 PHE H 1 84 ALA H 2.200 . 3.000 2.254 2.209 2.493 . 0 0 "[ . 1 . 2 ]" 1
18 1 83 PHE QB 1 84 ALA H 2.200 . 3.000 2.867 2.724 2.922 . 0 0 "[ . 1 . 2 ]" 1
19 1 30 GLU H 1 31 ALA H 2.200 . 3.000 2.565 2.511 2.724 . 0 0 "[ . 1 . 2 ]" 1
20 1 30 GLU HA 1 31 ALA H 2.200 . 3.000 3.147 3.143 3.171 0.171 1 0 "[ . 1 . 2 ]" 1
21 1 51 ILE H 1 52 ILE H 2.200 . 3.000 2.388 2.214 2.659 . 0 0 "[ . 1 . 2 ]" 1
22 1 60 GLU H 1 61 ALA H 2.200 . 3.000 3.020 2.999 3.032 0.032 14 0 "[ . 1 . 2 ]" 1
23 1 61 ALA H 1 62 GLU H 2.200 . 3.000 2.963 2.753 3.030 0.030 5 0 "[ . 1 . 2 ]" 1
24 1 59 THR HB 1 61 ALA H 2.200 . 3.000 2.829 2.710 3.010 0.010 4 0 "[ . 1 . 2 ]" 1
25 1 60 GLU HA 1 61 ALA H 3.000 . 5.000 3.529 3.517 3.557 . 0 0 "[ . 1 . 2 ]" 1
26 1 60 GLU QB 1 61 ALA H 2.200 . 3.000 3.037 3.015 3.062 0.062 12 0 "[ . 1 . 2 ]" 1
27 1 89 SER HA 1 90 VAL H 2.200 . 3.000 2.479 2.200 3.006 0.006 11 0 "[ . 1 . 2 ]" 1
28 1 89 SER QB 1 90 VAL H 3.000 . 5.000 3.894 3.685 4.064 . 0 0 "[ . 1 . 2 ]" 1
29 1 66 PHE H 1 67 PHE H 2.200 . 3.000 2.134 2.100 2.184 . 0 0 "[ . 1 . 2 ]" 1
30 1 65 GLU H 1 66 PHE H 2.200 . 3.000 2.487 2.432 2.504 . 0 0 "[ . 1 . 2 ]" 1
31 1 65 GLU QB 1 66 PHE H 2.200 . 3.000 3.053 3.022 3.062 0.062 17 0 "[ . 1 . 2 ]" 1
32 1 38 ASP HA 1 39 TYR H 2.200 . 3.000 2.658 2.353 3.004 0.004 17 0 "[ . 1 . 2 ]" 1
33 1 89 SER H 1 90 VAL H 3.000 . 5.000 3.702 2.733 4.236 . 0 0 "[ . 1 . 2 ]" 1
34 1 29 ILE H 1 30 GLU H 2.200 . 3.000 2.511 2.479 2.681 . 0 0 "[ . 1 . 2 ]" 1
35 1 29 ILE HA 1 30 GLU H 2.200 . 3.000 3.229 3.223 3.263 0.263 1 0 "[ . 1 . 2 ]" 1
36 1 65 GLU HA 1 66 PHE H 2.200 . 3.000 3.286 3.280 3.317 0.317 1 0 "[ . 1 . 2 ]" 1
37 1 64 THR H 1 65 GLU H 2.200 . 3.000 2.875 2.609 2.968 . 0 0 "[ . 1 . 2 ]" 1
38 1 64 THR HB 1 65 GLU H 2.200 . 3.000 2.378 2.315 2.548 . 0 0 "[ . 1 . 2 ]" 1
39 1 64 THR MG 1 65 GLU H 3.000 . 5.000 3.150 3.089 3.174 . 0 0 "[ . 1 . 2 ]" 1
40 1 34 ASN HA 1 35 PHE H 2.200 . 3.000 2.850 2.603 3.037 0.037 1 0 "[ . 1 . 2 ]" 1
41 1 59 THR HB 1 60 GLU H 2.200 . 3.000 3.008 3.001 3.029 0.029 4 0 "[ . 1 . 2 ]" 1
42 1 59 THR HA 1 60 GLU H 2.200 . 3.000 2.244 2.171 2.333 . 0 0 "[ . 1 . 2 ]" 1
43 1 59 THR MG 1 60 GLU H 3.000 . 5.000 3.234 2.674 3.478 . 0 0 "[ . 1 . 2 ]" 1
44 1 24 GLU H 1 25 LYS H 2.200 . 3.000 2.523 2.512 2.563 . 0 0 "[ . 1 . 2 ]" 1
45 1 23 ASP HA 1 24 GLU H 2.200 . 3.000 3.288 3.284 3.310 0.310 1 0 "[ . 1 . 2 ]" 1
46 1 23 ASP QB 1 24 GLU H 2.200 . 3.000 3.054 3.051 3.058 0.058 4 0 "[ . 1 . 2 ]" 1
47 1 76 GLY H 1 77 PHE H 3.000 . 5.000 2.580 1.969 2.835 . 0 0 "[ . 1 . 2 ]" 1
48 1 25 LYS H 1 26 THR H 2.200 . 3.000 2.215 2.205 2.280 . 0 0 "[ . 1 . 2 ]" 1
49 1 52 ILE H 1 53 ARG H 3.000 . 5.000 2.508 2.223 2.756 . 0 0 "[ . 1 . 2 ]" 1
50 1 47 GLU H 1 48 PHE H 3.000 . 5.000 2.330 2.136 2.693 . 0 0 "[ . 1 . 2 ]" 1
51 1 46 GLU H 1 47 GLU H 2.200 . 3.000 2.801 2.622 2.900 . 0 0 "[ . 1 . 2 ]" 1
52 1 37 GLY H 1 38 ASP H 2.200 . 3.000 2.740 1.999 3.001 0.001 10 0 "[ . 1 . 2 ]" 1
53 1 37 GLY QA 1 38 ASP H 2.200 . 3.000 2.609 2.259 2.846 . 0 0 "[ . 1 . 2 ]" 1
54 1 67 PHE QB 1 68 GLU H 3.000 . 5.000 2.818 2.530 2.958 . 0 0 "[ . 1 . 2 ]" 1
55 1 28 LEU QB 1 29 ILE H 2.200 . 3.000 3.095 3.088 3.141 0.141 1 0 "[ . 1 . 2 ]" 1
56 1 28 LEU HA 1 29 ILE H 2.200 . 3.000 3.268 3.265 3.276 0.276 1 0 "[ . 1 . 2 ]" 1
57 1 87 LEU H 1 88 TYR H 2.200 . 3.000 2.195 2.077 2.317 . 0 0 "[ . 1 . 2 ]" 1
58 1 86 MET HA 1 87 LEU H 3.000 . 5.000 3.510 3.453 3.554 . 0 0 "[ . 1 . 2 ]" 1
59 1 86 MET QB 1 87 LEU H 2.200 . 3.000 2.702 2.448 3.007 0.007 21 0 "[ . 1 . 2 ]" 1
60 1 68 GLU H 1 69 ALA H 3.000 . 5.000 2.287 2.190 2.463 . 0 0 "[ . 1 . 2 ]" 1
61 1 69 ALA H 1 70 ALA H 2.200 . 3.000 2.354 2.243 2.499 . 0 0 "[ . 1 . 2 ]" 1
62 1 61 ALA MB 1 62 GLU H 2.200 . 3.000 2.460 2.236 2.969 . 0 0 "[ . 1 . 2 ]" 1
63 1 41 GLY H 1 42 PHE H 3.000 . 5.000 2.617 2.003 4.105 . 0 0 "[ . 1 . 2 ]" 1
64 1 41 GLY QA 1 42 PHE H 2.200 . 3.000 2.722 2.269 2.873 . 0 0 "[ . 1 . 2 ]" 1
65 1 69 ALA HA 1 70 ALA H 2.200 . 3.000 3.268 3.264 3.305 0.305 1 0 "[ . 1 . 2 ]" 1
66 1 69 ALA MB 1 70 ALA H 2.200 . 3.000 3.052 3.032 3.056 0.056 17 0 "[ . 1 . 2 ]" 1
67 1 33 TYR HA 1 34 ASN H 2.200 . 3.000 2.857 2.310 3.006 0.006 3 0 "[ . 1 . 2 ]" 1
68 1 73 ASN H 1 74 ASN H 2.200 . 3.000 2.449 2.283 2.561 . 0 0 "[ . 1 . 2 ]" 1
69 1 66 PHE QB 1 67 PHE H 2.200 . 3.000 2.955 2.857 3.002 0.002 16 0 "[ . 1 . 2 ]" 1
70 1 82 ALA MB 1 83 PHE H 2.200 . 3.000 2.872 2.636 2.937 . 0 0 "[ . 1 . 2 ]" 1
71 1 84 ALA H 1 85 ALA H 2.200 . 3.000 2.436 2.368 2.634 . 0 0 "[ . 1 . 2 ]" 1
72 1 85 ALA H 1 86 MET H 2.200 . 3.000 2.500 2.461 2.630 . 0 0 "[ . 1 . 2 ]" 1
73 1 84 ALA MB 1 85 ALA H 2.200 . 3.000 2.842 2.541 3.002 0.002 4 0 "[ . 1 . 2 ]" 1
74 1 31 ALA MB 1 32 PHE H 2.200 . 3.000 2.785 2.565 2.889 . 0 0 "[ . 1 . 2 ]" 1
75 1 87 LEU HA 1 88 TYR H 2.200 . 3.000 3.187 3.179 3.241 0.241 21 0 "[ . 1 . 2 ]" 1
76 1 87 LEU QB 1 88 TYR H 2.200 . 3.000 3.149 3.051 3.163 0.163 8 0 "[ . 1 . 2 ]" 1
77 1 63 ILE HB 1 64 THR H 2.200 . 3.000 2.144 1.995 2.570 . 0 0 "[ . 1 . 2 ]" 1
78 1 63 ILE MG 1 64 THR H 3.000 . 5.000 3.461 3.260 3.792 . 0 0 "[ . 1 . 2 ]" 1
79 1 86 MET H 1 87 LEU H 2.200 . 3.000 2.475 2.338 2.624 . 0 0 "[ . 1 . 2 ]" 1
80 1 85 ALA MB 1 86 MET H 2.200 . 3.000 3.068 3.063 3.080 0.080 1 0 "[ . 1 . 2 ]" 1
81 1 88 TYR H 1 89 SER H 2.200 . 3.000 2.319 2.256 2.438 . 0 0 "[ . 1 . 2 ]" 1
82 1 88 TYR HA 1 89 SER H 2.200 . 3.000 3.014 3.007 3.020 0.020 11 0 "[ . 1 . 2 ]" 1
83 1 25 LYS QB 1 26 THR H 2.200 . 3.000 2.860 2.664 2.947 . 0 0 "[ . 1 . 2 ]" 1
84 1 58 MET HA 1 59 THR H 2.200 . 3.000 2.201 2.181 2.222 . 0 0 "[ . 1 . 2 ]" 1
85 1 58 MET QG 1 59 THR H 2.200 . 3.000 2.876 2.359 3.010 0.010 8 0 "[ . 1 . 2 ]" 1
86 1 36 ASP HA 1 37 GLY H 2.200 . 3.000 2.696 2.358 3.003 0.003 3 0 "[ . 1 . 2 ]" 1
87 1 49 ARG H 1 50 GLY H 3.000 . 5.000 2.847 2.809 2.922 . 0 0 "[ . 1 . 2 ]" 1
88 1 49 ARG QB 1 50 GLY H 2.200 . 3.000 2.378 2.203 2.467 . 0 0 "[ . 1 . 2 ]" 1
89 1 43 VAL MG1 1 80 TYR H 3.000 . 5.000 3.936 3.092 4.340 . 0 0 "[ . 1 . 2 ]" 1
90 1 79 ASP QB 1 80 TYR H 3.000 . 5.000 3.794 3.569 3.997 . 0 0 "[ . 1 . 2 ]" 1
91 1 42 PHE HA 1 80 TYR H 3.000 . 5.000 2.808 1.974 3.115 . 0 0 "[ . 1 . 2 ]" 1
92 1 80 TYR H 1 83 PHE H 3.000 . 5.000 4.847 4.783 4.994 . 0 0 "[ . 1 . 2 ]" 1
93 1 42 PHE QD 1 80 TYR H 4.300 . 6.000 2.922 2.319 4.057 . 0 0 "[ . 1 . 2 ]" 1
94 1 78 ILE MD 1 79 ASP H 4.300 . 6.000 4.573 3.930 4.987 . 0 0 "[ . 1 . 2 ]" 1
95 1 78 ILE MG 1 79 ASP H 3.000 . 5.000 2.030 1.908 2.270 . 0 0 "[ . 1 . 2 ]" 1
96 1 78 ILE HG13 1 79 ASP H 3.000 . 5.000 4.831 4.518 4.920 . 0 0 "[ . 1 . 2 ]" 1
97 1 79 ASP H 1 82 ALA MB 3.000 . 5.000 3.201 2.960 3.344 . 0 0 "[ . 1 . 2 ]" 1
98 1 78 ILE HB 1 79 ASP H 3.000 . 5.000 3.795 3.538 4.097 . 0 0 "[ . 1 . 2 ]" 1
99 1 78 ILE HG12 1 79 ASP H 4.300 . 6.000 4.059 3.168 4.772 . 0 0 "[ . 1 . 2 ]" 1
100 1 42 PHE QD 1 79 ASP H 4.300 . 6.000 5.599 4.976 6.003 0.003 21 0 "[ . 1 . 2 ]" 1
101 1 42 PHE QE 1 79 ASP H 4.300 . 6.000 5.415 4.411 6.003 0.003 13 0 "[ . 1 . 2 ]" 1
102 1 79 ASP H 1 83 PHE H 4.300 . 6.000 4.564 4.394 4.940 . 0 0 "[ . 1 . 2 ]" 1
103 1 90 VAL HB 1 91 ASP H 3.000 . 5.000 4.338 4.068 4.652 . 0 0 "[ . 1 . 2 ]" 1
104 1 89 SER QB 1 91 ASP H 4.300 . 5.000 4.520 3.447 5.003 0.003 2 0 "[ . 1 . 2 ]" 1
105 1 50 GLY H 1 51 ILE H 2.200 . 3.000 2.737 2.696 2.787 . 0 0 "[ . 1 . 2 ]" 1
106 1 49 ARG QG 1 50 GLY H 3.000 . 5.000 4.070 3.638 4.296 . 0 0 "[ . 1 . 2 ]" 1
107 1 49 ARG QD 1 50 GLY H 4.300 . 6.000 4.475 3.930 5.197 . 0 0 "[ . 1 . 2 ]" 1
108 1 47 GLU HA 1 50 GLY H 3.000 . 5.000 3.633 3.496 3.793 . 0 0 "[ . 1 . 2 ]" 1
109 1 48 PHE HA 1 50 GLY H 4.300 . 6.000 4.587 4.496 4.667 . 0 0 "[ . 1 . 2 ]" 1
110 1 54 ASP HA 1 55 GLY H 3.000 . 5.000 3.125 3.118 3.133 . 0 0 "[ . 1 . 2 ]" 1
111 1 54 ASP QB 1 55 GLY H 3.000 . 5.000 3.636 3.622 3.652 . 0 0 "[ . 1 . 2 ]" 1
112 1 52 ILE MG 1 55 GLY H 3.000 . 5.000 4.284 4.149 4.471 . 0 0 "[ . 1 . 2 ]" 1
113 1 45 VAL MG1 1 49 ARG HE 4.300 . 6.000 3.559 2.193 5.341 . 0 0 "[ . 1 . 2 ]" 1
114 1 40 ASP QB 1 41 GLY H 4.300 . 6.000 2.859 1.967 4.044 . 0 0 "[ . 1 . 2 ]" 1
115 1 40 ASP HA 1 41 GLY H 3.000 . 5.000 2.616 2.150 3.537 . 0 0 "[ . 1 . 2 ]" 1
116 1 35 PHE HA 1 37 GLY H 4.300 . 6.000 3.939 3.224 5.000 . 0 0 "[ . 1 . 2 ]" 1
117 1 36 ASP QB 1 37 GLY H 3.000 . 5.000 3.916 3.746 4.049 . 0 0 "[ . 1 . 2 ]" 1
118 1 58 MET H 1 59 THR H 3.000 . 5.000 4.378 4.207 4.567 . 0 0 "[ . 1 . 2 ]" 1
119 1 59 THR H 1 63 ILE H 4.300 . 6.000 4.495 4.276 4.789 . 0 0 "[ . 1 . 2 ]" 1
120 1 58 MET QB 1 59 THR H 3.000 . 5.000 3.349 3.176 3.624 . 0 0 "[ . 1 . 2 ]" 1
121 1 59 THR H 1 62 GLU QB 3.000 . 5.000 3.437 2.354 3.926 . 0 0 "[ . 1 . 2 ]" 1
122 1 72 PRO QG 1 73 ASN QD 3.000 . 5.000 3.132 2.230 4.078 . 0 0 "[ . 1 . 2 ]" 1
123 1 72 PRO QG 1 73 ASN HD22 3.000 . 5.000 3.487 2.461 4.363 . 0 0 "[ . 1 . 2 ]" 1
124 1 73 ASN HD22 1 75 THR MG 3.000 . 5.000 4.066 2.642 4.610 . 0 0 "[ . 1 . 2 ]" 1
125 1 73 ASN QD 1 75 THR MG 4.300 . 6.000 2.922 2.438 3.478 . 0 0 "[ . 1 . 2 ]" 1
126 1 73 ASN H 1 75 THR MG 3.000 . 5.000 4.024 3.809 4.202 . 0 0 "[ . 1 . 2 ]" 1
127 1 72 PRO QG 1 73 ASN H 3.000 . 5.000 2.195 1.969 2.527 . 0 0 "[ . 1 . 2 ]" 1
128 1 72 PRO QB 1 73 ASN H 4.300 . 6.000 2.992 2.687 3.265 . 0 0 "[ . 1 . 2 ]" 1
129 1 72 PRO QD 1 73 ASN H 3.000 . 5.000 2.778 2.634 2.960 . 0 0 "[ . 1 . 2 ]" 1
130 1 72 PRO HA 1 73 ASN H 3.000 . 5.000 3.547 3.502 3.577 . 0 0 "[ . 1 . 2 ]" 1
131 1 71 ASP HA 1 73 ASN H 3.000 . 5.000 3.951 3.543 4.304 . 0 0 "[ . 1 . 2 ]" 1
132 1 25 LYS QG 1 26 THR H 3.000 . 5.000 4.256 4.009 4.665 . 0 0 "[ . 1 . 2 ]" 1
133 1 24 GLU QB 1 26 THR H 3.000 . 5.000 4.817 4.765 4.952 . 0 0 "[ . 1 . 2 ]" 1
134 1 23 ASP QB 1 26 THR H 4.300 . 5.000 4.212 4.175 4.304 . 0 0 "[ . 1 . 2 ]" 1
135 1 23 ASP HA 1 26 THR H 3.000 . 5.000 2.944 2.836 2.983 . 0 0 "[ . 1 . 2 ]" 1
136 1 84 ALA HA 1 88 TYR H 3.000 . 5.000 4.939 4.603 5.008 0.008 11 0 "[ . 1 . 2 ]" 1
137 1 88 TYR H 1 89 SER HA 4.300 . 6.000 4.392 4.261 4.561 . 0 0 "[ . 1 . 2 ]" 1
138 1 85 ALA HA 1 88 TYR H 3.000 . 5.000 3.219 3.013 3.446 . 0 0 "[ . 1 . 2 ]" 1
139 1 78 ILE HA 1 80 TYR H 4.300 . 6.000 5.372 5.298 5.556 . 0 0 "[ . 1 . 2 ]" 1
140 1 82 ALA HA 1 83 PHE H 3.000 . 5.000 3.467 3.449 3.523 . 0 0 "[ . 1 . 2 ]" 1
141 1 80 TYR HA 1 83 PHE H 3.000 . 5.000 3.615 3.514 3.685 . 0 0 "[ . 1 . 2 ]" 1
142 1 83 PHE H 1 84 ALA HA 4.300 . 6.000 4.944 4.903 5.136 . 0 0 "[ . 1 . 2 ]" 1
143 1 78 ILE MG 1 83 PHE H 3.000 . 5.000 3.388 3.300 3.760 . 0 0 "[ . 1 . 2 ]" 1
144 1 78 ILE MD 1 83 PHE H 4.300 . 6.000 5.457 4.975 5.529 . 0 0 "[ . 1 . 2 ]" 1
145 1 83 PHE H 1 86 MET H 4.300 . 6.000 5.069 4.654 5.334 . 0 0 "[ . 1 . 2 ]" 1
146 1 80 TYR QD 1 81 LYS H 3.000 . 5.000 3.738 3.390 4.023 . 0 0 "[ . 1 . 2 ]" 1
147 1 79 ASP HA 1 81 LYS H 4.300 . 6.000 3.838 3.691 3.937 . 0 0 "[ . 1 . 2 ]" 1
148 1 80 TYR QB 1 81 LYS H 3.000 . 3.000 2.596 2.566 2.696 . 0 0 "[ . 1 . 2 ]" 1
149 1 79 ASP HA 1 82 ALA H 4.300 . 6.000 4.502 4.419 4.610 . 0 0 "[ . 1 . 2 ]" 1
150 1 81 LYS HA 1 82 ALA H 3.000 . 5.000 3.569 3.561 3.573 . 0 0 "[ . 1 . 2 ]" 1
151 1 79 ASP QB 1 82 ALA H 3.000 . 5.000 2.412 2.186 2.711 . 0 0 "[ . 1 . 2 ]" 1
152 1 80 TYR QB 1 82 ALA H 3.000 . 5.000 5.004 4.921 5.019 0.019 6 0 "[ . 1 . 2 ]" 1
153 1 81 LYS QE 1 82 ALA H 4.300 . 6.000 5.396 4.106 6.014 0.014 1 0 "[ . 1 . 2 ]" 1
154 1 26 THR H 1 27 GLN H 2.200 . 3.000 2.596 2.518 2.721 . 0 0 "[ . 1 . 2 ]" 1
155 1 88 TYR QD 1 89 SER H 3.000 . 5.000 4.711 4.275 4.941 . 0 0 "[ . 1 . 2 ]" 1
156 1 86 MET H 1 89 SER H 3.000 . 5.000 5.000 4.868 5.037 0.037 1 0 "[ . 1 . 2 ]" 1
157 1 86 MET HA 1 89 SER H 3.000 . 5.000 3.931 3.754 4.124 . 0 0 "[ . 1 . 2 ]" 1
158 1 88 TYR QB 1 89 SER H 3.000 . 5.000 3.731 3.708 4.026 . 0 0 "[ . 1 . 2 ]" 1
159 1 84 ALA MB 1 86 MET H 3.000 . 5.000 4.239 4.113 4.281 . 0 0 "[ . 1 . 2 ]" 1
160 1 84 ALA HA 1 86 MET H 3.000 . 5.000 3.603 3.485 3.792 . 0 0 "[ . 1 . 2 ]" 1
161 1 83 PHE HA 1 86 MET H 3.000 . 5.000 3.890 3.754 4.085 . 0 0 "[ . 1 . 2 ]" 1
162 1 84 ALA H 1 86 MET H 4.300 . 6.000 3.961 3.637 4.132 . 0 0 "[ . 1 . 2 ]" 1
163 1 60 GLU H 1 62 GLU H 4.300 . 6.000 4.515 3.943 4.697 . 0 0 "[ . 1 . 2 ]" 1
164 1 60 GLU H 1 63 ILE MD 4.300 . 6.000 3.150 3.057 3.205 . 0 0 "[ . 1 . 2 ]" 1
165 1 43 VAL HA 1 44 SER H 4.300 . 6.000 2.173 2.141 2.345 . 0 0 "[ . 1 . 2 ]" 1
166 1 43 VAL HB 1 44 SER H 4.300 . 6.000 4.194 3.858 4.389 . 0 0 "[ . 1 . 2 ]" 1
167 1 68 GLU HA 1 69 ALA H 3.000 . 5.000 3.481 3.461 3.528 . 0 0 "[ . 1 . 2 ]" 1
168 1 83 PHE HA 1 87 LEU H 4.300 . 6.000 5.621 5.222 5.985 . 0 0 "[ . 1 . 2 ]" 1
169 1 84 ALA HA 1 87 LEU H 3.000 . 5.000 3.598 3.400 3.864 . 0 0 "[ . 1 . 2 ]" 1
170 1 69 ALA H 1 70 ALA MB 4.300 . 5.000 3.976 3.896 4.160 . 0 0 "[ . 1 . 2 ]" 1
171 1 68 GLU QB 1 69 ALA H 3.000 . 5.000 3.034 2.692 3.569 . 0 0 "[ . 1 . 2 ]" 1
172 1 68 GLU QG 1 69 ALA H 4.300 . 6.000 3.407 2.043 3.964 . 0 0 "[ . 1 . 2 ]" 1
173 1 71 ASP H 1 72 PRO HA 4.300 . 6.000 4.954 4.773 5.150 . 0 0 "[ . 1 . 2 ]" 1
174 1 69 ALA HA 1 71 ASP H 3.000 . 5.000 4.272 4.098 4.864 . 0 0 "[ . 1 . 2 ]" 1
175 1 71 ASP H 1 72 PRO QD 3.000 . 5.000 4.084 3.755 4.230 . 0 0 "[ . 1 . 2 ]" 1
176 1 71 ASP H 1 78 ILE MD 4.300 . 6.000 5.445 4.309 5.758 . 0 0 "[ . 1 . 2 ]" 1
177 1 71 ASP H 1 78 ILE MG 4.300 . 6.000 4.956 4.018 5.490 . 0 0 "[ . 1 . 2 ]" 1
178 1 69 ALA MB 1 71 ASP H 3.000 . 5.000 4.700 4.644 5.005 0.005 2 0 "[ . 1 . 2 ]" 1
179 1 69 ALA H 1 71 ASP H 3.000 . 5.000 4.026 3.880 4.414 . 0 0 "[ . 1 . 2 ]" 1
180 1 71 ASP HA 1 74 ASN H 4.300 . 6.000 4.128 3.878 4.338 . 0 0 "[ . 1 . 2 ]" 1
181 1 74 ASN H 1 75 THR H 3.000 . 5.000 2.500 2.436 2.609 . 0 0 "[ . 1 . 2 ]" 1
182 1 73 ASN HA 1 74 ASN H 3.000 . 5.000 3.489 3.468 3.507 . 0 0 "[ . 1 . 2 ]" 1
183 1 74 ASN H 1 75 THR HA 3.000 . 5.000 5.048 5.034 5.078 0.078 1 0 "[ . 1 . 2 ]" 1
184 1 74 ASN H 1 75 THR MG 3.000 . 5.000 3.437 3.288 3.635 . 0 0 "[ . 1 . 2 ]" 1
185 1 75 THR H 1 77 PHE H 4.300 . 6.000 3.377 3.138 3.849 . 0 0 "[ . 1 . 2 ]" 1
186 1 77 PHE H 1 78 ILE H 4.300 . 6.000 4.358 4.217 4.506 . 0 0 "[ . 1 . 2 ]" 1
187 1 76 GLY QA 1 77 PHE H 3.000 . 5.000 2.832 2.769 2.888 . 0 0 "[ . 1 . 2 ]" 1
188 1 75 THR MG 1 77 PHE H 3.000 . 5.000 3.280 2.151 4.585 . 0 0 "[ . 1 . 2 ]" 1
189 1 45 VAL MG2 1 77 PHE H 4.300 . 6.000 2.841 2.371 3.152 . 0 0 "[ . 1 . 2 ]" 1
190 1 45 VAL MG1 1 77 PHE H 4.300 . 6.000 4.987 4.666 5.293 . 0 0 "[ . 1 . 2 ]" 1
191 1 45 VAL H 1 77 PHE HA 3.000 . 5.000 1.960 1.799 2.092 0.001 1 0 "[ . 1 . 2 ]" 1
192 1 62 GLU H 1 64 THR H 3.000 . 5.000 4.349 3.632 4.590 . 0 0 "[ . 1 . 2 ]" 1
193 1 64 THR H 1 66 PHE H 3.000 . 5.000 3.777 3.647 3.826 . 0 0 "[ . 1 . 2 ]" 1
194 1 61 ALA HA 1 64 THR H 3.000 . 5.000 4.160 4.111 4.283 . 0 0 "[ . 1 . 2 ]" 1
195 1 63 ILE HA 1 64 THR H 3.000 . 5.000 3.555 3.539 3.559 . 0 0 "[ . 1 . 2 ]" 1
196 1 63 ILE HG12 1 64 THR H 3.000 . 5.000 4.701 4.628 4.922 . 0 0 "[ . 1 . 2 ]" 1
197 1 61 ALA MB 1 64 THR H 3.000 . 5.000 5.050 5.025 5.133 0.133 1 0 "[ . 1 . 2 ]" 1
198 1 24 GLU H 1 26 THR H 4.300 . 6.000 4.045 4.010 4.154 . 0 0 "[ . 1 . 2 ]" 1
199 1 22 SER HA 1 24 GLU H 3.000 . 5.000 3.383 3.221 3.689 . 0 0 "[ . 1 . 2 ]" 1
200 1 22 SER H 1 24 GLU H 3.000 . 5.000 4.296 4.137 4.449 . 0 0 "[ . 1 . 2 ]" 1
201 1 22 SER QB 1 24 GLU H 3.000 . 5.000 4.684 4.484 4.951 . 0 0 "[ . 1 . 2 ]" 1
202 1 46 GLU HA 1 48 PHE H 4.300 . 5.000 4.368 4.122 4.601 . 0 0 "[ . 1 . 2 ]" 1
203 1 45 VAL HA 1 48 PHE H 4.300 . 5.000 3.154 2.966 3.674 . 0 0 "[ . 1 . 2 ]" 1
204 1 46 GLU QB 1 48 PHE H 4.300 . 6.000 4.594 4.288 4.736 . 0 0 "[ . 1 . 2 ]" 1
205 1 45 VAL MG2 1 48 PHE H 4.300 . 6.000 4.971 4.769 5.357 . 0 0 "[ . 1 . 2 ]" 1
206 1 43 VAL MG2 1 48 PHE H 3.000 . 5.000 3.138 2.900 3.254 . 0 0 "[ . 1 . 2 ]" 1
207 1 87 LEU H 1 88 TYR QB 4.300 . 5.000 4.234 4.046 4.479 . 0 0 "[ . 1 . 2 ]" 1
208 1 86 MET QG 1 87 LEU H 3.000 . 5.000 4.163 3.735 4.608 . 0 0 "[ . 1 . 2 ]" 1
209 1 86 MET ME 1 87 LEU H 4.300 . 6.000 5.592 3.915 6.007 0.007 1 0 "[ . 1 . 2 ]" 1
210 1 59 THR H 1 62 GLU H 3.000 . 5.000 4.012 3.823 4.305 . 0 0 "[ . 1 . 2 ]" 1
211 1 59 THR HB 1 62 GLU H 3.000 . 5.000 3.263 2.890 3.542 . 0 0 "[ . 1 . 2 ]" 1
212 1 61 ALA HA 1 62 GLU H 3.000 . 5.000 3.553 3.459 3.575 . 0 0 "[ . 1 . 2 ]" 1
213 1 59 THR HA 1 62 GLU H 4.300 . 6.000 4.717 4.390 4.837 . 0 0 "[ . 1 . 2 ]" 1
214 1 83 PHE HA 1 85 ALA H 4.300 . 6.000 4.201 3.941 4.759 . 0 0 "[ . 1 . 2 ]" 1
215 1 81 LYS HA 1 85 ALA H 3.000 . 5.000 3.680 3.251 3.979 . 0 0 "[ . 1 . 2 ]" 1
216 1 84 ALA HA 1 85 ALA H 3.000 . 5.000 3.474 3.425 3.550 . 0 0 "[ . 1 . 2 ]" 1
217 1 29 ILE HA 1 32 PHE H 3.000 . 5.000 3.556 3.498 4.016 . 0 0 "[ . 1 . 2 ]" 1
218 1 90 VAL H 1 91 ASP H 2.200 . 3.000 2.553 2.148 3.003 0.003 17 0 "[ . 1 . 2 ]" 1
219 1 22 SER QB 1 23 ASP H 3.000 . 5.000 3.652 3.484 3.900 . 0 0 "[ . 1 . 2 ]" 1
220 1 48 PHE QD 1 49 ARG H 4.300 . 6.000 4.436 4.357 4.506 . 0 0 "[ . 1 . 2 ]" 1
221 1 48 PHE QB 1 49 ARG H 3.000 . 5.000 2.717 2.613 2.876 . 0 0 "[ . 1 . 2 ]" 1
222 1 60 GLU H 1 63 ILE H 4.300 . 6.000 4.978 4.561 5.097 . 0 0 "[ . 1 . 2 ]" 1
223 1 63 ILE H 1 65 GLU H 3.000 . 5.000 4.250 3.937 4.339 . 0 0 "[ . 1 . 2 ]" 1
224 1 61 ALA HA 1 63 ILE H 3.000 . 5.000 5.002 4.774 5.038 0.038 18 0 "[ . 1 . 2 ]" 1
225 1 61 ALA MB 1 63 ILE H 3.000 . 5.000 4.736 4.685 4.884 . 0 0 "[ . 1 . 2 ]" 1
226 1 58 MET QB 1 63 ILE H 3.000 . 5.000 3.523 3.152 4.232 . 0 0 "[ . 1 . 2 ]" 1
227 1 45 VAL H 1 77 PHE QD 4.300 . 6.000 4.029 2.839 4.370 . 0 0 "[ . 1 . 2 ]" 1
228 1 44 SER H 1 45 VAL H 4.300 . 6.000 4.604 4.525 4.636 . 0 0 "[ . 1 . 2 ]" 1
229 1 23 ASP HA 1 25 LYS H 4.300 . 5.000 3.375 3.364 3.417 . 0 0 "[ . 1 . 2 ]" 1
230 1 55 GLY QA 1 56 LEU H 3.000 . 5.000 2.293 2.237 2.544 . 0 0 "[ . 1 . 2 ]" 1
231 1 52 ILE MG 1 56 LEU H 3.000 . 5.000 3.374 3.042 4.236 . 0 0 "[ . 1 . 2 ]" 1
232 1 35 PHE QD 1 36 ASP H 3.000 . 5.000 4.371 3.734 4.988 . 0 0 "[ . 1 . 2 ]" 1
233 1 35 PHE QB 1 36 ASP H 3.000 . 5.000 3.951 3.792 4.053 . 0 0 "[ . 1 . 2 ]" 1
234 1 91 ASP QB 1 92 GLU H 3.000 . 5.000 3.344 2.128 3.866 . 0 0 "[ . 1 . 2 ]" 1
235 1 48 PHE HA 1 51 ILE H 3.000 . 5.000 3.477 3.396 3.560 . 0 0 "[ . 1 . 2 ]" 1
236 1 49 ARG H 1 51 ILE H 4.300 . 6.000 4.013 3.956 4.276 . 0 0 "[ . 1 . 2 ]" 1
237 1 27 GLN QG 1 28 LEU H 4.300 . 6.000 4.308 3.970 4.593 . 0 0 "[ . 1 . 2 ]" 1
238 1 27 GLN QB 1 28 LEU H 3.000 . 5.000 2.931 2.778 2.973 . 0 0 "[ . 1 . 2 ]" 1
239 1 29 ILE HA 1 31 ALA H 4.300 . 5.000 3.223 3.207 3.261 . 0 0 "[ . 1 . 2 ]" 1
240 1 30 GLU QG 1 31 ALA H 4.300 . 5.000 4.408 4.127 4.623 . 0 0 "[ . 1 . 2 ]" 1
241 1 83 PHE QD 1 84 ALA H 3.000 . 5.000 4.693 4.616 4.720 . 0 0 "[ . 1 . 2 ]" 1
242 1 84 ALA H 1 87 LEU H 4.300 . 6.000 5.451 5.229 5.620 . 0 0 "[ . 1 . 2 ]" 1
243 1 39 TYR QB 1 40 ASP H 3.000 . 5.000 3.056 1.925 3.990 . 0 0 "[ . 1 . 2 ]" 1
244 1 81 LYS HA 1 84 ALA H 3.000 . 5.000 3.023 2.972 3.155 . 0 0 "[ . 1 . 2 ]" 1
245 1 82 ALA HA 1 84 ALA H 3.000 . 5.000 4.461 4.388 4.613 . 0 0 "[ . 1 . 2 ]" 1
246 1 83 PHE HA 1 84 ALA H 3.000 . 5.000 3.498 3.485 3.543 . 0 0 "[ . 1 . 2 ]" 1
247 1 82 ALA MB 1 84 ALA H 3.000 . 5.000 4.569 4.526 4.625 . 0 0 "[ . 1 . 2 ]" 1
248 1 59 THR HA 1 61 ALA H 3.000 . 5.000 4.413 4.285 4.577 . 0 0 "[ . 1 . 2 ]" 1
249 1 60 GLU QG 1 61 ALA H 3.000 . 5.000 1.873 1.796 1.917 0.004 11 0 "[ . 1 . 2 ]" 1
250 1 32 PHE HA 1 35 PHE H 3.000 . 5.000 4.316 3.795 4.786 . 0 0 "[ . 1 . 2 ]" 1
251 1 34 ASN HD22 1 35 PHE H 4.300 . 6.000 5.873 5.235 6.045 0.045 1 0 "[ . 1 . 2 ]" 1
252 1 34 ASN H 1 35 PHE H 2.200 . 3.000 2.003 1.815 2.431 . 0 0 "[ . 1 . 2 ]" 1
253 1 34 ASN QB 1 35 PHE H 3.000 . 5.000 3.879 3.755 4.044 . 0 0 "[ . 1 . 2 ]" 1
254 1 62 GLU H 1 65 GLU H 3.000 . 5.000 4.430 4.114 4.531 . 0 0 "[ . 1 . 2 ]" 1
255 1 61 ALA HA 1 65 GLU H 3.000 . 5.000 3.120 3.044 3.330 . 0 0 "[ . 1 . 2 ]" 1
256 1 65 GLU H 1 66 PHE QB 3.000 . 5.000 4.311 4.239 4.383 . 0 0 "[ . 1 . 2 ]" 1
257 1 61 ALA H 1 65 GLU H 3.000 . 5.000 5.113 5.068 5.149 0.149 9 0 "[ . 1 . 2 ]" 1
258 1 63 ILE MG 1 65 GLU H 4.300 . 6.000 5.262 5.188 5.387 . 0 0 "[ . 1 . 2 ]" 1
259 1 63 ILE HA 1 65 GLU H 4.300 . 6.000 4.732 4.563 4.805 . 0 0 "[ . 1 . 2 ]" 1
260 1 38 ASP QB 1 39 TYR H 3.000 . 5.000 3.938 3.724 4.045 . 0 0 "[ . 1 . 2 ]" 1
261 1 64 THR MG 1 66 PHE H 4.300 . 6.000 4.458 4.437 4.484 . 0 0 "[ . 1 . 2 ]" 1
262 1 65 GLU QG 1 66 PHE H 3.000 . 5.000 4.189 4.117 4.511 . 0 0 "[ . 1 . 2 ]" 1
263 1 63 ILE HA 1 66 PHE H 3.000 . 5.000 3.563 3.428 3.672 . 0 0 "[ . 1 . 2 ]" 1
264 1 37 GLY H 1 39 TYR H 4.300 . 6.000 4.374 3.220 5.551 . 0 0 "[ . 1 . 2 ]" 1
265 1 47 GLU H 1 50 GLY H 4.300 . 6.000 5.248 5.100 5.594 . 0 0 "[ . 1 . 2 ]" 1
266 1 46 GLU HA 1 47 GLU H 3.000 . 5.000 3.510 3.482 3.572 . 0 0 "[ . 1 . 2 ]" 1
267 1 43 VAL MG2 1 47 GLU H 4.300 . 6.000 4.135 4.016 4.263 . 0 0 "[ . 1 . 2 ]" 1
268 1 52 ILE HA 1 53 ARG H 3.000 . 5.000 3.505 3.473 3.568 . 0 0 "[ . 1 . 2 ]" 1
269 1 52 ILE MG 1 53 ARG H 3.000 . 5.000 3.429 1.976 3.740 . 0 0 "[ . 1 . 2 ]" 1
270 1 48 PHE HA 1 49 ARG H 4.300 . 6.000 3.524 3.488 3.553 . 0 0 "[ . 1 . 2 ]" 1
271 1 45 VAL MG1 1 46 GLU H 3.000 . 5.000 3.352 3.106 3.807 . 0 0 "[ . 1 . 2 ]" 1
272 1 45 VAL MG2 1 46 GLU H 3.000 . 5.000 3.727 3.646 3.863 . 0 0 "[ . 1 . 2 ]" 1
273 1 53 ARG QB 1 54 ASP H 3.000 . 5.000 2.289 1.973 2.787 . 0 0 "[ . 1 . 2 ]" 1
274 1 66 PHE QD 1 67 PHE H 3.000 . 5.000 4.510 4.432 4.746 . 0 0 "[ . 1 . 2 ]" 1
275 1 67 PHE H 1 69 ALA H 4.300 . 6.000 3.804 3.701 3.987 . 0 0 "[ . 1 . 2 ]" 1
276 1 51 ILE HG12 1 52 ILE H 4.300 . 5.000 4.989 4.907 5.022 0.022 1 0 "[ . 1 . 2 ]" 1
277 1 51 ILE HA 1 52 ILE H 3.000 . 5.000 3.524 3.461 3.556 . 0 0 "[ . 1 . 2 ]" 1
278 1 48 PHE HA 1 52 ILE H 4.300 . 6.000 4.207 3.777 4.620 . 0 0 "[ . 1 . 2 ]" 1
279 1 42 PHE H 1 43 VAL H 4.300 . 6.000 4.250 4.075 4.626 . 0 0 "[ . 1 . 2 ]" 1
280 1 40 ASP HA 1 42 PHE H 3.000 . 5.000 4.397 3.552 5.010 0.010 10 0 "[ . 1 . 2 ]" 1
281 1 40 ASP QB 1 42 PHE H 3.000 . 5.000 3.406 2.416 4.793 . 0 0 "[ . 1 . 2 ]" 1
282 1 45 VAL HA 1 47 GLU H 4.300 . 6.000 4.200 3.921 5.001 . 0 0 "[ . 1 . 2 ]" 1
283 1 45 VAL HB 1 46 GLU H 3.000 . 5.000 2.430 2.242 2.910 . 0 0 "[ . 1 . 2 ]" 1
284 1 45 VAL HA 1 46 GLU H 3.000 . 5.000 3.545 3.473 3.569 . 0 0 "[ . 1 . 2 ]" 1
285 1 44 SER QB 1 46 GLU H 3.000 . 5.000 3.021 2.331 3.524 . 0 0 "[ . 1 . 2 ]" 1
286 1 44 SER HA 1 46 GLU H 3.000 . 5.000 4.453 4.027 4.686 . 0 0 "[ . 1 . 2 ]" 1
287 1 31 ALA HA 1 34 ASN H 3.000 . 5.000 4.206 3.897 5.029 0.029 1 0 "[ . 1 . 2 ]" 1
288 1 33 TYR QB 1 34 ASN H 3.000 . 5.000 3.819 3.735 3.883 . 0 0 "[ . 1 . 2 ]" 1
289 1 29 ILE H 1 87 LEU QD 4.300 . 6.000 4.756 4.381 5.044 . 0 0 "[ . 1 . 2 ]" 1
290 1 29 ILE MG 1 30 GLU H 3.000 . 5.000 3.726 3.558 3.771 . 0 0 "[ . 1 . 2 ]" 1
291 1 29 ILE HG13 1 30 GLU H 4.300 . 6.000 5.172 5.154 5.234 . 0 0 "[ . 1 . 2 ]" 1
292 1 26 THR HA 1 29 ILE H 3.000 . 5.000 3.037 3.012 3.139 . 0 0 "[ . 1 . 2 ]" 1
293 1 38 ASP H 1 39 TYR H 2.200 . 3.000 2.682 1.994 3.002 0.002 7 0 "[ . 1 . 2 ]" 1
294 1 67 PHE QD 1 68 GLU H 3.000 . 5.000 4.628 4.496 4.689 . 0 0 "[ . 1 . 2 ]" 1
295 1 67 PHE H 1 68 GLU H 2.200 . 3.000 2.459 2.311 2.648 . 0 0 "[ . 1 . 2 ]" 1
296 1 64 THR HB 1 68 GLU H 4.300 . 6.000 5.945 5.734 6.015 0.015 6 0 "[ . 1 . 2 ]" 1
297 1 68 GLU H 1 69 ALA MB 3.000 . 5.000 4.033 3.956 4.160 . 0 0 "[ . 1 . 2 ]" 1
298 1 64 THR MG 1 68 GLU H 3.000 . 5.000 4.247 4.054 4.352 . 0 0 "[ . 1 . 2 ]" 1
299 1 57 PRO QD 1 58 MET H 4.300 . 6.000 4.517 3.896 4.894 . 0 0 "[ . 1 . 2 ]" 1
300 1 78 ILE MG 1 80 TYR H 4.300 . 6.000 3.439 2.952 4.613 . 0 0 "[ . 1 . 2 ]" 1
301 1 47 GLU HA 1 48 PHE H 3.000 . 5.000 3.483 3.467 3.532 . 0 0 "[ . 1 . 2 ]" 1
302 1 84 ALA MB 1 88 TYR QD 3.000 . 5.000 2.936 2.160 4.151 . 0 0 "[ . 1 . 2 ]" 1
303 1 48 PHE QD 1 52 ILE MD 3.000 . 3.000 2.991 2.873 3.015 0.015 6 0 "[ . 1 . 2 ]" 1
304 1 84 ALA HA 1 88 TYR QD 3.000 . 5.000 4.018 3.581 4.397 . 0 0 "[ . 1 . 2 ]" 1
305 1 85 ALA HA 1 88 TYR QD 4.300 . 5.000 3.558 3.126 4.024 . 0 0 "[ . 1 . 2 ]" 1
306 1 87 LEU QD 1 88 TYR QD 4.300 . 6.000 4.284 3.208 4.563 . 0 0 "[ . 1 . 2 ]" 1
307 1 80 TYR QD 1 84 ALA MB 3.000 . 5.000 3.201 2.812 3.630 . 0 0 "[ . 1 . 2 ]" 1
308 1 28 LEU QD 1 66 PHE QD 4.300 . 6.000 5.285 4.171 6.004 0.004 2 0 "[ . 1 . 2 ]" 1
309 1 67 PHE QD 1 78 ILE MD 3.000 . 5.000 1.904 1.765 2.071 0.035 1 0 "[ . 1 . 2 ]" 1
310 1 67 PHE QD 1 78 ILE MG 3.000 . 5.000 4.319 4.069 4.615 . 0 0 "[ . 1 . 2 ]" 1
311 1 48 PHE QD 1 78 ILE MD 3.000 . 5.000 2.096 1.836 3.469 . 0 0 "[ . 1 . 2 ]" 1
312 1 48 PHE QD 1 51 ILE HB 3.000 . 5.000 2.729 2.391 3.006 . 0 0 "[ . 1 . 2 ]" 1
313 1 45 VAL HA 1 48 PHE QD 4.300 . 5.000 3.280 3.143 3.415 . 0 0 "[ . 1 . 2 ]" 1
314 1 48 PHE QD 1 52 ILE HG12 3.000 . 5.000 2.495 2.057 5.010 0.010 20 0 "[ . 1 . 2 ]" 1
315 1 48 PHE QE 1 52 ILE MD 3.000 . 5.000 2.674 2.313 2.968 . 0 0 "[ . 1 . 2 ]" 1
316 1 48 PHE QE 1 78 ILE MD 4.300 . 6.000 2.670 2.211 3.847 . 0 0 "[ . 1 . 2 ]" 1
317 1 48 PHE QE 1 78 ILE MG 3.000 . 5.000 3.162 1.966 4.682 . 0 0 "[ . 1 . 2 ]" 1
318 1 30 GLU HA 1 33 TYR QD 4.300 . 5.000 2.760 2.092 3.369 . 0 0 "[ . 1 . 2 ]" 1
319 1 29 ILE MG 1 33 TYR QD 3.000 . 5.000 3.725 3.101 3.978 . 0 0 "[ . 1 . 2 ]" 1
320 1 80 TYR HA 1 83 PHE QD 4.300 . 5.000 4.692 4.493 4.857 . 0 0 "[ . 1 . 2 ]" 1
321 1 29 ILE HA 1 32 PHE QD 4.300 . 5.000 3.017 2.029 4.852 . 0 0 "[ . 1 . 2 ]" 1
322 1 83 PHE QD 1 84 ALA MB 4.300 . 6.000 5.320 5.256 5.389 . 0 0 "[ . 1 . 2 ]" 1
323 1 70 ALA MB 1 83 PHE QD 3.000 . 5.000 2.058 1.868 2.418 . 0 0 "[ . 1 . 2 ]" 1
324 1 78 ILE MG 1 83 PHE QD 3.000 . 5.000 2.263 1.950 3.117 . 0 0 "[ . 1 . 2 ]" 1
325 1 83 PHE QD 1 87 LEU QD 3.000 . 5.000 4.520 3.794 5.001 0.001 7 0 "[ . 1 . 2 ]" 1
326 1 49 ARG HA 1 67 PHE QE 3.000 . 5.000 3.618 3.189 4.020 . 0 0 "[ . 1 . 2 ]" 1
327 1 45 VAL HA 1 67 PHE QE 4.300 . 5.000 3.153 2.789 3.664 . 0 0 "[ . 1 . 2 ]" 1
328 1 52 ILE HB 1 67 PHE QE 4.300 . 6.000 4.840 4.578 5.187 . 0 0 "[ . 1 . 2 ]" 1
329 1 52 ILE HG12 1 67 PHE QE 4.300 . 6.000 5.007 4.796 5.703 . 0 0 "[ . 1 . 2 ]" 1
330 1 67 PHE QE 1 78 ILE MD . . 3.000 1.986 1.836 2.497 . 0 0 "[ . 1 . 2 ]" 1
331 1 52 ILE MD 1 67 PHE QE 3.000 . 5.000 4.928 4.257 5.008 0.008 12 0 "[ . 1 . 2 ]" 1
332 1 67 PHE QE 1 78 ILE MG 4.300 . 6.000 4.643 3.937 5.305 . 0 0 "[ . 1 . 2 ]" 1
333 1 52 ILE MG 1 67 PHE QE 4.300 . 6.000 4.750 4.144 4.924 . 0 0 "[ . 1 . 2 ]" 1
334 1 63 ILE MG 1 67 PHE QE 3.000 . 5.000 2.166 1.960 2.502 . 0 0 "[ . 1 . 2 ]" 1
335 1 45 VAL MG1 1 67 PHE QE 4.300 . 6.000 2.735 2.542 2.936 . 0 0 "[ . 1 . 2 ]" 1
336 1 83 PHE QE 1 87 LEU QD 4.300 . 6.000 5.371 4.638 6.003 0.003 16 0 "[ . 1 . 2 ]" 1
337 1 78 ILE MG 1 83 PHE QE 4.300 . 6.000 3.198 3.070 3.859 . 0 0 "[ . 1 . 2 ]" 1
338 1 70 ALA MB 1 83 PHE QE 4.300 . 6.000 1.889 1.821 2.218 . 0 0 "[ . 1 . 2 ]" 1
339 1 71 ASP HA 1 72 PRO QD 2.200 . 3.000 1.914 1.854 1.951 . 0 0 "[ . 1 . 2 ]" 1
340 1 56 LEU QB 1 57 PRO QD 2.200 . 3.000 2.478 2.214 3.001 0.001 1 0 "[ . 1 . 2 ]" 1
341 1 73 ASN QB 1 75 THR HG1 2.200 . 3.000 2.054 1.820 2.269 . 0 0 "[ . 1 . 2 ]" 1
342 1 50 GLY QA 1 51 ILE H 2.200 . 3.000 2.826 2.707 2.860 . 0 0 "[ . 1 . 2 ]" 1
343 1 70 ALA MB 1 78 ILE MD 2.200 . 3.000 2.937 1.813 3.016 0.016 5 0 "[ . 1 . 2 ]" 1
344 1 60 GLU HA 1 63 ILE MD 2.200 . 3.000 1.904 1.794 2.028 0.006 4 0 "[ . 1 . 2 ]" 1
345 1 73 ASN QB 1 75 THR MG 2.200 . 3.000 2.057 1.827 2.272 . 0 0 "[ . 1 . 2 ]" 1
346 1 57 PRO HA 1 58 MET H 2.200 . 3.000 2.336 2.134 2.685 . 0 0 "[ . 1 . 2 ]" 1
347 1 81 LYS HA 1 84 ALA MB 2.200 . 3.000 2.288 2.162 2.400 . 0 0 "[ . 1 . 2 ]" 1
348 1 44 SER HA 1 45 VAL H 2.200 . 3.000 2.310 2.236 2.453 . 0 0 "[ . 1 . 2 ]" 1
349 1 24 GLU QB 1 25 LYS H 2.200 . 3.000 3.041 3.024 3.048 0.048 2 0 "[ . 1 . 2 ]" 1
350 1 42 PHE HA 1 43 VAL H 3.000 . 5.000 2.155 2.136 2.426 . 0 0 "[ . 1 . 2 ]" 1
351 1 42 PHE HA 1 79 ASP HA 4.300 . 5.000 4.427 3.007 4.826 . 0 0 "[ . 1 . 2 ]" 1
352 1 42 PHE QB 1 79 ASP HA 3.000 . 5.000 4.904 4.412 5.004 0.004 11 0 "[ . 1 . 2 ]" 1
353 1 76 GLY QA 1 78 ILE HG13 3.000 . 5.000 5.022 4.882 5.070 0.070 6 0 "[ . 1 . 2 ]" 1
354 1 45 VAL MG1 1 76 GLY QA 3.000 . 5.000 2.949 2.766 3.359 . 0 0 "[ . 1 . 2 ]" 1
355 1 45 VAL HB 1 76 GLY QA 4.300 . 5.000 2.197 1.976 2.606 . 0 0 "[ . 1 . 2 ]" 1
356 1 45 VAL MG2 1 76 GLY QA 3.000 . 5.000 2.310 2.065 2.716 . 0 0 "[ . 1 . 2 ]" 1
357 1 77 PHE QB 1 78 ILE H 3.000 . 5.000 3.084 2.093 3.672 . 0 0 "[ . 1 . 2 ]" 1
358 1 77 PHE HA 1 78 ILE H 3.000 . 5.000 2.235 2.155 2.582 . 0 0 "[ . 1 . 2 ]" 1
359 1 44 SER HA 1 77 PHE HA 3.000 . 3.000 2.137 1.929 2.236 . 0 0 "[ . 1 . 2 ]" 1
360 1 45 VAL MG1 1 77 PHE HA 4.300 . 6.000 5.038 4.909 5.109 . 0 0 "[ . 1 . 2 ]" 1
361 1 45 VAL MG2 1 77 PHE HA 3.000 . 5.000 2.582 2.404 2.859 . 0 0 "[ . 1 . 2 ]" 1
362 1 78 ILE QG 1 80 TYR HA 3.000 . 5.000 3.259 2.836 4.334 . 0 0 "[ . 1 . 2 ]" 1
363 1 78 ILE QG 1 79 ASP H 3.000 . 5.000 2.020 1.904 2.239 . 0 0 "[ . 1 . 2 ]" 1
364 1 71 ASP QB 1 78 ILE QG 3.000 . 5.000 3.236 2.618 3.490 . 0 0 "[ . 1 . 2 ]" 1
365 1 78 ILE QG 1 83 PHE QB 3.000 . 5.000 2.248 2.090 2.594 . 0 0 "[ . 1 . 2 ]" 1
366 1 71 ASP QB 1 78 ILE HG13 3.000 . 5.000 4.164 3.314 4.582 . 0 0 "[ . 1 . 2 ]" 1
367 1 71 ASP QB 1 78 ILE MG 3.000 . 5.000 4.300 3.340 4.647 . 0 0 "[ . 1 . 2 ]" 1
368 1 70 ALA MB 1 71 ASP QB 3.000 . 5.000 3.430 3.227 3.702 . 0 0 "[ . 1 . 2 ]" 1
369 1 71 ASP QB 1 78 ILE MD 3.000 . 5.000 4.773 4.143 5.004 0.004 17 0 "[ . 1 . 2 ]" 1
370 1 84 ALA HA 1 88 TYR QE 3.000 . 5.000 4.167 3.498 4.786 . 0 0 "[ . 1 . 2 ]" 1
371 1 83 PHE QB 1 84 ALA HA 4.300 . 6.000 3.864 3.791 3.897 . 0 0 "[ . 1 . 2 ]" 1
372 1 84 ALA HA 1 87 LEU QD 3.000 . 3.000 2.933 2.551 3.012 0.012 1 0 "[ . 1 . 2 ]" 1
373 1 84 ALA HA 1 87 LEU QB 3.000 . 5.000 3.785 3.381 4.208 . 0 0 "[ . 1 . 2 ]" 1
374 1 83 PHE QB 1 84 ALA MB 3.000 . 5.000 3.795 3.725 3.851 . 0 0 "[ . 1 . 2 ]" 1
375 1 79 ASP QB 1 82 ALA MB 2.200 . 3.000 2.011 1.921 2.281 . 0 0 "[ . 1 . 2 ]" 1
376 1 42 PHE QE 1 79 ASP QB 3.000 . 5.000 4.027 3.022 5.000 . 0 0 "[ . 1 . 2 ]" 1
377 1 42 PHE QD 1 79 ASP QB 4.300 . 6.000 4.762 4.395 5.240 . 0 0 "[ . 1 . 2 ]" 1
378 1 80 TYR HA 1 84 ALA H 3.000 . 5.000 4.008 3.934 4.090 . 0 0 "[ . 1 . 2 ]" 1
379 1 78 ILE MD 1 80 TYR HA 3.000 . 5.000 5.028 5.016 5.034 0.034 3 0 "[ . 1 . 2 ]" 1
380 1 78 ILE MG 1 80 TYR HA 3.000 . 5.000 3.278 2.842 4.418 . 0 0 "[ . 1 . 2 ]" 1
381 1 80 TYR QB 1 84 ALA H 3.000 . 5.000 5.012 5.006 5.033 0.033 1 0 "[ . 1 . 2 ]" 1
382 1 81 LYS HA 1 84 ALA HA 3.000 . 5.000 5.006 4.940 5.031 0.031 1 0 "[ . 1 . 2 ]" 1
383 1 81 LYS HA 1 83 PHE QB 3.000 . 5.000 5.026 5.020 5.036 0.036 5 0 "[ . 1 . 2 ]" 1
384 1 81 LYS QG 1 82 ALA H 3.000 . 5.000 4.150 3.714 4.380 . 0 0 "[ . 1 . 2 ]" 1
385 1 80 TYR QE 1 81 LYS QG 3.000 . 5.000 5.001 4.999 5.006 0.006 1 0 "[ . 1 . 2 ]" 1
386 1 82 ALA MB 1 83 PHE QB 3.000 . 5.000 3.808 3.770 3.833 . 0 0 "[ . 1 . 2 ]" 1
387 1 50 GLY QA 1 53 ARG QG 4.300 . 5.000 3.984 2.308 4.926 . 0 0 "[ . 1 . 2 ]" 1
388 1 70 ALA HA 1 72 PRO QD 3.000 . 5.000 4.817 4.154 5.002 0.002 9 0 "[ . 1 . 2 ]" 1
389 1 70 ALA HA 1 78 ILE MD 4.300 . 6.000 5.561 4.245 5.720 . 0 0 "[ . 1 . 2 ]" 1
390 1 70 ALA HA 1 78 ILE MG 3.000 . 5.000 4.179 3.450 4.744 . 0 0 "[ . 1 . 2 ]" 1
391 1 68 GLU QB 1 69 ALA MB 3.000 . 5.000 3.933 3.679 4.511 . 0 0 "[ . 1 . 2 ]" 1
392 1 68 GLU QG 1 69 ALA MB 3.000 . 5.000 4.458 3.090 5.010 0.010 1 0 "[ . 1 . 2 ]" 1
393 1 71 ASP HA 1 72 PRO QG 3.000 . 5.000 3.821 3.767 3.853 . 0 0 "[ . 1 . 2 ]" 1
394 1 71 ASP HA 1 78 ILE MG 4.300 . 6.000 5.133 3.930 5.569 . 0 0 "[ . 1 . 2 ]" 1
395 1 71 ASP QB 1 72 PRO QD 3.000 . 5.000 3.557 2.908 3.799 . 0 0 "[ . 1 . 2 ]" 1
396 1 73 ASN QB 1 74 ASN H 4.300 . 6.000 2.911 2.743 3.485 . 0 0 "[ . 1 . 2 ]" 1
397 1 74 ASN QB 1 76 GLY QA 3.000 . 5.000 5.031 5.002 5.057 0.057 1 0 "[ . 1 . 2 ]" 1
398 1 74 ASN HA 1 75 THR MG 3.000 . 5.000 4.262 4.131 4.595 . 0 0 "[ . 1 . 2 ]" 1
399 1 73 ASN H 1 74 ASN HA 4.300 . 6.000 4.697 4.524 4.808 . 0 0 "[ . 1 . 2 ]" 1
400 1 74 ASN HA 1 75 THR H 3.000 . 5.000 2.790 2.613 3.023 . 0 0 "[ . 1 . 2 ]" 1
401 1 74 ASN HA 1 76 GLY H 4.300 . 6.000 3.208 2.951 3.366 . 0 0 "[ . 1 . 2 ]" 1
402 1 75 THR HA 1 77 PHE QD 4.300 . 6.000 5.152 4.394 6.027 0.027 15 0 "[ . 1 . 2 ]" 1
403 1 75 THR HB 1 77 PHE H 3.000 . 5.000 4.898 4.393 5.041 0.041 1 0 "[ . 1 . 2 ]" 1
404 1 75 THR HB 1 77 PHE QD 3.000 . 5.000 4.443 3.022 5.002 0.002 16 0 "[ . 1 . 2 ]" 1
405 1 45 VAL QG 1 76 GLY QA 3.000 . 5.000 2.222 2.021 2.578 . 0 0 "[ . 1 . 2 ]" 1
406 1 45 VAL QG 1 67 PHE QB 3.000 . 5.000 2.439 1.916 2.754 . 0 0 "[ . 1 . 2 ]" 1
407 1 45 VAL QG 1 71 ASP QB 3.000 . 5.000 3.378 2.864 3.923 . 0 0 "[ . 1 . 2 ]" 1
408 1 67 PHE QB 1 78 ILE MD 3.000 . 5.000 4.180 3.752 4.359 . 0 0 "[ . 1 . 2 ]" 1
409 1 48 PHE QB 1 78 ILE MD 3.000 . 5.000 2.974 2.623 4.111 . 0 0 "[ . 1 . 2 ]" 1
410 1 78 ILE QG 1 83 PHE H 3.000 . 5.000 3.374 3.289 3.726 . 0 0 "[ . 1 . 2 ]" 1
411 1 41 GLY QA 1 80 TYR QE 3.000 . 5.000 3.740 2.819 4.621 . 0 0 "[ . 1 . 2 ]" 1
412 1 41 GLY QA 1 80 TYR QB 3.000 . 5.000 3.298 2.256 3.521 . 0 0 "[ . 1 . 2 ]" 1
413 1 40 ASP QB 1 41 GLY QA 3.000 . 5.000 3.992 3.659 4.585 . 0 0 "[ . 1 . 2 ]" 1
414 1 25 LYS QB 1 28 LEU H 3.000 . 5.000 4.919 4.733 5.003 0.003 18 0 "[ . 1 . 2 ]" 1
415 1 25 LYS QB 1 28 LEU QD 3.000 . 5.000 4.877 4.744 5.008 0.008 4 0 "[ . 1 . 2 ]" 1
416 1 25 LYS QB 1 87 LEU QD 3.000 . 5.000 3.434 2.858 4.325 . 0 0 "[ . 1 . 2 ]" 1
417 1 23 ASP QB 1 26 THR HB 4.300 . 5.000 4.338 4.254 4.557 . 0 0 "[ . 1 . 2 ]" 1
418 1 23 ASP HA 1 26 THR HB 3.000 . 5.000 4.196 4.107 4.237 . 0 0 "[ . 1 . 2 ]" 1
419 1 23 ASP HA 1 26 THR MG 3.000 . 5.000 3.428 3.345 3.558 . 0 0 "[ . 1 . 2 ]" 1
420 1 24 GLU HA 1 25 LYS H 2.200 . 3.000 3.297 3.292 3.323 0.323 1 0 "[ . 1 . 2 ]" 1
421 1 23 ASP QB 1 24 GLU HA 3.000 . 5.000 3.972 3.963 3.980 . 0 0 "[ . 1 . 2 ]" 1
422 1 87 LEU QD 1 88 TYR H 3.000 . 5.000 4.075 3.608 4.304 . 0 0 "[ . 1 . 2 ]" 1
423 1 25 LYS QE 1 87 LEU QD 3.000 . 5.000 2.839 1.896 3.781 . 0 0 "[ . 1 . 2 ]" 1
424 1 28 LEU QB 1 87 LEU QD 2.200 . 3.000 2.193 1.899 2.570 . 0 0 "[ . 1 . 2 ]" 1
425 1 25 LYS QG 1 87 LEU QD 3.000 . 5.000 1.931 1.796 3.181 0.004 12 0 "[ . 1 . 2 ]" 1
426 1 25 LYS QE 1 28 LEU QD 3.000 . 5.000 3.560 2.572 4.392 . 0 0 "[ . 1 . 2 ]" 1
427 1 28 LEU QD 1 31 ALA MB 2.200 . 3.000 2.488 1.873 2.972 . 0 0 "[ . 1 . 2 ]" 1
428 1 87 LEU HA 1 89 SER H 4.300 . 6.000 3.768 3.665 3.907 . 0 0 "[ . 1 . 2 ]" 1
429 1 26 THR HG1 1 29 ILE H 3.000 . 5.000 4.283 4.226 4.548 . 0 0 "[ . 1 . 2 ]" 1
430 1 26 THR HG1 1 27 GLN H 3.000 . 5.000 3.299 2.882 3.752 . 0 0 "[ . 1 . 2 ]" 1
431 1 30 GLU HA 1 33 TYR QE 4.300 . 6.000 3.876 3.128 4.901 . 0 0 "[ . 1 . 2 ]" 1
432 1 30 GLU HA 1 33 TYR QB 3.000 . 5.000 3.940 3.385 4.178 . 0 0 "[ . 1 . 2 ]" 1
433 1 26 THR HB 1 29 ILE H 3.000 . 5.000 4.637 4.556 4.860 . 0 0 "[ . 1 . 2 ]" 1
434 1 26 THR HB 1 27 GLN H 3.000 . 5.000 3.374 3.279 3.603 . 0 0 "[ . 1 . 2 ]" 1
435 1 26 THR HA 1 27 GLN H 3.000 . 5.000 3.474 3.462 3.481 . 0 0 "[ . 1 . 2 ]" 1
436 1 42 PHE QB 1 43 VAL H 3.000 . 5.000 3.460 3.168 3.790 . 0 0 "[ . 1 . 2 ]" 1
437 1 26 THR H 1 28 LEU QB 4.300 . 5.000 5.048 5.023 5.057 0.057 18 0 "[ . 1 . 2 ]" 1
438 1 25 LYS QE 1 29 ILE HA 3.000 . 5.000 4.617 3.597 5.002 0.002 5 0 "[ . 1 . 2 ]" 1
439 1 29 ILE HA 1 87 LEU QD 3.000 . 5.000 4.923 4.300 5.025 0.025 1 0 "[ . 1 . 2 ]" 1
440 1 29 ILE HB 1 30 GLU H 2.200 . 3.000 3.133 3.120 3.140 0.140 19 0 "[ . 1 . 2 ]" 1
441 1 27 GLN HA 1 29 ILE HB 3.000 . 5.000 4.623 4.498 4.653 . 0 0 "[ . 1 . 2 ]" 1
442 1 26 THR HA 1 29 ILE HB 3.000 . 3.000 3.101 3.064 3.111 0.111 16 0 "[ . 1 . 2 ]" 1
443 1 29 ILE HG12 1 30 GLU H 3.000 . 5.000 4.337 4.297 4.521 . 0 0 "[ . 1 . 2 ]" 1
444 1 29 ILE MD 1 30 GLU H 3.000 . 5.000 4.799 4.784 4.874 . 0 0 "[ . 1 . 2 ]" 1
445 1 29 ILE QG 1 30 GLU H 3.000 . 5.000 3.465 3.390 3.485 . 0 0 "[ . 1 . 2 ]" 1
446 1 47 GLU QG 1 51 ILE MD 3.000 . 5.000 3.481 2.170 5.002 0.002 8 0 "[ . 1 . 2 ]" 1
447 1 43 VAL MG2 1 47 GLU QG 3.000 . 5.000 3.520 3.104 4.113 . 0 0 "[ . 1 . 2 ]" 1
448 1 31 ALA HA 1 34 ASN QB 3.000 . 5.000 3.420 2.948 4.375 . 0 0 "[ . 1 . 2 ]" 1
449 1 25 LYS HA 1 87 LEU QD 4.300 . 6.000 2.989 1.970 4.003 . 0 0 "[ . 1 . 2 ]" 1
450 1 25 LYS HA 1 26 THR H 3.000 . 5.000 3.477 3.450 3.552 . 0 0 "[ . 1 . 2 ]" 1
451 1 45 VAL QG 1 67 PHE HA 3.000 . 5.000 3.100 2.826 3.226 . 0 0 "[ . 1 . 2 ]" 1
452 1 45 VAL QG 1 48 PHE QB 3.000 . 5.000 3.141 3.044 3.362 . 0 0 "[ . 1 . 2 ]" 1
453 1 51 ILE HB 1 52 ILE H 3.000 . 5.000 2.635 2.353 3.018 . 0 0 "[ . 1 . 2 ]" 1
454 1 48 PHE HA 1 51 ILE HB 3.000 . 3.000 2.994 2.876 3.005 0.005 4 0 "[ . 1 . 2 ]" 1
455 1 51 ILE HA 1 54 ASP QB 3.000 . 5.000 4.756 3.974 5.001 0.001 8 0 "[ . 1 . 2 ]" 1
456 1 48 PHE H 1 51 ILE MD 4.300 . 6.000 4.025 3.600 4.369 . 0 0 "[ . 1 . 2 ]" 1
457 1 51 ILE MD 1 52 ILE H 3.000 . 5.000 4.289 3.802 4.761 . 0 0 "[ . 1 . 2 ]" 1
458 1 48 PHE HA 1 51 ILE MD 2.200 . 3.000 2.087 1.906 2.371 . 0 0 "[ . 1 . 2 ]" 1
459 1 51 ILE QG 1 52 ILE H 3.000 . 5.000 3.340 3.237 3.498 . 0 0 "[ . 1 . 2 ]" 1
460 1 48 PHE HA 1 51 ILE QG 3.000 . 5.000 3.146 2.755 3.521 . 0 0 "[ . 1 . 2 ]" 1
461 1 49 ARG HA 1 50 GLY H 3.000 . 5.000 3.566 3.560 3.577 . 0 0 "[ . 1 . 2 ]" 1
462 1 49 ARG HA 1 52 ILE H 3.000 . 5.000 3.336 3.163 3.721 . 0 0 "[ . 1 . 2 ]" 1
463 1 49 ARG HA 1 52 ILE MD 3.000 . 5.000 4.995 4.934 5.009 0.009 1 0 "[ . 1 . 2 ]" 1
464 1 49 ARG HA 1 52 ILE MG 3.000 . 5.000 4.002 1.978 4.345 . 0 0 "[ . 1 . 2 ]" 1
465 1 45 VAL HA 1 48 PHE QB 3.000 . 3.000 2.175 2.055 2.555 . 0 0 "[ . 1 . 2 ]" 1
466 1 45 VAL MG1 1 49 ARG QD 3.000 . 5.000 2.701 1.947 3.709 . 0 0 "[ . 1 . 2 ]" 1
467 1 73 ASN QD 1 75 THR HG1 3.000 . 5.000 2.900 2.428 3.394 . 0 0 "[ . 1 . 2 ]" 1
468 1 73 ASN HD22 1 75 THR HG1 3.000 . 5.000 4.027 2.628 4.581 . 0 0 "[ . 1 . 2 ]" 1
469 1 52 ILE MD 1 53 ARG H 3.000 . 5.000 4.749 4.606 4.896 . 0 0 "[ . 1 . 2 ]" 1
470 1 52 ILE MD 1 63 ILE HA 4.300 . 6.000 5.220 4.559 5.748 . 0 0 "[ . 1 . 2 ]" 1
471 1 52 ILE MD 1 58 MET QG 3.000 . 5.000 4.781 3.920 5.009 0.009 11 0 "[ . 1 . 2 ]" 1
472 1 56 LEU H 1 57 PRO QD 4.300 . 5.000 4.369 4.164 4.408 . 0 0 "[ . 1 . 2 ]" 1
473 1 45 VAL MG1 1 46 GLU HA 3.000 . 5.000 3.471 3.217 3.861 . 0 0 "[ . 1 . 2 ]" 1
474 1 46 GLU QB 1 47 GLU H 2.200 . 3.000 2.641 2.087 2.838 . 0 0 "[ . 1 . 2 ]" 1
475 1 45 VAL MG1 1 46 GLU QB 4.300 . 6.000 4.767 4.577 5.016 . 0 0 "[ . 1 . 2 ]" 1
476 1 45 VAL MG2 1 46 GLU QG 3.000 . 5.000 4.377 4.324 4.480 . 0 0 "[ . 1 . 2 ]" 1
477 1 45 VAL MG1 1 46 GLU QG 3.000 . 5.000 3.788 3.547 4.023 . 0 0 "[ . 1 . 2 ]" 1
478 1 46 GLU QG 1 49 ARG QD 3.000 . 5.000 4.219 3.514 5.003 0.003 15 0 "[ . 1 . 2 ]" 1
479 1 59 THR HG1 1 62 GLU H 3.000 . 5.000 3.823 2.989 4.369 . 0 0 "[ . 1 . 2 ]" 1
480 1 59 THR HG1 1 61 ALA H 3.000 . 5.000 3.985 3.784 4.175 . 0 0 "[ . 1 . 2 ]" 1
481 1 60 GLU QB 1 62 GLU H 4.300 . 6.000 5.070 4.562 5.283 . 0 0 "[ . 1 . 2 ]" 1
482 1 60 GLU HA 1 62 GLU H 4.300 . 6.000 4.487 3.791 4.708 . 0 0 "[ . 1 . 2 ]" 1
483 1 60 GLU H 1 61 ALA HA 4.300 . 6.000 5.545 5.525 5.557 . 0 0 "[ . 1 . 2 ]" 1
484 1 60 GLU H 1 61 ALA MB 3.000 . 5.000 4.503 4.451 4.565 . 0 0 "[ . 1 . 2 ]" 1
485 1 56 LEU QD 1 57 PRO QD 3.000 . 5.000 3.192 2.073 3.582 . 0 0 "[ . 1 . 2 ]" 1
486 1 56 LEU QD 1 58 MET QG 3.000 . 5.000 4.883 4.170 5.003 0.003 6 0 "[ . 1 . 2 ]" 1
487 1 33 TYR HA 1 34 ASN HA 4.300 . 6.000 4.356 4.311 4.389 . 0 0 "[ . 1 . 2 ]" 1
488 1 44 SER QB 1 47 GLU QB 3.000 . 5.000 3.373 2.589 4.116 . 0 0 "[ . 1 . 2 ]" 1
489 1 62 GLU HA 1 65 GLU H 3.000 . 5.000 4.102 3.971 4.203 . 0 0 "[ . 1 . 2 ]" 1
490 1 62 GLU HA 1 63 ILE H 3.000 . 5.000 3.560 3.555 3.569 . 0 0 "[ . 1 . 2 ]" 1
491 1 63 ILE HA 1 66 PHE QB 2.200 . 3.000 2.271 2.151 2.546 . 0 0 "[ . 1 . 2 ]" 1
492 1 63 ILE HB 1 66 PHE QB 4.300 . 6.000 4.785 4.697 5.040 . 0 0 "[ . 1 . 2 ]" 1
493 1 63 ILE MD 1 65 GLU H 3.000 . 5.000 5.065 5.041 5.114 0.114 1 0 "[ . 1 . 2 ]" 1
494 1 63 ILE MD 1 64 THR H 3.000 . 5.000 2.918 2.863 3.015 . 0 0 "[ . 1 . 2 ]" 1
495 1 63 ILE QG 1 66 PHE H 4.300 . 6.000 4.266 4.226 4.432 . 0 0 "[ . 1 . 2 ]" 1
496 1 63 ILE QG 1 65 GLU H 3.000 . 5.000 4.873 4.826 4.934 . 0 0 "[ . 1 . 2 ]" 1
497 1 63 ILE QG 1 64 THR H 3.000 . 5.000 3.242 3.111 3.481 . 0 0 "[ . 1 . 2 ]" 1
498 1 63 ILE QG 1 64 THR HA 3.000 . 5.000 3.763 3.601 3.968 . 0 0 "[ . 1 . 2 ]" 1
499 1 63 ILE QG 1 66 PHE QB 3.000 . 5.000 3.400 3.291 3.605 . 0 0 "[ . 1 . 2 ]" 1
500 1 64 THR HG1 1 65 GLU H 2.200 . 3.000 3.056 3.047 3.074 0.074 16 0 "[ . 1 . 2 ]" 1
501 1 64 THR HG1 1 68 GLU QG 2.200 . 3.000 2.820 2.374 3.008 0.008 18 0 "[ . 1 . 2 ]" 1
502 1 64 THR HG1 1 68 GLU QB 3.000 . 5.000 4.170 3.748 4.504 . 0 0 "[ . 1 . 2 ]" 1
503 1 64 THR HG1 1 66 PHE H 4.300 . 6.000 4.278 4.268 4.318 . 0 0 "[ . 1 . 2 ]" 1
504 1 47 GLU H 1 48 PHE QB 4.300 . 6.000 3.991 3.807 4.353 . 0 0 "[ . 1 . 2 ]" 1
505 1 45 VAL MG1 1 48 PHE QB 3.000 . 5.000 3.340 3.304 3.503 . 0 0 "[ . 1 . 2 ]" 1
506 1 45 VAL MG2 1 48 PHE QB 3.000 . 5.000 3.837 3.534 4.328 . 0 0 "[ . 1 . 2 ]" 1
507 1 43 VAL MG2 1 48 PHE QB 3.000 . 3.000 2.872 2.832 2.900 . 0 0 "[ . 1 . 2 ]" 1
508 1 48 PHE QB 1 51 ILE HB 4.300 . 6.000 4.697 4.512 4.845 . 0 0 "[ . 1 . 2 ]" 1
509 1 31 ALA HA 1 35 PHE QB 4.300 . 6.000 4.087 2.151 4.981 . 0 0 "[ . 1 . 2 ]" 1
510 1 35 PHE QB 1 56 LEU QD 3.000 . 5.000 4.641 3.392 5.001 0.001 6 0 "[ . 1 . 2 ]" 1
511 1 52 ILE MG 1 55 GLY QA 4.300 . 6.000 4.750 4.486 5.233 . 0 0 "[ . 1 . 2 ]" 1
512 1 64 THR MG 1 68 GLU QG 3.000 . 5.000 2.826 2.377 3.013 . 0 0 "[ . 1 . 2 ]" 1
513 1 64 THR MG 1 68 GLU QB 3.000 . 5.000 4.189 3.760 4.529 . 0 0 "[ . 1 . 2 ]" 1
514 1 85 ALA HA 1 88 TYR QE 4.300 . 6.000 5.551 2.810 6.003 0.003 20 0 "[ . 1 . 2 ]" 1
515 1 85 ALA HA 1 86 MET H 2.200 . 3.000 3.271 3.267 3.289 0.289 1 0 "[ . 1 . 2 ]" 1
516 1 85 ALA HA 1 89 SER HA 3.000 . 5.000 4.483 3.958 5.005 0.005 18 0 "[ . 1 . 2 ]" 1
517 1 84 ALA HA 1 85 ALA HA 3.000 . 5.000 4.737 4.709 4.784 . 0 0 "[ . 1 . 2 ]" 1
518 1 85 ALA HA 1 88 TYR QB 3.000 . 5.000 2.623 2.216 4.359 . 0 0 "[ . 1 . 2 ]" 1
519 1 52 ILE QG 1 53 ARG H 3.000 . 5.000 3.226 1.972 3.466 . 0 0 "[ . 1 . 2 ]" 1
520 1 52 ILE QG 1 56 LEU H 3.000 . 5.000 3.192 2.887 3.627 . 0 0 "[ . 1 . 2 ]" 1
521 1 52 ILE QG 1 55 GLY QA 3.000 . 5.000 4.398 4.232 4.677 . 0 0 "[ . 1 . 2 ]" 1
522 1 52 ILE QG 1 63 ILE HA 3.000 . 5.000 4.363 3.958 4.733 . 0 0 "[ . 1 . 2 ]" 1
523 1 71 ASP H 1 78 ILE QG 4.300 . 6.000 4.096 3.584 4.385 . 0 0 "[ . 1 . 2 ]" 1
524 1 78 ILE QG 1 80 TYR H 4.300 . 6.000 3.413 2.945 4.510 . 0 0 "[ . 1 . 2 ]" 1
525 1 73 ASN HA 1 75 THR MG 3.000 . 5.000 4.514 3.997 4.765 . 0 0 "[ . 1 . 2 ]" 1
526 1 72 PRO QG 1 73 ASN HA 3.000 . 5.000 4.307 4.148 4.392 . 0 0 "[ . 1 . 2 ]" 1
527 1 73 ASN H 1 75 THR HG1 3.000 . 5.000 3.991 3.800 4.130 . 0 0 "[ . 1 . 2 ]" 1
528 1 88 TYR HA 1 90 VAL H 3.000 . 5.000 4.235 3.135 5.002 0.002 3 0 "[ . 1 . 2 ]" 1
529 1 44 SER HA 1 45 VAL HB 3.000 . 5.000 4.882 4.727 5.010 0.010 3 0 "[ . 1 . 2 ]" 1
530 1 44 SER HA 1 45 VAL MG2 3.000 . 5.000 3.573 3.431 3.800 . 0 0 "[ . 1 . 2 ]" 1
531 1 66 PHE QD 1 67 PHE HA 4.300 . 6.000 5.846 5.698 5.900 . 0 0 "[ . 1 . 2 ]" 1
532 1 67 PHE HA 1 70 ALA H 3.000 . 5.000 3.803 3.646 3.950 . 0 0 "[ . 1 . 2 ]" 1
533 1 67 PHE HA 1 68 GLU H 3.000 . 5.000 3.492 3.455 3.549 . 0 0 "[ . 1 . 2 ]" 1
534 1 45 VAL MG1 1 67 PHE HA 3.000 . 5.000 3.834 3.159 4.180 . 0 0 "[ . 1 . 2 ]" 1
535 1 45 VAL MG2 1 67 PHE HA 3.000 . 5.000 3.297 3.187 3.356 . 0 0 "[ . 1 . 2 ]" 1
536 1 67 PHE HA 1 70 ALA MB 2.200 . 3.000 2.862 2.655 3.010 0.010 20 0 "[ . 1 . 2 ]" 1
537 1 45 VAL HA 1 78 ILE MD 4.300 . 6.000 2.767 2.343 4.126 . 0 0 "[ . 1 . 2 ]" 1
538 1 66 PHE QB 1 68 GLU H 3.000 . 5.000 4.770 4.637 5.006 0.006 2 0 "[ . 1 . 2 ]" 1
539 1 66 PHE HA 1 69 ALA H 3.000 . 5.000 3.312 3.191 3.475 . 0 0 "[ . 1 . 2 ]" 1
540 1 66 PHE HA 1 67 PHE H 3.000 . 5.000 3.459 3.442 3.501 . 0 0 "[ . 1 . 2 ]" 1
541 1 66 PHE HA 1 68 GLU H 4.300 . 6.000 4.180 4.055 4.571 . 0 0 "[ . 1 . 2 ]" 1
542 1 65 GLU H 1 66 PHE HA 3.000 . 5.000 5.125 5.095 5.152 0.152 1 0 "[ . 1 . 2 ]" 1
543 1 63 ILE HA 1 66 PHE HA 4.300 . 6.000 5.238 5.107 5.491 . 0 0 "[ . 1 . 2 ]" 1
544 1 48 PHE HA 1 51 ILE HG12 3.000 . 5.000 4.510 4.259 4.751 . 0 0 "[ . 1 . 2 ]" 1
545 1 52 ILE HA 1 56 LEU H 3.000 . 5.000 2.304 2.062 2.392 . 0 0 "[ . 1 . 2 ]" 1
546 1 52 ILE HB 1 53 ARG H 3.000 . 5.000 2.901 2.289 3.673 . 0 0 "[ . 1 . 2 ]" 1
547 1 52 ILE HG12 1 53 ARG H 3.000 . 5.000 4.347 4.124 4.879 . 0 0 "[ . 1 . 2 ]" 1
548 1 49 ARG HA 1 52 ILE HG12 3.000 . 5.000 3.902 3.658 4.917 . 0 0 "[ . 1 . 2 ]" 1
549 1 49 ARG HA 1 52 ILE QG 3.000 . 5.000 3.158 1.976 3.299 . 0 0 "[ . 1 . 2 ]" 1
550 1 52 ILE MD 1 55 GLY QA 4.300 . 6.000 4.246 3.989 4.818 . 0 0 "[ . 1 . 2 ]" 1
551 1 43 VAL QG 1 80 TYR H 4.300 . 6.000 3.898 3.078 4.288 . 0 0 "[ . 1 . 2 ]" 1
552 1 43 VAL QG 1 48 PHE H 3.000 . 5.000 3.097 2.866 3.209 . 0 0 "[ . 1 . 2 ]" 1
553 1 42 PHE H 1 43 VAL QG 3.000 . 5.000 4.785 4.317 5.021 0.021 18 0 "[ . 1 . 2 ]" 1
554 1 71 ASP H 1 72 PRO QG 4.300 . 6.000 5.867 5.605 6.007 0.007 17 0 "[ . 1 . 2 ]" 1
555 1 75 THR HA 1 76 GLY H 4.300 . 6.000 3.006 2.763 3.465 . 0 0 "[ . 1 . 2 ]" 1
556 1 64 THR HB 1 66 PHE H 3.000 . 5.000 4.430 4.390 4.587 . 0 0 "[ . 1 . 2 ]" 1
557 1 64 THR HB 1 67 PHE H 3.000 . 5.000 5.081 5.064 5.107 0.107 1 0 "[ . 1 . 2 ]" 1
558 1 45 VAL MG1 1 67 PHE QB 4.300 . 6.000 2.628 1.932 2.944 . 0 0 "[ . 1 . 2 ]" 1
559 1 45 VAL MG2 1 67 PHE QB 4.300 . 6.000 3.033 2.664 3.312 . 0 0 "[ . 1 . 2 ]" 1
560 1 67 PHE QB 1 70 ALA MB 3.000 . 5.000 4.545 4.387 4.725 . 0 0 "[ . 1 . 2 ]" 1
561 1 67 PHE QB 1 70 ALA H 4.300 . 6.000 4.993 4.832 5.105 . 0 0 "[ . 1 . 2 ]" 1
562 1 63 ILE HA 1 66 PHE QD 4.300 . 6.000 3.848 2.919 4.090 . 0 0 "[ . 1 . 2 ]" 1
563 1 48 PHE HA 1 51 ILE HG13 3.000 . 5.000 3.338 2.834 3.945 . 0 0 "[ . 1 . 2 ]" 1
564 1 57 PRO HA 1 59 THR H 4.300 . 6.000 6.028 5.961 6.068 0.068 1 0 "[ . 1 . 2 ]" 1
565 1 64 THR HA 1 67 PHE QD 3.000 . 5.000 2.673 2.069 3.240 . 0 0 "[ . 1 . 2 ]" 1
566 1 64 THR HA 1 65 GLU H 3.000 . 5.000 3.566 3.542 3.574 . 0 0 "[ . 1 . 2 ]" 1
567 1 64 THR HA 1 67 PHE QB 3.000 . 5.000 2.242 2.001 2.431 . 0 0 "[ . 1 . 2 ]" 1
568 1 63 ILE MG 1 64 THR HA 3.000 . 5.000 3.816 3.639 4.044 . 0 0 "[ . 1 . 2 ]" 1
569 1 87 LEU H 1 88 TYR HA 3.000 . 5.000 4.911 4.827 5.003 0.003 11 0 "[ . 1 . 2 ]" 1
570 1 87 LEU QB 1 88 TYR HA 3.000 . 5.000 4.218 4.186 4.244 . 0 0 "[ . 1 . 2 ]" 1
571 1 85 ALA MB 1 88 TYR QB 4.300 . 6.000 4.026 3.682 5.347 . 0 0 "[ . 1 . 2 ]" 1
572 1 86 MET QG 1 88 TYR H 4.300 . 6.000 5.321 5.027 5.690 . 0 0 "[ . 1 . 2 ]" 1
573 1 83 PHE HA 1 86 MET QG 4.300 . 5.000 3.371 2.105 4.998 . 0 0 "[ . 1 . 2 ]" 1
574 1 86 MET QB 1 88 TYR H 3.000 . 5.000 4.345 4.148 4.637 . 0 0 "[ . 1 . 2 ]" 1
575 1 83 PHE HA 1 86 MET QB 3.000 . 5.000 3.436 2.684 4.101 . 0 0 "[ . 1 . 2 ]" 1
576 1 86 MET HA 1 88 TYR H 3.000 . 5.000 3.949 3.804 4.138 . 0 0 "[ . 1 . 2 ]" 1
577 1 80 TYR HA 1 83 PHE QB 3.000 . 5.000 2.789 2.671 2.964 . 0 0 "[ . 1 . 2 ]" 1
578 1 23 ASP QB 1 25 LYS H 4.300 . 6.000 4.419 4.411 4.453 . 0 0 "[ . 1 . 2 ]" 1
579 1 47 GLU HA 1 51 ILE H 4.300 . 6.000 4.935 4.520 5.206 . 0 0 "[ . 1 . 2 ]" 1
580 1 50 GLY QA 1 53 ARG QD 3.000 . 5.000 3.702 2.021 4.898 . 0 0 "[ . 1 . 2 ]" 1
581 1 47 GLU QB 1 51 ILE MD 4.300 . 6.000 3.305 2.341 3.833 . 0 0 "[ . 1 . 2 ]" 1
582 1 43 VAL MG2 1 47 GLU QB 3.000 . 3.000 2.481 2.194 2.669 . 0 0 "[ . 1 . 2 ]" 1
583 1 47 GLU QB 1 48 PHE H 3.000 . 5.000 2.805 2.642 2.943 . 0 0 "[ . 1 . 2 ]" 1
584 1 44 SER H 1 47 GLU QB 4.300 . 6.000 3.060 2.851 3.306 . 0 0 "[ . 1 . 2 ]" 1
585 1 92 GLU HA 1 93 SER H 3.000 . 5.000 2.912 2.172 3.571 . 0 0 "[ . 1 . 2 ]" 1
586 1 92 GLU QB 1 93 SER H 2.200 . 3.000 2.620 1.968 3.009 0.009 3 0 "[ . 1 . 2 ]" 1
587 1 57 PRO QB 1 58 MET H 4.300 . 6.000 3.744 3.426 4.005 . 0 0 "[ . 1 . 2 ]" 1
588 1 25 LYS H 1 28 LEU QB 4.300 . 6.000 5.536 5.009 5.605 . 0 0 "[ . 1 . 2 ]" 1
589 1 44 SER QB 1 47 GLU H 3.000 . 5.000 3.037 2.484 3.715 . 0 0 "[ . 1 . 2 ]" 1
590 1 52 ILE MD 1 58 MET QB 4.300 . 6.000 3.525 2.750 3.831 . 0 0 "[ . 1 . 2 ]" 1
591 1 41 GLY QA 1 81 LYS H 4.300 . 6.000 5.898 3.979 6.005 0.005 15 0 "[ . 1 . 2 ]" 1
592 1 64 THR MG 1 67 PHE QB 4.300 . 6.000 3.643 3.484 3.817 . 0 0 "[ . 1 . 2 ]" 1
593 1 32 PHE HA 1 35 PHE QB 3.000 . 5.000 3.744 3.167 4.744 . 0 0 "[ . 1 . 2 ]" 1
594 1 35 PHE QB 1 51 ILE MD 3.000 . 5.000 4.114 2.821 5.000 . 9 0 "[ . 1 . 2 ]" 1
595 1 29 ILE HB 1 33 TYR QE 4.300 . 6.000 4.728 3.955 5.486 . 0 0 "[ . 1 . 2 ]" 1
596 1 29 ILE QG 1 87 LEU QD 3.000 . 5.000 4.324 3.896 4.576 . 0 0 "[ . 1 . 2 ]" 1
597 1 29 ILE HG12 1 87 LEU QD 3.000 . 5.000 4.624 4.144 4.900 . 0 0 "[ . 1 . 2 ]" 1
598 1 49 ARG QD 1 67 PHE QE 4.300 . 6.000 3.411 1.967 4.406 . 0 0 "[ . 1 . 2 ]" 1
599 1 29 ILE MD 1 31 ALA H 3.000 . 5.000 5.058 5.030 5.067 0.067 2 0 "[ . 1 . 2 ]" 1
600 1 29 ILE MG 1 31 ALA H 3.000 . 5.000 4.224 4.103 4.281 . 0 0 "[ . 1 . 2 ]" 1
601 1 29 ILE MG 1 32 PHE H 3.000 . 5.000 4.023 3.905 4.177 . 0 0 "[ . 1 . 2 ]" 1
602 1 29 ILE MD 1 32 PHE H 3.000 . 5.000 4.890 4.837 5.032 0.032 1 0 "[ . 1 . 2 ]" 1
603 1 22 SER HA 1 25 LYS H 4.300 . 6.000 4.017 3.954 4.152 . 0 0 "[ . 1 . 2 ]" 1
604 1 30 GLU H 1 32 PHE H 3.000 . 5.000 4.412 4.340 4.763 . 0 0 "[ . 1 . 2 ]" 1
605 1 22 SER HA 1 26 THR H 4.300 . 6.000 5.691 5.470 5.740 . 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 95
_Distance_constraint_stats_list.Viol_count 363
_Distance_constraint_stats_list.Viol_total 174.431
_Distance_constraint_stats_list.Viol_max 0.092
_Distance_constraint_stats_list.Viol_rms 0.0117
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0229
_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 23 ASP 0.794 0.055 1 0 "[ . 1 . 2 ]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 THR 1.830 0.059 19 0 "[ . 1 . 2 ]"
1 28 LEU 0.038 0.011 18 0 "[ . 1 . 2 ]"
1 29 ILE 1.076 0.059 19 0 "[ . 1 . 2 ]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 PHE 0.012 0.012 1 0 "[ . 1 . 2 ]"
1 33 TYR 0.029 0.008 1 0 "[ . 1 . 2 ]"
1 42 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 SER 0.008 0.004 15 0 "[ . 1 . 2 ]"
1 45 VAL 0.247 0.022 3 0 "[ . 1 . 2 ]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 PHE 0.308 0.022 3 0 "[ . 1 . 2 ]"
1 49 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 GLY 0.008 0.004 14 0 "[ . 1 . 2 ]"
1 51 ILE 0.061 0.017 12 0 "[ . 1 . 2 ]"
1 52 ILE 0.416 0.025 7 0 "[ . 1 . 2 ]"
1 53 ARG 0.008 0.004 14 0 "[ . 1 . 2 ]"
1 56 LEU 0.076 0.010 11 0 "[ . 1 . 2 ]"
1 57 PRO 0.340 0.025 7 0 "[ . 1 . 2 ]"
1 58 MET 0.513 0.045 9 0 "[ . 1 . 2 ]"
1 59 THR 0.518 0.068 4 0 "[ . 1 . 2 ]"
1 60 GLU 1.771 0.092 4 0 "[ . 1 . 2 ]"
1 61 ALA 0.797 0.067 11 0 "[ . 1 . 2 ]"
1 62 GLU 0.074 0.068 4 0 "[ . 1 . 2 ]"
1 63 ILE 1.757 0.092 4 0 "[ . 1 . 2 ]"
1 64 THR 0.006 0.006 14 0 "[ . 1 . 2 ]"
1 66 PHE 0.513 0.045 9 0 "[ . 1 . 2 ]"
1 67 PHE 0.759 0.064 1 0 "[ . 1 . 2 ]"
1 70 ALA 0.175 0.055 7 0 "[ . 1 . 2 ]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 PHE 0.008 0.004 15 0 "[ . 1 . 2 ]"
1 78 ILE 1.535 0.067 14 0 "[ . 1 . 2 ]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 TYR 0.003 0.001 15 0 "[ . 1 . 2 ]"
1 81 LYS 0.003 0.001 15 0 "[ . 1 . 2 ]"
1 82 ALA 0.782 0.047 14 0 "[ . 1 . 2 ]"
1 83 PHE 2.109 0.067 14 0 "[ . 1 . 2 ]"
1 84 ALA 0.038 0.011 18 0 "[ . 1 . 2 ]"
1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 MET 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 58 MET ME 1 63 ILE HA 2.200 . 3.000 2.316 2.015 2.417 . 0 0 "[ . 1 . 2 ]" 2
2 1 49 ARG HA 1 52 ILE HB 3.000 . 5.000 2.828 2.545 3.474 . 0 0 "[ . 1 . 2 ]" 2
3 1 78 ILE MD 1 83 PHE QB 3.000 . 5.000 3.522 3.329 3.716 . 0 0 "[ . 1 . 2 ]" 2
4 1 67 PHE HA 1 78 ILE MD 3.000 . 5.000 2.872 1.933 3.129 . 0 0 "[ . 1 . 2 ]" 2
5 1 78 ILE MD 1 83 PHE QD 3.000 . 5.000 3.073 2.822 3.179 . 0 0 "[ . 1 . 2 ]" 2
6 1 67 PHE HA 1 78 ILE QG 3.000 . 5.000 3.193 3.024 3.454 . 0 0 "[ . 1 . 2 ]" 2
7 1 78 ILE QG 1 83 PHE QE 3.000 . 5.000 2.951 2.823 3.551 . 0 0 "[ . 1 . 2 ]" 2
8 1 48 PHE QD 1 78 ILE QG 3.000 . 5.000 3.207 2.361 4.077 . 0 0 "[ . 1 . 2 ]" 2
9 1 78 ILE QG 1 83 PHE QD 3.000 . 5.000 2.248 1.945 3.048 . 0 0 "[ . 1 . 2 ]" 2
10 1 43 VAL MG1 1 80 TYR QB 3.000 . 5.000 3.304 2.432 3.618 . 0 0 "[ . 1 . 2 ]" 2
11 1 81 LYS QB 1 84 ALA MB 3.000 . 5.000 4.078 3.848 4.178 . 0 0 "[ . 1 . 2 ]" 2
12 1 43 VAL MG1 1 80 TYR HA 3.000 . 5.000 3.213 2.618 3.594 . 0 0 "[ . 1 . 2 ]" 2
13 1 43 VAL QG 1 80 TYR QB 3.000 . 5.000 3.280 2.425 3.579 . 0 0 "[ . 1 . 2 ]" 2
14 1 43 VAL QG 1 80 TYR QD 3.000 . 5.000 2.582 2.081 3.117 . 0 0 "[ . 1 . 2 ]" 2
15 1 78 ILE MG 1 82 ALA MB 3.000 . 5.000 3.198 2.357 3.707 . 0 0 "[ . 1 . 2 ]" 2
16 1 70 ALA MB 1 82 ALA MB 3.000 . 3.000 2.959 2.526 3.009 0.009 17 0 "[ . 1 . 2 ]" 2
17 1 82 ALA MB 1 83 PHE QE 3.000 . 5.000 5.034 5.024 5.047 0.047 14 0 "[ . 1 . 2 ]" 2
18 1 78 ILE MG 1 83 PHE QB 3.000 . 5.000 2.254 2.093 2.606 . 0 0 "[ . 1 . 2 ]" 2
19 1 70 ALA MB 1 83 PHE QB 3.000 . 5.000 3.913 3.696 4.149 . 0 0 "[ . 1 . 2 ]" 2
20 1 78 ILE HG12 1 83 PHE QB 4.300 . 5.000 5.045 5.029 5.067 0.067 14 0 "[ . 1 . 2 ]" 2
21 1 67 PHE QD 1 78 ILE QG 4.300 . 6.000 2.855 2.318 3.303 . 0 0 "[ . 1 . 2 ]" 2
22 1 82 ALA MB 1 83 PHE QD 4.300 . 6.000 3.334 3.311 3.416 . 0 0 "[ . 1 . 2 ]" 2
23 1 83 PHE HA 1 86 MET ME 3.000 . 5.000 3.565 2.137 4.669 . 0 0 "[ . 1 . 2 ]" 2
24 1 82 ALA MB 1 83 PHE HA 3.000 . 5.000 3.847 3.770 3.871 . 0 0 "[ . 1 . 2 ]" 2
25 1 70 ALA MB 1 78 ILE MG 2.200 . 3.000 2.019 1.745 2.473 0.055 7 0 "[ . 1 . 2 ]" 2
26 1 45 VAL QG 1 67 PHE QD 3.000 . 5.000 2.294 2.148 2.516 . 0 0 "[ . 1 . 2 ]" 2
27 1 43 VAL QG 1 48 PHE QD 2.200 . 3.000 2.162 1.967 2.344 . 0 0 "[ . 1 . 2 ]" 2
28 1 60 GLU QB 1 61 ALA MB 3.000 . 5.000 4.321 4.230 4.488 . 0 0 "[ . 1 . 2 ]" 2
29 1 60 GLU QG 1 61 ALA MB 2.200 . 3.000 3.026 3.001 3.067 0.067 11 0 "[ . 1 . 2 ]" 2
30 1 61 ALA MB 1 64 THR HB 3.000 . 5.000 4.383 4.308 4.720 . 0 0 "[ . 1 . 2 ]" 2
31 1 61 ALA HA 1 64 THR MG 3.000 . 5.000 3.860 3.755 4.087 . 0 0 "[ . 1 . 2 ]" 2
32 1 23 ASP HA 1 26 THR HA 3.000 . 5.000 5.024 4.994 5.055 0.055 1 0 "[ . 1 . 2 ]" 2
33 1 23 ASP QB 1 26 THR HA 4.300 . 6.000 6.014 6.008 6.036 0.036 1 0 "[ . 1 . 2 ]" 2
34 1 50 GLY QA 1 53 ARG QB 2.200 . 3.000 2.791 2.615 3.004 0.004 14 0 "[ . 1 . 2 ]" 2
35 1 49 ARG QB 1 67 PHE QE 4.300 . 6.000 4.081 3.486 4.881 . 0 0 "[ . 1 . 2 ]" 2
36 1 48 PHE QB 1 67 PHE QE 4.300 . 6.000 2.485 1.938 2.973 . 0 0 "[ . 1 . 2 ]" 2
37 1 48 PHE QD 1 51 ILE MD 2.200 . 3.000 2.975 2.798 3.017 0.017 12 0 "[ . 1 . 2 ]" 2
38 1 31 ALA MB 1 51 ILE QG 3.000 . 5.000 3.905 3.337 4.382 . 0 0 "[ . 1 . 2 ]" 2
39 1 48 PHE QD 1 52 ILE QG 3.000 . 5.000 2.345 2.026 3.832 . 0 0 "[ . 1 . 2 ]" 2
40 1 52 ILE QG 1 56 LEU QB 2.200 . 3.000 2.883 2.309 3.010 0.010 11 0 "[ . 1 . 2 ]" 2
41 1 58 MET ME 1 66 PHE QD 3.000 . 5.000 2.566 1.888 3.174 . 0 0 "[ . 1 . 2 ]" 2
42 1 58 MET ME 1 66 PHE QB 2.200 . 3.000 3.024 3.013 3.045 0.045 9 0 "[ . 1 . 2 ]" 2
43 1 83 PHE QD 1 86 MET ME 3.000 . 5.000 4.048 2.531 4.944 . 0 0 "[ . 1 . 2 ]" 2
44 1 58 MET QB 1 63 ILE MD 3.000 . 5.000 2.015 1.918 2.282 . 0 0 "[ . 1 . 2 ]" 2
45 1 58 MET QB 1 63 ILE HG13 3.000 . 3.000 2.167 1.842 2.621 . 0 0 "[ . 1 . 2 ]" 2
46 1 59 THR HB 1 62 GLU QG 3.000 . 5.000 3.115 2.645 5.007 0.007 4 0 "[ . 1 . 2 ]" 2
47 1 59 THR HB 1 60 GLU QB 3.000 . 5.000 4.739 4.287 4.924 . 0 0 "[ . 1 . 2 ]" 2
48 1 59 THR HG1 1 62 GLU QG 2.200 . 3.000 2.631 2.366 3.068 0.068 4 0 "[ . 1 . 2 ]" 2
49 1 59 THR HA 1 60 GLU QB 3.000 . 5.000 4.546 4.051 4.721 . 0 0 "[ . 1 . 2 ]" 2
50 1 59 THR HA 1 60 GLU QG 3.000 . 5.000 4.024 3.650 5.051 0.051 12 0 "[ . 1 . 2 ]" 2
51 1 44 SER QB 1 77 PHE QE 3.000 . 5.000 3.271 2.423 5.004 0.004 15 0 "[ . 1 . 2 ]" 2
52 1 44 SER HA 1 77 PHE QD 3.000 . 5.000 3.051 2.327 3.915 . 0 0 "[ . 1 . 2 ]" 2
53 1 45 VAL HB 1 48 PHE QD 4.300 . 6.000 6.009 5.936 6.022 0.022 3 0 "[ . 1 . 2 ]" 2
54 1 45 VAL QG 1 67 PHE QE 4.300 . 5.000 2.607 2.451 2.853 . 0 0 "[ . 1 . 2 ]" 2
55 1 46 GLU HA 1 49 ARG QD 3.000 . 5.000 2.660 1.865 4.037 . 0 0 "[ . 1 . 2 ]" 2
56 1 63 ILE HA 1 67 PHE QB 3.000 . 5.000 5.029 4.986 5.040 0.040 4 0 "[ . 1 . 2 ]" 2
57 1 63 ILE QG 1 67 PHE QD 2.200 . 3.000 2.892 2.457 3.064 0.064 1 0 "[ . 1 . 2 ]" 2
58 1 63 ILE QG 1 67 PHE QE 2.200 . 3.000 2.161 1.957 2.494 . 0 0 "[ . 1 . 2 ]" 2
59 1 70 ALA HA 1 71 ASP QB 4.300 . 6.000 4.987 4.898 5.239 . 0 0 "[ . 1 . 2 ]" 2
60 1 67 PHE QE 1 78 ILE QG 4.300 . 6.000 3.576 3.364 4.130 . 0 0 "[ . 1 . 2 ]" 2
61 1 67 PHE QE 1 78 ILE HG12 3.000 . 5.000 4.434 4.123 5.031 0.031 1 0 "[ . 1 . 2 ]" 2
62 1 31 ALA MB 1 51 ILE MG 3.000 . 5.000 3.937 3.355 4.425 . 0 0 "[ . 1 . 2 ]" 2
63 1 60 GLU HA 1 63 ILE HB 2.200 . 3.000 3.049 3.012 3.092 0.092 4 0 "[ . 1 . 2 ]" 2
64 1 44 SER QB 1 77 PHE QD 4.300 . 6.000 2.756 1.895 3.160 . 0 0 "[ . 1 . 2 ]" 2
65 1 80 TYR QD 1 81 LYS HA 3.000 . 5.000 3.580 3.015 4.288 . 0 0 "[ . 1 . 2 ]" 2
66 1 80 TYR QE 1 81 LYS HA 4.300 . 6.000 4.952 4.497 5.277 . 0 0 "[ . 1 . 2 ]" 2
67 1 44 SER HA 1 47 GLU QB 4.300 . 6.000 4.776 4.554 5.066 . 0 0 "[ . 1 . 2 ]" 2
68 1 52 ILE MD 1 63 ILE HG12 4.300 . 6.000 3.882 3.235 4.379 . 0 0 "[ . 1 . 2 ]" 2
69 1 42 PHE QD 1 79 ASP HA 3.000 . 5.000 3.031 2.472 3.642 . 0 0 "[ . 1 . 2 ]" 2
70 1 48 PHE QB 1 52 ILE MD 3.000 . 5.000 4.607 4.385 4.729 . 0 0 "[ . 1 . 2 ]" 2
71 1 48 PHE QB 1 51 ILE MD 4.300 . 6.000 3.940 3.764 4.157 . 0 0 "[ . 1 . 2 ]" 2
72 1 64 THR HA 1 67 PHE QE 3.000 . 5.000 4.612 4.169 5.006 0.006 14 0 "[ . 1 . 2 ]" 2
73 1 43 VAL QG 1 80 TYR HA 4.300 . 6.000 3.199 2.612 3.574 . 0 0 "[ . 1 . 2 ]" 2
74 1 80 TYR QE 1 81 LYS QE 4.300 . 6.000 5.466 4.129 6.001 0.001 15 0 "[ . 1 . 2 ]" 2
75 1 80 TYR QD 1 81 LYS QG 4.300 . 6.000 3.385 3.149 3.771 . 0 0 "[ . 1 . 2 ]" 2
76 1 63 ILE QG 1 67 PHE QB 3.000 . 5.000 3.722 3.624 3.880 . 0 0 "[ . 1 . 2 ]" 2
77 1 52 ILE MD 1 63 ILE QG 3.000 . 5.000 3.197 2.652 3.581 . 0 0 "[ . 1 . 2 ]" 2
78 1 78 ILE MD 1 83 PHE HA 3.000 . 5.000 5.000 4.552 5.044 0.044 1 0 "[ . 1 . 2 ]" 2
79 1 78 ILE MG 1 83 PHE HA 4.300 . 6.000 3.894 3.653 4.494 . 0 0 "[ . 1 . 2 ]" 2
80 1 28 LEU QD 1 84 ALA HA 3.000 . 5.000 4.904 4.442 5.011 0.011 18 0 "[ . 1 . 2 ]" 2
81 1 85 ALA MB 1 86 MET QB 4.300 . 6.000 4.450 4.038 4.694 . 0 0 "[ . 1 . 2 ]" 2
82 1 56 LEU HA 1 57 PRO QD 3.000 . 5.000 2.024 1.895 2.075 . 0 0 "[ . 1 . 2 ]" 2
83 1 52 ILE MG 1 56 LEU QB 3.000 . 5.000 3.121 2.531 4.518 . 0 0 "[ . 1 . 2 ]" 2
84 1 52 ILE MD 1 57 PRO HA 4.300 . 6.000 6.016 6.005 6.025 0.025 7 0 "[ . 1 . 2 ]" 2
85 1 52 ILE MG 1 57 PRO HA 4.300 . 6.000 4.550 4.173 5.601 . 0 0 "[ . 1 . 2 ]" 2
86 1 58 MET QB 1 63 ILE HG12 2.200 . 3.000 2.651 2.066 2.920 . 0 0 "[ . 1 . 2 ]" 2
87 1 59 THR HB 1 61 ALA MB 2.200 . 3.000 3.010 2.967 3.032 0.032 4 0 "[ . 1 . 2 ]" 2
88 1 29 ILE MD 1 33 TYR QE 3.000 . 5.000 4.780 3.968 5.002 0.002 6 0 "[ . 1 . 2 ]" 2
89 1 26 THR HA 1 29 ILE MD 2.200 . 3.000 3.049 3.004 3.059 0.059 19 0 "[ . 1 . 2 ]" 2
90 1 25 LYS QE 1 29 ILE MD 3.000 . 5.000 2.309 1.866 2.784 . 0 0 "[ . 1 . 2 ]" 2
91 1 26 THR MG 1 29 ILE MD 2.200 . 3.000 2.976 2.969 2.982 . 0 0 "[ . 1 . 2 ]" 2
92 1 29 ILE MD 1 33 TYR QD 4.300 . 6.000 5.907 5.190 6.008 0.008 1 0 "[ . 1 . 2 ]" 2
93 1 29 ILE HA 1 32 PHE QB 3.000 . 5.000 3.911 3.550 5.012 0.012 1 0 "[ . 1 . 2 ]" 2
94 1 28 LEU QD 1 52 ILE MD 3.000 . 5.000 3.920 3.117 4.377 . 0 0 "[ . 1 . 2 ]" 2
95 1 43 VAL QG 1 80 TYR QE 3.000 . 5.000 3.862 3.559 4.427 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_