NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
472771 |
1hqi   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hqi
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 1027
_Distance_constraint_stats_list.Viol_count 814
_Distance_constraint_stats_list.Viol_total 698.659
_Distance_constraint_stats_list.Viol_max 0.518
_Distance_constraint_stats_list.Viol_rms 0.0281
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0715
_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 1 MET 0.000 0.000 . 0 "[ . 1 ]"
1 2 SER 0.000 0.000 . 0 "[ . 1 ]"
1 3 SER 0.410 0.080 10 0 "[ . 1 ]"
1 4 LEU 2.183 0.257 11 0 "[ . 1 ]"
1 5 VAL 3.447 0.450 10 0 "[ . 1 ]"
1 6 TYR 1.683 0.450 10 0 "[ . 1 ]"
1 7 ILE 1.016 0.134 4 0 "[ . 1 ]"
1 8 ALA 2.179 0.340 4 0 "[ . 1 ]"
1 9 PHE 2.292 0.284 4 0 "[ . 1 ]"
1 10 GLN 1.584 0.296 8 0 "[ . 1 ]"
1 11 ASP 0.350 0.096 6 0 "[ . 1 ]"
1 12 ASN 1.253 0.410 8 0 "[ . 1 ]"
1 13 ASP 0.647 0.126 3 0 "[ . 1 ]"
1 14 ASN 1.172 0.133 5 0 "[ . 1 ]"
1 15 ALA 1.105 0.133 5 0 "[ . 1 ]"
1 16 ARG 0.248 0.078 7 0 "[ . 1 ]"
1 17 TYR 0.119 0.037 10 0 "[ . 1 ]"
1 18 VAL 0.171 0.052 10 0 "[ . 1 ]"
1 19 VAL 0.219 0.054 8 0 "[ . 1 ]"
1 20 GLU 0.359 0.079 8 0 "[ . 1 ]"
1 21 ALA 0.235 0.053 9 0 "[ . 1 ]"
1 22 ILE 0.063 0.049 10 0 "[ . 1 ]"
1 23 ILE 0.782 0.079 8 0 "[ . 1 ]"
1 24 GLN 1.086 0.126 9 0 "[ . 1 ]"
1 25 ASP 0.109 0.041 10 0 "[ . 1 ]"
1 26 ASN 1.401 0.125 7 0 "[ . 1 ]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 28 HIS 2.663 0.265 8 0 "[ . 1 ]"
1 29 ALA 0.471 0.125 7 0 "[ . 1 ]"
1 30 VAL 0.270 0.055 11 0 "[ . 1 ]"
1 31 VAL 0.737 0.123 12 0 "[ . 1 ]"
1 32 GLN 0.344 0.070 10 0 "[ . 1 ]"
1 33 HIS 0.398 0.094 10 0 "[ . 1 ]"
1 34 HIS 0.386 0.071 8 0 "[ . 1 ]"
1 35 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 37 MET 0.442 0.096 6 0 "[ . 1 ]"
1 38 ILE 0.426 0.129 6 0 "[ . 1 ]"
1 39 ARG 0.739 0.340 4 0 "[ . 1 ]"
1 40 ILE 0.714 0.148 4 0 "[ . 1 ]"
1 41 GLU 1.212 0.198 2 0 "[ . 1 ]"
1 42 ALA 0.283 0.065 10 0 "[ . 1 ]"
1 43 GLU 0.552 0.118 12 0 "[ . 1 ]"
1 44 LYS 1.545 0.438 11 0 "[ . 1 ]"
1 45 ARG 1.379 0.504 12 1 "[ . 1 +]"
1 46 LEU 0.061 0.030 8 0 "[ . 1 ]"
1 47 GLU 0.588 0.238 12 0 "[ . 1 ]"
1 48 ILE 0.403 0.118 8 0 "[ . 1 ]"
1 49 ARG 0.428 0.079 8 0 "[ . 1 ]"
1 50 ARG 0.245 0.137 2 0 "[ . 1 ]"
1 51 GLU 0.351 0.031 12 0 "[ . 1 ]"
1 52 THR 1.536 0.141 2 0 "[ . 1 ]"
1 53 VAL 0.285 0.071 5 0 "[ . 1 ]"
1 54 GLU 1.220 0.497 9 0 "[ . 1 ]"
1 55 GLU 0.777 0.072 6 0 "[ . 1 ]"
1 56 ASN 1.707 0.315 12 0 "[ . 1 ]"
1 57 LEU 0.325 0.215 3 0 "[ . 1 ]"
1 58 GLY 0.482 0.215 3 0 "[ . 1 ]"
1 59 ARG 4.910 0.518 2 2 "[ + . 1- ]"
1 60 ALA 0.902 0.302 12 0 "[ . 1 ]"
1 61 TRP 1.373 0.302 12 0 "[ . 1 ]"
1 62 ASP 2.080 0.289 3 0 "[ . 1 ]"
1 63 VAL 1.033 0.289 3 0 "[ . 1 ]"
1 64 GLN 0.362 0.082 8 0 "[ . 1 ]"
1 65 GLU 0.166 0.046 12 0 "[ . 1 ]"
1 66 MET 1.085 0.142 11 0 "[ . 1 ]"
1 67 LEU 0.959 0.142 11 0 "[ . 1 ]"
1 68 VAL 0.426 0.064 12 0 "[ . 1 ]"
1 69 ASP 1.801 0.296 8 0 "[ . 1 ]"
1 70 VAL 1.190 0.377 7 0 "[ . 1 ]"
1 71 ILE 1.398 0.377 7 0 "[ . 1 ]"
1 72 THR 2.562 0.275 5 0 "[ . 1 ]"
1 73 ILE 2.026 0.273 6 0 "[ . 1 ]"
1 74 GLY 1.489 0.399 1 0 "[ . 1 ]"
1 75 GLY 1.609 0.399 1 0 "[ . 1 ]"
1 76 ASN 1.739 0.212 12 0 "[ . 1 ]"
1 77 VAL 1.370 0.293 7 0 "[ . 1 ]"
1 78 ASP 3.517 0.437 2 0 "[ . 1 ]"
1 79 GLU 2.499 0.437 2 0 "[ . 1 ]"
1 80 ASP 0.347 0.093 8 0 "[ . 1 ]"
1 81 ASP 0.287 0.048 2 0 "[ . 1 ]"
1 82 ASP 0.805 0.171 12 0 "[ . 1 ]"
1 83 ARG 1.420 0.171 12 0 "[ . 1 ]"
1 84 PHE 0.637 0.126 1 0 "[ . 1 ]"
1 85 VAL 1.350 0.366 8 0 "[ . 1 ]"
1 86 LEU 5.071 0.375 5 0 "[ . 1 ]"
1 87 GLU 3.747 0.293 7 0 "[ . 1 ]"
1 88 TRP 2.596 0.504 12 1 "[ . 1 +]"
1 89 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 90 ASN 0.000 0.000 . 0 "[ . 1 ]"
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 1 MET H1 1 1 MET HA 4.000 . 5.000 2.653 2.446 2.959 . 0 0 "[ . 1 ]" 1
2 1 1 MET HA 1 2 SER H 4.000 . 5.000 2.651 2.282 3.524 . 0 0 "[ . 1 ]" 1
3 1 2 SER HA 1 3 SER H 4.000 . 5.000 3.004 2.193 3.584 . 0 0 "[ . 1 ]" 1
4 1 3 SER HA 1 3 SER HB3 3.000 . 3.700 2.370 2.247 2.602 . 0 0 "[ . 1 ]" 1
5 1 3 SER HA 1 3 SER HB2 3.000 . 3.700 2.870 2.355 3.033 . 0 0 "[ . 1 ]" 1
6 1 3 SER HA 1 44 LYS HA 4.000 . 5.000 4.926 4.124 5.080 0.080 10 0 "[ . 1 ]" 1
7 1 3 SER QB 1 44 LYS HA 4.000 . 6.000 3.240 1.701 5.036 . 0 0 "[ . 1 ]" 1
8 1 3 SER QB 1 45 ARG HA 4.000 . 6.000 5.061 4.595 5.616 . 0 0 "[ . 1 ]" 1
9 1 3 SER HA 1 4 LEU H 4.000 . 5.000 2.650 2.217 3.339 . 0 0 "[ . 1 ]" 1
10 1 4 LEU H 1 4 LEU HA 2.500 . 3.000 2.960 2.895 2.989 . 0 0 "[ . 1 ]" 1
11 1 4 LEU H 1 4 LEU HB3 3.000 . 3.600 3.505 3.351 3.618 0.018 11 0 "[ . 1 ]" 1
12 1 4 LEU H 1 4 LEU HB2 3.000 . 3.600 3.721 3.640 3.857 0.257 11 0 "[ . 1 ]" 1
13 1 4 LEU H 1 4 LEU QD 4.000 . 7.000 2.216 1.681 2.796 . 0 0 "[ . 1 ]" 1
14 1 4 LEU HA 1 4 LEU QB 2.500 . 3.600 2.175 2.161 2.185 . 0 0 "[ . 1 ]" 1
15 1 4 LEU HA 1 4 LEU HG 3.000 . 4.600 3.617 3.456 4.252 . 0 0 "[ . 1 ]" 1
16 1 4 LEU HA 1 5 VAL H 2.500 . 3.000 2.413 2.266 2.777 . 0 0 "[ . 1 ]" 1
17 1 4 LEU HB3 1 5 VAL H 3.000 . 3.600 3.544 3.178 3.703 0.103 12 0 "[ . 1 ]" 1
18 1 4 LEU HB2 1 5 VAL H 3.000 . 3.600 2.483 1.839 2.715 . 0 0 "[ . 1 ]" 1
19 1 4 LEU QD 1 5 VAL H 4.000 . 5.000 3.397 2.883 3.697 . 0 0 "[ . 1 ]" 1
20 1 4 LEU H 1 5 VAL H 4.000 . 5.000 4.437 4.355 4.507 . 0 0 "[ . 1 ]" 1
21 1 4 LEU QB 1 5 VAL HA 4.000 . 6.000 4.221 4.012 4.328 . 0 0 "[ . 1 ]" 1
22 1 4 LEU HB3 1 43 GLU H 4.000 . 5.000 4.780 4.444 5.052 0.052 11 0 "[ . 1 ]" 1
23 1 4 LEU HB2 1 43 GLU H 4.000 . 5.000 5.029 4.953 5.118 0.118 12 0 "[ . 1 ]" 1
24 1 4 LEU H 1 43 GLU HA 4.000 . 5.000 4.254 4.020 4.468 . 0 0 "[ . 1 ]" 1
25 1 4 LEU HA 1 44 LYS H 3.000 . 3.600 2.106 1.807 2.672 . 0 0 "[ . 1 ]" 1
26 1 4 LEU QB 1 42 ALA HA 4.000 . 6.000 4.875 4.591 5.428 . 0 0 "[ . 1 ]" 1
27 1 5 VAL H 1 5 VAL HA 2.500 . 3.000 2.986 2.935 3.017 0.017 8 0 "[ . 1 ]" 1
28 1 5 VAL H 1 5 VAL HB 3.000 . 3.600 3.380 2.284 3.841 0.241 3 0 "[ . 1 ]" 1
29 1 5 VAL H 1 5 VAL QG 4.000 . 6.600 2.276 1.948 3.020 . 0 0 "[ . 1 ]" 1
30 1 5 VAL HA 1 6 TYR H 2.500 . 3.000 2.584 2.393 2.970 . 0 0 "[ . 1 ]" 1
31 1 5 VAL HB 1 6 TYR H 3.000 . 3.600 2.831 2.140 3.739 0.139 8 0 "[ . 1 ]" 1
32 1 5 VAL QG 1 6 TYR H 4.000 . 7.000 2.184 1.727 3.059 . 0 0 "[ . 1 ]" 1
33 1 5 VAL HA 1 6 TYR QD 4.000 . 7.000 5.686 4.567 5.875 . 0 0 "[ . 1 ]" 1
34 1 5 VAL HB 1 6 TYR HA 4.000 . 5.000 4.738 4.240 5.450 0.450 10 0 "[ . 1 ]" 1
35 1 5 VAL MG1 1 6 TYR HA 4.000 . 6.500 4.606 2.859 5.410 . 0 0 "[ . 1 ]" 1
36 1 5 VAL MG2 1 6 TYR HA 4.000 . 6.500 3.875 2.923 5.419 . 0 0 "[ . 1 ]" 1
37 1 5 VAL MG1 1 41 GLU HA 4.000 . 6.500 4.922 3.032 5.560 . 0 0 "[ . 1 ]" 1
38 1 5 VAL MG2 1 41 GLU HA 4.000 . 6.500 4.075 2.972 5.561 . 0 0 "[ . 1 ]" 1
39 1 5 VAL HB 1 42 ALA MB 4.000 . 6.500 3.430 1.693 4.906 . 0 0 "[ . 1 ]" 1
40 1 5 VAL QG 1 42 ALA H 4.000 . 7.900 2.579 1.820 3.763 . 0 0 "[ . 1 ]" 1
41 1 5 VAL MG1 1 43 GLU H 4.000 . 6.500 4.553 3.223 5.544 . 0 0 "[ . 1 ]" 1
42 1 5 VAL MG2 1 43 GLU H 4.000 . 6.500 4.215 3.231 5.367 . 0 0 "[ . 1 ]" 1
43 1 5 VAL QG 1 42 ALA MB 4.000 . 8.000 1.916 1.528 2.469 . 0 0 "[ . 1 ]" 1
44 1 5 VAL H 1 43 GLU HA 3.000 . 3.600 3.123 2.079 3.525 . 0 0 "[ . 1 ]" 1
45 1 5 VAL H 1 42 ALA H 3.000 . 3.600 2.674 2.073 3.665 0.065 10 0 "[ . 1 ]" 1
46 1 5 VAL HA 1 75 GLY H 4.000 . 5.000 4.987 4.401 5.381 0.381 8 0 "[ . 1 ]" 1
47 1 5 VAL MG1 1 75 GLY H 4.000 . 6.500 4.624 2.881 5.478 . 0 0 "[ . 1 ]" 1
48 1 5 VAL MG2 1 75 GLY H 4.000 . 6.500 4.914 2.995 5.367 . 0 0 "[ . 1 ]" 1
49 1 5 VAL MG1 1 44 LYS H 4.000 . 6.500 3.547 2.105 5.451 . 0 0 "[ . 1 ]" 1
50 1 5 VAL QG 1 75 GLY QA 4.000 . 7.500 2.720 1.616 4.593 . 0 0 "[ . 1 ]" 1
51 1 6 TYR H 1 6 TYR HA 2.500 . 3.000 2.928 2.785 2.970 . 0 0 "[ . 1 ]" 1
52 1 6 TYR HA 1 6 TYR HB3 2.500 . 3.000 2.991 2.854 3.022 0.022 9 0 "[ . 1 ]" 1
53 1 6 TYR HA 1 6 TYR HB2 2.500 . 3.000 2.338 2.255 2.385 . 0 0 "[ . 1 ]" 1
54 1 6 TYR HA 1 6 TYR QD 4.000 . 7.000 2.804 2.271 3.513 . 0 0 "[ . 1 ]" 1
55 1 6 TYR HB3 1 6 TYR QD 3.000 . 5.600 2.387 2.302 2.528 . 0 0 "[ . 1 ]" 1
56 1 6 TYR HB2 1 6 TYR QD 3.000 . 5.600 2.530 2.327 2.756 . 0 0 "[ . 1 ]" 1
57 1 6 TYR H 1 6 TYR QD 4.000 . 7.000 4.063 3.454 4.356 . 0 0 "[ . 1 ]" 1
58 1 6 TYR HA 1 7 ILE H 3.000 . 3.600 2.254 2.201 2.309 . 0 0 "[ . 1 ]" 1
59 1 6 TYR HB3 1 7 ILE H 4.000 . 5.000 4.264 4.166 4.387 . 0 0 "[ . 1 ]" 1
60 1 6 TYR HB2 1 7 ILE H 4.000 . 5.000 3.914 3.514 4.078 . 0 0 "[ . 1 ]" 1
61 1 6 TYR QE 1 7 ILE H 3.000 . 5.600 3.926 3.368 4.794 . 0 0 "[ . 1 ]" 1
62 1 6 TYR HA 1 7 ILE HB 4.000 . 6.000 5.665 5.627 5.709 . 0 0 "[ . 1 ]" 1
63 1 6 TYR QE 1 8 ALA MB 4.000 . 8.000 2.781 1.746 3.267 . 0 0 "[ . 1 ]" 1
64 1 6 TYR QD 1 8 ALA MB 4.000 . 8.000 4.279 3.700 4.590 . 0 0 "[ . 1 ]" 1
65 1 6 TYR HA 1 42 ALA H 3.000 . 3.600 3.318 2.732 3.645 0.045 12 0 "[ . 1 ]" 1
66 1 6 TYR H 1 74 GLY QA 3.000 . 3.600 2.693 1.813 3.149 . 0 0 "[ . 1 ]" 1
67 1 6 TYR H 1 74 GLY H 3.000 . 3.600 3.318 2.882 3.828 0.228 6 0 "[ . 1 ]" 1
68 1 6 TYR QB 1 42 ALA H 4.000 . 6.000 4.411 3.635 4.695 . 0 0 "[ . 1 ]" 1
69 1 6 TYR HA 1 41 GLU HA 3.000 . 3.600 2.022 1.758 2.474 0.042 8 0 "[ . 1 ]" 1
70 1 6 TYR HB3 1 41 GLU HA 4.000 . 5.000 4.820 3.279 5.104 0.104 11 0 "[ . 1 ]" 1
71 1 6 TYR HB2 1 41 GLU HA 4.000 . 5.000 3.815 2.258 4.279 . 0 0 "[ . 1 ]" 1
72 1 6 TYR QE 1 41 GLU HA 4.000 . 7.400 5.593 5.021 6.111 . 0 0 "[ . 1 ]" 1
73 1 6 TYR QE 1 72 THR HA 4.000 . 7.400 4.983 3.942 5.655 . 0 0 "[ . 1 ]" 1
74 1 6 TYR QD 1 72 THR HA 4.000 . 7.400 6.096 5.280 6.780 . 0 0 "[ . 1 ]" 1
75 1 6 TYR QE 1 72 THR HB 4.000 . 7.400 3.853 2.425 6.869 . 0 0 "[ . 1 ]" 1
76 1 6 TYR QD 1 72 THR HB 4.000 . 7.400 4.952 3.913 6.948 . 0 0 "[ . 1 ]" 1
77 1 6 TYR QE 1 73 ILE HA 4.000 . 7.400 5.185 4.222 5.874 . 0 0 "[ . 1 ]" 1
78 1 6 TYR QD 1 73 ILE HA 4.000 . 7.400 4.683 3.620 6.085 . 0 0 "[ . 1 ]" 1
79 1 6 TYR QD 1 72 THR MG 4.000 . 8.900 4.211 3.095 6.145 . 0 0 "[ . 1 ]" 1
80 1 6 TYR QE 1 72 THR MG 4.000 . 8.900 2.870 1.805 6.043 . 0 0 "[ . 1 ]" 1
81 1 6 TYR QE 1 73 ILE MD 4.000 . 9.900 5.782 3.209 7.435 . 0 0 "[ . 1 ]" 1
82 1 6 TYR QD 1 73 ILE MD 4.000 . 9.900 5.652 4.246 7.492 . 0 0 "[ . 1 ]" 1
83 1 6 TYR QE 1 74 GLY HA3 4.000 . 7.400 5.229 3.999 6.843 . 0 0 "[ . 1 ]" 1
84 1 6 TYR QD 1 74 GLY HA3 4.000 . 7.400 3.308 1.875 5.669 . 0 0 "[ . 1 ]" 1
85 1 6 TYR QE 1 74 GLY HA2 4.000 . 7.400 5.843 5.001 6.328 . 0 0 "[ . 1 ]" 1
86 1 6 TYR QD 1 74 GLY HA2 4.000 . 7.400 4.130 3.134 4.897 . 0 0 "[ . 1 ]" 1
87 1 7 ILE H 1 7 ILE HA 2.500 . 3.000 2.941 2.923 2.980 . 0 0 "[ . 1 ]" 1
88 1 7 ILE H 1 7 ILE HB 4.000 . 4.100 3.978 3.770 4.061 . 0 0 "[ . 1 ]" 1
89 1 7 ILE H 1 7 ILE MD 3.000 . 4.600 3.698 1.852 3.970 . 0 0 "[ . 1 ]" 1
90 1 7 ILE H 1 7 ILE QG 3.000 . 4.600 2.423 2.020 3.360 . 0 0 "[ . 1 ]" 1
91 1 7 ILE HA 1 7 ILE HB 2.500 . 3.000 2.430 2.374 2.583 . 0 0 "[ . 1 ]" 1
92 1 7 ILE HA 1 7 ILE QG 3.000 . 4.600 3.331 3.262 3.444 . 0 0 "[ . 1 ]" 1
93 1 7 ILE HA 1 7 ILE MG 3.000 . 4.600 2.448 2.262 2.537 . 0 0 "[ . 1 ]" 1
94 1 7 ILE HA 1 8 ALA H 2.500 . 3.000 2.324 2.231 2.463 . 0 0 "[ . 1 ]" 1
95 1 7 ILE HB 1 8 ALA H 3.000 . 3.600 3.058 2.759 3.285 . 0 0 "[ . 1 ]" 1
96 1 7 ILE MD 1 8 ALA H 4.000 . 6.000 4.285 2.748 5.039 . 0 0 "[ . 1 ]" 1
97 1 7 ILE HA 1 8 ALA HA 4.000 . 5.000 4.495 4.433 4.591 . 0 0 "[ . 1 ]" 1
98 1 7 ILE MD 1 9 PHE QE 4.000 . 9.000 4.234 2.452 5.669 . 0 0 "[ . 1 ]" 1
99 1 7 ILE H 1 41 GLU HA 3.000 . 3.600 2.961 2.546 3.521 . 0 0 "[ . 1 ]" 1
100 1 7 ILE H 1 40 ILE H 3.000 . 3.600 3.341 2.864 3.734 0.134 4 0 "[ . 1 ]" 1
101 1 7 ILE MG 1 42 ALA H 4.000 . 6.500 4.867 4.396 5.261 . 0 0 "[ . 1 ]" 1
102 1 7 ILE MG 1 42 ALA MB 4.000 . 7.500 4.225 3.556 4.925 . 0 0 "[ . 1 ]" 1
103 1 7 ILE QG 1 42 ALA H 4.000 . 6.500 5.265 4.327 5.749 . 0 0 "[ . 1 ]" 1
104 1 7 ILE MG 1 40 ILE H 4.000 . 6.500 5.341 5.137 5.492 . 0 0 "[ . 1 ]" 1
105 1 7 ILE MD 1 40 ILE H 4.000 . 6.500 4.433 3.269 5.323 . 0 0 "[ . 1 ]" 1
106 1 7 ILE HA 1 73 ILE H 3.000 . 3.600 3.363 2.109 3.689 0.089 7 0 "[ . 1 ]" 1
107 1 7 ILE HB 1 73 ILE H 4.000 . 5.000 4.614 2.368 5.095 0.095 2 0 "[ . 1 ]" 1
108 1 7 ILE HA 1 72 THR HA 4.000 . 5.000 4.404 3.212 5.013 0.013 5 0 "[ . 1 ]" 1
109 1 7 ILE QG 1 74 GLY H 4.000 . 6.500 5.375 4.411 5.764 . 0 0 "[ . 1 ]" 1
110 1 7 ILE MG 1 74 GLY H 4.000 . 6.500 2.452 1.691 3.718 . 0 0 "[ . 1 ]" 1
111 1 7 ILE MG 1 75 GLY H 4.000 . 6.500 4.356 2.969 5.346 . 0 0 "[ . 1 ]" 1
112 1 7 ILE MG 1 73 ILE HA 4.000 . 6.500 2.271 1.789 4.012 . 0 0 "[ . 1 ]" 1
113 1 7 ILE HA 1 72 THR MG 4.000 . 6.500 3.819 3.395 4.624 . 0 0 "[ . 1 ]" 1
114 1 7 ILE HA 1 73 ILE MG 4.000 . 6.500 3.604 1.565 4.587 . 0 0 "[ . 1 ]" 1
115 1 8 ALA H 1 8 ALA HA 2.500 . 3.000 2.963 2.909 2.995 . 0 0 "[ . 1 ]" 1
116 1 8 ALA H 1 8 ALA MB 3.000 . 4.200 2.608 2.372 2.857 . 0 0 "[ . 1 ]" 1
117 1 8 ALA HA 1 9 PHE H 2.500 . 3.000 2.397 2.234 2.657 . 0 0 "[ . 1 ]" 1
118 1 8 ALA MB 1 9 PHE H 4.000 . 6.500 2.559 1.870 2.978 . 0 0 "[ . 1 ]" 1
119 1 8 ALA MB 1 9 PHE QD 4.000 . 8.000 4.487 3.902 4.930 . 0 0 "[ . 1 ]" 1
120 1 8 ALA MB 1 9 PHE QE 4.000 . 8.000 5.643 4.803 6.101 . 0 0 "[ . 1 ]" 1
121 1 8 ALA MB 1 9 PHE QB 4.000 . 7.000 4.464 4.045 4.781 . 0 0 "[ . 1 ]" 1
122 1 8 ALA H 1 72 THR H 4.000 . 5.000 2.877 2.300 3.777 . 0 0 "[ . 1 ]" 1
123 1 8 ALA H 1 72 THR HA 3.000 . 3.600 3.461 1.849 3.875 0.275 5 0 "[ . 1 ]" 1
124 1 8 ALA H 1 72 THR HB 4.000 . 5.000 2.177 1.771 3.942 0.029 4 0 "[ . 1 ]" 1
125 1 8 ALA H 1 72 THR MG 4.000 . 6.000 3.494 3.238 3.587 . 0 0 "[ . 1 ]" 1
126 1 8 ALA HA 1 39 ARG H 4.000 . 5.000 4.759 4.398 5.046 0.046 11 0 "[ . 1 ]" 1
127 1 8 ALA HA 1 40 ILE H 3.000 . 3.600 2.913 2.059 3.417 . 0 0 "[ . 1 ]" 1
128 1 8 ALA HA 1 39 ARG HA 3.000 . 3.600 2.270 1.835 3.940 0.340 4 0 "[ . 1 ]" 1
129 1 8 ALA MB 1 40 ILE H 4.000 . 6.500 2.987 2.758 4.014 . 0 0 "[ . 1 ]" 1
130 1 8 ALA MB 1 39 ARG H 4.000 . 6.500 4.035 3.751 4.534 . 0 0 "[ . 1 ]" 1
131 1 8 ALA MB 1 38 ILE H 4.000 . 6.500 4.108 3.623 4.695 . 0 0 "[ . 1 ]" 1
132 1 8 ALA HA 1 39 ARG QB 4.000 . 6.000 3.690 1.602 4.616 . 0 0 "[ . 1 ]" 1
133 1 8 ALA MB 1 39 ARG QB 4.000 . 7.000 2.478 1.667 3.383 . 0 0 "[ . 1 ]" 1
134 1 8 ALA MB 1 38 ILE HA 4.000 . 6.500 4.961 4.762 5.265 . 0 0 "[ . 1 ]" 1
135 1 8 ALA MB 1 40 ILE HA 4.000 . 6.500 5.297 5.225 5.382 . 0 0 "[ . 1 ]" 1
136 1 9 PHE H 1 9 PHE HA 2.500 . 3.000 2.943 2.880 2.987 . 0 0 "[ . 1 ]" 1
137 1 9 PHE H 1 9 PHE HB3 3.000 . 3.600 3.490 3.009 3.845 0.245 5 0 "[ . 1 ]" 1
138 1 9 PHE H 1 9 PHE HB2 3.000 . 3.600 3.203 2.546 3.855 0.255 6 0 "[ . 1 ]" 1
139 1 9 PHE HA 1 9 PHE HB3 2.500 . 3.000 2.613 2.312 2.884 . 0 0 "[ . 1 ]" 1
140 1 9 PHE HA 1 9 PHE HB2 2.500 . 3.000 2.746 2.349 3.011 0.011 5 0 "[ . 1 ]" 1
141 1 9 PHE HA 1 9 PHE QD 4.000 . 7.400 2.941 1.802 3.697 . 0 0 "[ . 1 ]" 1
142 1 9 PHE HA 1 9 PHE QE 4.000 . 7.400 4.757 3.949 5.593 . 0 0 "[ . 1 ]" 1
143 1 9 PHE HB3 1 9 PHE QD 3.000 . 6.000 2.473 2.286 2.786 . 0 0 "[ . 1 ]" 1
144 1 9 PHE HB2 1 9 PHE QD 3.000 . 6.000 2.433 2.293 2.621 . 0 0 "[ . 1 ]" 1
145 1 9 PHE HA 1 10 GLN H 3.000 . 3.600 2.503 2.330 2.749 . 0 0 "[ . 1 ]" 1
146 1 9 PHE HB3 1 10 GLN H 4.000 . 5.000 3.030 2.348 3.905 . 0 0 "[ . 1 ]" 1
147 1 9 PHE HB2 1 10 GLN H 4.000 . 5.000 3.190 1.847 4.219 . 0 0 "[ . 1 ]" 1
148 1 9 PHE QE 1 10 GLN H 4.000 . 7.400 4.959 3.894 5.575 . 0 0 "[ . 1 ]" 1
149 1 9 PHE H 1 38 ILE H 3.000 . 3.600 3.500 3.140 3.729 0.129 6 0 "[ . 1 ]" 1
150 1 9 PHE H 1 39 ARG HA 3.000 . 3.600 3.174 2.153 3.884 0.284 4 0 "[ . 1 ]" 1
151 1 9 PHE HA 1 71 ILE H 4.000 . 5.000 3.574 2.565 4.254 . 0 0 "[ . 1 ]" 1
152 1 9 PHE HA 1 70 VAL HA 4.000 . 5.000 4.051 3.160 5.005 0.005 1 0 "[ . 1 ]" 1
153 1 9 PHE HA 1 70 VAL QG 4.000 . 6.500 3.113 1.714 4.036 . 0 0 "[ . 1 ]" 1
154 1 9 PHE QD 1 70 VAL HA 4.000 . 7.400 4.547 1.869 6.694 . 0 0 "[ . 1 ]" 1
155 1 9 PHE QD 1 70 VAL H 4.000 . 7.400 4.659 3.898 5.608 . 0 0 "[ . 1 ]" 1
156 1 9 PHE QD 1 70 VAL QG 4.000 . 8.900 3.776 1.730 5.042 . 0 0 "[ . 1 ]" 1
157 1 9 PHE QE 1 70 VAL QG 4.000 . 8.900 4.652 1.579 6.086 . 0 0 "[ . 1 ]" 1
158 1 9 PHE QD 1 69 ASP HB3 4.000 . 7.400 4.618 2.923 6.708 . 0 0 "[ . 1 ]" 1
159 1 9 PHE QE 1 69 ASP HB3 4.000 . 7.400 5.904 4.961 6.893 . 0 0 "[ . 1 ]" 1
160 1 9 PHE QD 1 69 ASP HB2 4.000 . 7.400 4.187 3.098 7.031 . 0 0 "[ . 1 ]" 1
161 1 9 PHE QE 1 69 ASP HB2 4.000 . 7.400 5.485 4.110 6.776 . 0 0 "[ . 1 ]" 1
162 1 10 GLN H 1 10 GLN HA 2.500 . 3.000 2.954 2.826 2.996 . 0 0 "[ . 1 ]" 1
163 1 10 GLN H 1 10 GLN QB 3.000 . 4.200 2.742 2.453 3.478 . 0 0 "[ . 1 ]" 1
164 1 10 GLN H 1 10 GLN QG 4.000 . 5.600 4.039 2.414 4.377 . 0 0 "[ . 1 ]" 1
165 1 10 GLN HE22 1 10 GLN HG3 4.000 . 5.000 4.062 3.827 4.121 . 0 0 "[ . 1 ]" 1
166 1 10 GLN HE22 1 10 GLN HG2 4.000 . 5.000 3.664 3.516 4.041 . 0 0 "[ . 1 ]" 1
167 1 10 GLN HA 1 11 ASP H 2.500 . 3.000 2.285 2.181 2.397 . 0 0 "[ . 1 ]" 1
168 1 10 GLN HA 1 38 ILE H 3.000 . 3.600 3.038 2.535 3.403 . 0 0 "[ . 1 ]" 1
169 1 10 GLN HA 1 37 MET HA 3.000 . 3.600 3.019 2.083 3.279 . 0 0 "[ . 1 ]" 1
170 1 10 GLN QB 1 36 ALA MB 4.000 . 7.500 5.108 4.034 5.491 . 0 0 "[ . 1 ]" 1
171 1 10 GLN QB 1 38 ILE H 4.000 . 6.000 3.956 3.538 4.506 . 0 0 "[ . 1 ]" 1
172 1 10 GLN H 1 70 VAL HA 4.000 . 5.000 3.358 1.630 4.386 0.170 7 0 "[ . 1 ]" 1
173 1 10 GLN H 1 70 VAL QG 4.000 . 7.000 2.789 1.760 3.695 . 0 0 "[ . 1 ]" 1
174 1 10 GLN H 1 71 ILE H 4.000 . 5.000 4.424 3.359 4.975 . 0 0 "[ . 1 ]" 1
175 1 10 GLN HA 1 69 ASP QB 4.000 . 6.000 4.429 3.721 5.281 . 0 0 "[ . 1 ]" 1
176 1 10 GLN HE21 1 69 ASP HA 4.000 . 5.000 4.900 3.990 5.109 0.109 11 0 "[ . 1 ]" 1
177 1 10 GLN HE22 1 69 ASP HA 4.000 . 5.000 5.051 4.913 5.296 0.296 8 0 "[ . 1 ]" 1
178 1 10 GLN HE21 1 38 ILE MG 4.000 . 6.500 4.305 2.932 5.223 . 0 0 "[ . 1 ]" 1
179 1 10 GLN HE21 1 38 ILE MD 4.000 . 6.500 3.729 1.977 4.786 . 0 0 "[ . 1 ]" 1
180 1 10 GLN HE22 1 38 ILE MG 4.000 . 6.500 5.208 4.203 5.413 . 0 0 "[ . 1 ]" 1
181 1 10 GLN HE22 1 38 ILE MD 4.000 . 6.500 4.582 2.663 5.335 . 0 0 "[ . 1 ]" 1
182 1 11 ASP H 1 11 ASP HA 2.500 . 3.000 2.977 2.904 2.993 . 0 0 "[ . 1 ]" 1
183 1 11 ASP H 1 12 ASN H 4.000 . 5.000 4.455 4.019 4.566 . 0 0 "[ . 1 ]" 1
184 1 11 ASP HA 1 12 ASN H 3.000 . 3.600 2.564 2.232 3.205 . 0 0 "[ . 1 ]" 1
185 1 11 ASP H 1 37 MET HA 4.000 . 5.000 4.807 2.947 5.096 0.096 6 0 "[ . 1 ]" 1
186 1 12 ASN H 1 12 ASN HA 2.500 . 3.000 2.941 2.869 2.993 . 0 0 "[ . 1 ]" 1
187 1 12 ASN H 1 12 ASN HB3 2.500 . 3.000 2.797 2.457 3.171 0.171 8 0 "[ . 1 ]" 1
188 1 12 ASN H 1 12 ASN HB2 2.500 . 3.000 2.685 2.264 3.410 0.410 8 0 "[ . 1 ]" 1
189 1 12 ASN HA 1 13 ASP H 4.000 . 5.000 3.418 3.129 3.586 . 0 0 "[ . 1 ]" 1
190 1 12 ASN H 1 13 ASP H 3.000 . 3.600 2.789 2.241 3.629 0.029 9 0 "[ . 1 ]" 1
191 1 12 ASN QB 1 14 ASN H 4.000 . 6.000 4.037 2.829 5.209 . 0 0 "[ . 1 ]" 1
192 1 12 ASN HA 1 14 ASN H 4.000 . 5.000 5.028 4.788 5.110 0.110 8 0 "[ . 1 ]" 1
193 1 13 ASP HA 1 14 ASN H 4.000 . 5.000 2.911 2.202 3.523 . 0 0 "[ . 1 ]" 1
194 1 13 ASP HA 1 16 ARG H 4.000 . 5.000 4.656 4.023 5.078 0.078 7 0 "[ . 1 ]" 1
195 1 13 ASP H 1 15 ALA H 4.000 . 5.000 4.162 2.439 5.126 0.126 3 0 "[ . 1 ]" 1
196 1 14 ASN H 1 14 ASN HA 2.500 . 3.000 2.926 2.844 2.989 . 0 0 "[ . 1 ]" 1
197 1 14 ASN H 1 14 ASN QB 3.000 . 4.200 2.325 2.077 2.951 . 0 0 "[ . 1 ]" 1
198 1 14 ASN HA 1 14 ASN QB 2.500 . 3.000 2.430 2.195 2.547 . 0 0 "[ . 1 ]" 1
199 1 14 ASN H 1 15 ALA H 2.500 . 3.000 2.470 2.059 2.658 . 0 0 "[ . 1 ]" 1
200 1 14 ASN HA 1 15 ALA H 3.000 . 3.600 3.427 3.185 3.585 . 0 0 "[ . 1 ]" 1
201 1 14 ASN QB 1 15 ALA H 4.000 . 6.000 3.028 2.165 3.567 . 0 0 "[ . 1 ]" 1
202 1 14 ASN HA 1 17 TYR H 3.000 . 3.900 3.347 2.913 3.779 . 0 0 "[ . 1 ]" 1
203 1 14 ASN HA 1 16 ARG H 4.000 . 5.000 3.944 3.099 4.991 . 0 0 "[ . 1 ]" 1
204 1 14 ASN HA 1 16 ARG QG 4.000 . 6.000 4.822 3.633 5.397 . 0 0 "[ . 1 ]" 1
205 1 14 ASN HA 1 17 TYR QD 4.000 . 7.000 4.202 3.584 5.034 . 0 0 "[ . 1 ]" 1
206 1 14 ASN HA 1 17 TYR QB 4.000 . 6.000 3.026 2.232 4.423 . 0 0 "[ . 1 ]" 1
207 1 14 ASN QB 1 16 ARG H 4.000 . 6.000 4.735 4.290 5.324 . 0 0 "[ . 1 ]" 1
208 1 14 ASN QB 1 17 TYR QD 4.000 . 8.400 5.153 4.060 6.338 . 0 0 "[ . 1 ]" 1
209 1 14 ASN HA 1 17 TYR QE 4.000 . 7.000 6.099 5.505 6.502 . 0 0 "[ . 1 ]" 1
210 1 15 ALA H 1 15 ALA HA 2.500 . 3.000 2.820 2.756 2.875 . 0 0 "[ . 1 ]" 1
211 1 15 ALA H 1 15 ALA MB 3.000 . 4.200 2.150 2.049 2.257 . 0 0 "[ . 1 ]" 1
212 1 15 ALA H 1 16 ARG H 2.500 . 3.000 2.758 2.671 2.882 . 0 0 "[ . 1 ]" 1
213 1 15 ALA HA 1 16 ARG H 3.000 . 3.600 3.518 3.427 3.568 . 0 0 "[ . 1 ]" 1
214 1 15 ALA MB 1 16 ARG H 3.000 . 4.600 2.640 2.171 3.057 . 0 0 "[ . 1 ]" 1
215 1 15 ALA H 1 17 TYR H 4.000 . 5.000 4.382 3.655 5.037 0.037 10 0 "[ . 1 ]" 1
216 1 15 ALA MB 1 17 TYR H 4.000 . 6.500 4.632 4.103 5.137 . 0 0 "[ . 1 ]" 1
217 1 15 ALA HA 1 18 VAL H 3.000 . 3.600 3.390 3.104 3.581 . 0 0 "[ . 1 ]" 1
218 1 15 ALA HA 1 18 VAL HB 4.000 . 5.000 2.887 1.943 3.523 . 0 0 "[ . 1 ]" 1
219 1 15 ALA HA 1 18 VAL QG 4.000 . 7.900 2.487 1.849 3.015 . 0 0 "[ . 1 ]" 1
220 1 15 ALA HA 1 16 ARG QB 4.000 . 6.000 5.321 5.109 5.430 . 0 0 "[ . 1 ]" 1
221 1 15 ALA MB 1 18 VAL H 4.000 . 6.500 4.565 4.296 4.683 . 0 0 "[ . 1 ]" 1
222 1 14 ASN H 1 15 ALA HA 4.000 . 5.000 4.979 4.763 5.133 0.133 5 0 "[ . 1 ]" 1
223 1 16 ARG H 1 16 ARG HA 2.500 . 3.000 2.848 2.797 2.876 . 0 0 "[ . 1 ]" 1
224 1 16 ARG H 1 16 ARG QB 3.000 . 4.200 2.312 2.179 2.523 . 0 0 "[ . 1 ]" 1
225 1 16 ARG H 1 16 ARG QG 4.000 . 4.700 2.762 1.883 3.972 . 0 0 "[ . 1 ]" 1
226 1 16 ARG HA 1 16 ARG QB 2.500 . 3.600 2.303 2.182 2.451 . 0 0 "[ . 1 ]" 1
227 1 16 ARG HA 1 16 ARG QG 2.500 . 3.600 2.799 2.204 3.288 . 0 0 "[ . 1 ]" 1
228 1 16 ARG H 1 17 TYR H 2.500 . 3.000 2.761 2.597 2.989 . 0 0 "[ . 1 ]" 1
229 1 16 ARG HA 1 17 TYR H 3.000 . 3.600 3.558 3.496 3.589 . 0 0 "[ . 1 ]" 1
230 1 16 ARG HA 1 18 VAL HB 4.000 . 5.000 4.938 4.750 5.038 0.038 10 0 "[ . 1 ]" 1
231 1 16 ARG HA 1 19 VAL H 3.000 . 3.600 3.561 3.453 3.633 0.033 1 0 "[ . 1 ]" 1
232 1 16 ARG QB 1 19 VAL H 4.000 . 6.000 5.050 4.887 5.188 . 0 0 "[ . 1 ]" 1
233 1 16 ARG QB 1 17 TYR H 3.000 . 4.600 2.745 2.026 3.512 . 0 0 "[ . 1 ]" 1
234 1 16 ARG QG 1 17 TYR H 4.000 . 6.000 3.081 1.962 4.178 . 0 0 "[ . 1 ]" 1
235 1 16 ARG QB 1 18 VAL H 4.000 . 6.000 4.800 4.314 5.357 . 0 0 "[ . 1 ]" 1
236 1 16 ARG H 1 16 ARG QD 4.000 . 6.000 4.048 3.175 4.568 . 0 0 "[ . 1 ]" 1
237 1 16 ARG HA 1 20 GLU QB 4.000 . 6.000 4.946 4.687 5.369 . 0 0 "[ . 1 ]" 1
238 1 17 TYR H 1 17 TYR HA 2.500 . 3.000 2.840 2.783 2.879 . 0 0 "[ . 1 ]" 1
239 1 17 TYR H 1 17 TYR HB3 3.000 . 3.600 3.209 2.725 3.591 . 0 0 "[ . 1 ]" 1
240 1 17 TYR H 1 17 TYR HB2 3.000 . 3.600 2.199 2.092 2.398 . 0 0 "[ . 1 ]" 1
241 1 17 TYR HA 1 17 TYR HB3 2.500 . 3.000 2.866 2.589 3.022 0.022 6 0 "[ . 1 ]" 1
242 1 17 TYR HA 1 17 TYR HB2 2.500 . 3.000 2.807 2.560 3.014 0.014 10 0 "[ . 1 ]" 1
243 1 17 TYR HA 1 17 TYR QD 4.000 . 7.000 2.456 2.042 2.943 . 0 0 "[ . 1 ]" 1
244 1 17 TYR HA 1 17 TYR QE 4.000 . 7.000 4.223 4.043 4.472 . 0 0 "[ . 1 ]" 1
245 1 17 TYR HB3 1 17 TYR QD 3.000 . 5.100 2.474 2.302 2.782 . 0 0 "[ . 1 ]" 1
246 1 17 TYR HB2 1 17 TYR QE 3.000 . 5.100 4.476 4.420 4.542 . 0 0 "[ . 1 ]" 1
247 1 17 TYR H 1 19 VAL H 4.000 . 5.000 4.456 4.077 4.792 . 0 0 "[ . 1 ]" 1
248 1 17 TYR H 1 20 GLU H 4.000 . 5.000 4.662 4.604 4.809 . 0 0 "[ . 1 ]" 1
249 1 17 TYR HA 1 20 GLU H 3.000 . 3.600 3.229 2.889 3.357 . 0 0 "[ . 1 ]" 1
250 1 17 TYR H 1 18 VAL H 2.500 . 3.000 2.747 2.594 2.869 . 0 0 "[ . 1 ]" 1
251 1 17 TYR HA 1 18 VAL H 3.000 . 3.600 3.557 3.517 3.574 . 0 0 "[ . 1 ]" 1
252 1 17 TYR HB3 1 18 VAL H 3.000 . 3.600 2.870 2.329 3.616 0.016 10 0 "[ . 1 ]" 1
253 1 17 TYR HB2 1 18 VAL H 3.000 . 3.600 3.254 2.850 3.623 0.023 6 0 "[ . 1 ]" 1
254 1 17 TYR QD 1 18 VAL QG 4.000 . 9.000 4.597 3.542 5.171 . 0 0 "[ . 1 ]" 1
255 1 17 TYR QD 1 20 GLU HA 4.000 . 7.000 5.982 5.159 6.556 . 0 0 "[ . 1 ]" 1
256 1 17 TYR HA 1 20 GLU HB3 4.000 . 5.000 2.645 2.125 3.214 . 0 0 "[ . 1 ]" 1
257 1 17 TYR HA 1 20 GLU HB2 4.000 . 5.000 2.502 2.053 2.995 . 0 0 "[ . 1 ]" 1
258 1 18 VAL H 1 18 VAL HA 2.500 . 3.000 2.831 2.817 2.849 . 0 0 "[ . 1 ]" 1
259 1 18 VAL H 1 18 VAL HB 2.500 . 3.000 2.519 2.407 2.653 . 0 0 "[ . 1 ]" 1
260 1 18 VAL H 1 18 VAL QG 4.000 . 6.600 2.171 1.947 2.369 . 0 0 "[ . 1 ]" 1
261 1 18 VAL HA 1 18 VAL HB 3.000 . 3.600 3.034 3.027 3.038 . 0 0 "[ . 1 ]" 1
262 1 16 ARG H 1 18 VAL H 4.000 . 5.000 4.164 3.768 4.502 . 0 0 "[ . 1 ]" 1
263 1 18 VAL H 1 19 VAL H 2.500 . 3.000 2.871 2.619 2.990 . 0 0 "[ . 1 ]" 1
264 1 18 VAL HA 1 19 VAL H 3.000 . 3.600 3.575 3.511 3.593 . 0 0 "[ . 1 ]" 1
265 1 18 VAL HA 1 21 ALA H 3.000 . 3.600 3.467 3.156 3.652 0.052 10 0 "[ . 1 ]" 1
266 1 18 VAL HA 1 21 ALA MB 4.000 . 6.500 3.101 2.569 3.370 . 0 0 "[ . 1 ]" 1
267 1 18 VAL QG 1 21 ALA H 4.000 . 7.500 4.268 4.050 4.517 . 0 0 "[ . 1 ]" 1
268 1 18 VAL HB 1 19 VAL H 3.000 . 3.900 2.346 2.116 2.776 . 0 0 "[ . 1 ]" 1
269 1 16 ARG H 1 18 VAL QG 4.000 . 7.400 4.708 4.099 5.035 . 0 0 "[ . 1 ]" 1
270 1 18 VAL QG 1 19 VAL H 4.000 . 7.400 3.009 2.738 3.257 . 0 0 "[ . 1 ]" 1
271 1 17 TYR H 1 18 VAL QG 4.000 . 7.400 4.167 3.998 4.391 . 0 0 "[ . 1 ]" 1
272 1 15 ALA H 1 18 VAL QG 4.000 . 7.400 4.329 3.700 4.724 . 0 0 "[ . 1 ]" 1
273 1 18 VAL QG 1 20 GLU H 4.000 . 7.500 4.243 4.100 4.423 . 0 0 "[ . 1 ]" 1
274 1 18 VAL QG 1 22 ILE H 4.000 . 7.000 4.150 3.847 4.374 . 0 0 "[ . 1 ]" 1
275 1 19 VAL H 1 19 VAL HA 2.500 . 3.000 2.853 2.805 2.921 . 0 0 "[ . 1 ]" 1
276 1 19 VAL H 1 19 VAL HB 2.500 . 3.000 2.542 2.405 2.681 . 0 0 "[ . 1 ]" 1
277 1 19 VAL H 1 19 VAL QG 4.000 . 6.600 2.132 1.833 2.389 . 0 0 "[ . 1 ]" 1
278 1 19 VAL H 1 20 GLU H 2.500 . 3.000 2.613 2.343 2.743 . 0 0 "[ . 1 ]" 1
279 1 19 VAL HA 1 20 GLU H 3.000 . 3.600 3.472 3.441 3.505 . 0 0 "[ . 1 ]" 1
280 1 19 VAL H 1 21 ALA H 4.000 . 5.000 4.442 4.125 4.729 . 0 0 "[ . 1 ]" 1
281 1 19 VAL HA 1 20 GLU QB 4.000 . 6.000 5.173 5.157 5.192 . 0 0 "[ . 1 ]" 1
282 1 19 VAL HB 1 20 GLU H 2.500 . 3.000 2.970 2.802 3.054 0.054 8 0 "[ . 1 ]" 1
283 1 19 VAL QG 1 20 GLU H 4.000 . 7.000 3.410 3.333 3.465 . 0 0 "[ . 1 ]" 1
284 1 19 VAL QG 1 22 ILE H 4.000 . 7.000 4.207 4.046 4.370 . 0 0 "[ . 1 ]" 1
285 1 18 VAL H 1 19 VAL QG 4.000 . 7.000 4.286 4.056 4.509 . 0 0 "[ . 1 ]" 1
286 1 19 VAL HA 1 22 ILE H 3.000 . 3.600 3.376 3.241 3.474 . 0 0 "[ . 1 ]" 1
287 1 19 VAL HA 1 22 ILE MD 4.000 . 6.000 2.933 1.781 4.667 . 0 0 "[ . 1 ]" 1
288 1 20 GLU H 1 20 GLU HA 2.500 . 3.000 2.884 2.854 2.912 . 0 0 "[ . 1 ]" 1
289 1 20 GLU H 1 20 GLU QB 2.500 . 3.000 2.223 2.076 2.299 . 0 0 "[ . 1 ]" 1
290 1 20 GLU H 1 21 ALA H 2.500 . 3.000 2.645 2.441 2.783 . 0 0 "[ . 1 ]" 1
291 1 20 GLU HA 1 21 ALA H 3.000 . 3.600 3.561 3.496 3.589 . 0 0 "[ . 1 ]" 1
292 1 20 GLU HA 1 23 ILE H 3.000 . 3.600 3.496 3.102 3.679 0.079 8 0 "[ . 1 ]" 1
293 1 20 GLU HA 1 23 ILE HB 4.000 . 6.000 3.235 2.521 4.762 . 0 0 "[ . 1 ]" 1
294 1 20 GLU QB 1 21 ALA H 3.000 . 4.600 2.517 2.287 2.893 . 0 0 "[ . 1 ]" 1
295 1 21 ALA H 1 21 ALA HA 2.500 . 3.000 2.868 2.798 2.916 . 0 0 "[ . 1 ]" 1
296 1 21 ALA H 1 21 ALA MB 3.000 . 4.200 2.147 2.060 2.264 . 0 0 "[ . 1 ]" 1
297 1 21 ALA H 1 22 ILE H 2.500 . 3.000 2.618 2.472 2.817 . 0 0 "[ . 1 ]" 1
298 1 21 ALA H 1 23 ILE H 4.000 . 5.000 4.226 3.914 4.524 . 0 0 "[ . 1 ]" 1
299 1 21 ALA HA 1 23 ILE H 4.000 . 5.000 4.475 3.924 4.903 . 0 0 "[ . 1 ]" 1
300 1 21 ALA HA 1 22 ILE H 3.000 . 3.600 3.536 3.499 3.557 . 0 0 "[ . 1 ]" 1
301 1 21 ALA HA 1 24 GLN H 3.000 . 3.600 3.517 3.022 3.653 0.053 9 0 "[ . 1 ]" 1
302 1 21 ALA HA 1 24 GLN QB 4.000 . 6.000 2.867 2.358 3.198 . 0 0 "[ . 1 ]" 1
303 1 21 ALA HA 1 24 GLN QG 4.000 . 6.000 4.509 3.889 5.000 . 0 0 "[ . 1 ]" 1
304 1 21 ALA MB 1 22 ILE H 3.000 . 5.100 2.670 2.411 2.880 . 0 0 "[ . 1 ]" 1
305 1 20 GLU H 1 21 ALA MB 4.000 . 6.500 4.274 4.165 4.374 . 0 0 "[ . 1 ]" 1
306 1 22 ILE H 1 22 ILE HA 2.500 . 3.000 2.869 2.801 2.915 . 0 0 "[ . 1 ]" 1
307 1 22 ILE H 1 22 ILE HB 2.500 . 3.000 2.475 2.196 2.687 . 0 0 "[ . 1 ]" 1
308 1 22 ILE H 1 22 ILE MG 4.000 . 5.600 3.753 3.644 3.776 . 0 0 "[ . 1 ]" 1
309 1 22 ILE H 1 22 ILE QG 4.000 . 5.600 2.345 1.874 3.534 . 0 0 "[ . 1 ]" 1
310 1 22 ILE H 1 23 ILE H 2.500 . 3.000 2.686 2.503 2.866 . 0 0 "[ . 1 ]" 1
311 1 22 ILE HA 1 23 ILE H 3.000 . 3.600 3.564 3.515 3.599 . 0 0 "[ . 1 ]" 1
312 1 22 ILE HB 1 23 ILE H 2.500 . 3.000 2.564 2.356 3.049 0.049 10 0 "[ . 1 ]" 1
313 1 23 ILE H 1 23 ILE HA 2.500 . 3.000 2.842 2.803 2.894 . 0 0 "[ . 1 ]" 1
314 1 23 ILE H 1 23 ILE HB 3.000 . 3.600 2.627 2.234 3.610 0.010 8 0 "[ . 1 ]" 1
315 1 23 ILE H 1 23 ILE MG 4.000 . 5.600 3.440 2.200 3.777 . 0 0 "[ . 1 ]" 1
316 1 23 ILE H 1 23 ILE QG 4.000 . 6.000 2.321 1.834 3.904 . 0 0 "[ . 1 ]" 1
317 1 23 ILE H 1 24 GLN H 2.500 . 3.000 2.788 2.540 3.002 0.002 4 0 "[ . 1 ]" 1
318 1 23 ILE HA 1 24 GLN H 3.000 . 3.600 3.569 3.523 3.595 . 0 0 "[ . 1 ]" 1
319 1 23 ILE HB 1 24 GLN H 3.000 . 3.600 2.763 2.243 3.607 0.007 1 0 "[ . 1 ]" 1
320 1 23 ILE MG 1 26 ASN H 4.000 . 6.500 4.603 4.280 5.303 . 0 0 "[ . 1 ]" 1
321 1 23 ILE QG 1 25 ASP H 4.000 . 6.000 5.158 4.187 5.430 . 0 0 "[ . 1 ]" 1
322 1 23 ILE HA 1 26 ASN H 3.000 . 3.600 3.639 3.589 3.659 0.059 11 0 "[ . 1 ]" 1
323 1 24 GLN H 1 24 GLN HA 2.500 . 3.000 2.883 2.843 2.961 . 0 0 "[ . 1 ]" 1
324 1 24 GLN H 1 24 GLN QB 3.000 . 4.200 2.193 2.067 2.510 . 0 0 "[ . 1 ]" 1
325 1 24 GLN H 1 24 GLN QG 3.000 . 4.200 3.239 2.211 3.755 . 0 0 "[ . 1 ]" 1
326 1 24 GLN HA 1 24 GLN QB 2.500 . 3.000 2.505 2.359 2.554 . 0 0 "[ . 1 ]" 1
327 1 24 GLN HA 1 24 GLN QG 3.000 . 4.200 2.130 1.907 2.450 . 0 0 "[ . 1 ]" 1
328 1 24 GLN H 1 25 ASP H 2.500 . 3.000 2.588 2.477 2.706 . 0 0 "[ . 1 ]" 1
329 1 24 GLN HA 1 25 ASP H 3.000 . 3.600 3.480 3.246 3.577 . 0 0 "[ . 1 ]" 1
330 1 24 GLN QB 1 25 ASP H 3.000 . 4.600 2.920 2.646 3.478 . 0 0 "[ . 1 ]" 1
331 1 24 GLN QB 1 25 ASP QB 3.000 . 5.600 4.283 4.165 4.388 . 0 0 "[ . 1 ]" 1
332 1 24 GLN QG 1 25 ASP H 4.000 . 6.000 4.459 4.105 4.816 . 0 0 "[ . 1 ]" 1
333 1 24 GLN HA 1 26 ASN H 4.000 . 5.000 3.875 3.501 4.115 . 0 0 "[ . 1 ]" 1
334 1 24 GLN HA 1 28 HIS H 4.000 . 5.000 5.068 4.911 5.126 0.126 9 0 "[ . 1 ]" 1
335 1 25 ASP H 1 25 ASP HA 2.500 . 3.000 2.830 2.779 2.995 . 0 0 "[ . 1 ]" 1
336 1 25 ASP H 1 25 ASP HB3 3.000 . 3.600 3.161 2.942 3.413 . 0 0 "[ . 1 ]" 1
337 1 25 ASP H 1 25 ASP HB2 3.000 . 3.600 2.212 2.104 2.437 . 0 0 "[ . 1 ]" 1
338 1 25 ASP HA 1 25 ASP HB3 2.500 . 3.000 2.938 2.800 3.010 0.010 2 0 "[ . 1 ]" 1
339 1 25 ASP HA 1 25 ASP HB2 2.500 . 3.000 2.759 2.630 2.912 . 0 0 "[ . 1 ]" 1
340 1 25 ASP H 1 26 ASN H 2.500 . 3.000 2.637 1.892 2.886 . 0 0 "[ . 1 ]" 1
341 1 25 ASP H 1 26 ASN HD21 4.000 . 5.000 4.037 3.569 4.808 . 0 0 "[ . 1 ]" 1
342 1 25 ASP H 1 26 ASN HD22 4.000 . 5.000 4.733 4.143 5.022 0.022 7 0 "[ . 1 ]" 1
343 1 25 ASP HA 1 26 ASN H 3.000 . 3.600 3.505 3.388 3.565 . 0 0 "[ . 1 ]" 1
344 1 25 ASP HB3 1 26 ASN H 3.000 . 3.600 2.907 2.413 3.641 0.041 10 0 "[ . 1 ]" 1
345 1 25 ASP HB2 1 26 ASN H 3.000 . 3.600 3.485 3.299 3.628 0.028 7 0 "[ . 1 ]" 1
346 1 26 ASN H 1 26 ASN HA 2.500 . 3.000 2.941 2.922 2.989 . 0 0 "[ . 1 ]" 1
347 1 26 ASN H 1 26 ASN HB3 3.000 . 3.600 3.594 3.339 3.680 0.080 12 0 "[ . 1 ]" 1
348 1 26 ASN H 1 26 ASN HB2 3.000 . 3.600 2.686 2.205 3.631 0.031 8 0 "[ . 1 ]" 1
349 1 26 ASN HA 1 28 HIS H 4.000 . 5.000 4.148 3.837 4.809 . 0 0 "[ . 1 ]" 1
350 1 26 ASN HB3 1 28 HIS H 4.000 . 6.000 3.844 3.200 5.553 . 0 0 "[ . 1 ]" 1
351 1 26 ASN HB2 1 28 HIS H 4.000 . 5.000 3.328 2.760 4.613 . 0 0 "[ . 1 ]" 1
352 1 26 ASN HA 1 29 ALA H 4.000 . 5.000 4.686 2.926 5.044 0.044 11 0 "[ . 1 ]" 1
353 1 26 ASN HA 1 29 ALA MB 4.000 . 6.500 4.845 2.810 5.334 . 0 0 "[ . 1 ]" 1
354 1 26 ASN HB3 1 29 ALA H 4.000 . 5.000 3.833 3.181 5.013 0.013 7 0 "[ . 1 ]" 1
355 1 26 ASN HB2 1 29 ALA H 4.000 . 5.000 3.062 2.453 5.125 0.125 7 0 "[ . 1 ]" 1
356 1 22 ILE HA 1 26 ASN HD21 4.000 . 5.000 4.583 2.716 5.014 0.014 6 0 "[ . 1 ]" 1
357 1 22 ILE HA 1 26 ASN HD22 4.000 . 5.000 4.323 3.075 4.896 . 0 0 "[ . 1 ]" 1
358 1 26 ASN H 1 26 ASN QD 4.000 . 6.000 2.250 1.912 2.713 . 0 0 "[ . 1 ]" 1
359 1 26 ASN QB 1 26 ASN HD21 3.000 . 4.200 2.491 2.281 2.851 . 0 0 "[ . 1 ]" 1
360 1 26 ASN HA 1 27 PRO HA 4.000 . 5.000 4.495 4.387 4.896 . 0 0 "[ . 1 ]" 1
361 1 26 ASN QB 1 29 ALA MB 4.000 . 7.500 3.039 2.404 4.819 . 0 0 "[ . 1 ]" 1
362 1 26 ASN QD 1 29 ALA MB 4.000 . 7.000 3.576 3.009 4.730 . 0 0 "[ . 1 ]" 1
363 1 27 PRO HA 1 28 HIS H 4.000 . 6.000 2.897 2.403 3.512 . 0 0 "[ . 1 ]" 1
364 1 28 HIS H 1 28 HIS HA 2.500 . 3.000 2.945 2.839 2.973 . 0 0 "[ . 1 ]" 1
365 1 28 HIS H 1 28 HIS HB3 2.500 . 3.000 3.070 2.940 3.201 0.201 8 0 "[ . 1 ]" 1
366 1 28 HIS H 1 28 HIS HB2 2.500 . 3.000 2.970 2.358 3.265 0.265 8 0 "[ . 1 ]" 1
367 1 28 HIS H 1 29 ALA H 2.500 . 3.000 2.057 1.852 2.218 . 0 0 "[ . 1 ]" 1
368 1 28 HIS HA 1 29 ALA H 3.000 . 3.600 3.566 3.539 3.582 . 0 0 "[ . 1 ]" 1
369 1 28 HIS HB3 1 29 ALA H 3.000 . 3.600 2.478 2.228 2.856 . 0 0 "[ . 1 ]" 1
370 1 28 HIS HB2 1 29 ALA H 3.000 . 3.600 3.520 3.427 3.613 0.013 10 0 "[ . 1 ]" 1
371 1 29 ALA H 1 29 ALA HA 2.500 . 3.000 2.840 2.743 2.987 . 0 0 "[ . 1 ]" 1
372 1 29 ALA H 1 29 ALA MB 3.000 . 4.200 2.226 2.135 2.364 . 0 0 "[ . 1 ]" 1
373 1 29 ALA HA 1 30 VAL H 3.000 . 3.600 2.329 2.242 2.868 . 0 0 "[ . 1 ]" 1
374 1 29 ALA MB 1 30 VAL H 3.000 . 4.600 2.815 1.997 3.001 . 0 0 "[ . 1 ]" 1
375 1 28 HIS H 1 29 ALA MB 4.000 . 6.500 3.638 3.348 4.148 . 0 0 "[ . 1 ]" 1
376 1 26 ASN H 1 29 ALA MB 4.000 . 6.500 4.143 3.845 4.570 . 0 0 "[ . 1 ]" 1
377 1 30 VAL H 1 30 VAL HA 2.500 . 3.000 2.965 2.895 2.981 . 0 0 "[ . 1 ]" 1
378 1 30 VAL H 1 30 VAL HB 2.500 . 3.000 2.757 2.393 2.959 . 0 0 "[ . 1 ]" 1
379 1 30 VAL H 1 30 VAL QG 4.000 . 6.200 2.131 1.870 2.416 . 0 0 "[ . 1 ]" 1
380 1 30 VAL HA 1 30 VAL HB 2.500 . 3.000 2.841 2.426 3.027 0.027 6 0 "[ . 1 ]" 1
381 1 30 VAL HA 1 30 VAL QG 3.000 . 4.700 2.080 1.929 2.355 . 0 0 "[ . 1 ]" 1
382 1 30 VAL H 1 31 VAL H 4.000 . 5.000 4.444 3.882 4.593 . 0 0 "[ . 1 ]" 1
383 1 30 VAL HA 1 31 VAL H 3.000 . 3.600 2.599 2.243 3.335 . 0 0 "[ . 1 ]" 1
384 1 30 VAL HB 1 31 VAL H 4.000 . 5.000 3.265 1.868 4.096 . 0 0 "[ . 1 ]" 1
385 1 30 VAL QG 1 31 VAL H 4.000 . 7.500 1.949 1.764 2.384 . 0 0 "[ . 1 ]" 1
386 1 31 VAL H 1 31 VAL HA 2.500 . 3.000 2.932 2.857 2.986 . 0 0 "[ . 1 ]" 1
387 1 31 VAL H 1 31 VAL HB 3.000 . 3.600 3.443 3.022 3.723 0.123 12 0 "[ . 1 ]" 1
388 1 31 VAL H 1 31 VAL MG1 4.000 . 6.500 3.336 2.154 4.023 . 0 0 "[ . 1 ]" 1
389 1 31 VAL H 1 31 VAL MG2 4.000 . 6.500 2.866 1.859 4.088 . 0 0 "[ . 1 ]" 1
390 1 31 VAL H 1 32 GLN H 4.000 . 5.000 4.376 4.241 4.481 . 0 0 "[ . 1 ]" 1
391 1 31 VAL HA 1 32 GLN H 3.000 . 3.600 2.477 2.244 2.919 . 0 0 "[ . 1 ]" 1
392 1 31 VAL HB 1 32 GLN H 3.000 . 3.600 3.205 1.778 3.670 0.070 10 0 "[ . 1 ]" 1
393 1 31 VAL MG1 1 32 GLN H 4.000 . 6.500 2.800 1.861 3.763 . 0 0 "[ . 1 ]" 1
394 1 31 VAL MG2 1 32 GLN H 4.000 . 6.500 3.231 1.749 4.340 . 0 0 "[ . 1 ]" 1
395 1 32 GLN H 1 32 GLN HA 2.500 . 3.000 2.935 2.867 2.988 . 0 0 "[ . 1 ]" 1
396 1 32 GLN H 1 32 GLN QB 3.000 . 4.200 2.848 2.640 3.353 . 0 0 "[ . 1 ]" 1
397 1 32 GLN H 1 32 GLN QG 4.000 . 5.600 3.615 1.892 4.334 . 0 0 "[ . 1 ]" 1
398 1 32 GLN HA 1 33 HIS H 3.000 . 3.600 2.671 2.203 3.580 . 0 0 "[ . 1 ]" 1
399 1 33 HIS H 1 33 HIS HA 2.500 . 3.000 2.886 2.346 2.994 . 0 0 "[ . 1 ]" 1
400 1 33 HIS H 1 33 HIS HB3 3.000 . 3.600 3.158 2.407 3.637 0.037 4 0 "[ . 1 ]" 1
401 1 33 HIS H 1 33 HIS HB2 3.000 . 3.600 3.122 2.230 3.694 0.094 10 0 "[ . 1 ]" 1
402 1 33 HIS HA 1 34 HIS H 4.000 . 5.000 2.547 2.201 3.497 . 0 0 "[ . 1 ]" 1
403 1 33 HIS QB 1 34 HIS QB 4.000 . 7.000 4.565 3.389 5.172 . 0 0 "[ . 1 ]" 1
404 1 34 HIS H 1 34 HIS HA 2.500 . 3.000 2.942 2.890 2.994 . 0 0 "[ . 1 ]" 1
405 1 34 HIS H 1 34 HIS HB3 3.000 . 3.600 3.512 3.078 3.671 0.071 8 0 "[ . 1 ]" 1
406 1 34 HIS H 1 34 HIS HB2 3.000 . 3.600 2.766 2.295 3.539 . 0 0 "[ . 1 ]" 1
407 1 34 HIS HA 1 34 HIS HB3 2.500 . 3.000 2.818 2.681 3.025 0.025 6 0 "[ . 1 ]" 1
408 1 34 HIS HA 1 34 HIS HB2 2.500 . 3.000 2.866 2.436 2.985 . 0 0 "[ . 1 ]" 1
409 1 35 PRO HA 1 36 ALA H 4.000 . 5.000 3.117 2.597 3.586 . 0 0 "[ . 1 ]" 1
410 1 36 ALA H 1 36 ALA HA 2.500 . 3.000 2.880 2.757 2.994 . 0 0 "[ . 1 ]" 1
411 1 36 ALA H 1 36 ALA MB 2.500 . 3.600 2.449 2.091 2.973 . 0 0 "[ . 1 ]" 1
412 1 36 ALA HA 1 37 MET H 3.000 . 3.600 3.472 3.269 3.583 . 0 0 "[ . 1 ]" 1
413 1 36 ALA MB 1 37 MET H 3.000 . 5.100 2.716 1.874 3.328 . 0 0 "[ . 1 ]" 1
414 1 37 MET H 1 37 MET HA 2.500 . 3.000 2.940 2.867 2.995 . 0 0 "[ . 1 ]" 1
415 1 37 MET HA 1 38 ILE H 2.500 . 3.000 2.446 2.237 2.753 . 0 0 "[ . 1 ]" 1
416 1 37 MET QB 1 38 ILE H 3.000 . 4.600 2.568 1.887 3.097 . 0 0 "[ . 1 ]" 1
417 1 10 GLN QB 1 37 MET HA 4.000 . 6.000 3.422 2.662 3.940 . 0 0 "[ . 1 ]" 1
418 1 34 HIS H 1 37 MET H 4.000 . 5.000 4.775 4.251 5.037 0.037 12 0 "[ . 1 ]" 1
419 1 38 ILE H 1 38 ILE HA 2.500 . 3.000 2.982 2.938 3.000 . 0 0 "[ . 1 ]" 1
420 1 38 ILE H 1 38 ILE QG 4.000 . 5.600 2.508 1.972 4.197 . 0 0 "[ . 1 ]" 1
421 1 38 ILE HA 1 39 ARG H 3.000 . 3.600 2.290 2.182 2.463 . 0 0 "[ . 1 ]" 1
422 1 38 ILE QG 1 39 ARG H 4.000 . 6.000 3.889 1.772 4.804 . 0 0 "[ . 1 ]" 1
423 1 34 HIS H 1 38 ILE HA 4.000 . 5.000 4.013 2.061 5.023 0.023 6 0 "[ . 1 ]" 1
424 1 9 PHE H 1 38 ILE QG 4.000 . 6.000 3.201 1.815 5.232 . 0 0 "[ . 1 ]" 1
425 1 9 PHE H 1 38 ILE HB 4.000 . 5.000 4.473 2.673 5.071 0.071 8 0 "[ . 1 ]" 1
426 1 39 ARG H 1 39 ARG HA 2.500 . 3.000 2.945 2.788 2.990 . 0 0 "[ . 1 ]" 1
427 1 39 ARG HA 1 40 ILE H 2.500 . 3.000 2.477 2.225 3.014 0.014 4 0 "[ . 1 ]" 1
428 1 8 ALA MB 1 39 ARG HA 4.000 . 6.500 2.082 1.742 4.758 . 0 0 "[ . 1 ]" 1
429 1 32 GLN H 1 39 ARG H 4.000 . 5.000 4.465 3.264 5.020 0.020 12 0 "[ . 1 ]" 1
430 1 40 ILE H 1 40 ILE HA 2.500 . 3.000 2.936 2.910 2.960 . 0 0 "[ . 1 ]" 1
431 1 40 ILE H 1 40 ILE HB 2.500 . 3.000 2.962 2.846 3.148 0.148 4 0 "[ . 1 ]" 1
432 1 40 ILE HA 1 41 GLU H 2.500 . 3.000 2.497 2.343 2.713 . 0 0 "[ . 1 ]" 1
433 1 40 ILE H 1 41 GLU H 4.000 . 5.000 4.400 4.349 4.452 . 0 0 "[ . 1 ]" 1
434 1 6 TYR QD 1 40 ILE HA 4.000 . 7.400 5.264 4.383 6.028 . 0 0 "[ . 1 ]" 1
435 1 6 TYR QE 1 40 ILE HA 4.000 . 7.400 5.589 4.493 6.255 . 0 0 "[ . 1 ]" 1
436 1 6 TYR QD 1 40 ILE H 4.000 . 7.400 3.966 2.558 5.206 . 0 0 "[ . 1 ]" 1
437 1 32 GLN H 1 40 ILE HA 4.000 . 5.000 4.214 3.271 5.051 0.051 12 0 "[ . 1 ]" 1
438 1 7 ILE H 1 40 ILE HB 4.000 . 5.000 3.767 2.130 5.063 0.063 4 0 "[ . 1 ]" 1
439 1 7 ILE H 1 40 ILE MG 4.000 . 6.500 4.250 3.170 5.450 . 0 0 "[ . 1 ]" 1
440 1 41 GLU H 1 41 GLU HA 2.500 . 3.000 2.939 2.816 3.000 . 0 0 "[ . 1 ]" 1
441 1 41 GLU H 1 41 GLU HB3 3.000 . 3.600 3.420 2.869 3.691 0.091 2 0 "[ . 1 ]" 1
442 1 41 GLU H 1 41 GLU HB2 3.000 . 3.600 3.282 2.735 3.798 0.198 2 0 "[ . 1 ]" 1
443 1 41 GLU HA 1 41 GLU QB 2.500 . 3.600 2.382 2.170 2.550 . 0 0 "[ . 1 ]" 1
444 1 41 GLU HA 1 41 GLU QG 3.000 . 4.200 2.502 1.886 3.249 . 0 0 "[ . 1 ]" 1
445 1 41 GLU HA 1 42 ALA H 2.500 . 3.000 2.412 2.238 2.701 . 0 0 "[ . 1 ]" 1
446 1 41 GLU HA 1 42 ALA MB 3.000 . 5.100 3.845 3.711 3.927 . 0 0 "[ . 1 ]" 1
447 1 31 VAL HA 1 41 GLU H 4.000 . 5.000 4.591 2.985 5.081 0.081 7 0 "[ . 1 ]" 1
448 1 30 VAL H 1 41 GLU H 4.000 . 5.000 4.396 3.165 5.015 0.015 3 0 "[ . 1 ]" 1
449 1 42 ALA H 1 42 ALA HA 2.500 . 3.000 2.977 2.928 2.996 . 0 0 "[ . 1 ]" 1
450 1 42 ALA H 1 42 ALA MB 3.000 . 4.200 2.582 2.458 2.726 . 0 0 "[ . 1 ]" 1
451 1 42 ALA HA 1 43 GLU H 2.500 . 3.000 2.739 2.609 3.017 0.017 11 0 "[ . 1 ]" 1
452 1 42 ALA MB 1 43 GLU H 3.000 . 5.100 2.101 1.872 2.306 . 0 0 "[ . 1 ]" 1
453 1 42 ALA MB 1 44 LYS H 4.000 . 6.500 3.375 2.528 4.163 . 0 0 "[ . 1 ]" 1
454 1 30 VAL H 1 42 ALA HA 4.000 . 5.000 4.707 4.080 5.055 0.055 11 0 "[ . 1 ]" 1
455 1 43 GLU H 1 43 GLU HA 2.500 . 3.000 2.959 2.908 2.983 . 0 0 "[ . 1 ]" 1
456 1 43 GLU H 1 43 GLU QB 3.000 . 4.200 2.934 2.513 3.336 . 0 0 "[ . 1 ]" 1
457 1 43 GLU H 1 43 GLU QG 3.000 . 4.200 2.781 1.849 3.557 . 0 0 "[ . 1 ]" 1
458 1 43 GLU HA 1 43 GLU QB 2.500 . 3.600 2.312 2.177 2.497 . 0 0 "[ . 1 ]" 1
459 1 43 GLU HA 1 43 GLU QG 3.000 . 4.200 2.701 2.076 3.355 . 0 0 "[ . 1 ]" 1
460 1 43 GLU HA 1 44 LYS H 2.500 . 3.000 2.572 2.305 3.039 0.039 11 0 "[ . 1 ]" 1
461 1 43 GLU QB 1 44 LYS H 4.000 . 6.000 3.871 3.698 3.984 . 0 0 "[ . 1 ]" 1
462 1 43 GLU QB 1 44 LYS HA 4.000 . 6.000 4.550 4.155 5.211 . 0 0 "[ . 1 ]" 1
463 1 43 GLU QG 1 44 LYS H 4.000 . 6.000 4.406 4.142 4.630 . 0 0 "[ . 1 ]" 1
464 1 44 LYS H 1 44 LYS HA 2.500 . 3.000 2.796 2.334 2.988 . 0 0 "[ . 1 ]" 1
465 1 44 LYS H 1 44 LYS QB 3.000 . 4.200 2.958 2.709 3.159 . 0 0 "[ . 1 ]" 1
466 1 44 LYS H 1 44 LYS QG 4.000 . 5.600 3.875 2.300 4.511 . 0 0 "[ . 1 ]" 1
467 1 44 LYS HA 1 44 LYS QB 2.500 . 3.600 2.434 2.174 2.544 . 0 0 "[ . 1 ]" 1
468 1 44 LYS HA 1 44 LYS QG 3.000 . 4.200 2.389 1.962 3.221 . 0 0 "[ . 1 ]" 1
469 1 44 LYS HA 1 45 ARG H 2.500 . 3.000 2.943 2.591 3.438 0.438 11 0 "[ . 1 ]" 1
470 1 44 LYS H 1 45 ARG H 4.000 . 5.000 4.194 3.167 4.487 . 0 0 "[ . 1 ]" 1
471 1 44 LYS QB 1 45 ARG H 2.500 . 3.000 1.984 1.781 2.531 0.019 8 0 "[ . 1 ]" 1
472 1 44 LYS QG 1 45 ARG H 4.000 . 5.100 2.787 1.962 4.038 . 0 0 "[ . 1 ]" 1
473 1 44 LYS HA 1 88 TRP H 4.000 . 5.000 4.604 2.846 5.111 0.111 4 0 "[ . 1 ]" 1
474 1 44 LYS QB 1 88 TRP QB 4.000 . 7.000 3.231 1.607 5.608 . 0 0 "[ . 1 ]" 1
475 1 45 ARG H 1 45 ARG HA 2.500 . 3.000 2.944 2.777 2.992 . 0 0 "[ . 1 ]" 1
476 1 45 ARG H 1 45 ARG QB 3.000 . 4.200 2.884 2.474 3.296 . 0 0 "[ . 1 ]" 1
477 1 45 ARG H 1 45 ARG QG 3.000 . 4.600 2.870 2.058 4.141 . 0 0 "[ . 1 ]" 1
478 1 45 ARG H 1 45 ARG QD 4.000 . 6.000 3.852 2.464 4.911 . 0 0 "[ . 1 ]" 1
479 1 45 ARG HA 1 45 ARG QB 2.500 . 3.600 2.317 2.189 2.522 . 0 0 "[ . 1 ]" 1
480 1 45 ARG HA 1 45 ARG QG 2.500 . 3.600 2.715 2.114 3.288 . 0 0 "[ . 1 ]" 1
481 1 45 ARG H 1 46 LEU HG 4.000 . 6.000 4.984 3.833 5.996 . 0 0 "[ . 1 ]" 1
482 1 45 ARG HA 1 46 LEU H 2.500 . 3.000 2.523 2.159 2.934 . 0 0 "[ . 1 ]" 1
483 1 45 ARG H 1 46 LEU H 4.000 . 5.000 4.374 4.160 4.499 . 0 0 "[ . 1 ]" 1
484 1 45 ARG QB 1 46 LEU H 3.000 . 4.600 2.475 1.898 3.480 . 0 0 "[ . 1 ]" 1
485 1 45 ARG HA 1 87 GLU HA 3.000 . 3.600 2.185 1.739 3.573 0.061 10 0 "[ . 1 ]" 1
486 1 45 ARG HA 1 87 GLU QG 4.000 . 6.000 3.013 1.780 5.432 . 0 0 "[ . 1 ]" 1
487 1 45 ARG HA 1 88 TRP QB 4.000 . 6.000 4.161 3.229 5.275 . 0 0 "[ . 1 ]" 1
488 1 45 ARG QB 1 88 TRP QB 4.000 . 7.000 4.808 3.376 5.544 . 0 0 "[ . 1 ]" 1
489 1 45 ARG QG 1 88 TRP QB 4.000 . 7.000 4.020 3.237 5.428 . 0 0 "[ . 1 ]" 1
490 1 45 ARG QG 1 88 TRP HA 4.000 . 6.000 5.266 4.228 5.601 . 0 0 "[ . 1 ]" 1
491 1 46 LEU H 1 46 LEU HA 2.500 . 3.000 2.932 2.723 2.991 . 0 0 "[ . 1 ]" 1
492 1 46 LEU H 1 46 LEU QB 3.000 . 4.200 2.907 2.484 3.144 . 0 0 "[ . 1 ]" 1
493 1 46 LEU H 1 46 LEU QD 4.000 . 6.000 3.423 2.573 4.029 . 0 0 "[ . 1 ]" 1
494 1 46 LEU HA 1 46 LEU QB 2.500 . 3.600 2.386 2.189 2.537 . 0 0 "[ . 1 ]" 1
495 1 46 LEU HA 1 46 LEU QD 3.000 . 4.200 2.046 1.684 2.558 . 0 0 "[ . 1 ]" 1
496 1 46 LEU HA 1 47 GLU H 2.500 . 3.000 2.407 2.192 2.921 . 0 0 "[ . 1 ]" 1
497 1 46 LEU H 1 47 GLU H 4.000 . 5.000 4.386 4.282 4.504 . 0 0 "[ . 1 ]" 1
498 1 46 LEU QB 1 47 GLU H 3.000 . 4.600 2.768 1.754 3.291 . 0 0 "[ . 1 ]" 1
499 1 46 LEU QD 1 47 GLU H 4.000 . 6.500 2.845 1.712 4.170 . 0 0 "[ . 1 ]" 1
500 1 46 LEU HA 1 87 GLU QG 4.000 . 6.000 4.852 2.176 5.674 . 0 0 "[ . 1 ]" 1
501 1 46 LEU QB 1 87 GLU H 4.000 . 6.000 4.083 2.628 5.333 . 0 0 "[ . 1 ]" 1
502 1 46 LEU MD1 1 87 GLU H 4.000 . 6.500 4.540 3.557 5.484 . 0 0 "[ . 1 ]" 1
503 1 46 LEU MD2 1 87 GLU H 4.000 . 6.500 5.281 3.562 5.646 . 0 0 "[ . 1 ]" 1
504 1 46 LEU HG 1 87 GLU H 4.000 . 5.000 4.547 4.209 5.011 0.011 4 0 "[ . 1 ]" 1
505 1 46 LEU MD1 1 88 TRP H 4.000 . 6.500 5.092 4.036 5.502 . 0 0 "[ . 1 ]" 1
506 1 46 LEU MD2 1 88 TRP H 4.000 . 6.500 4.640 3.042 5.534 . 0 0 "[ . 1 ]" 1
507 1 46 LEU HA 1 86 LEU QD 4.000 . 7.900 4.537 3.622 6.161 . 0 0 "[ . 1 ]" 1
508 1 46 LEU QB 1 86 LEU HA 4.000 . 6.000 4.545 3.847 5.577 . 0 0 "[ . 1 ]" 1
509 1 46 LEU QD 1 86 LEU HA 4.000 . 7.900 4.889 3.664 5.501 . 0 0 "[ . 1 ]" 1
510 1 46 LEU H 1 86 LEU H 4.000 . 5.000 3.799 2.110 4.446 . 0 0 "[ . 1 ]" 1
511 1 47 GLU H 1 47 GLU HA 2.500 . 3.000 2.922 2.726 2.978 . 0 0 "[ . 1 ]" 1
512 1 47 GLU H 1 47 GLU QB 3.000 . 4.200 2.988 2.632 3.446 . 0 0 "[ . 1 ]" 1
513 1 47 GLU H 1 47 GLU QG 4.000 . 5.600 3.341 1.991 4.211 . 0 0 "[ . 1 ]" 1
514 1 47 GLU HA 1 47 GLU QB 2.500 . 3.600 2.343 2.180 2.549 . 0 0 "[ . 1 ]" 1
515 1 47 GLU HA 1 47 GLU QG 3.000 . 4.200 2.664 1.921 3.399 . 0 0 "[ . 1 ]" 1
516 1 47 GLU HA 1 48 ILE H 2.500 . 3.000 2.315 2.233 2.790 . 0 0 "[ . 1 ]" 1
517 1 47 GLU H 1 48 ILE H 4.000 . 5.000 4.318 4.177 4.443 . 0 0 "[ . 1 ]" 1
518 1 47 GLU HA 1 86 LEU H 3.000 . 3.600 3.164 2.608 3.838 0.238 12 0 "[ . 1 ]" 1
519 1 47 GLU QB 1 48 ILE H 3.000 . 4.600 3.108 2.017 3.671 . 0 0 "[ . 1 ]" 1
520 1 47 GLU QG 1 48 ILE H 4.000 . 6.000 3.164 2.077 4.353 . 0 0 "[ . 1 ]" 1
521 1 47 GLU HA 1 85 VAL HB 4.000 . 5.000 3.651 3.081 4.777 . 0 0 "[ . 1 ]" 1
522 1 47 GLU HA 1 85 VAL QG 4.000 . 7.400 2.092 1.628 3.652 . 0 0 "[ . 1 ]" 1
523 1 48 ILE H 1 48 ILE HA 2.500 . 3.000 2.946 2.846 2.983 . 0 0 "[ . 1 ]" 1
524 1 48 ILE H 1 48 ILE HB 3.000 . 3.600 3.299 2.889 3.708 0.108 5 0 "[ . 1 ]" 1
525 1 48 ILE H 1 48 ILE MG 4.000 . 6.000 3.828 2.907 4.021 . 0 0 "[ . 1 ]" 1
526 1 48 ILE HA 1 49 ARG H 3.000 . 3.600 2.427 2.237 2.982 . 0 0 "[ . 1 ]" 1
527 1 48 ILE HB 1 49 ARG H 3.000 . 3.600 3.239 1.975 3.679 0.079 8 0 "[ . 1 ]" 1
528 1 48 ILE MG 1 49 ARG H 4.000 . 6.500 2.325 1.847 3.313 . 0 0 "[ . 1 ]" 1
529 1 48 ILE QG 1 49 ARG H 4.000 . 6.000 4.105 1.848 4.642 . 0 0 "[ . 1 ]" 1
530 1 48 ILE MD 1 49 ARG H 4.000 . 6.500 4.590 3.563 5.001 . 0 0 "[ . 1 ]" 1
531 1 48 ILE H 1 84 PHE H 4.000 . 5.000 3.702 2.107 4.193 . 0 0 "[ . 1 ]" 1
532 1 48 ILE HB 1 84 PHE H 4.000 . 5.000 4.300 3.525 4.977 . 0 0 "[ . 1 ]" 1
533 1 48 ILE MG 1 84 PHE H 4.000 . 6.500 5.086 4.140 5.563 . 0 0 "[ . 1 ]" 1
534 1 48 ILE MD 1 84 PHE H 4.000 . 6.500 4.706 3.374 5.249 . 0 0 "[ . 1 ]" 1
535 1 49 ARG H 1 49 ARG HA 2.500 . 3.000 2.953 2.802 2.978 . 0 0 "[ . 1 ]" 1
536 1 49 ARG H 1 49 ARG QB 3.000 . 4.200 2.613 2.146 3.040 . 0 0 "[ . 1 ]" 1
537 1 49 ARG H 1 49 ARG QG 4.000 . 5.600 2.614 1.780 4.032 . 0 0 "[ . 1 ]" 1
538 1 49 ARG HA 1 50 ARG H 3.000 . 3.600 2.987 2.310 3.539 . 0 0 "[ . 1 ]" 1
539 1 49 ARG QG 1 50 ARG H 3.000 . 4.600 3.268 1.838 4.143 . 0 0 "[ . 1 ]" 1
540 1 49 ARG HA 1 84 PHE H 3.000 . 3.600 3.224 2.834 3.609 0.009 10 0 "[ . 1 ]" 1
541 1 49 ARG HA 1 52 THR H 4.000 . 5.000 4.835 3.574 5.063 0.063 4 0 "[ . 1 ]" 1
542 1 49 ARG QB 1 52 THR H 4.000 . 6.000 4.146 2.780 5.382 . 0 0 "[ . 1 ]" 1
543 1 49 ARG QG 1 52 THR H 4.000 . 6.000 4.664 2.376 5.380 . 0 0 "[ . 1 ]" 1
544 1 49 ARG HA 1 83 ARG HB3 4.000 . 5.000 3.619 2.145 4.990 . 0 0 "[ . 1 ]" 1
545 1 49 ARG HA 1 83 ARG HB2 4.000 . 5.000 4.292 1.863 5.036 0.036 8 0 "[ . 1 ]" 1
546 1 50 ARG H 1 50 ARG HA 2.500 . 3.000 2.891 2.817 2.953 . 0 0 "[ . 1 ]" 1
547 1 50 ARG H 1 50 ARG QB 3.000 . 4.300 2.284 2.077 2.565 . 0 0 "[ . 1 ]" 1
548 1 50 ARG H 1 51 GLU H 3.000 . 3.600 2.590 2.385 2.800 . 0 0 "[ . 1 ]" 1
549 1 50 ARG HA 1 51 GLU H 3.000 . 3.600 3.472 3.336 3.586 . 0 0 "[ . 1 ]" 1
550 1 50 ARG QB 1 51 GLU H 3.000 . 4.600 3.004 2.233 3.736 . 0 0 "[ . 1 ]" 1
551 1 50 ARG QG 1 51 GLU H 4.000 . 6.000 3.856 2.134 4.892 . 0 0 "[ . 1 ]" 1
552 1 50 ARG QB 1 52 THR H 4.000 . 6.000 4.618 4.317 5.040 . 0 0 "[ . 1 ]" 1
553 1 50 ARG H 1 52 THR H 4.000 . 5.000 4.272 3.777 4.580 . 0 0 "[ . 1 ]" 1
554 1 50 ARG QG 1 53 VAL H 4.000 . 6.000 4.461 3.454 5.234 . 0 0 "[ . 1 ]" 1
555 1 51 GLU H 1 51 GLU HA 2.500 . 3.000 2.821 2.794 2.893 . 0 0 "[ . 1 ]" 1
556 1 51 GLU H 1 51 GLU HB3 3.000 . 3.600 2.965 2.491 3.615 0.015 12 0 "[ . 1 ]" 1
557 1 51 GLU H 1 51 GLU HB2 3.000 . 3.600 2.699 2.297 3.624 0.024 4 0 "[ . 1 ]" 1
558 1 51 GLU HA 1 51 GLU HB3 2.500 . 3.000 2.747 2.413 3.030 0.030 7 0 "[ . 1 ]" 1
559 1 51 GLU HA 1 51 GLU HB2 2.500 . 3.000 2.674 2.443 3.031 0.031 12 0 "[ . 1 ]" 1
560 1 51 GLU H 1 52 THR H 2.500 . 3.000 2.757 2.540 2.859 . 0 0 "[ . 1 ]" 1
561 1 51 GLU HA 1 52 THR H 3.000 . 3.600 3.498 3.389 3.572 . 0 0 "[ . 1 ]" 1
562 1 51 GLU QB 1 52 THR H 3.000 . 4.600 2.947 2.487 3.600 . 0 0 "[ . 1 ]" 1
563 1 51 GLU QG 1 52 THR H 3.000 . 4.600 3.656 1.861 4.193 . 0 0 "[ . 1 ]" 1
564 1 51 GLU QB 1 52 THR MG 4.000 . 7.500 4.999 4.684 5.319 . 0 0 "[ . 1 ]" 1
565 1 51 GLU QB 1 53 VAL H 4.000 . 6.000 4.991 4.769 5.394 . 0 0 "[ . 1 ]" 1
566 1 51 GLU H 1 53 VAL H 4.000 . 5.000 4.512 4.328 4.716 . 0 0 "[ . 1 ]" 1
567 1 51 GLU HA 1 54 GLU H 3.000 . 3.600 3.455 3.273 3.616 0.016 8 0 "[ . 1 ]" 1
568 1 51 GLU QB 1 54 GLU H 4.000 . 6.000 4.730 4.340 4.946 . 0 0 "[ . 1 ]" 1
569 1 51 GLU HA 1 54 GLU HB3 4.000 . 5.000 3.135 2.528 4.301 . 0 0 "[ . 1 ]" 1
570 1 51 GLU HA 1 54 GLU HB2 4.000 . 5.000 3.676 3.024 4.045 . 0 0 "[ . 1 ]" 1
571 1 52 THR H 1 52 THR HA 2.500 . 3.000 2.867 2.839 2.893 . 0 0 "[ . 1 ]" 1
572 1 52 THR H 1 52 THR HB 2.500 . 3.000 2.938 2.784 3.057 0.057 8 0 "[ . 1 ]" 1
573 1 52 THR H 1 52 THR MG 4.000 . 6.000 3.664 3.573 3.746 . 0 0 "[ . 1 ]" 1
574 1 52 THR HA 1 52 THR HB 3.000 . 3.600 2.982 2.939 3.015 . 0 0 "[ . 1 ]" 1
575 1 52 THR H 1 53 VAL H 2.500 . 3.000 2.707 2.653 2.775 . 0 0 "[ . 1 ]" 1
576 1 52 THR HA 1 53 VAL H 3.000 . 3.600 3.571 3.555 3.589 . 0 0 "[ . 1 ]" 1
577 1 52 THR HB 1 53 VAL H 3.000 . 3.600 2.551 2.384 2.702 . 0 0 "[ . 1 ]" 1
578 1 52 THR MG 1 53 VAL H 4.000 . 6.500 3.892 3.745 4.016 . 0 0 "[ . 1 ]" 1
579 1 52 THR HA 1 55 GLU H 3.000 . 3.600 2.905 2.776 3.078 . 0 0 "[ . 1 ]" 1
580 1 52 THR HB 1 55 GLU H 4.000 . 5.000 5.032 4.944 5.072 0.072 6 0 "[ . 1 ]" 1
581 1 52 THR H 1 54 GLU H 4.000 . 5.000 3.937 3.728 4.120 . 0 0 "[ . 1 ]" 1
582 1 52 THR HA 1 54 GLU H 3.000 . 3.700 3.756 3.703 3.841 0.141 2 0 "[ . 1 ]" 1
583 1 52 THR HA 1 54 GLU QG 4.000 . 6.000 5.330 5.179 5.414 . 0 0 "[ . 1 ]" 1
584 1 53 VAL H 1 53 VAL HA 2.500 . 3.000 2.806 2.788 2.832 . 0 0 "[ . 1 ]" 1
585 1 53 VAL H 1 53 VAL HB 2.500 . 3.000 2.579 2.370 2.763 . 0 0 "[ . 1 ]" 1
586 1 53 VAL H 1 53 VAL MG1 4.000 . 5.600 3.771 3.747 3.783 . 0 0 "[ . 1 ]" 1
587 1 53 VAL H 1 53 VAL MG2 4.000 . 5.600 2.181 1.852 2.427 . 0 0 "[ . 1 ]" 1
588 1 53 VAL HA 1 53 VAL HB 3.000 . 3.600 3.036 3.025 3.039 . 0 0 "[ . 1 ]" 1
589 1 53 VAL HA 1 53 VAL MG1 3.000 . 4.200 2.378 2.246 2.496 . 0 0 "[ . 1 ]" 1
590 1 53 VAL HA 1 53 VAL MG2 3.000 . 4.200 2.292 2.199 2.455 . 0 0 "[ . 1 ]" 1
591 1 53 VAL H 1 54 GLU H 2.500 . 3.000 2.727 2.654 2.778 . 0 0 "[ . 1 ]" 1
592 1 53 VAL HA 1 54 GLU H 3.000 . 3.600 3.493 3.447 3.517 . 0 0 "[ . 1 ]" 1
593 1 53 VAL MG1 1 54 GLU H 4.000 . 6.500 3.661 3.418 3.865 . 0 0 "[ . 1 ]" 1
594 1 53 VAL MG2 1 54 GLU H 4.000 . 6.500 3.927 3.732 4.142 . 0 0 "[ . 1 ]" 1
595 1 53 VAL HB 1 54 GLU H 3.000 . 3.600 2.870 2.723 3.101 . 0 0 "[ . 1 ]" 1
596 1 53 VAL H 1 55 GLU H 4.000 . 5.000 4.281 4.152 4.357 . 0 0 "[ . 1 ]" 1
597 1 52 THR H 1 53 VAL HB 4.000 . 5.000 4.844 4.667 5.008 0.008 5 0 "[ . 1 ]" 1
598 1 52 THR H 1 53 VAL QG 4.000 . 7.500 4.114 3.782 4.449 . 0 0 "[ . 1 ]" 1
599 1 53 VAL HA 1 56 ASN H 3.000 . 3.600 3.605 3.448 3.671 0.071 5 0 "[ . 1 ]" 1
600 1 53 VAL HA 1 56 ASN QB 4.000 . 6.000 2.935 2.810 3.094 . 0 0 "[ . 1 ]" 1
601 1 54 GLU H 1 54 GLU HA 2.500 . 3.000 2.900 2.874 2.911 . 0 0 "[ . 1 ]" 1
602 1 54 GLU H 1 54 GLU HB3 2.500 . 3.000 2.384 2.206 3.497 0.497 9 0 "[ . 1 ]" 1
603 1 54 GLU H 1 54 GLU HB2 2.500 . 3.000 2.866 2.374 3.023 0.023 1 0 "[ . 1 ]" 1
604 1 54 GLU H 1 54 GLU QG 4.000 . 4.700 3.729 2.255 3.909 . 0 0 "[ . 1 ]" 1
605 1 54 GLU HA 1 54 GLU HB3 3.000 . 3.600 2.971 2.451 3.028 . 0 0 "[ . 1 ]" 1
606 1 54 GLU HA 1 54 GLU HB2 3.000 . 3.600 2.420 2.326 3.027 . 0 0 "[ . 1 ]" 1
607 1 54 GLU HA 1 54 GLU QG 3.000 . 4.200 2.610 2.281 3.066 . 0 0 "[ . 1 ]" 1
608 1 54 GLU H 1 55 GLU H 2.500 . 3.000 2.521 2.461 2.579 . 0 0 "[ . 1 ]" 1
609 1 54 GLU HA 1 55 GLU H 3.000 . 3.600 3.560 3.540 3.571 . 0 0 "[ . 1 ]" 1
610 1 54 GLU QB 1 55 GLU H 3.000 . 4.600 2.608 2.499 2.802 . 0 0 "[ . 1 ]" 1
611 1 54 GLU QG 1 55 GLU H 4.000 . 6.000 3.238 3.077 3.928 . 0 0 "[ . 1 ]" 1
612 1 54 GLU H 1 56 ASN H 4.000 . 5.000 4.259 4.096 4.533 . 0 0 "[ . 1 ]" 1
613 1 54 GLU HA 1 57 LEU H 3.000 . 3.600 3.325 3.085 3.598 . 0 0 "[ . 1 ]" 1
614 1 54 GLU HA 1 57 LEU QB 4.000 . 6.000 2.518 2.349 2.837 . 0 0 "[ . 1 ]" 1
615 1 54 GLU HA 1 57 LEU QD 4.000 . 6.000 3.290 3.033 4.162 . 0 0 "[ . 1 ]" 1
616 1 54 GLU QB 1 57 LEU H 4.000 . 6.000 4.865 4.741 5.004 . 0 0 "[ . 1 ]" 1
617 1 55 GLU H 1 55 GLU HA 2.500 . 3.000 2.835 2.794 2.889 . 0 0 "[ . 1 ]" 1
618 1 55 GLU H 1 55 GLU HB3 3.000 . 3.600 3.090 2.478 3.621 0.021 7 0 "[ . 1 ]" 1
619 1 55 GLU H 1 55 GLU HB2 3.000 . 3.600 2.505 2.210 2.671 . 0 0 "[ . 1 ]" 1
620 1 55 GLU H 1 56 ASN H 2.500 . 3.000 2.882 2.703 3.045 0.045 2 0 "[ . 1 ]" 1
621 1 55 GLU HA 1 56 ASN H 3.000 . 3.600 3.583 3.570 3.601 0.001 5 0 "[ . 1 ]" 1
622 1 55 GLU QB 1 56 ASN H 3.000 . 4.600 2.323 2.146 2.510 . 0 0 "[ . 1 ]" 1
623 1 55 GLU QG 1 56 ASN H 3.000 . 4.600 3.747 2.936 4.174 . 0 0 "[ . 1 ]" 1
624 1 55 GLU H 1 57 LEU H 4.000 . 5.000 4.016 3.787 4.201 . 0 0 "[ . 1 ]" 1
625 1 55 GLU QB 1 57 LEU H 4.000 . 6.000 4.481 4.298 4.723 . 0 0 "[ . 1 ]" 1
626 1 55 GLU HA 1 58 GLY H 3.000 . 3.600 3.582 3.260 3.646 0.046 3 0 "[ . 1 ]" 1
627 1 55 GLU HA 1 59 ARG H 4.000 . 5.000 4.605 4.350 4.928 . 0 0 "[ . 1 ]" 1
628 1 56 ASN H 1 56 ASN HA 2.500 . 3.000 2.827 2.794 2.854 . 0 0 "[ . 1 ]" 1
629 1 56 ASN H 1 56 ASN HB3 3.000 . 3.600 3.156 2.894 3.352 . 0 0 "[ . 1 ]" 1
630 1 56 ASN H 1 56 ASN HB2 3.000 . 3.600 2.140 2.084 2.293 . 0 0 "[ . 1 ]" 1
631 1 56 ASN HA 1 56 ASN HB2 2.500 . 3.000 2.770 2.628 2.879 . 0 0 "[ . 1 ]" 1
632 1 56 ASN HA 1 56 ASN HB3 2.500 . 3.000 2.931 2.838 3.009 0.009 3 0 "[ . 1 ]" 1
633 1 56 ASN HA 1 56 ASN HD21 3.000 . 3.600 2.438 1.898 2.969 . 0 0 "[ . 1 ]" 1
634 1 56 ASN HA 1 56 ASN HD22 3.000 . 3.600 3.402 3.216 3.632 0.032 3 0 "[ . 1 ]" 1
635 1 56 ASN H 1 57 LEU H 2.500 . 3.000 2.768 2.663 2.931 . 0 0 "[ . 1 ]" 1
636 1 56 ASN HA 1 57 LEU H 3.000 . 3.600 3.546 3.507 3.578 . 0 0 "[ . 1 ]" 1
637 1 56 ASN HB3 1 57 LEU H 3.000 . 3.600 2.881 2.511 3.102 . 0 0 "[ . 1 ]" 1
638 1 56 ASN HB2 1 57 LEU H 3.000 . 3.600 3.450 3.219 3.605 0.005 8 0 "[ . 1 ]" 1
639 1 56 ASN H 1 58 GLY H 4.000 . 5.000 4.639 4.445 4.847 . 0 0 "[ . 1 ]" 1
640 1 56 ASN HA 1 59 ARG H 3.000 . 3.600 3.223 2.904 3.406 . 0 0 "[ . 1 ]" 1
641 1 56 ASN HA 1 59 ARG HB3 4.000 . 5.000 3.190 1.900 5.315 0.315 12 0 "[ . 1 ]" 1
642 1 56 ASN HA 1 59 ARG HB2 4.000 . 5.000 3.548 2.220 5.272 0.272 2 0 "[ . 1 ]" 1
643 1 56 ASN HA 1 59 ARG QG 4.000 . 6.000 4.340 3.636 4.621 . 0 0 "[ . 1 ]" 1
644 1 56 ASN QB 1 59 ARG H 4.000 . 6.000 4.542 4.344 4.735 . 0 0 "[ . 1 ]" 1
645 1 56 ASN QD 1 60 ALA HA 4.000 . 6.000 3.711 2.901 5.378 . 0 0 "[ . 1 ]" 1
646 1 56 ASN HD21 1 60 ALA MB 4.000 . 6.500 3.543 2.200 4.551 . 0 0 "[ . 1 ]" 1
647 1 56 ASN HD22 1 60 ALA MB 4.000 . 6.500 4.342 2.703 5.333 . 0 0 "[ . 1 ]" 1
648 1 57 LEU H 1 57 LEU HA 2.500 . 3.000 2.836 2.819 2.862 . 0 0 "[ . 1 ]" 1
649 1 57 LEU H 1 57 LEU HB3 2.500 . 3.000 2.561 2.450 2.739 . 0 0 "[ . 1 ]" 1
650 1 57 LEU H 1 57 LEU HB2 2.500 . 3.000 2.574 2.384 2.652 . 0 0 "[ . 1 ]" 1
651 1 57 LEU H 1 57 LEU MD1 4.000 . 6.000 4.097 3.872 4.167 . 0 0 "[ . 1 ]" 1
652 1 57 LEU H 1 57 LEU MD2 4.000 . 6.000 4.220 3.809 4.347 . 0 0 "[ . 1 ]" 1
653 1 57 LEU HA 1 57 LEU HB3 3.000 . 3.600 3.035 3.032 3.043 . 0 0 "[ . 1 ]" 1
654 1 57 LEU HA 1 57 LEU HB2 3.000 . 3.600 2.467 2.419 2.542 . 0 0 "[ . 1 ]" 1
655 1 57 LEU HA 1 57 LEU MD1 4.000 . 6.000 2.383 2.239 2.581 . 0 0 "[ . 1 ]" 1
656 1 57 LEU HA 1 57 LEU MD2 4.000 . 6.000 3.742 2.180 3.920 . 0 0 "[ . 1 ]" 1
657 1 57 LEU HB3 1 57 LEU MD1 3.000 . 4.200 3.073 2.417 3.155 . 0 0 "[ . 1 ]" 1
658 1 57 LEU HB2 1 57 LEU MD1 3.000 . 4.200 2.210 2.018 3.213 . 0 0 "[ . 1 ]" 1
659 1 57 LEU HB3 1 57 LEU MD2 3.000 . 4.200 2.199 2.015 3.174 . 0 0 "[ . 1 ]" 1
660 1 57 LEU HB2 1 57 LEU MD2 3.000 . 4.200 2.582 2.181 2.676 . 0 0 "[ . 1 ]" 1
661 1 57 LEU H 1 58 GLY H 2.500 . 3.000 2.903 2.717 3.105 0.105 3 0 "[ . 1 ]" 1
662 1 57 LEU HA 1 58 GLY H 3.000 . 3.600 3.580 3.542 3.591 . 0 0 "[ . 1 ]" 1
663 1 57 LEU QB 1 58 GLY H 3.000 . 4.600 2.219 1.799 2.342 . 0 0 "[ . 1 ]" 1
664 1 57 LEU MD1 1 58 GLY H 4.000 . 6.000 4.316 2.407 4.550 . 0 0 "[ . 1 ]" 1
665 1 57 LEU MD2 1 58 GLY H 4.000 . 6.000 3.553 3.365 4.215 . 0 0 "[ . 1 ]" 1
666 1 57 LEU HG 1 58 GLY H 3.000 . 3.600 3.466 3.237 3.815 0.215 3 0 "[ . 1 ]" 1
667 1 57 LEU QB 1 59 ARG H 4.000 . 6.000 4.168 4.009 4.253 . 0 0 "[ . 1 ]" 1
668 1 57 LEU HA 1 59 ARG QB 4.000 . 6.000 5.220 4.310 5.415 . 0 0 "[ . 1 ]" 1
669 1 57 LEU H 1 59 ARG H 4.000 . 5.000 3.678 3.534 3.822 . 0 0 "[ . 1 ]" 1
670 1 56 ASN H 1 57 LEU QB 4.000 . 6.000 4.535 4.409 4.729 . 0 0 "[ . 1 ]" 1
671 1 57 LEU MD1 1 59 ARG H 4.000 . 6.500 5.219 3.933 5.420 . 0 0 "[ . 1 ]" 1
672 1 57 LEU MD2 1 59 ARG H 4.000 . 6.500 5.360 5.259 5.394 . 0 0 "[ . 1 ]" 1
673 1 58 GLY H 1 58 GLY HA3 2.500 . 3.000 2.360 2.349 2.378 . 0 0 "[ . 1 ]" 1
674 1 58 GLY H 1 58 GLY HA2 2.500 . 3.000 2.876 2.745 2.939 . 0 0 "[ . 1 ]" 1
675 1 58 GLY H 1 59 ARG H 2.500 . 3.000 2.617 2.526 2.934 . 0 0 "[ . 1 ]" 1
676 1 58 GLY HA3 1 59 ARG H 3.000 . 3.600 3.163 2.940 3.375 . 0 0 "[ . 1 ]" 1
677 1 58 GLY HA2 1 59 ARG H 3.000 . 3.600 3.358 3.094 3.515 . 0 0 "[ . 1 ]" 1
678 1 58 GLY QA 1 61 TRP QB 4.000 . 7.000 4.868 2.744 5.467 . 0 0 "[ . 1 ]" 1
679 1 59 ARG H 1 59 ARG HA 2.500 . 3.000 2.825 2.309 2.995 . 0 0 "[ . 1 ]" 1
680 1 59 ARG H 1 59 ARG HB3 2.500 . 3.000 3.039 2.402 3.518 0.518 2 2 "[ + . 1- ]" 1
681 1 59 ARG H 1 59 ARG HB2 2.500 . 3.000 2.774 2.187 3.387 0.387 11 0 "[ . 1 ]" 1
682 1 59 ARG H 1 59 ARG QG 4.000 . 6.000 4.086 3.926 4.318 . 0 0 "[ . 1 ]" 1
683 1 59 ARG H 1 60 ALA H 2.500 . 3.000 2.369 1.945 2.991 . 0 0 "[ . 1 ]" 1
684 1 59 ARG HA 1 60 ALA H 3.000 . 3.600 3.169 2.690 3.589 . 0 0 "[ . 1 ]" 1
685 1 59 ARG QB 1 60 ALA HA 4.000 . 6.000 4.415 3.759 5.375 . 0 0 "[ . 1 ]" 1
686 1 59 ARG QB 1 61 TRP H 4.000 . 6.000 4.697 3.538 5.387 . 0 0 "[ . 1 ]" 1
687 1 59 ARG QB 1 62 ASP H 4.000 . 6.000 4.614 3.330 5.368 . 0 0 "[ . 1 ]" 1
688 1 59 ARG QG 1 62 ASP H 4.000 . 6.000 4.439 3.917 5.321 . 0 0 "[ . 1 ]" 1
689 1 59 ARG HA 1 62 ASP HB3 4.000 . 5.000 4.785 3.593 5.208 0.208 12 0 "[ . 1 ]" 1
690 1 59 ARG HA 1 62 ASP HB2 4.000 . 5.000 4.203 3.048 5.230 0.230 12 0 "[ . 1 ]" 1
691 1 60 ALA H 1 60 ALA HA 2.500 . 3.000 2.739 2.344 2.968 . 0 0 "[ . 1 ]" 1
692 1 60 ALA H 1 60 ALA MB 2.500 . 3.600 2.325 2.052 2.984 . 0 0 "[ . 1 ]" 1
693 1 60 ALA H 1 61 TRP H 2.500 . 3.000 2.767 2.189 3.302 0.302 12 0 "[ . 1 ]" 1
694 1 60 ALA HA 1 61 TRP H 3.000 . 3.600 3.146 2.208 3.511 . 0 0 "[ . 1 ]" 1
695 1 60 ALA MB 1 61 TRP H 3.000 . 4.600 3.120 2.793 3.575 . 0 0 "[ . 1 ]" 1
696 1 60 ALA MB 1 62 ASP H 4.000 . 6.500 4.262 4.209 4.353 . 0 0 "[ . 1 ]" 1
697 1 61 TRP H 1 61 TRP HA 2.500 . 3.000 2.865 2.590 2.959 . 0 0 "[ . 1 ]" 1
698 1 61 TRP H 1 61 TRP HB3 2.500 . 3.000 2.764 2.553 2.981 . 0 0 "[ . 1 ]" 1
699 1 61 TRP H 1 61 TRP HB2 2.500 . 3.000 2.565 2.348 2.733 . 0 0 "[ . 1 ]" 1
700 1 61 TRP HA 1 61 TRP HB3 2.500 . 3.000 3.009 2.961 3.030 0.030 4 0 "[ . 1 ]" 1
701 1 61 TRP HA 1 61 TRP HB2 2.500 . 3.000 2.554 2.367 2.723 . 0 0 "[ . 1 ]" 1
702 1 61 TRP H 1 61 TRP HD1 4.000 . 5.000 4.786 4.635 5.077 0.077 2 0 "[ . 1 ]" 1
703 1 61 TRP HA 1 62 ASP H 2.500 . 3.000 2.763 2.226 3.066 0.066 1 0 "[ . 1 ]" 1
704 1 61 TRP HB3 1 62 ASP H 4.000 . 5.000 4.171 3.898 4.484 . 0 0 "[ . 1 ]" 1
705 1 61 TRP HB2 1 62 ASP H 4.000 . 5.000 4.498 4.345 4.613 . 0 0 "[ . 1 ]" 1
706 1 61 TRP QB 1 62 ASP HA 4.000 . 6.000 4.477 4.243 4.886 . 0 0 "[ . 1 ]" 1
707 1 61 TRP H 1 62 ASP H 4.000 . 5.000 3.163 2.688 3.850 . 0 0 "[ . 1 ]" 1
708 1 61 TRP HD1 1 62 ASP H 4.000 . 5.000 4.558 4.160 5.048 0.048 4 0 "[ . 1 ]" 1
709 1 62 ASP H 1 62 ASP HA 2.500 . 3.000 2.968 2.888 2.990 . 0 0 "[ . 1 ]" 1
710 1 62 ASP H 1 62 ASP HB3 3.000 . 3.600 2.644 2.335 3.580 . 0 0 "[ . 1 ]" 1
711 1 62 ASP H 1 62 ASP HB2 3.000 . 3.600 2.886 2.357 3.611 0.011 3 0 "[ . 1 ]" 1
712 1 62 ASP HA 1 62 ASP HB3 2.500 . 3.000 2.947 2.465 3.044 0.044 2 0 "[ . 1 ]" 1
713 1 62 ASP HA 1 62 ASP HB2 2.500 . 3.000 2.534 2.410 2.996 . 0 0 "[ . 1 ]" 1
714 1 62 ASP H 1 63 VAL H 3.000 . 3.600 3.012 2.215 3.889 0.289 3 0 "[ . 1 ]" 1
715 1 62 ASP HA 1 63 VAL H 3.000 . 3.600 2.886 2.342 3.529 . 0 0 "[ . 1 ]" 1
716 1 62 ASP HA 1 63 VAL HA 4.000 . 5.000 4.677 4.546 4.922 . 0 0 "[ . 1 ]" 1
717 1 62 ASP HA 1 64 GLN H 4.000 . 5.000 3.490 3.024 4.397 . 0 0 "[ . 1 ]" 1
718 1 62 ASP QB 1 64 GLN H 4.000 . 6.000 4.482 3.139 5.349 . 0 0 "[ . 1 ]" 1
719 1 62 ASP HB3 1 63 VAL H 4.000 . 5.000 3.966 1.918 4.588 . 0 0 "[ . 1 ]" 1
720 1 62 ASP HB2 1 63 VAL H 4.000 . 5.000 4.393 3.432 4.696 . 0 0 "[ . 1 ]" 1
721 1 63 VAL H 1 63 VAL HA 2.500 . 3.000 2.917 2.793 2.974 . 0 0 "[ . 1 ]" 1
722 1 63 VAL H 1 63 VAL HB 2.500 . 3.000 2.730 2.521 2.876 . 0 0 "[ . 1 ]" 1
723 1 63 VAL H 1 63 VAL QG 3.000 . 5.300 1.998 1.816 2.147 . 0 0 "[ . 1 ]" 1
724 1 63 VAL HA 1 63 VAL HB 3.000 . 3.600 3.012 2.990 3.024 . 0 0 "[ . 1 ]" 1
725 1 63 VAL HA 1 63 VAL MG1 3.000 . 4.200 2.163 2.040 2.333 . 0 0 "[ . 1 ]" 1
726 1 63 VAL HA 1 63 VAL MG2 3.000 . 4.200 2.499 2.418 2.600 . 0 0 "[ . 1 ]" 1
727 1 63 VAL H 1 64 GLN H 2.500 . 3.000 2.586 2.313 2.928 . 0 0 "[ . 1 ]" 1
728 1 63 VAL H 1 65 GLU H 4.000 . 5.000 4.592 4.052 4.941 . 0 0 "[ . 1 ]" 1
729 1 63 VAL HA 1 65 GLU H 4.000 . 5.000 3.611 3.173 4.478 . 0 0 "[ . 1 ]" 1
730 1 63 VAL HB 1 65 GLU H 4.000 . 5.000 4.982 4.881 5.046 0.046 12 0 "[ . 1 ]" 1
731 1 63 VAL MG1 1 65 GLU H 4.000 . 6.500 4.438 3.881 5.166 . 0 0 "[ . 1 ]" 1
732 1 63 VAL MG2 1 65 GLU H 4.000 . 6.500 5.143 5.026 5.310 . 0 0 "[ . 1 ]" 1
733 1 63 VAL HA 1 66 MET H 3.000 . 3.600 3.286 3.013 3.628 0.028 8 0 "[ . 1 ]" 1
734 1 63 VAL HB 1 66 MET H 4.000 . 5.000 4.771 4.479 5.043 0.043 1 0 "[ . 1 ]" 1
735 1 63 VAL MG1 1 66 MET H 4.000 . 6.500 3.239 2.487 4.250 . 0 0 "[ . 1 ]" 1
736 1 63 VAL MG2 1 66 MET H 4.000 . 6.500 4.951 4.634 5.169 . 0 0 "[ . 1 ]" 1
737 1 63 VAL QG 1 67 LEU H 4.000 . 7.500 3.890 3.028 4.492 . 0 0 "[ . 1 ]" 1
738 1 63 VAL HA 1 64 GLN H 3.000 . 3.600 3.358 3.202 3.579 . 0 0 "[ . 1 ]" 1
739 1 63 VAL HB 1 64 GLN H 3.000 . 3.600 3.260 2.347 3.682 0.082 8 0 "[ . 1 ]" 1
740 1 63 VAL MG1 1 64 GLN H 4.000 . 6.000 4.068 3.523 4.310 . 0 0 "[ . 1 ]" 1
741 1 63 VAL MG2 1 64 GLN H 4.000 . 6.000 3.828 3.488 4.104 . 0 0 "[ . 1 ]" 1
742 1 64 GLN H 1 64 GLN HA 2.500 . 3.000 2.778 2.730 2.816 . 0 0 "[ . 1 ]" 1
743 1 64 GLN H 1 64 GLN QB 3.000 . 4.200 2.403 2.176 2.702 . 0 0 "[ . 1 ]" 1
744 1 64 GLN H 1 64 GLN QG 3.000 . 4.600 2.906 1.886 3.567 . 0 0 "[ . 1 ]" 1
745 1 63 VAL HB 1 64 GLN HE21 4.000 . 5.000 3.647 2.404 4.445 . 0 0 "[ . 1 ]" 1
746 1 63 VAL HB 1 64 GLN HE22 4.000 . 5.000 3.675 2.800 4.352 . 0 0 "[ . 1 ]" 1
747 1 63 VAL MG1 1 64 GLN HE21 4.000 . 6.500 4.619 3.524 5.355 . 0 0 "[ . 1 ]" 1
748 1 63 VAL MG2 1 64 GLN HE21 4.000 . 6.500 4.659 3.882 5.357 . 0 0 "[ . 1 ]" 1
749 1 63 VAL MG1 1 64 GLN HE22 4.000 . 6.500 4.757 3.455 5.374 . 0 0 "[ . 1 ]" 1
750 1 63 VAL MG2 1 64 GLN HE22 4.000 . 6.500 4.395 3.380 5.191 . 0 0 "[ . 1 ]" 1
751 1 64 GLN H 1 65 GLU H 2.500 . 3.000 2.868 2.777 2.946 . 0 0 "[ . 1 ]" 1
752 1 64 GLN HA 1 65 GLU H 3.000 . 3.600 3.525 3.475 3.576 . 0 0 "[ . 1 ]" 1
753 1 64 GLN QB 1 65 GLU H 2.500 . 4.000 2.761 2.375 2.997 . 0 0 "[ . 1 ]" 1
754 1 64 GLN QG 1 65 GLU H 4.000 . 6.000 4.395 3.792 4.729 . 0 0 "[ . 1 ]" 1
755 1 64 GLN H 1 66 MET H 4.000 . 5.000 4.455 3.929 4.883 . 0 0 "[ . 1 ]" 1
756 1 64 GLN QB 1 66 MET H 4.000 . 6.000 4.833 4.396 5.116 . 0 0 "[ . 1 ]" 1
757 1 64 GLN HA 1 67 LEU H 3.000 . 3.600 3.399 3.138 3.629 0.029 4 0 "[ . 1 ]" 1
758 1 65 GLU H 1 65 GLU HA 2.500 . 3.000 2.870 2.827 2.903 . 0 0 "[ . 1 ]" 1
759 1 65 GLU H 1 65 GLU QB 3.000 . 4.200 2.228 2.078 2.585 . 0 0 "[ . 1 ]" 1
760 1 65 GLU H 1 65 GLU QG 4.000 . 5.100 3.069 1.849 3.970 . 0 0 "[ . 1 ]" 1
761 1 65 GLU HA 1 65 GLU QB 2.500 . 3.600 2.465 2.199 2.547 . 0 0 "[ . 1 ]" 1
762 1 65 GLU HA 1 65 GLU QG 3.000 . 4.200 2.325 2.044 3.297 . 0 0 "[ . 1 ]" 1
763 1 65 GLU H 1 66 MET H 2.500 . 3.000 2.690 2.479 2.894 . 0 0 "[ . 1 ]" 1
764 1 65 GLU HA 1 66 MET H 3.000 . 3.600 3.549 3.488 3.588 . 0 0 "[ . 1 ]" 1
765 1 65 GLU QB 1 66 MET H 3.000 . 4.600 2.652 2.209 3.207 . 0 0 "[ . 1 ]" 1
766 1 65 GLU QG 1 66 MET H 4.000 . 6.000 4.023 1.833 4.612 . 0 0 "[ . 1 ]" 1
767 1 65 GLU HA 1 66 MET HA 4.000 . 5.000 4.763 4.711 4.835 . 0 0 "[ . 1 ]" 1
768 1 65 GLU H 1 67 LEU H 4.000 . 5.000 3.804 3.591 3.973 . 0 0 "[ . 1 ]" 1
769 1 66 MET H 1 66 MET HA 2.500 . 3.000 2.893 2.842 2.931 . 0 0 "[ . 1 ]" 1
770 1 66 MET H 1 66 MET HB3 3.000 . 3.600 3.328 3.234 3.410 . 0 0 "[ . 1 ]" 1
771 1 66 MET H 1 66 MET HB2 3.000 . 3.600 2.090 2.058 2.137 . 0 0 "[ . 1 ]" 1
772 1 66 MET HA 1 66 MET QB 2.500 . 3.600 2.540 2.532 2.547 . 0 0 "[ . 1 ]" 1
773 1 66 MET HA 1 66 MET QG 2.500 . 3.600 2.062 1.908 2.382 . 0 0 "[ . 1 ]" 1
774 1 66 MET H 1 67 LEU H 2.500 . 3.000 2.564 2.424 2.690 . 0 0 "[ . 1 ]" 1
775 1 66 MET HA 1 67 LEU H 3.000 . 3.600 3.379 3.291 3.436 . 0 0 "[ . 1 ]" 1
776 1 66 MET HB3 1 67 LEU H 3.000 . 3.600 3.633 3.570 3.723 0.123 2 0 "[ . 1 ]" 1
777 1 66 MET HB2 1 67 LEU H 3.000 . 3.600 3.580 3.379 3.742 0.142 11 0 "[ . 1 ]" 1
778 1 66 MET QG 1 67 LEU H 4.000 . 6.000 4.631 4.546 4.785 . 0 0 "[ . 1 ]" 1
779 1 66 MET HA 1 68 VAL H 4.000 . 5.000 3.836 3.226 4.814 . 0 0 "[ . 1 ]" 1
780 1 66 MET H 1 68 VAL H 4.000 . 5.000 4.611 4.106 4.834 . 0 0 "[ . 1 ]" 1
781 1 66 MET HA 1 68 VAL QG 4.000 . 7.900 3.932 2.306 5.346 . 0 0 "[ . 1 ]" 1
782 1 67 LEU H 1 67 LEU HA 2.500 . 3.000 2.851 2.722 2.974 . 0 0 "[ . 1 ]" 1
783 1 67 LEU H 1 67 LEU HB3 3.000 . 3.600 2.669 2.243 3.395 . 0 0 "[ . 1 ]" 1
784 1 67 LEU H 1 67 LEU HB2 3.000 . 3.600 2.660 2.113 3.617 0.017 2 0 "[ . 1 ]" 1
785 1 67 LEU H 1 67 LEU QD 3.000 . 5.300 3.359 1.927 3.755 . 0 0 "[ . 1 ]" 1
786 1 67 LEU H 1 68 VAL H 2.500 . 3.000 2.750 2.314 3.023 0.023 11 0 "[ . 1 ]" 1
787 1 67 LEU HA 1 68 VAL H 3.000 . 3.600 3.469 3.156 3.592 . 0 0 "[ . 1 ]" 1
788 1 67 LEU QB 1 68 VAL H 3.000 . 4.600 2.973 2.241 3.603 . 0 0 "[ . 1 ]" 1
789 1 67 LEU HG 1 68 VAL H 4.000 . 5.000 4.043 2.206 4.871 . 0 0 "[ . 1 ]" 1
790 1 67 LEU MD1 1 68 VAL H 4.000 . 6.000 4.370 2.494 5.057 . 0 0 "[ . 1 ]" 1
791 1 67 LEU MD2 1 68 VAL H 4.000 . 6.000 4.070 1.967 4.996 . 0 0 "[ . 1 ]" 1
792 1 67 LEU QD 1 69 ASP H 4.000 . 7.000 4.725 4.189 5.243 . 0 0 "[ . 1 ]" 1
793 1 67 LEU H 1 69 ASP H 4.000 . 5.000 4.559 3.993 4.939 . 0 0 "[ . 1 ]" 1
794 1 68 VAL H 1 68 VAL HA 2.500 . 3.000 2.802 2.729 2.951 . 0 0 "[ . 1 ]" 1
795 1 68 VAL H 1 68 VAL HB 3.000 . 3.600 2.785 2.338 3.637 0.037 2 0 "[ . 1 ]" 1
796 1 68 VAL H 1 68 VAL QG 3.000 . 5.300 2.060 1.773 2.522 . 0 0 "[ . 1 ]" 1
797 1 68 VAL HA 1 68 VAL HB 2.500 . 3.000 2.876 2.552 3.030 0.030 1 0 "[ . 1 ]" 1
798 1 68 VAL HA 1 68 VAL QG 3.000 . 4.600 2.106 2.019 2.212 . 0 0 "[ . 1 ]" 1
799 1 68 VAL H 1 69 ASP H 3.000 . 3.600 2.865 2.421 3.168 . 0 0 "[ . 1 ]" 1
800 1 68 VAL HA 1 69 ASP H 3.000 . 3.600 3.551 3.495 3.588 . 0 0 "[ . 1 ]" 1
801 1 68 VAL HB 1 69 ASP H 3.000 . 3.600 2.937 2.084 3.664 0.064 12 0 "[ . 1 ]" 1
802 1 68 VAL MG1 1 69 ASP H 4.000 . 6.000 3.344 1.742 4.120 . 0 0 "[ . 1 ]" 1
803 1 68 VAL MG2 1 69 ASP H 4.000 . 6.000 3.451 1.805 4.170 . 0 0 "[ . 1 ]" 1
804 1 69 ASP H 1 69 ASP HA 2.500 . 3.000 2.919 2.835 2.984 . 0 0 "[ . 1 ]" 1
805 1 69 ASP H 1 69 ASP HB3 3.000 . 3.600 3.343 2.571 3.657 0.057 10 0 "[ . 1 ]" 1
806 1 69 ASP H 1 69 ASP HB2 3.000 . 3.600 3.104 2.445 3.612 0.012 4 0 "[ . 1 ]" 1
807 1 69 ASP HA 1 69 ASP HB3 2.500 . 3.000 2.372 2.262 2.528 . 0 0 "[ . 1 ]" 1
808 1 69 ASP HA 1 69 ASP HB2 2.500 . 3.000 2.827 2.501 3.025 0.025 3 0 "[ . 1 ]" 1
809 1 69 ASP H 1 70 VAL H 4.000 . 5.000 4.218 2.905 4.679 . 0 0 "[ . 1 ]" 1
810 1 69 ASP HA 1 70 VAL H 3.000 . 3.600 2.606 2.246 3.543 . 0 0 "[ . 1 ]" 1
811 1 69 ASP HB3 1 70 VAL H 4.000 . 5.000 3.353 1.747 4.274 0.053 10 0 "[ . 1 ]" 1
812 1 69 ASP HB2 1 70 VAL H 4.000 . 5.000 2.919 1.739 4.271 0.061 7 0 "[ . 1 ]" 1
813 1 70 VAL H 1 70 VAL HA 2.500 . 3.000 2.864 2.615 2.989 . 0 0 "[ . 1 ]" 1
814 1 70 VAL H 1 70 VAL HB 2.500 . 3.000 2.577 1.957 3.049 0.049 8 0 "[ . 1 ]" 1
815 1 70 VAL H 1 70 VAL QG 4.000 . 5.800 2.207 1.758 2.847 . 0 0 "[ . 1 ]" 1
816 1 70 VAL HA 1 70 VAL HB 3.000 . 3.600 2.804 2.402 3.035 . 0 0 "[ . 1 ]" 1
817 1 70 VAL HA 1 70 VAL QG 3.000 . 4.600 2.082 1.936 2.324 . 0 0 "[ . 1 ]" 1
818 1 70 VAL HA 1 71 ILE H 2.500 . 3.000 2.643 2.243 3.377 0.377 7 0 "[ . 1 ]" 1
819 1 70 VAL QG 1 71 ILE H 3.000 . 5.500 2.076 1.722 3.129 . 0 0 "[ . 1 ]" 1
820 1 70 VAL QG 1 72 THR H 4.000 . 7.500 4.440 2.577 5.181 . 0 0 "[ . 1 ]" 1
821 1 38 ILE H 1 70 VAL QG 4.000 . 7.500 5.024 4.141 5.560 . 0 0 "[ . 1 ]" 1
822 1 9 PHE H 1 70 VAL QG 4.000 . 7.500 4.840 3.876 5.769 . 0 0 "[ . 1 ]" 1
823 1 71 ILE H 1 71 ILE HA 2.500 . 3.000 2.913 2.703 2.981 . 0 0 "[ . 1 ]" 1
824 1 71 ILE H 1 71 ILE HB 3.000 . 3.600 3.447 2.963 3.791 0.191 11 0 "[ . 1 ]" 1
825 1 71 ILE H 1 71 ILE MG 4.000 . 6.000 3.530 2.194 4.026 . 0 0 "[ . 1 ]" 1
826 1 71 ILE H 1 72 THR H 4.000 . 5.000 3.960 2.036 4.461 . 0 0 "[ . 1 ]" 1
827 1 71 ILE HA 1 72 THR H 3.000 . 3.600 2.657 2.177 3.638 0.038 9 0 "[ . 1 ]" 1
828 1 71 ILE HB 1 72 THR H 3.000 . 3.600 3.240 2.092 3.699 0.099 1 0 "[ . 1 ]" 1
829 1 71 ILE QG 1 72 THR H 4.000 . 6.000 3.959 2.122 4.534 . 0 0 "[ . 1 ]" 1
830 1 71 ILE MD 1 72 THR H 4.000 . 6.000 4.069 1.785 4.902 . 0 0 "[ . 1 ]" 1
831 1 10 GLN H 1 71 ILE MG 4.000 . 6.500 4.752 4.100 5.386 . 0 0 "[ . 1 ]" 1
832 1 71 ILE MG 1 72 THR H 4.000 . 6.500 2.913 1.611 4.226 . 0 0 "[ . 1 ]" 1
833 1 72 THR H 1 72 THR HA 2.500 . 3.000 2.916 2.800 2.979 . 0 0 "[ . 1 ]" 1
834 1 72 THR H 1 72 THR HB 3.000 . 3.600 3.392 2.953 3.848 0.248 6 0 "[ . 1 ]" 1
835 1 72 THR H 1 72 THR MG 4.000 . 6.000 3.953 3.792 4.081 . 0 0 "[ . 1 ]" 1
836 1 72 THR HA 1 73 ILE H 2.500 . 3.000 2.440 2.239 3.029 0.029 6 0 "[ . 1 ]" 1
837 1 72 THR HA 1 73 ILE HA 4.000 . 5.000 4.572 4.470 4.901 . 0 0 "[ . 1 ]" 1
838 1 72 THR HB 1 73 ILE H 3.000 . 3.600 3.057 1.648 3.537 0.152 6 0 "[ . 1 ]" 1
839 1 72 THR MG 1 73 ILE H 4.000 . 6.500 2.480 1.774 3.063 . 0 0 "[ . 1 ]" 1
840 1 73 ILE H 1 73 ILE HA 2.500 . 3.000 2.931 2.775 2.979 . 0 0 "[ . 1 ]" 1
841 1 73 ILE H 1 73 ILE HB 3.000 . 3.600 3.516 2.986 3.752 0.152 4 0 "[ . 1 ]" 1
842 1 73 ILE H 1 73 ILE MG 4.000 . 6.000 3.363 1.872 4.048 . 0 0 "[ . 1 ]" 1
843 1 73 ILE HA 1 73 ILE HB 2.500 . 3.000 2.700 2.295 3.041 0.041 8 0 "[ . 1 ]" 1
844 1 73 ILE H 1 74 GLY H 4.000 . 5.000 4.334 3.875 4.464 . 0 0 "[ . 1 ]" 1
845 1 73 ILE HA 1 74 GLY H 2.500 . 3.000 2.595 2.219 3.273 0.273 6 0 "[ . 1 ]" 1
846 1 73 ILE HB 1 74 GLY H 3.000 . 3.600 2.824 1.992 3.688 0.088 1 0 "[ . 1 ]" 1
847 1 73 ILE MG 1 74 GLY H 4.000 . 6.500 2.833 1.755 4.059 . 0 0 "[ . 1 ]" 1
848 1 73 ILE MD 1 74 GLY H 4.000 . 6.500 3.767 2.721 4.673 . 0 0 "[ . 1 ]" 1
849 1 73 ILE MG 1 75 GLY H 4.000 . 6.500 3.939 2.303 4.920 . 0 0 "[ . 1 ]" 1
850 1 73 ILE MD 1 75 GLY H 4.000 . 6.500 4.307 1.892 5.400 . 0 0 "[ . 1 ]" 1
851 1 8 ALA H 1 73 ILE MG 4.000 . 6.500 4.387 2.379 5.300 . 0 0 "[ . 1 ]" 1
852 1 74 GLY H 1 74 GLY HA3 2.500 . 3.000 2.828 2.722 2.901 . 0 0 "[ . 1 ]" 1
853 1 74 GLY H 1 74 GLY HA2 2.500 . 3.000 2.789 2.302 2.925 . 0 0 "[ . 1 ]" 1
854 1 74 GLY H 1 75 GLY H 3.000 . 3.600 2.657 1.924 3.999 0.399 1 0 "[ . 1 ]" 1
855 1 74 GLY HA3 1 75 GLY H 3.000 . 3.600 3.225 2.160 3.577 . 0 0 "[ . 1 ]" 1
856 1 74 GLY HA2 1 75 GLY H 3.000 . 3.600 2.881 2.448 3.513 . 0 0 "[ . 1 ]" 1
857 1 74 GLY QA 1 76 ASN H 4.000 . 6.000 4.816 3.348 5.503 . 0 0 "[ . 1 ]" 1
858 1 75 GLY H 1 75 GLY HA3 2.500 . 3.000 2.723 2.407 2.993 . 0 0 "[ . 1 ]" 1
859 1 75 GLY H 1 75 GLY HA2 2.500 . 3.000 2.851 2.525 2.986 . 0 0 "[ . 1 ]" 1
860 1 75 GLY H 1 76 ASN H 3.000 . 3.600 2.998 2.359 3.397 . 0 0 "[ . 1 ]" 1
861 1 75 GLY QA 1 76 ASN H 3.000 . 4.600 2.361 2.168 2.747 . 0 0 "[ . 1 ]" 1
862 1 76 ASN H 1 76 ASN HA 2.500 . 3.000 2.902 2.844 2.997 . 0 0 "[ . 1 ]" 1
863 1 76 ASN H 1 76 ASN QB 3.000 . 4.200 2.934 2.515 3.336 . 0 0 "[ . 1 ]" 1
864 1 76 ASN HA 1 77 VAL H 2.500 . 3.000 2.695 2.165 3.136 0.136 5 0 "[ . 1 ]" 1
865 1 76 ASN H 1 77 VAL H 4.000 . 5.000 4.185 3.952 4.359 . 0 0 "[ . 1 ]" 1
866 1 76 ASN QB 1 77 VAL H 3.000 . 4.600 2.409 1.801 3.341 . 0 0 "[ . 1 ]" 1
867 1 76 ASN H 1 87 GLU H 4.000 . 5.000 4.452 3.636 5.063 0.063 4 0 "[ . 1 ]" 1
868 1 76 ASN QB 1 87 GLU H 4.000 . 6.000 4.018 2.217 5.489 . 0 0 "[ . 1 ]" 1
869 1 77 VAL H 1 77 VAL HA 2.500 . 3.000 2.890 2.800 2.986 . 0 0 "[ . 1 ]" 1
870 1 77 VAL H 1 77 VAL HB 3.000 . 3.600 3.448 3.105 3.642 0.042 1 0 "[ . 1 ]" 1
871 1 77 VAL H 1 77 VAL MG1 3.000 . 4.600 2.614 1.841 3.999 . 0 0 "[ . 1 ]" 1
872 1 77 VAL H 1 77 VAL MG2 4.000 . 6.000 3.722 2.179 4.077 . 0 0 "[ . 1 ]" 1
873 1 77 VAL HA 1 77 VAL HB 2.500 . 3.000 2.537 2.408 3.001 0.001 2 0 "[ . 1 ]" 1
874 1 77 VAL HA 1 77 VAL MG1 3.000 . 4.200 2.996 1.900 3.195 . 0 0 "[ . 1 ]" 1
875 1 77 VAL HA 1 77 VAL MG2 3.000 . 4.200 2.460 2.305 3.054 . 0 0 "[ . 1 ]" 1
876 1 77 VAL HA 1 78 ASP H 3.000 . 3.600 2.375 2.174 2.901 . 0 0 "[ . 1 ]" 1
877 1 77 VAL H 1 78 ASP H 4.000 . 5.000 3.289 1.971 4.374 . 0 0 "[ . 1 ]" 1
878 1 77 VAL HB 1 78 ASP H 4.000 . 5.000 4.460 3.901 4.689 . 0 0 "[ . 1 ]" 1
879 1 77 VAL MG1 1 78 ASP H 4.000 . 6.500 4.036 3.696 4.239 . 0 0 "[ . 1 ]" 1
880 1 77 VAL MG2 1 78 ASP H 4.000 . 6.500 3.525 2.610 4.437 . 0 0 "[ . 1 ]" 1
881 1 77 VAL MG2 1 79 GLU H 4.000 . 6.500 4.340 2.215 5.437 . 0 0 "[ . 1 ]" 1
882 1 77 VAL MG1 1 79 GLU H 4.000 . 6.500 4.899 3.796 5.474 . 0 0 "[ . 1 ]" 1
883 1 77 VAL HA 1 87 GLU H 4.000 . 5.000 4.898 3.765 5.293 0.293 7 0 "[ . 1 ]" 1
884 1 77 VAL HA 1 86 LEU QD 4.000 . 7.500 3.137 1.841 5.109 . 0 0 "[ . 1 ]" 1
885 1 77 VAL QG 1 86 LEU HA 4.000 . 7.500 3.876 1.827 5.018 . 0 0 "[ . 1 ]" 1
886 1 78 ASP H 1 78 ASP HA 2.500 . 3.000 2.925 2.751 2.988 . 0 0 "[ . 1 ]" 1
887 1 78 ASP H 1 78 ASP HB3 3.000 . 3.600 3.507 2.366 3.737 0.137 8 0 "[ . 1 ]" 1
888 1 78 ASP H 1 78 ASP HB2 3.000 . 3.600 2.991 2.080 3.592 . 0 0 "[ . 1 ]" 1
889 1 78 ASP H 1 79 GLU H 4.000 . 5.000 4.076 2.861 4.572 . 0 0 "[ . 1 ]" 1
890 1 78 ASP HA 1 79 GLU H 2.500 . 3.000 2.505 2.081 3.437 0.437 2 0 "[ . 1 ]" 1
891 1 78 ASP HB3 1 79 GLU H 3.000 . 3.600 3.454 2.995 3.711 0.111 3 0 "[ . 1 ]" 1
892 1 78 ASP HB2 1 79 GLU H 3.000 . 3.600 3.620 3.503 3.855 0.255 3 0 "[ . 1 ]" 1
893 1 78 ASP H 1 86 LEU HA 3.000 . 3.600 3.000 1.839 3.768 0.168 2 0 "[ . 1 ]" 1
894 1 78 ASP H 1 86 LEU HG 4.000 . 5.000 4.827 4.208 5.208 0.208 10 0 "[ . 1 ]" 1
895 1 78 ASP H 1 85 VAL H 4.000 . 5.000 4.319 3.574 5.066 0.066 7 0 "[ . 1 ]" 1
896 1 79 GLU H 1 79 GLU HA 2.500 . 3.000 2.987 2.974 2.995 . 0 0 "[ . 1 ]" 1
897 1 79 GLU H 1 79 GLU QB 3.000 . 4.200 2.720 2.335 3.098 . 0 0 "[ . 1 ]" 1
898 1 79 GLU H 1 79 GLU QG 3.000 . 4.600 2.865 1.867 4.133 . 0 0 "[ . 1 ]" 1
899 1 79 GLU HA 1 79 GLU QB 2.500 . 3.000 2.330 2.194 2.550 . 0 0 "[ . 1 ]" 1
900 1 79 GLU HA 1 79 GLU QG 3.000 . 4.200 2.737 1.979 3.342 . 0 0 "[ . 1 ]" 1
901 1 79 GLU H 1 80 ASP H 4.000 . 5.000 4.383 4.016 4.535 . 0 0 "[ . 1 ]" 1
902 1 79 GLU HA 1 80 ASP H 3.000 . 3.600 2.278 2.204 2.464 . 0 0 "[ . 1 ]" 1
903 1 79 GLU QB 1 80 ASP H 4.000 . 6.000 3.228 2.510 3.844 . 0 0 "[ . 1 ]" 1
904 1 79 GLU QG 1 80 ASP H 4.000 . 6.000 3.651 1.947 4.392 . 0 0 "[ . 1 ]" 1
905 1 79 GLU HA 1 85 VAL H 3.000 . 3.600 3.270 2.845 3.791 0.191 7 0 "[ . 1 ]" 1
906 1 79 GLU HA 1 84 PHE QD 4.000 . 7.900 3.293 1.873 4.666 . 0 0 "[ . 1 ]" 1
907 1 79 GLU QB 1 85 VAL H 4.000 . 6.000 4.718 4.088 5.447 . 0 0 "[ . 1 ]" 1
908 1 79 GLU HA 1 84 PHE HA 3.000 . 3.600 2.814 2.082 3.471 . 0 0 "[ . 1 ]" 1
909 1 80 ASP H 1 80 ASP HA 2.500 . 3.000 2.983 2.956 2.992 . 0 0 "[ . 1 ]" 1
910 1 80 ASP H 1 80 ASP HB3 3.000 . 3.600 3.194 2.376 3.618 0.018 6 0 "[ . 1 ]" 1
911 1 80 ASP H 1 80 ASP HB2 3.000 . 3.600 2.822 2.283 3.693 0.093 8 0 "[ . 1 ]" 1
912 1 80 ASP H 1 81 ASP H 3.000 . 3.600 3.194 2.529 3.609 0.009 8 0 "[ . 1 ]" 1
913 1 80 ASP HA 1 81 ASP H 3.000 . 3.600 3.483 3.369 3.587 . 0 0 "[ . 1 ]" 1
914 1 80 ASP HB3 1 81 ASP H 3.000 . 3.600 2.320 1.867 3.351 . 0 0 "[ . 1 ]" 1
915 1 80 ASP HB2 1 81 ASP H 3.000 . 3.600 2.505 1.864 3.578 . 0 0 "[ . 1 ]" 1
916 1 80 ASP QB 1 82 ASP H 4.000 . 6.000 4.076 3.538 4.925 . 0 0 "[ . 1 ]" 1
917 1 80 ASP H 1 83 ARG H 4.000 . 5.000 4.657 3.947 5.045 0.045 7 0 "[ . 1 ]" 1
918 1 81 ASP H 1 81 ASP HA 2.500 . 3.200 2.981 2.965 2.987 . 0 0 "[ . 1 ]" 1
919 1 81 ASP H 1 81 ASP HB3 3.000 . 3.600 3.189 2.424 3.648 0.048 2 0 "[ . 1 ]" 1
920 1 81 ASP H 1 81 ASP HB2 3.000 . 3.600 2.539 2.275 3.066 . 0 0 "[ . 1 ]" 1
921 1 81 ASP HA 1 81 ASP HB3 2.500 . 3.000 2.793 2.565 3.026 0.026 7 0 "[ . 1 ]" 1
922 1 81 ASP HA 1 81 ASP HB2 2.500 . 3.000 2.802 2.400 3.021 0.021 6 0 "[ . 1 ]" 1
923 1 81 ASP H 1 82 ASP H 3.000 . 3.600 2.617 2.263 3.199 . 0 0 "[ . 1 ]" 1
924 1 81 ASP HA 1 82 ASP H 3.000 . 3.600 3.561 3.494 3.588 . 0 0 "[ . 1 ]" 1
925 1 81 ASP HA 1 82 ASP HA 4.000 . 5.000 4.564 4.542 4.585 . 0 0 "[ . 1 ]" 1
926 1 81 ASP HA 1 82 ASP QB 4.000 . 6.000 5.033 4.676 5.306 . 0 0 "[ . 1 ]" 1
927 1 81 ASP QB 1 82 ASP QB 4.000 . 7.000 3.462 3.122 3.920 . 0 0 "[ . 1 ]" 1
928 1 81 ASP QB 1 82 ASP H 2.500 . 4.000 2.141 1.864 2.545 . 0 0 "[ . 1 ]" 1
929 1 82 ASP H 1 82 ASP HA 2.500 . 3.000 2.991 2.988 2.995 . 0 0 "[ . 1 ]" 1
930 1 82 ASP H 1 82 ASP QB 3.000 . 4.200 2.639 2.432 3.114 . 0 0 "[ . 1 ]" 1
931 1 82 ASP H 1 83 ARG H 2.500 . 3.000 1.897 1.801 2.225 . 0 0 "[ . 1 ]" 1
932 1 82 ASP HA 1 83 ARG H 3.000 . 3.600 3.477 3.282 3.570 . 0 0 "[ . 1 ]" 1
933 1 82 ASP QB 1 83 ARG H 3.000 . 4.600 2.985 2.352 3.768 . 0 0 "[ . 1 ]" 1
934 1 83 ARG H 1 83 ARG HA 2.500 . 3.000 2.897 2.797 2.976 . 0 0 "[ . 1 ]" 1
935 1 83 ARG H 1 83 ARG HB3 3.000 . 3.600 3.281 2.410 3.543 . 0 0 "[ . 1 ]" 1
936 1 83 ARG H 1 83 ARG HB2 3.000 . 3.600 2.366 2.107 3.552 . 0 0 "[ . 1 ]" 1
937 1 83 ARG H 1 83 ARG QG 4.000 . 5.100 3.357 1.841 3.947 . 0 0 "[ . 1 ]" 1
938 1 83 ARG H 1 84 PHE H 4.000 . 5.000 4.425 3.463 4.636 . 0 0 "[ . 1 ]" 1
939 1 83 ARG HA 1 84 PHE H 3.000 . 3.600 2.782 2.465 3.437 . 0 0 "[ . 1 ]" 1
940 1 83 ARG QB 1 84 PHE H 3.000 . 4.600 2.113 1.810 3.270 . 0 0 "[ . 1 ]" 1
941 1 83 ARG QG 1 84 PHE H 3.000 . 4.600 2.804 1.739 3.971 . 0 0 "[ . 1 ]" 1
942 1 82 ASP H 1 83 ARG HB2 4.000 . 5.000 3.891 3.557 5.154 0.154 2 0 "[ . 1 ]" 1
943 1 82 ASP H 1 83 ARG HB3 4.000 . 5.000 4.915 3.883 5.171 0.171 12 0 "[ . 1 ]" 1
944 1 82 ASP H 1 83 ARG QG 4.000 . 6.000 4.903 3.071 5.459 . 0 0 "[ . 1 ]" 1
945 1 50 ARG H 1 83 ARG HA 4.000 . 5.000 4.324 3.079 5.137 0.137 2 0 "[ . 1 ]" 1
946 1 83 ARG HB3 1 84 PHE H 3.000 . 3.600 2.281 1.817 3.620 0.020 1 0 "[ . 1 ]" 1
947 1 83 ARG HB2 1 84 PHE H 3.000 . 3.600 3.373 1.821 3.726 0.126 1 0 "[ . 1 ]" 1
948 1 49 ARG H 1 83 ARG QG 4.000 . 6.000 4.215 2.089 5.112 . 0 0 "[ . 1 ]" 1
949 1 50 ARG H 1 83 ARG QG 4.000 . 6.000 3.834 2.806 5.270 . 0 0 "[ . 1 ]" 1
950 1 84 PHE H 1 84 PHE HA 2.500 . 3.000 2.931 2.809 2.989 . 0 0 "[ . 1 ]" 1
951 1 84 PHE H 1 84 PHE HB3 3.000 . 3.600 3.200 2.682 3.543 . 0 0 "[ . 1 ]" 1
952 1 84 PHE H 1 84 PHE HB2 3.000 . 3.600 3.145 2.538 3.686 0.086 8 0 "[ . 1 ]" 1
953 1 84 PHE H 1 84 PHE QD 3.000 . 6.000 4.221 3.655 4.528 . 0 0 "[ . 1 ]" 1
954 1 84 PHE HA 1 84 PHE HB3 2.500 . 3.000 2.956 2.801 3.030 0.030 2 0 "[ . 1 ]" 1
955 1 84 PHE HA 1 84 PHE HB2 2.500 . 3.000 2.634 2.358 2.913 . 0 0 "[ . 1 ]" 1
956 1 84 PHE HA 1 84 PHE QD 4.000 . 7.400 2.409 2.004 3.097 . 0 0 "[ . 1 ]" 1
957 1 84 PHE HB3 1 84 PHE QD 3.000 . 5.000 2.468 2.305 2.784 . 0 0 "[ . 1 ]" 1
958 1 84 PHE HB2 1 84 PHE QD 3.000 . 5.000 2.560 2.315 2.785 . 0 0 "[ . 1 ]" 1
959 1 84 PHE HA 1 85 VAL H 2.500 . 3.000 2.255 2.142 2.461 . 0 0 "[ . 1 ]" 1
960 1 84 PHE QB 1 85 VAL H 4.000 . 5.000 3.564 2.611 3.901 . 0 0 "[ . 1 ]" 1
961 1 84 PHE QD 1 86 LEU MD1 4.000 . 8.900 5.935 4.309 6.535 . 0 0 "[ . 1 ]" 1
962 1 80 ASP H 1 84 PHE HA 3.000 . 3.600 3.432 2.972 3.650 0.050 1 0 "[ . 1 ]" 1
963 1 84 PHE HB3 1 85 VAL H 4.000 . 5.000 3.867 2.647 4.405 . 0 0 "[ . 1 ]" 1
964 1 48 ILE H 1 84 PHE QD 4.000 . 7.000 5.141 3.604 5.931 . 0 0 "[ . 1 ]" 1
965 1 48 ILE H 1 84 PHE QB 4.000 . 6.000 4.171 3.268 4.648 . 0 0 "[ . 1 ]" 1
966 1 85 VAL H 1 85 VAL HA 2.500 . 3.000 2.966 2.824 3.005 0.005 7 0 "[ . 1 ]" 1
967 1 85 VAL H 1 85 VAL HB 3.000 . 3.600 3.179 2.943 3.672 0.072 8 0 "[ . 1 ]" 1
968 1 85 VAL H 1 85 VAL QG 4.000 . 5.800 2.313 1.843 2.722 . 0 0 "[ . 1 ]" 1
969 1 85 VAL HA 1 85 VAL HB 2.500 . 3.000 2.539 2.412 2.686 . 0 0 "[ . 1 ]" 1
970 1 85 VAL HA 1 85 VAL QG 3.000 . 4.600 2.218 2.029 2.349 . 0 0 "[ . 1 ]" 1
971 1 85 VAL HA 1 86 LEU H 2.500 . 3.000 2.441 2.217 3.366 0.366 8 0 "[ . 1 ]" 1
972 1 85 VAL QG 1 86 LEU H 4.000 . 6.500 1.963 1.618 2.394 . 0 0 "[ . 1 ]" 1
973 1 85 VAL MG1 1 87 GLU H 4.000 . 6.500 5.199 4.619 5.451 . 0 0 "[ . 1 ]" 1
974 1 85 VAL MG2 1 87 GLU H 4.000 . 6.500 4.815 4.122 5.323 . 0 0 "[ . 1 ]" 1
975 1 47 GLU HA 1 85 VAL HA 3.000 . 3.600 2.504 1.848 3.771 0.171 8 0 "[ . 1 ]" 1
976 1 48 ILE H 1 85 VAL HA 3.000 . 3.600 2.818 2.454 3.718 0.118 8 0 "[ . 1 ]" 1
977 1 48 ILE H 1 85 VAL HB 4.000 . 5.000 3.708 2.361 4.912 . 0 0 "[ . 1 ]" 1
978 1 86 LEU H 1 86 LEU HA 2.500 . 3.000 2.909 2.827 2.980 . 0 0 "[ . 1 ]" 1
979 1 86 LEU H 1 86 LEU HB3 3.000 . 3.600 3.169 2.594 3.761 0.161 3 0 "[ . 1 ]" 1
980 1 86 LEU H 1 86 LEU HB2 3.000 . 3.600 3.623 3.195 3.975 0.375 5 0 "[ . 1 ]" 1
981 1 86 LEU H 1 86 LEU MD1 4.000 . 6.000 3.729 1.824 4.702 . 0 0 "[ . 1 ]" 1
982 1 86 LEU H 1 86 LEU MD2 4.000 . 6.000 3.910 3.098 4.531 . 0 0 "[ . 1 ]" 1
983 1 86 LEU HA 1 86 LEU HB3 2.500 . 3.000 2.765 2.281 3.035 0.035 11 0 "[ . 1 ]" 1
984 1 86 LEU HA 1 86 LEU HB2 2.500 . 3.000 2.481 2.338 2.685 . 0 0 "[ . 1 ]" 1
985 1 86 LEU HA 1 86 LEU QD 4.000 . 6.000 2.440 1.722 3.427 . 0 0 "[ . 1 ]" 1
986 1 86 LEU HA 1 87 GLU H 2.500 . 3.000 2.538 2.155 3.223 0.223 10 0 "[ . 1 ]" 1
987 1 86 LEU QB 1 87 GLU H 3.000 . 4.600 2.844 1.621 3.795 . 0 0 "[ . 1 ]" 1
988 1 86 LEU HG 1 87 GLU H 4.000 . 5.000 3.806 2.638 4.454 . 0 0 "[ . 1 ]" 1
989 1 86 LEU MD1 1 87 GLU H 4.000 . 6.500 2.446 1.710 3.189 . 0 0 "[ . 1 ]" 1
990 1 86 LEU MD2 1 87 GLU H 4.000 . 6.500 2.823 1.651 4.344 . 0 0 "[ . 1 ]" 1
991 1 86 LEU QD 1 87 GLU HA 3.000 . 6.500 3.194 2.618 3.824 . 0 0 "[ . 1 ]" 1
992 1 86 LEU QD 1 87 GLU HB3 3.000 . 6.500 4.108 3.067 4.741 . 0 0 "[ . 1 ]" 1
993 1 86 LEU QD 1 87 GLU HB2 3.000 . 6.500 3.875 2.737 4.430 . 0 0 "[ . 1 ]" 1
994 1 86 LEU QD 1 88 TRP H 4.000 . 7.900 4.184 3.824 4.745 . 0 0 "[ . 1 ]" 1
995 1 86 LEU QD 1 88 TRP HD1 4.000 . 6.500 4.679 4.239 4.916 . 0 0 "[ . 1 ]" 1
996 1 77 VAL HA 1 86 LEU HA 4.000 . 5.000 3.420 2.045 4.228 . 0 0 "[ . 1 ]" 1
997 1 76 ASN H 1 86 LEU QD 4.000 . 7.900 3.355 1.591 5.832 . 0 0 "[ . 1 ]" 1
998 1 76 ASN H 1 86 LEU HA 4.000 . 5.000 5.035 4.187 5.212 0.212 12 0 "[ . 1 ]" 1
999 1 87 GLU H 1 87 GLU HA 2.500 . 3.000 2.973 2.945 2.988 . 0 0 "[ . 1 ]" 1
1000 1 87 GLU H 1 87 GLU HB3 3.000 . 3.600 3.389 2.338 3.811 0.211 2 0 "[ . 1 ]" 1
1001 1 87 GLU H 1 87 GLU HB2 3.000 . 3.600 2.906 2.444 3.697 0.097 10 0 "[ . 1 ]" 1
1002 1 87 GLU HA 1 87 GLU HB3 2.500 . 3.000 2.558 2.252 2.982 . 0 0 "[ . 1 ]" 1
1003 1 87 GLU HA 1 87 GLU HB2 2.500 . 3.000 2.804 2.250 3.015 0.015 2 0 "[ . 1 ]" 1
1004 1 87 GLU HA 1 88 TRP H 2.500 . 3.000 2.736 2.414 3.136 0.136 11 0 "[ . 1 ]" 1
1005 1 87 GLU H 1 88 TRP H 4.000 . 5.000 4.316 3.916 4.583 . 0 0 "[ . 1 ]" 1
1006 1 87 GLU HB3 1 88 TRP H 3.000 . 3.600 2.539 1.832 3.847 0.247 10 0 "[ . 1 ]" 1
1007 1 87 GLU HB2 1 88 TRP H 3.000 . 3.600 2.748 1.931 3.848 0.248 7 0 "[ . 1 ]" 1
1008 1 46 LEU H 1 87 GLU HA 3.000 . 3.600 2.295 1.770 3.154 0.030 8 0 "[ . 1 ]" 1
1009 1 46 LEU H 1 87 GLU QB 4.000 . 6.000 3.853 2.715 4.807 . 0 0 "[ . 1 ]" 1
1010 1 45 ARG H 1 87 GLU QB 4.000 . 6.000 4.528 2.426 5.266 . 0 0 "[ . 1 ]" 1
1011 1 45 ARG H 1 87 GLU QG 4.000 . 6.000 4.626 2.719 5.573 . 0 0 "[ . 1 ]" 1
1012 1 44 LYS H 1 87 GLU QB 4.000 . 6.000 5.027 3.834 5.713 . 0 0 "[ . 1 ]" 1
1013 1 88 TRP H 1 88 TRP HA 2.500 . 3.000 2.859 2.748 2.988 . 0 0 "[ . 1 ]" 1
1014 1 88 TRP H 1 88 TRP HB3 2.500 . 3.000 2.596 2.138 3.021 0.021 7 0 "[ . 1 ]" 1
1015 1 88 TRP H 1 88 TRP HB2 2.500 . 3.000 2.704 2.212 3.431 0.431 2 0 "[ . 1 ]" 1
1016 1 88 TRP H 1 88 TRP HD1 4.000 . 5.000 4.361 1.944 4.814 . 0 0 "[ . 1 ]" 1
1017 1 88 TRP HA 1 88 TRP HD1 4.000 . 5.000 2.431 1.781 4.223 0.019 7 0 "[ . 1 ]" 1
1018 1 86 LEU MD1 1 88 TRP H 4.000 . 6.000 4.422 4.003 4.907 . 0 0 "[ . 1 ]" 1
1019 1 88 TRP HA 1 89 LYS H 4.000 . 5.000 2.833 2.181 3.557 . 0 0 "[ . 1 ]" 1
1020 1 45 ARG HA 1 88 TRP H 3.000 . 3.600 2.884 1.882 4.104 0.504 12 1 "[ . 1 +]" 1
1021 1 89 LYS H 1 89 LYS QG 4.000 . 6.000 3.452 2.031 4.408 . 0 0 "[ . 1 ]" 1
1022 1 89 LYS HA 1 90 ASN H 3.000 . 3.600 2.669 2.200 3.584 . 0 0 "[ . 1 ]" 1
1023 1 89 LYS QB 1 90 ASN H 4.000 . 6.000 3.192 1.895 3.851 . 0 0 "[ . 1 ]" 1
1024 1 89 LYS QG 1 90 ASN H 4.000 . 6.000 3.531 1.856 4.696 . 0 0 "[ . 1 ]" 1
1025 1 90 ASN H 1 90 ASN HA 2.500 . 3.000 2.940 2.876 2.988 . 0 0 "[ . 1 ]" 1
1026 1 90 ASN H 1 90 ASN HB3 2.500 . 3.000 2.662 2.368 2.933 . 0 0 "[ . 1 ]" 1
1027 1 90 ASN H 1 90 ASN HB2 2.500 . 3.000 2.627 2.294 2.975 . 0 0 "[ . 1 ]" 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 67
_Distance_constraint_stats_list.Viol_count 194
_Distance_constraint_stats_list.Viol_total 157.722
_Distance_constraint_stats_list.Viol_max 0.388
_Distance_constraint_stats_list.Viol_rms 0.0473
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0163
_Distance_constraint_stats_list.Viol_average_violations_only 0.0678
_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 5 VAL 0.747 0.188 11 0 "[ . 1 ]"
1 6 TYR 1.690 0.159 1 0 "[ . 1 ]"
1 7 ILE 0.210 0.125 4 0 "[ . 1 ]"
1 8 ALA 1.804 0.388 8 0 "[ . 1 ]"
1 9 PHE 0.073 0.046 11 0 "[ . 1 ]"
1 10 GLN 3.010 0.346 8 0 "[ . 1 ]"
1 14 ASN 0.101 0.048 8 0 "[ . 1 ]"
1 15 ALA 0.170 0.046 6 0 "[ . 1 ]"
1 16 ARG 0.032 0.032 7 0 "[ . 1 ]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 ]"
1 18 VAL 0.399 0.082 1 0 "[ . 1 ]"
1 19 VAL 0.197 0.046 6 0 "[ . 1 ]"
1 20 GLU 0.179 0.061 10 0 "[ . 1 ]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 22 ILE 0.581 0.082 1 0 "[ . 1 ]"
1 23 ILE 0.027 0.027 7 0 "[ . 1 ]"
1 24 GLN 0.148 0.061 10 0 "[ . 1 ]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 26 ASN 0.283 0.055 1 0 "[ . 1 ]"
1 38 ILE 0.073 0.046 11 0 "[ . 1 ]"
1 40 ILE 0.210 0.125 4 0 "[ . 1 ]"
1 42 ALA 0.747 0.188 11 0 "[ . 1 ]"
1 46 LEU 1.061 0.286 8 0 "[ . 1 ]"
1 48 ILE 0.460 0.118 7 0 "[ . 1 ]"
1 51 GLU 0.870 0.121 5 0 "[ . 1 ]"
1 52 THR 0.020 0.020 2 0 "[ . 1 ]"
1 53 VAL 0.359 0.101 3 0 "[ . 1 ]"
1 54 GLU 0.154 0.103 11 0 "[ . 1 ]"
1 55 GLU 1.134 0.196 12 0 "[ . 1 ]"
1 56 ASN 1.034 0.344 12 0 "[ . 1 ]"
1 57 LEU 0.359 0.101 3 0 "[ . 1 ]"
1 58 GLY 0.154 0.103 11 0 "[ . 1 ]"
1 59 ARG 0.264 0.196 12 0 "[ . 1 ]"
1 60 ALA 1.014 0.344 12 0 "[ . 1 ]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 64 GLN 0.105 0.059 12 0 "[ . 1 ]"
1 66 MET 0.000 0.000 . 0 "[ . 1 ]"
1 67 LEU 0.105 0.059 12 0 "[ . 1 ]"
1 70 VAL 3.010 0.346 8 0 "[ . 1 ]"
1 72 THR 1.804 0.388 8 0 "[ . 1 ]"
1 74 GLY 1.690 0.159 1 0 "[ . 1 ]"
1 78 ASP 0.243 0.127 8 0 "[ . 1 ]"
1 84 PHE 0.460 0.118 7 0 "[ . 1 ]"
1 85 VAL 0.243 0.127 8 0 "[ . 1 ]"
1 86 LEU 1.061 0.286 8 0 "[ . 1 ]"
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 14 ASN O 1 18 VAL H 1.800 . 2.300 2.245 2.107 2.348 0.048 8 0 "[ . 1 ]" 2
2 1 14 ASN O 1 18 VAL N 2.800 2.400 3.300 3.185 3.054 3.315 0.015 8 0 "[ . 1 ]" 2
3 1 15 ALA O 1 19 VAL H 1.800 . 2.300 2.234 2.093 2.346 0.046 6 0 "[ . 1 ]" 2
4 1 15 ALA O 1 19 VAL N 2.800 2.400 3.300 3.177 2.867 3.308 0.008 6 0 "[ . 1 ]" 2
5 1 16 ARG O 1 20 GLU H 1.800 . 2.300 2.172 2.091 2.332 0.032 7 0 "[ . 1 ]" 2
6 1 16 ARG O 1 20 GLU N 2.800 2.400 3.300 2.933 2.785 3.201 . 0 0 "[ . 1 ]" 2
7 1 17 TYR O 1 21 ALA H 1.800 . 2.300 2.124 2.054 2.216 . 0 0 "[ . 1 ]" 2
8 1 17 TYR O 1 21 ALA N 2.800 2.400 3.300 3.003 2.834 3.081 . 0 0 "[ . 1 ]" 2
9 1 18 VAL O 1 22 ILE H 1.800 . 2.300 2.290 2.089 2.382 0.082 1 0 "[ . 1 ]" 2
10 1 18 VAL O 1 22 ILE N 2.800 2.400 3.300 3.220 3.000 3.303 0.003 4 0 "[ . 1 ]" 2
11 1 19 VAL O 1 23 ILE H 1.800 . 2.300 2.148 2.063 2.327 0.027 7 0 "[ . 1 ]" 2
12 1 19 VAL O 1 23 ILE N 2.800 2.400 3.300 3.063 2.850 3.230 . 0 0 "[ . 1 ]" 2
13 1 20 GLU O 1 24 GLN H 1.800 . 2.300 2.246 2.097 2.361 0.061 10 0 "[ . 1 ]" 2
14 1 20 GLU O 1 24 GLN N 2.800 2.400 3.300 3.181 3.032 3.287 . 0 0 "[ . 1 ]" 2
15 1 21 ALA O 1 25 ASP H 1.800 . 2.600 2.132 2.079 2.227 . 0 0 "[ . 1 ]" 2
16 1 21 ALA O 1 25 ASP N 2.800 2.400 3.600 2.891 2.506 3.099 . 0 0 "[ . 1 ]" 2
17 1 22 ILE O 1 26 ASN H 1.800 . 2.600 2.540 2.076 2.655 0.055 1 0 "[ . 1 ]" 2
18 1 22 ILE O 1 26 ASN N 2.800 2.400 3.600 3.324 2.722 3.540 . 0 0 "[ . 1 ]" 2
19 1 56 ASN O 1 60 ALA H 1.800 . 2.600 2.505 2.109 2.944 0.344 12 0 "[ . 1 ]" 2
20 1 56 ASN O 1 60 ALA N 2.800 2.400 3.600 2.946 2.411 3.673 0.073 12 0 "[ . 1 ]" 2
21 1 51 GLU O 1 55 GLU H 1.800 . 2.300 2.364 2.268 2.421 0.121 5 0 "[ . 1 ]" 2
22 1 51 GLU O 1 55 GLU N 2.800 2.400 3.300 3.251 3.152 3.340 0.040 5 0 "[ . 1 ]" 2
23 1 52 THR O 1 56 ASN H 1.800 . 2.300 2.111 2.035 2.320 0.020 2 0 "[ . 1 ]" 2
24 1 52 THR O 1 56 ASN N 2.800 2.400 3.300 3.035 2.951 3.215 . 0 0 "[ . 1 ]" 2
25 1 53 VAL O 1 57 LEU H 1.800 . 2.300 2.325 2.257 2.401 0.101 3 0 "[ . 1 ]" 2
26 1 53 VAL O 1 57 LEU N 2.800 2.400 3.300 3.171 3.058 3.308 0.008 3 0 "[ . 1 ]" 2
27 1 54 GLU O 1 58 GLY H 1.800 . 2.300 2.220 2.093 2.403 0.103 11 0 "[ . 1 ]" 2
28 1 54 GLU O 1 58 GLY N 2.800 2.400 3.300 3.154 3.040 3.298 . 0 0 "[ . 1 ]" 2
29 1 55 GLU O 1 59 ARG H 1.800 . 2.300 2.284 2.103 2.496 0.196 12 0 "[ . 1 ]" 2
30 1 55 GLU O 1 59 ARG N 2.800 2.400 3.300 2.900 2.724 3.030 . 0 0 "[ . 1 ]" 2
31 1 63 VAL O 1 66 MET H 1.800 . 2.300 2.094 2.087 2.101 . 0 0 "[ . 1 ]" 2
32 1 63 VAL O 1 66 MET N 2.800 2.400 3.300 2.699 2.599 2.837 . 0 0 "[ . 1 ]" 2
33 1 64 GLN O 1 67 LEU H 1.800 . 2.300 2.236 2.090 2.359 0.059 12 0 "[ . 1 ]" 2
34 1 64 GLN O 1 67 LEU N 2.800 2.400 3.300 3.043 2.816 3.190 . 0 0 "[ . 1 ]" 2
35 1 6 TYR O 1 74 GLY H 1.800 . 2.300 2.364 2.224 2.459 0.159 1 0 "[ . 1 ]" 2
36 1 6 TYR O 1 74 GLY N 2.800 2.400 3.300 2.353 2.252 2.392 0.148 8 0 "[ . 1 ]" 2
37 1 6 TYR H 1 74 GLY O 1.800 . 2.300 2.231 2.078 2.382 0.082 12 0 "[ . 1 ]" 2
38 1 6 TYR N 1 74 GLY O 2.800 2.400 3.300 2.887 2.408 3.214 . 0 0 "[ . 1 ]" 2
39 1 8 ALA O 1 72 THR H 1.800 . 2.300 2.253 2.069 2.688 0.388 8 0 "[ . 1 ]" 2
40 1 8 ALA O 1 72 THR N 2.800 2.400 3.300 2.600 2.341 2.932 0.059 8 0 "[ . 1 ]" 2
41 1 8 ALA H 1 72 THR O 1.800 . 2.300 2.217 2.072 2.603 0.303 8 0 "[ . 1 ]" 2
42 1 8 ALA N 1 72 THR O 2.800 2.400 3.300 3.064 2.847 3.582 0.282 8 0 "[ . 1 ]" 2
43 1 10 GLN O 1 70 VAL H 1.800 . 2.300 2.429 2.318 2.646 0.346 8 0 "[ . 1 ]" 2
44 1 10 GLN O 1 70 VAL N 2.800 2.400 3.300 3.006 2.364 3.253 0.036 8 0 "[ . 1 ]" 2
45 1 10 GLN H 1 70 VAL O 1.800 . 2.300 2.359 2.140 2.642 0.342 10 0 "[ . 1 ]" 2
46 1 10 GLN N 1 70 VAL O 2.800 2.400 3.300 3.112 2.531 3.470 0.170 8 0 "[ . 1 ]" 2
47 1 5 VAL H 1 42 ALA O 1.800 . 2.300 2.331 2.118 2.488 0.188 11 0 "[ . 1 ]" 2
48 1 5 VAL N 1 42 ALA O 2.800 2.400 3.300 3.182 3.008 3.402 0.102 11 0 "[ . 1 ]" 2
49 1 5 VAL O 1 42 ALA H 1.800 . 2.300 2.123 2.030 2.327 0.027 2 0 "[ . 1 ]" 2
50 1 5 VAL O 1 42 ALA N 2.800 2.400 3.300 3.043 2.865 3.285 . 0 0 "[ . 1 ]" 2
51 1 7 ILE H 1 40 ILE O 1.800 . 2.300 2.130 2.009 2.354 0.054 8 0 "[ . 1 ]" 2
52 1 7 ILE N 1 40 ILE O 2.800 2.400 3.300 3.054 2.940 3.317 0.017 8 0 "[ . 1 ]" 2
53 1 7 ILE O 1 40 ILE H 1.800 . 2.300 2.089 1.995 2.425 0.125 4 0 "[ . 1 ]" 2
54 1 7 ILE O 1 40 ILE N 2.800 2.400 3.300 2.721 2.527 3.257 . 0 0 "[ . 1 ]" 2
55 1 9 PHE H 1 38 ILE O 1.800 . 2.300 2.114 1.991 2.302 0.002 1 0 "[ . 1 ]" 2
56 1 9 PHE N 1 38 ILE O 2.800 2.400 3.300 3.004 2.752 3.210 . 0 0 "[ . 1 ]" 2
57 1 9 PHE O 1 38 ILE H 1.800 . 2.300 2.171 1.993 2.346 0.046 11 0 "[ . 1 ]" 2
58 1 9 PHE O 1 38 ILE N 2.800 2.400 3.300 3.003 2.736 3.206 . 0 0 "[ . 1 ]" 2
59 1 48 ILE O 1 84 PHE H 1.800 . 2.300 2.267 2.069 2.418 0.118 7 0 "[ . 1 ]" 2
60 1 48 ILE O 1 84 PHE N 2.800 2.400 3.300 3.110 2.739 3.257 . 0 0 "[ . 1 ]" 2
61 1 48 ILE H 1 84 PHE O 1.800 . 2.300 2.175 2.075 2.383 0.083 8 0 "[ . 1 ]" 2
62 1 46 LEU H 1 86 LEU O 1.800 . 2.300 2.185 2.022 2.382 0.082 5 0 "[ . 1 ]" 2
63 1 46 LEU N 1 86 LEU O 2.800 2.400 3.300 2.700 2.381 2.921 0.019 12 0 "[ . 1 ]" 2
64 1 46 LEU O 1 86 LEU H 1.800 . 2.300 2.366 2.263 2.586 0.286 8 0 "[ . 1 ]" 2
65 1 46 LEU O 1 86 LEU N 2.800 2.400 3.300 3.174 2.719 3.369 0.069 12 0 "[ . 1 ]" 2
66 1 78 ASP O 1 85 VAL H 1.800 . 2.300 2.231 2.072 2.427 0.127 8 0 "[ . 1 ]" 2
67 1 78 ASP O 1 85 VAL N 2.800 2.400 3.300 3.077 2.755 3.272 . 0 0 "[ . 1 ]" 2
stop_
save_
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