NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
522701 |
2fj6   |
6976 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2fj6
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 1301
_Distance_constraint_stats_list.Viol_count 281
_Distance_constraint_stats_list.Viol_total 150.567
_Distance_constraint_stats_list.Viol_max 0.432
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0536
_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 LYS 0.177 0.047 6 0 "[ . 1]"
1 3 SER 0.065 0.028 1 0 "[ . 1]"
1 4 PHE 0.000 0.000 . 0 "[ . 1]"
1 5 TYR 0.000 0.000 . 0 "[ . 1]"
1 6 HIS 0.000 0.000 . 0 "[ . 1]"
1 7 TYR 0.149 0.047 6 0 "[ . 1]"
1 8 LEU 0.000 0.000 . 0 "[ . 1]"
1 9 LEU 0.025 0.025 4 0 "[ . 1]"
1 10 LYS 0.053 0.053 9 0 "[ . 1]"
1 11 TYR 2.051 0.256 2 0 "[ . 1]"
1 12 ARG 3.310 0.325 1 0 "[ . 1]"
1 13 HIS 2.000 0.325 1 0 "[ . 1]"
1 14 PRO 0.711 0.118 5 0 "[ . 1]"
1 15 LYS 0.066 0.047 6 0 "[ . 1]"
1 16 PRO 0.853 0.432 9 0 "[ . 1]"
1 17 LYS 0.633 0.432 9 0 "[ . 1]"
1 18 ASP 0.128 0.053 9 0 "[ . 1]"
1 19 SER 0.424 0.075 9 0 "[ . 1]"
1 20 ILE 0.054 0.029 9 0 "[ . 1]"
1 21 SER 0.119 0.063 1 0 "[ . 1]"
1 22 GLU 0.523 0.091 6 0 "[ . 1]"
1 23 PHE 0.164 0.062 2 0 "[ . 1]"
1 24 ALA 0.000 0.000 . 0 "[ . 1]"
1 25 ASN 1.722 0.180 8 0 "[ . 1]"
1 26 GLN 0.000 0.000 . 0 "[ . 1]"
1 27 ALA 0.013 0.013 2 0 "[ . 1]"
1 28 TYR 0.020 0.020 7 0 "[ . 1]"
1 29 GLU 0.979 0.101 2 0 "[ . 1]"
1 30 ASP 0.013 0.013 2 0 "[ . 1]"
1 31 HIS 0.157 0.056 3 0 "[ . 1]"
1 32 SER 0.544 0.123 10 0 "[ . 1]"
1 33 PHE 0.543 0.140 10 0 "[ . 1]"
1 34 PRO 0.048 0.033 10 0 "[ . 1]"
1 35 LYS 0.000 0.000 . 0 "[ . 1]"
1 36 THR 0.000 0.000 . 0 "[ . 1]"
1 37 SER 0.196 0.057 5 0 "[ . 1]"
1 38 THR 1.081 0.153 8 0 "[ . 1]"
1 39 ASP 1.207 0.153 8 0 "[ . 1]"
1 40 TYR 0.000 0.000 . 0 "[ . 1]"
1 41 HIS 0.000 0.000 . 0 "[ . 1]"
1 42 GLU 0.045 0.021 9 0 "[ . 1]"
1 43 ILE 0.163 0.093 3 0 "[ . 1]"
1 44 SER 0.000 0.000 . 0 "[ . 1]"
1 45 SER 0.253 0.064 6 0 "[ . 1]"
1 46 TYR 0.000 0.000 . 0 "[ . 1]"
1 47 LEU 0.000 0.000 . 0 "[ . 1]"
1 48 GLU 0.190 0.076 9 0 "[ . 1]"
1 49 LEU 0.190 0.076 9 0 "[ . 1]"
1 50 ASN 0.000 0.000 . 0 "[ . 1]"
1 51 ALA 0.000 0.000 . 0 "[ . 1]"
1 52 ASP 0.000 0.000 . 0 "[ . 1]"
1 53 TYR 0.000 0.000 . 0 "[ . 1]"
1 54 LEU 0.007 0.007 3 0 "[ . 1]"
1 55 HIS 0.000 0.000 . 0 "[ . 1]"
1 56 THR 0.291 0.128 2 0 "[ . 1]"
1 57 MET 0.000 0.000 . 0 "[ . 1]"
1 58 ALA 0.146 0.051 9 0 "[ . 1]"
1 59 THR 0.430 0.128 2 0 "[ . 1]"
1 60 PHE 0.000 0.000 . 0 "[ . 1]"
1 61 ASP 0.245 0.069 9 0 "[ . 1]"
1 62 GLU 0.199 0.041 3 0 "[ . 1]"
1 63 ALA 0.000 0.000 . 0 "[ . 1]"
1 64 TRP 0.393 0.037 5 0 "[ . 1]"
1 65 ASP 0.199 0.041 3 0 "[ . 1]"
1 66 GLN 0.000 0.000 . 0 "[ . 1]"
1 67 TYR 0.242 0.037 5 0 "[ . 1]"
1 68 GLU 0.162 0.028 2 0 "[ . 1]"
1 69 SER 0.211 0.051 2 0 "[ . 1]"
1 70 GLU 0.437 0.057 9 0 "[ . 1]"
1 71 VAL 0.215 0.057 9 0 "[ . 1]"
1 72 HIS 0.000 0.000 . 0 "[ . 1]"
1 73 GLY 0.000 0.000 . 0 "[ . 1]"
1 74 ARG 1.619 0.225 7 0 "[ . 1]"
1 75 LEU 0.780 0.225 7 0 "[ . 1]"
1 76 GLU 0.368 0.078 6 0 "[ . 1]"
1 77 HIS 0.053 0.053 6 0 "[ . 1]"
1 78 HIS 0.000 0.000 . 0 "[ . 1]"
1 80 HIS 0.000 0.000 . 0 "[ . 1]"
1 81 HIS 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 HA 1 1 MET HG2 4.000 . 5.000 3.172 2.421 3.588 . 0 0 "[ . 1]" 1
2 1 1 MET HA 1 1 MET HG3 4.000 . 5.000 2.876 2.250 3.919 . 0 0 "[ . 1]" 1
3 1 1 MET HA 1 2 LYS H 4.000 . 5.000 2.460 2.199 2.958 . 0 0 "[ . 1]" 1
4 1 1 MET HA 1 2 LYS QB 4.000 . 6.000 4.430 3.740 4.931 . 0 0 "[ . 1]" 1
5 1 1 MET HA 1 2 LYS QD 4.000 . 6.000 4.038 3.313 5.443 . 0 0 "[ . 1]" 1
6 1 1 MET HA 1 71 VAL MG1 4.000 . 6.000 2.393 2.023 3.100 . 0 0 "[ . 1]" 1
7 1 1 MET HA 1 71 VAL MG2 4.000 . 6.000 3.563 2.973 4.661 . 0 0 "[ . 1]" 1
8 1 1 MET HB2 1 38 THR MG 4.000 . 6.000 4.006 2.793 4.986 . 0 0 "[ . 1]" 1
9 1 1 MET HB3 1 38 THR MG 4.000 . 6.000 3.488 2.288 4.708 . 0 0 "[ . 1]" 1
10 1 1 MET HB2 1 71 VAL MG1 4.000 . 6.000 3.977 2.604 4.661 . 0 0 "[ . 1]" 1
11 1 1 MET HB3 1 71 VAL MG1 4.000 . 6.000 4.057 2.321 4.760 . 0 0 "[ . 1]" 1
12 1 1 MET HG2 1 38 THR MG 4.000 . 6.000 3.372 2.420 4.267 . 0 0 "[ . 1]" 1
13 1 1 MET HG3 1 38 THR MG 4.000 . 6.000 3.955 2.513 4.889 . 0 0 "[ . 1]" 1
14 1 1 MET HG2 1 71 VAL MG1 4.000 . 6.000 4.121 3.054 4.830 . 0 0 "[ . 1]" 1
15 1 1 MET HG3 1 71 VAL MG1 4.000 . 6.000 3.229 2.155 3.925 . 0 0 "[ . 1]" 1
16 1 1 MET HG3 1 71 VAL MG2 4.000 . 6.000 4.387 3.570 4.816 . 0 0 "[ . 1]" 1
17 1 1 MET ME 1 71 VAL MG1 4.000 . 7.000 3.971 3.304 4.576 . 0 0 "[ . 1]" 1
18 1 2 LYS HA 1 2 LYS QD 4.000 . 6.000 3.944 3.643 4.373 . 0 0 "[ . 1]" 1
19 1 2 LYS HA 1 3 SER H 4.000 . 5.000 2.486 2.139 3.359 . 0 0 "[ . 1]" 1
20 1 2 LYS QB 1 2 LYS QE 4.000 . 7.000 2.782 2.157 3.591 . 0 0 "[ . 1]" 1
21 1 2 LYS QB 1 3 SER H 4.000 . 6.000 3.231 2.296 3.892 . 0 0 "[ . 1]" 1
22 1 2 LYS QB 1 3 SER QB 4.000 . 7.000 4.235 3.776 5.228 . 0 0 "[ . 1]" 1
23 1 2 LYS QB 1 6 HIS QB 4.000 . 7.000 3.525 2.634 5.025 . 0 0 "[ . 1]" 1
24 1 2 LYS QB 1 7 TYR H 4.000 . 6.000 4.675 4.035 5.171 . 0 0 "[ . 1]" 1
25 1 2 LYS QB 1 67 TYR QE 4.000 . 8.000 4.552 2.597 5.388 . 0 0 "[ . 1]" 1
26 1 2 LYS QB 1 71 VAL MG1 4.000 . 7.000 4.548 2.926 5.000 . 0 0 "[ . 1]" 1
27 1 2 LYS QB 1 71 VAL MG2 4.000 . 7.000 4.432 2.201 5.007 . 0 0 "[ . 1]" 1
28 1 2 LYS HG2 1 3 SER H 4.000 . 5.000 3.889 2.422 4.679 . 0 0 "[ . 1]" 1
29 1 2 LYS HG3 1 3 SER H 4.000 . 5.000 4.363 3.637 5.028 0.028 1 0 "[ . 1]" 1
30 1 2 LYS HG2 1 6 HIS QB 4.000 . 6.000 4.432 3.184 5.128 . 0 0 "[ . 1]" 1
31 1 2 LYS HG3 1 6 HIS QB 4.000 . 6.000 3.600 2.661 4.030 . 0 0 "[ . 1]" 1
32 1 2 LYS HG2 1 7 TYR H 4.000 . 5.000 4.331 3.643 5.010 0.010 4 0 "[ . 1]" 1
33 1 2 LYS HG3 1 7 TYR H 4.000 . 5.000 3.778 3.302 4.748 . 0 0 "[ . 1]" 1
34 1 2 LYS HG2 1 7 TYR HA 4.000 . 5.000 4.866 3.773 5.047 0.047 6 0 "[ . 1]" 1
35 1 2 LYS HG3 1 7 TYR HA 4.000 . 5.000 3.818 3.392 4.847 . 0 0 "[ . 1]" 1
36 1 2 LYS QG 1 7 TYR QD 4.000 . 8.000 3.747 3.337 4.614 . 0 0 "[ . 1]" 1
37 1 2 LYS HG2 1 71 VAL MG2 4.000 . 6.000 3.526 2.790 3.898 . 0 0 "[ . 1]" 1
38 1 2 LYS HG3 1 71 VAL MG2 4.000 . 6.000 4.494 4.026 4.685 . 0 0 "[ . 1]" 1
39 1 2 LYS HD2 1 71 VAL MG1 4.000 . 6.000 4.058 3.200 4.773 . 0 0 "[ . 1]" 1
40 1 2 LYS HD3 1 71 VAL MG1 4.000 . 6.000 3.641 2.979 4.742 . 0 0 "[ . 1]" 1
41 1 2 LYS HD3 1 71 VAL MG2 4.000 . 6.000 2.928 2.476 4.787 . 0 0 "[ . 1]" 1
42 1 2 LYS QE 1 71 VAL MG1 4.000 . 7.000 4.220 2.336 5.111 . 0 0 "[ . 1]" 1
43 1 2 LYS QE 1 71 VAL MG2 4.000 . 7.000 3.446 2.222 4.285 . 0 0 "[ . 1]" 1
44 1 3 SER H 1 3 SER HA 3.000 . 3.500 2.610 2.361 2.824 . 0 0 "[ . 1]" 1
45 1 3 SER H 1 6 HIS QB 4.000 . 6.000 3.936 3.078 4.802 . 0 0 "[ . 1]" 1
46 1 3 SER H 1 38 THR MG 4.000 . 6.000 4.167 3.025 4.794 . 0 0 "[ . 1]" 1
47 1 3 SER HA 1 4 PHE H 4.000 . 5.000 2.172 2.137 2.203 . 0 0 "[ . 1]" 1
48 1 3 SER HA 1 5 TYR H 4.000 . 5.000 3.891 3.533 4.126 . 0 0 "[ . 1]" 1
49 1 3 SER HA 1 37 SER H 4.000 . 5.000 4.754 3.536 5.018 0.018 9 0 "[ . 1]" 1
50 1 3 SER HA 1 38 THR MG 4.000 . 6.000 2.792 2.142 3.278 . 0 0 "[ . 1]" 1
51 1 3 SER QB 1 4 PHE H 4.000 . 6.000 3.466 3.052 3.956 . 0 0 "[ . 1]" 1
52 1 4 PHE H 1 4 PHE HB2 4.000 . 5.000 2.462 2.383 2.589 . 0 0 "[ . 1]" 1
53 1 4 PHE H 1 4 PHE HB3 4.000 . 5.000 2.606 2.485 2.697 . 0 0 "[ . 1]" 1
54 1 4 PHE H 1 4 PHE QD 4.000 . 7.000 4.169 4.146 4.185 . 0 0 "[ . 1]" 1
55 1 4 PHE H 1 5 TYR H 4.000 . 5.000 2.777 2.729 2.830 . 0 0 "[ . 1]" 1
56 1 4 PHE H 1 38 THR MG 4.000 . 6.000 3.127 2.428 3.737 . 0 0 "[ . 1]" 1
57 1 4 PHE H 1 43 ILE MD 4.000 . 6.000 4.608 4.247 5.049 . 0 0 "[ . 1]" 1
58 1 4 PHE H 1 67 TYR QE 4.000 . 7.000 4.599 3.799 5.261 . 0 0 "[ . 1]" 1
59 1 4 PHE HA 1 4 PHE QD 4.000 . 6.000 2.849 2.681 3.063 . 0 0 "[ . 1]" 1
60 1 4 PHE HA 1 5 TYR H 4.000 . 5.000 3.533 3.509 3.561 . 0 0 "[ . 1]" 1
61 1 4 PHE HA 1 7 TYR H 4.000 . 5.000 3.512 3.324 3.682 . 0 0 "[ . 1]" 1
62 1 4 PHE HA 1 7 TYR HB2 4.000 . 5.000 3.746 3.212 4.277 . 0 0 "[ . 1]" 1
63 1 4 PHE HA 1 7 TYR HB3 4.000 . 5.000 2.750 2.523 3.095 . 0 0 "[ . 1]" 1
64 1 4 PHE HA 1 8 LEU H 4.000 . 5.000 3.928 3.685 4.209 . 0 0 "[ . 1]" 1
65 1 4 PHE HA 1 67 TYR QE 4.000 . 7.000 3.121 2.531 3.632 . 0 0 "[ . 1]" 1
66 1 4 PHE QB 1 5 TYR H 4.000 . 6.000 2.617 2.471 2.770 . 0 0 "[ . 1]" 1
67 1 4 PHE HB2 1 43 ILE MD 4.000 . 6.000 3.760 3.344 4.156 . 0 0 "[ . 1]" 1
68 1 4 PHE HB3 1 43 ILE MD 4.000 . 6.000 3.319 3.027 3.617 . 0 0 "[ . 1]" 1
69 1 4 PHE QB 1 33 PHE QD 4.000 . 8.000 4.924 4.295 5.889 . 0 0 "[ . 1]" 1
70 1 4 PHE HB2 1 64 TRP HZ3 4.000 . 5.000 3.486 2.942 4.025 . 0 0 "[ . 1]" 1
71 1 4 PHE HB3 1 64 TRP HZ3 4.000 . 5.000 4.278 3.864 4.583 . 0 0 "[ . 1]" 1
72 1 4 PHE HB2 1 67 TYR QE 4.000 . 7.000 4.282 3.597 4.908 . 0 0 "[ . 1]" 1
73 1 4 PHE HB3 1 67 TYR QE 4.000 . 7.000 5.528 4.930 6.126 . 0 0 "[ . 1]" 1
74 1 4 PHE QD 1 5 TYR H 4.000 . 7.000 3.523 3.357 3.724 . 0 0 "[ . 1]" 1
75 1 4 PHE QD 1 5 TYR QB 4.000 . 8.000 4.016 3.705 4.210 . 0 0 "[ . 1]" 1
76 1 4 PHE QD 1 8 LEU MD1 4.000 . 8.000 4.021 3.740 4.412 . 0 0 "[ . 1]" 1
77 1 4 PHE QD 1 43 ILE MG 4.000 . 8.000 4.364 3.648 4.922 . 0 0 "[ . 1]" 1
78 1 4 PHE QD 1 43 ILE MD 4.000 . 8.000 3.934 3.537 4.218 . 0 0 "[ . 1]" 1
79 1 4 PHE QD 1 33 PHE QE 4.000 . 9.000 3.159 2.511 3.718 . 0 0 "[ . 1]" 1
80 1 4 PHE QD 1 33 PHE HZ 4.000 . 7.000 2.953 2.328 4.180 . 0 0 "[ . 1]" 1
81 1 4 PHE QD 1 67 TYR QD 4.000 . 9.000 3.242 2.728 3.641 . 0 0 "[ . 1]" 1
82 1 4 PHE QE 1 7 TYR QD 4.000 . 9.000 4.206 3.746 4.425 . 0 0 "[ . 1]" 1
83 1 4 PHE QE 1 7 TYR QE 4.000 . 9.000 4.806 3.971 5.247 . 0 0 "[ . 1]" 1
84 1 4 PHE QE 1 8 LEU MD1 4.000 . 8.000 2.721 2.330 3.185 . 0 0 "[ . 1]" 1
85 1 4 PHE QE 1 8 LEU MD2 4.000 . 8.000 2.616 2.286 3.277 . 0 0 "[ . 1]" 1
86 1 4 PHE QE 1 60 PHE QD 4.000 . 9.000 3.874 3.242 4.595 . 0 0 "[ . 1]" 1
87 1 4 PHE QE 1 43 ILE MG 4.000 . 8.000 4.584 4.057 5.132 . 0 0 "[ . 1]" 1
88 1 4 PHE QE 1 63 ALA MB 4.000 . 8.000 3.294 2.894 3.744 . 0 0 "[ . 1]" 1
89 1 4 PHE QE 1 64 TRP HA 4.000 . 7.000 2.611 2.241 3.042 . 0 0 "[ . 1]" 1
90 1 4 PHE QE 1 64 TRP HE3 4.000 . 7.000 3.235 2.568 4.444 . 0 0 "[ . 1]" 1
91 1 4 PHE QE 1 67 TYR HB2 4.000 . 7.000 2.478 2.222 3.220 . 0 0 "[ . 1]" 1
92 1 4 PHE QE 1 67 TYR HB3 4.000 . 7.000 3.072 2.475 3.775 . 0 0 "[ . 1]" 1
93 1 4 PHE HZ 1 8 LEU MD1 4.000 . 6.000 2.894 2.515 3.148 . 0 0 "[ . 1]" 1
94 1 4 PHE HZ 1 60 PHE QD 4.000 . 7.000 3.570 2.845 4.246 . 0 0 "[ . 1]" 1
95 1 4 PHE HZ 1 60 PHE QE 4.000 . 7.000 3.837 3.147 4.397 . 0 0 "[ . 1]" 1
96 1 4 PHE HZ 1 63 ALA MB 4.000 . 6.000 2.451 2.098 2.856 . 0 0 "[ . 1]" 1
97 1 4 PHE HZ 1 64 TRP HA 4.000 . 5.000 4.308 3.653 4.779 . 0 0 "[ . 1]" 1
98 1 5 TYR H 1 5 TYR HB2 4.000 . 5.000 2.514 2.379 2.642 . 0 0 "[ . 1]" 1
99 1 5 TYR H 1 5 TYR HB3 4.000 . 5.000 2.561 2.425 2.705 . 0 0 "[ . 1]" 1
100 1 5 TYR H 1 5 TYR QD 4.000 . 7.000 4.166 4.135 4.185 . 0 0 "[ . 1]" 1
101 1 5 TYR H 1 6 HIS H 4.000 . 5.000 2.693 2.596 2.788 . 0 0 "[ . 1]" 1
102 1 5 TYR H 1 33 PHE QD 4.000 . 7.000 4.476 3.702 5.219 . 0 0 "[ . 1]" 1
103 1 5 TYR H 1 33 PHE QE 4.000 . 7.000 3.375 2.753 4.558 . 0 0 "[ . 1]" 1
104 1 5 TYR HA 1 5 TYR QD 4.000 . 6.000 2.496 2.249 2.913 . 0 0 "[ . 1]" 1
105 1 5 TYR HA 1 6 HIS H 4.000 . 5.000 3.550 3.525 3.568 . 0 0 "[ . 1]" 1
106 1 5 TYR HA 1 8 LEU H 4.000 . 5.000 3.697 3.528 3.848 . 0 0 "[ . 1]" 1
107 1 5 TYR HA 1 8 LEU HB2 4.000 . 5.000 3.234 2.974 3.522 . 0 0 "[ . 1]" 1
108 1 5 TYR HA 1 8 LEU HB3 4.000 . 5.000 2.962 2.569 3.576 . 0 0 "[ . 1]" 1
109 1 5 TYR HA 1 8 LEU MD1 4.000 . 6.000 4.758 4.540 4.935 . 0 0 "[ . 1]" 1
110 1 5 TYR HA 1 8 LEU MD2 4.000 . 6.000 3.535 3.253 3.907 . 0 0 "[ . 1]" 1
111 1 5 TYR HA 1 9 LEU H 4.000 . 5.000 4.324 4.142 4.604 . 0 0 "[ . 1]" 1
112 1 5 TYR HA 1 33 PHE QE 4.000 . 7.000 4.101 3.679 4.413 . 0 0 "[ . 1]" 1
113 1 5 TYR QB 1 6 HIS H 4.000 . 6.000 2.563 2.446 2.722 . 0 0 "[ . 1]" 1
114 1 5 TYR QB 1 35 LYS HA 4.000 . 6.000 2.477 2.157 3.246 . 0 0 "[ . 1]" 1
115 1 5 TYR HB2 1 33 PHE QE 4.000 . 7.000 3.012 2.158 3.808 . 0 0 "[ . 1]" 1
116 1 5 TYR HB3 1 33 PHE QE 4.000 . 7.000 4.401 3.663 5.493 . 0 0 "[ . 1]" 1
117 1 5 TYR QD 1 6 HIS H 4.000 . 7.000 3.698 3.512 4.062 . 0 0 "[ . 1]" 1
118 1 5 TYR QD 1 6 HIS HA 4.000 . 7.000 3.654 3.120 4.032 . 0 0 "[ . 1]" 1
119 1 5 TYR QD 1 9 LEU H 4.000 . 7.000 4.975 4.573 5.267 . 0 0 "[ . 1]" 1
120 1 5 TYR QD 1 9 LEU MD1 4.000 . 8.000 3.086 2.672 3.561 . 0 0 "[ . 1]" 1
121 1 5 TYR QD 1 27 ALA MB 4.000 . 8.000 3.497 2.547 4.253 . 0 0 "[ . 1]" 1
122 1 5 TYR QD 1 35 LYS HA 4.000 . 7.000 4.125 3.608 4.940 . 0 0 "[ . 1]" 1
123 1 5 TYR QD 1 35 LYS QD 4.000 . 8.000 3.215 2.500 4.686 . 0 0 "[ . 1]" 1
124 1 5 TYR QD 1 33 PHE QD 4.000 . 9.000 3.502 2.602 4.492 . 0 0 "[ . 1]" 1
125 1 5 TYR QD 1 33 PHE QE 4.000 . 9.000 4.114 3.512 4.747 . 0 0 "[ . 1]" 1
126 1 5 TYR QE 1 9 LEU MD1 4.000 . 8.000 2.658 2.293 3.099 . 0 0 "[ . 1]" 1
127 1 5 TYR QE 1 9 LEU MD2 4.000 . 8.000 3.879 3.317 4.556 . 0 0 "[ . 1]" 1
128 1 5 TYR QE 1 27 ALA MB 4.000 . 8.000 3.192 2.251 4.093 . 0 0 "[ . 1]" 1
129 1 5 TYR QE 1 28 TYR H 4.000 . 7.000 4.725 4.098 5.512 . 0 0 "[ . 1]" 1
130 1 5 TYR QE 1 28 TYR HA 4.000 . 7.000 3.235 2.240 3.980 . 0 0 "[ . 1]" 1
131 1 5 TYR QE 1 28 TYR QD 4.000 . 9.000 4.537 3.017 5.051 . 0 0 "[ . 1]" 1
132 1 5 TYR QE 1 35 LYS HD2 4.000 . 7.000 4.257 2.989 5.995 . 0 0 "[ . 1]" 1
133 1 5 TYR QE 1 35 LYS HD3 4.000 . 7.000 4.171 3.240 6.326 . 0 0 "[ . 1]" 1
134 1 5 TYR QE 1 35 LYS QE 4.000 . 8.000 4.130 3.076 5.609 . 0 0 "[ . 1]" 1
135 1 6 HIS H 1 6 HIS QB 3.000 . 4.500 2.412 2.278 2.532 . 0 0 "[ . 1]" 1
136 1 6 HIS H 1 7 TYR H 4.000 . 5.000 2.669 2.603 2.723 . 0 0 "[ . 1]" 1
137 1 6 HIS H 1 8 LEU H 4.000 . 5.000 4.115 4.029 4.224 . 0 0 "[ . 1]" 1
138 1 6 HIS H 1 9 LEU H 4.000 . 5.000 4.397 4.306 4.567 . 0 0 "[ . 1]" 1
139 1 6 HIS H 1 9 LEU MD1 4.000 . 6.000 4.513 4.104 4.800 . 0 0 "[ . 1]" 1
140 1 6 HIS HA 1 7 TYR H 4.000 . 5.000 3.568 3.545 3.582 . 0 0 "[ . 1]" 1
141 1 6 HIS HA 1 9 LEU H 4.000 . 5.000 3.040 2.906 3.182 . 0 0 "[ . 1]" 1
142 1 6 HIS HA 1 9 LEU QB 4.000 . 6.000 2.023 1.938 2.184 . 0 0 "[ . 1]" 1
143 1 6 HIS HA 1 9 LEU HG 4.000 . 5.000 3.572 2.887 4.130 . 0 0 "[ . 1]" 1
144 1 6 HIS HA 1 9 LEU MD1 4.000 . 6.000 2.371 2.094 2.745 . 0 0 "[ . 1]" 1
145 1 6 HIS QB 1 7 TYR H 4.000 . 6.000 2.453 2.292 2.650 . 0 0 "[ . 1]" 1
146 1 6 HIS QB 1 7 TYR QB 4.000 . 7.000 3.943 3.822 4.090 . 0 0 "[ . 1]" 1
147 1 6 HIS QB 1 9 LEU H 3.000 . 4.500 4.318 4.275 4.349 . 0 0 "[ . 1]" 1
148 1 6 HIS QB 1 9 LEU MD1 4.000 . 7.000 3.767 3.226 4.050 . 0 0 "[ . 1]" 1
149 1 7 TYR H 1 7 TYR HB2 4.000 . 5.000 2.687 2.613 2.792 . 0 0 "[ . 1]" 1
150 1 7 TYR H 1 7 TYR HB3 4.000 . 5.000 2.427 2.334 2.511 . 0 0 "[ . 1]" 1
151 1 7 TYR H 1 7 TYR QD 4.000 . 7.000 4.170 4.112 4.196 . 0 0 "[ . 1]" 1
152 1 7 TYR H 1 8 LEU H 3.000 . 3.500 2.686 2.613 2.763 . 0 0 "[ . 1]" 1
153 1 7 TYR H 1 8 LEU QB 4.000 . 6.000 4.359 4.283 4.433 . 0 0 "[ . 1]" 1
154 1 7 TYR H 1 9 LEU H 4.000 . 5.000 3.748 3.684 3.838 . 0 0 "[ . 1]" 1
155 1 7 TYR H 1 67 TYR QE 4.000 . 7.000 4.337 4.055 4.838 . 0 0 "[ . 1]" 1
156 1 7 TYR HA 1 7 TYR QD 4.000 . 6.000 2.708 2.247 2.992 . 0 0 "[ . 1]" 1
157 1 7 TYR HA 1 7 TYR QE 4.000 . 6.000 4.635 4.497 4.780 . 0 0 "[ . 1]" 1
158 1 7 TYR HA 1 8 LEU H 4.000 . 5.000 3.534 3.523 3.546 . 0 0 "[ . 1]" 1
159 1 7 TYR HB2 1 8 LEU H 4.000 . 5.000 3.798 3.759 3.866 . 0 0 "[ . 1]" 1
160 1 7 TYR HB3 1 8 LEU H 4.000 . 5.000 2.401 2.353 2.473 . 0 0 "[ . 1]" 1
161 1 7 TYR HB2 1 67 TYR QD 4.000 . 7.000 3.351 2.942 3.688 . 0 0 "[ . 1]" 1
162 1 7 TYR HB3 1 67 TYR QD 4.000 . 7.000 3.091 2.812 3.411 . 0 0 "[ . 1]" 1
163 1 7 TYR HB2 1 67 TYR QE 4.000 . 7.000 2.601 2.201 3.609 . 0 0 "[ . 1]" 1
164 1 7 TYR HB3 1 67 TYR QE 4.000 . 7.000 3.122 2.713 3.763 . 0 0 "[ . 1]" 1
165 1 7 TYR QB 1 71 VAL MG2 4.000 . 7.000 4.228 3.960 4.545 . 0 0 "[ . 1]" 1
166 1 7 TYR QD 1 8 LEU H 4.000 . 7.000 3.037 2.562 3.424 . 0 0 "[ . 1]" 1
167 1 7 TYR QD 1 8 LEU QB 4.000 . 8.000 3.549 3.043 3.926 . 0 0 "[ . 1]" 1
168 1 7 TYR QD 1 67 TYR QD 4.000 . 9.000 2.791 2.364 3.136 . 0 0 "[ . 1]" 1
169 1 7 TYR QD 1 71 VAL MG2 4.000 . 8.000 4.295 3.627 4.950 . 0 0 "[ . 1]" 1
170 1 7 TYR QE 1 10 LYS QD 4.000 . 8.000 4.248 3.565 5.207 . 0 0 "[ . 1]" 1
171 1 7 TYR QE 1 10 LYS QE 4.000 . 8.000 4.757 3.243 6.019 . 0 0 "[ . 1]" 1
172 1 7 TYR QE 1 11 TYR QE 4.000 . 9.000 2.997 2.521 3.847 . 0 0 "[ . 1]" 1
173 1 7 TYR QE 1 20 ILE MD 4.000 . 8.000 3.976 3.264 4.976 . 0 0 "[ . 1]" 1
174 1 7 TYR QE 1 66 GLN HB2 4.000 . 7.000 4.632 3.779 5.792 . 0 0 "[ . 1]" 1
175 1 7 TYR QE 1 66 GLN HB3 4.000 . 7.000 4.229 3.377 4.923 . 0 0 "[ . 1]" 1
176 1 7 TYR QE 1 66 GLN QG 4.000 . 8.000 4.782 3.029 5.898 . 0 0 "[ . 1]" 1
177 1 7 TYR QE 1 67 TYR H 4.000 . 7.000 4.380 3.807 4.619 . 0 0 "[ . 1]" 1
178 1 7 TYR QE 1 70 GLU HB2 4.000 . 7.000 3.767 2.879 5.117 . 0 0 "[ . 1]" 1
179 1 7 TYR QE 1 70 GLU HB3 4.000 . 7.000 3.687 2.981 4.735 . 0 0 "[ . 1]" 1
180 1 7 TYR QE 1 70 GLU HG2 4.000 . 7.000 4.598 4.319 5.262 . 0 0 "[ . 1]" 1
181 1 7 TYR QE 1 70 GLU HG3 4.000 . 7.000 3.221 2.780 3.951 . 0 0 "[ . 1]" 1
182 1 7 TYR QE 1 71 VAL MG2 4.000 . 8.000 4.712 3.933 5.862 . 0 0 "[ . 1]" 1
183 1 8 LEU H 1 8 LEU HB2 4.000 . 5.000 2.233 2.141 2.396 . 0 0 "[ . 1]" 1
184 1 8 LEU H 1 8 LEU HB3 4.000 . 5.000 2.853 2.638 2.979 . 0 0 "[ . 1]" 1
185 1 8 LEU H 1 8 LEU HG 4.000 . 5.000 4.439 4.406 4.472 . 0 0 "[ . 1]" 1
186 1 8 LEU H 1 8 LEU MD1 4.000 . 6.000 3.614 3.342 3.904 . 0 0 "[ . 1]" 1
187 1 8 LEU H 1 8 LEU MD2 4.000 . 6.000 4.290 4.250 4.340 . 0 0 "[ . 1]" 1
188 1 8 LEU H 1 9 LEU H 3.000 . 3.500 2.666 2.653 2.682 . 0 0 "[ . 1]" 1
189 1 8 LEU H 1 10 LYS H 4.000 . 5.000 4.242 4.162 4.291 . 0 0 "[ . 1]" 1
190 1 8 LEU HA 1 8 LEU HG 4.000 . 5.000 2.522 2.435 2.752 . 0 0 "[ . 1]" 1
191 1 8 LEU HA 1 8 LEU MD1 4.000 . 6.000 2.158 2.052 2.324 . 0 0 "[ . 1]" 1
192 1 8 LEU HA 1 8 LEU MD2 4.000 . 6.000 3.758 3.726 3.831 . 0 0 "[ . 1]" 1
193 1 8 LEU HA 1 10 LYS H 4.000 . 5.000 3.746 3.647 3.993 . 0 0 "[ . 1]" 1
194 1 8 LEU HA 1 11 TYR H 4.000 . 5.000 3.482 3.277 3.660 . 0 0 "[ . 1]" 1
195 1 8 LEU HA 1 11 TYR QD 4.000 . 7.000 2.777 2.130 3.423 . 0 0 "[ . 1]" 1
196 1 8 LEU HA 1 11 TYR QE 4.000 . 7.000 4.547 3.646 5.193 . 0 0 "[ . 1]" 1
197 1 8 LEU QB 1 9 LEU H 4.000 . 6.000 2.872 2.798 2.932 . 0 0 "[ . 1]" 1
198 1 8 LEU HG 1 11 TYR QD 4.000 . 7.000 4.139 2.927 5.047 . 0 0 "[ . 1]" 1
199 1 8 LEU MD2 1 9 LEU H 4.000 . 6.000 4.676 4.516 4.802 . 0 0 "[ . 1]" 1
200 1 8 LEU MD1 1 11 TYR H 4.000 . 6.000 4.661 4.293 4.927 . 0 0 "[ . 1]" 1
201 1 8 LEU MD1 1 11 TYR QB 4.000 . 7.000 3.293 2.962 3.703 . 0 0 "[ . 1]" 1
202 1 8 LEU MD1 1 11 TYR QD 4.000 . 8.000 3.367 2.848 4.219 . 0 0 "[ . 1]" 1
203 1 8 LEU MD1 1 23 PHE QD 4.000 . 8.000 2.736 2.344 3.100 . 0 0 "[ . 1]" 1
204 1 8 LEU MD2 1 23 PHE QD 4.000 . 8.000 2.458 2.176 2.868 . 0 0 "[ . 1]" 1
205 1 8 LEU MD2 1 23 PHE QE 4.000 . 8.000 2.782 2.403 3.158 . 0 0 "[ . 1]" 1
206 1 8 LEU MD1 1 24 ALA H 4.000 . 6.000 4.260 3.914 4.661 . 0 0 "[ . 1]" 1
207 1 8 LEU MD2 1 24 ALA H 4.000 . 6.000 4.037 3.848 4.350 . 0 0 "[ . 1]" 1
208 1 8 LEU MD2 1 24 ALA HA 4.000 . 6.000 2.189 2.041 2.492 . 0 0 "[ . 1]" 1
209 1 8 LEU MD1 1 24 ALA MB 4.000 . 7.000 3.247 3.039 3.531 . 0 0 "[ . 1]" 1
210 1 8 LEU MD2 1 24 ALA MB 4.000 . 7.000 3.124 2.742 3.446 . 0 0 "[ . 1]" 1
211 1 8 LEU MD2 1 27 ALA H 4.000 . 6.000 3.970 3.606 4.268 . 0 0 "[ . 1]" 1
212 1 8 LEU MD1 1 63 ALA MB 4.000 . 7.000 3.158 2.982 3.410 . 0 0 "[ . 1]" 1
213 1 8 LEU MD2 1 63 ALA MB 4.000 . 7.000 4.603 4.467 4.732 . 0 0 "[ . 1]" 1
214 1 9 LEU H 1 9 LEU HA 3.000 . 3.500 2.820 2.810 2.829 . 0 0 "[ . 1]" 1
215 1 9 LEU H 1 9 LEU HB2 3.000 . 3.500 2.135 2.095 2.227 . 0 0 "[ . 1]" 1
216 1 9 LEU H 1 9 LEU HB3 3.000 . 3.500 3.343 3.112 3.525 0.025 4 0 "[ . 1]" 1
217 1 9 LEU H 1 9 LEU HG 4.000 . 5.000 3.411 2.905 3.880 . 0 0 "[ . 1]" 1
218 1 9 LEU H 1 9 LEU MD1 4.000 . 6.000 3.920 3.675 4.114 . 0 0 "[ . 1]" 1
219 1 9 LEU H 1 9 LEU MD2 4.000 . 6.000 4.134 3.897 4.269 . 0 0 "[ . 1]" 1
220 1 9 LEU HA 1 9 LEU HG 4.000 . 5.000 2.372 2.256 2.572 . 0 0 "[ . 1]" 1
221 1 9 LEU HA 1 9 LEU MD1 4.000 . 6.000 3.682 3.665 3.712 . 0 0 "[ . 1]" 1
222 1 9 LEU HA 1 9 LEU MD2 4.000 . 6.000 2.128 2.021 2.318 . 0 0 "[ . 1]" 1
223 1 9 LEU HA 1 10 LYS H 4.000 . 5.000 3.463 3.450 3.505 . 0 0 "[ . 1]" 1
224 1 9 LEU HA 1 11 TYR H 4.000 . 5.000 3.684 3.497 3.943 . 0 0 "[ . 1]" 1
225 1 9 LEU HA 1 12 ARG H 4.000 . 5.000 4.477 3.489 4.824 . 0 0 "[ . 1]" 1
226 1 9 LEU HA 1 12 ARG QG 4.000 . 6.000 4.339 2.642 5.152 . 0 0 "[ . 1]" 1
227 1 9 LEU QB 1 10 LYS H 4.000 . 6.000 3.042 2.849 3.105 . 0 0 "[ . 1]" 1
228 1 9 LEU MD2 1 12 ARG H 4.000 . 6.000 4.507 3.816 4.846 . 0 0 "[ . 1]" 1
229 1 9 LEU MD2 1 12 ARG HA 4.000 . 6.000 3.706 3.201 4.803 . 0 0 "[ . 1]" 1
230 1 9 LEU MD2 1 12 ARG QB 4.000 . 7.000 4.408 4.068 4.683 . 0 0 "[ . 1]" 1
231 1 9 LEU MD2 1 12 ARG HG2 4.000 . 6.000 3.686 2.803 4.997 . 0 0 "[ . 1]" 1
232 1 9 LEU MD2 1 12 ARG HG3 4.000 . 6.000 3.987 2.400 4.794 . 0 0 "[ . 1]" 1
233 1 9 LEU MD2 1 12 ARG HD2 4.000 . 6.000 3.601 2.245 4.840 . 0 0 "[ . 1]" 1
234 1 9 LEU MD2 1 12 ARG HD3 4.000 . 6.000 3.671 2.515 4.943 . 0 0 "[ . 1]" 1
235 1 9 LEU MD2 1 28 TYR HA 4.000 . 6.000 4.788 4.587 4.863 . 0 0 "[ . 1]" 1
236 1 9 LEU MD2 1 28 TYR QB 4.000 . 7.000 4.641 4.270 4.938 . 0 0 "[ . 1]" 1
237 1 9 LEU MD1 1 28 TYR QD 4.000 . 8.000 4.891 4.441 5.242 . 0 0 "[ . 1]" 1
238 1 9 LEU MD2 1 28 TYR QD 4.000 . 8.000 2.946 2.807 3.106 . 0 0 "[ . 1]" 1
239 1 9 LEU MD1 1 28 TYR QE 4.000 . 8.000 4.386 3.923 4.898 . 0 0 "[ . 1]" 1
240 1 9 LEU MD2 1 28 TYR QE 4.000 . 8.000 2.661 2.245 3.189 . 0 0 "[ . 1]" 1
241 1 10 LYS H 1 10 LYS HA 3.000 . 3.500 2.856 2.842 2.877 . 0 0 "[ . 1]" 1
242 1 10 LYS H 1 10 LYS HB2 3.000 . 3.500 2.557 2.370 2.652 . 0 0 "[ . 1]" 1
243 1 10 LYS H 1 10 LYS HB3 4.000 . 5.000 2.731 2.434 3.604 . 0 0 "[ . 1]" 1
244 1 10 LYS H 1 10 LYS HG2 4.000 . 5.000 4.216 3.231 4.517 . 0 0 "[ . 1]" 1
245 1 10 LYS H 1 10 LYS HG3 4.000 . 5.000 3.979 2.139 4.479 . 0 0 "[ . 1]" 1
246 1 10 LYS H 1 10 LYS QD 4.000 . 6.000 4.420 3.848 4.719 . 0 0 "[ . 1]" 1
247 1 10 LYS H 1 11 TYR H 3.000 . 3.500 2.515 2.439 2.579 . 0 0 "[ . 1]" 1
248 1 10 LYS H 1 11 TYR QB 4.000 . 6.000 4.390 4.285 4.589 . 0 0 "[ . 1]" 1
249 1 10 LYS HA 1 10 LYS HG2 4.000 . 5.000 3.073 2.375 3.392 . 0 0 "[ . 1]" 1
250 1 10 LYS HA 1 10 LYS HG3 4.000 . 5.000 2.542 2.338 3.192 . 0 0 "[ . 1]" 1
251 1 10 LYS HA 1 10 LYS QD 4.000 . 6.000 3.862 3.638 4.112 . 0 0 "[ . 1]" 1
252 1 10 LYS HA 1 10 LYS QE 4.000 . 6.000 4.479 3.406 5.032 . 0 0 "[ . 1]" 1
253 1 10 LYS HA 1 11 TYR H 4.000 . 5.000 3.425 3.394 3.508 . 0 0 "[ . 1]" 1
254 1 10 LYS HA 1 12 ARG H 4.000 . 5.000 3.593 3.458 3.900 . 0 0 "[ . 1]" 1
255 1 10 LYS HA 1 12 ARG QD 4.000 . 6.000 4.417 3.905 5.092 . 0 0 "[ . 1]" 1
256 1 10 LYS HB2 1 10 LYS QE 4.000 . 6.000 3.394 2.386 4.100 . 0 0 "[ . 1]" 1
257 1 10 LYS HB3 1 10 LYS QE 4.000 . 6.000 3.593 2.158 4.189 . 0 0 "[ . 1]" 1
258 1 10 LYS HB2 1 11 TYR H 4.000 . 5.000 3.900 2.839 4.216 . 0 0 "[ . 1]" 1
259 1 10 LYS HB3 1 11 TYR H 4.000 . 5.000 3.293 3.023 4.025 . 0 0 "[ . 1]" 1
260 1 10 LYS QB 1 11 TYR QD 4.000 . 8.000 3.189 2.530 3.812 . 0 0 "[ . 1]" 1
261 1 10 LYS HG2 1 11 TYR H 4.000 . 5.000 4.404 4.037 4.991 . 0 0 "[ . 1]" 1
262 1 10 LYS HG3 1 11 TYR H 4.000 . 5.000 4.720 4.276 5.053 0.053 9 0 "[ . 1]" 1
263 1 10 LYS QG 1 11 TYR QE 4.000 . 8.000 4.536 3.833 4.955 . 0 0 "[ . 1]" 1
264 1 10 LYS QD 1 11 TYR QE 4.000 . 8.000 4.584 3.770 5.780 . 0 0 "[ . 1]" 1
265 1 10 LYS QE 1 11 TYR QE 4.000 . 8.000 5.017 3.239 6.546 . 0 0 "[ . 1]" 1
266 1 11 TYR H 1 11 TYR HB2 3.000 . 3.500 2.319 2.275 2.389 . 0 0 "[ . 1]" 1
267 1 11 TYR H 1 11 TYR HB3 3.000 . 3.500 3.566 3.535 3.608 0.108 1 0 "[ . 1]" 1
268 1 11 TYR H 1 11 TYR QD 4.000 . 7.000 2.849 2.195 3.454 . 0 0 "[ . 1]" 1
269 1 11 TYR H 1 11 TYR QE 4.000 . 7.000 4.909 4.396 5.233 . 0 0 "[ . 1]" 1
270 1 11 TYR H 1 12 ARG H 2.500 . 2.900 2.969 2.521 3.156 0.256 2 0 "[ . 1]" 1
271 1 11 TYR H 1 12 ARG HA 4.000 . 5.000 4.544 4.454 4.733 . 0 0 "[ . 1]" 1
272 1 11 TYR H 1 24 ALA MB 4.000 . 6.000 3.987 3.689 4.265 . 0 0 "[ . 1]" 1
273 1 11 TYR HA 1 11 TYR QD 4.000 . 6.000 2.683 2.210 3.059 . 0 0 "[ . 1]" 1
274 1 11 TYR HA 1 12 ARG H 3.000 . 3.500 2.794 2.593 3.147 . 0 0 "[ . 1]" 1
275 1 11 TYR HA 1 24 ALA MB 4.000 . 6.000 4.254 3.943 4.642 . 0 0 "[ . 1]" 1
276 1 11 TYR QB 1 11 TYR QE 4.000 . 8.000 3.969 3.962 3.977 . 0 0 "[ . 1]" 1
277 1 11 TYR HB2 1 12 ARG H 4.000 . 5.000 4.213 3.768 4.366 . 0 0 "[ . 1]" 1
278 1 11 TYR HB3 1 12 ARG H 4.000 . 5.000 4.362 4.314 4.405 . 0 0 "[ . 1]" 1
279 1 11 TYR HB2 1 20 ILE MG 4.000 . 6.000 4.771 4.601 4.907 . 0 0 "[ . 1]" 1
280 1 11 TYR HB3 1 20 ILE MG 4.000 . 6.000 3.996 3.714 4.644 . 0 0 "[ . 1]" 1
281 1 11 TYR QB 1 21 SER HA 4.000 . 6.000 3.123 2.228 4.883 . 0 0 "[ . 1]" 1
282 1 11 TYR QB 1 24 ALA H 4.000 . 6.000 4.449 3.966 5.331 . 0 0 "[ . 1]" 1
283 1 11 TYR HB2 1 24 ALA MB 4.000 . 6.000 2.643 2.145 3.329 . 0 0 "[ . 1]" 1
284 1 11 TYR HB3 1 24 ALA MB 4.000 . 6.000 2.487 1.970 3.100 . 0 0 "[ . 1]" 1
285 1 11 TYR QD 1 20 ILE QG 4.000 . 8.000 4.359 3.780 4.914 . 0 0 "[ . 1]" 1
286 1 11 TYR QD 1 20 ILE MG 4.000 . 8.000 3.307 2.557 4.337 . 0 0 "[ . 1]" 1
287 1 11 TYR QD 1 20 ILE MD 4.000 . 8.000 4.244 3.696 4.681 . 0 0 "[ . 1]" 1
288 1 11 TYR QD 1 24 ALA MB 4.000 . 8.000 3.890 3.371 4.467 . 0 0 "[ . 1]" 1
289 1 11 TYR QE 1 20 ILE MG 4.000 . 8.000 3.383 2.438 4.872 . 0 0 "[ . 1]" 1
290 1 11 TYR QE 1 20 ILE MD 4.000 . 8.000 3.683 2.953 4.452 . 0 0 "[ . 1]" 1
291 1 12 ARG H 1 12 ARG HB2 3.000 . 3.500 2.617 2.124 3.253 . 0 0 "[ . 1]" 1
292 1 12 ARG H 1 12 ARG HB3 3.000 . 3.500 3.527 3.258 3.753 0.253 8 0 "[ . 1]" 1
293 1 12 ARG H 1 12 ARG HG2 4.000 . 5.000 3.312 1.820 4.857 . 0 0 "[ . 1]" 1
294 1 12 ARG H 1 12 ARG HG3 4.000 . 5.000 2.872 1.748 4.270 0.052 2 0 "[ . 1]" 1
295 1 12 ARG H 1 12 ARG HD2 4.000 . 5.000 4.408 3.039 5.015 0.015 1 0 "[ . 1]" 1
296 1 12 ARG H 1 12 ARG HD3 4.000 . 5.000 4.079 3.357 4.586 . 0 0 "[ . 1]" 1
297 1 12 ARG H 1 12 ARG HE 4.000 . 5.000 4.344 3.093 5.033 0.033 1 0 "[ . 1]" 1
298 1 12 ARG H 1 13 HIS H 4.000 . 5.000 4.320 2.636 4.640 . 0 0 "[ . 1]" 1
299 1 12 ARG HA 1 13 HIS H 2.500 . 2.900 2.567 2.225 3.225 0.325 1 0 "[ . 1]" 1
300 1 12 ARG HA 1 13 HIS QB 4.000 . 6.000 4.131 3.820 4.807 . 0 0 "[ . 1]" 1
301 1 12 ARG HA 1 14 PRO QD 4.000 . 6.000 3.710 3.166 4.770 . 0 0 "[ . 1]" 1
302 1 12 ARG HA 1 24 ALA MB 4.000 . 6.000 3.993 3.026 4.516 . 0 0 "[ . 1]" 1
303 1 12 ARG HB2 1 12 ARG HE 4.000 . 5.000 2.778 1.889 4.209 . 0 0 "[ . 1]" 1
304 1 12 ARG HB3 1 12 ARG HE 4.000 . 5.000 3.099 1.862 4.613 . 0 0 "[ . 1]" 1
305 1 12 ARG HB2 1 13 HIS H 4.000 . 5.000 3.598 2.219 4.355 . 0 0 "[ . 1]" 1
306 1 12 ARG HB3 1 13 HIS H 4.000 . 5.000 2.907 1.755 4.339 0.045 6 0 "[ . 1]" 1
307 1 12 ARG HB2 1 14 PRO QB 4.000 . 6.000 4.591 3.716 5.516 . 0 0 "[ . 1]" 1
308 1 12 ARG HB3 1 14 PRO QB 4.000 . 6.000 4.223 3.344 5.444 . 0 0 "[ . 1]" 1
309 1 12 ARG QB 1 14 PRO QG 4.000 . 7.000 3.311 2.935 4.403 . 0 0 "[ . 1]" 1
310 1 12 ARG HE 1 12 ARG HG2 4.000 . 5.000 3.152 2.468 3.618 . 0 0 "[ . 1]" 1
311 1 12 ARG HE 1 12 ARG HG3 4.000 . 5.000 2.873 2.138 3.599 . 0 0 "[ . 1]" 1
312 1 12 ARG HG2 1 13 HIS H 4.000 . 5.000 4.236 2.668 5.128 0.128 1 0 "[ . 1]" 1
313 1 12 ARG HG3 1 13 HIS H 4.000 . 5.000 4.094 2.245 5.106 0.106 5 0 "[ . 1]" 1
314 1 12 ARG QD 1 14 PRO QD 4.000 . 7.000 4.327 3.669 5.368 . 0 0 "[ . 1]" 1
315 1 12 ARG QD 1 28 TYR QE 4.000 . 8.000 4.573 3.169 6.150 . 0 0 "[ . 1]" 1
316 1 12 ARG HE 1 14 PRO QD 4.000 . 6.000 4.065 2.988 4.879 . 0 0 "[ . 1]" 1
317 1 13 HIS H 1 13 HIS HA 3.000 . 3.500 2.750 2.336 2.888 . 0 0 "[ . 1]" 1
318 1 13 HIS H 1 13 HIS HB2 4.000 . 5.000 3.439 2.914 3.992 . 0 0 "[ . 1]" 1
319 1 13 HIS H 1 13 HIS HB3 4.000 . 5.000 2.850 2.066 3.931 . 0 0 "[ . 1]" 1
320 1 13 HIS H 1 14 PRO HD2 4.000 . 5.000 2.783 2.010 3.581 . 0 0 "[ . 1]" 1
321 1 13 HIS H 1 14 PRO HD3 4.000 . 5.000 2.463 1.699 3.203 0.101 8 0 "[ . 1]" 1
322 1 13 HIS H 1 24 ALA MB 4.000 . 6.000 4.350 3.003 4.897 . 0 0 "[ . 1]" 1
323 1 13 HIS H 1 25 ASN HD21 4.000 . 5.000 4.904 4.309 5.061 0.061 7 0 "[ . 1]" 1
324 1 13 HIS H 1 25 ASN HD22 4.000 . 5.000 4.724 2.948 5.038 0.038 8 0 "[ . 1]" 1
325 1 13 HIS HB2 1 14 PRO HD2 4.000 . 5.000 4.640 3.301 5.047 0.047 5 0 "[ . 1]" 1
326 1 13 HIS HB2 1 14 PRO HD3 4.000 . 5.000 4.201 2.323 5.028 0.028 2 0 "[ . 1]" 1
327 1 13 HIS HB3 1 14 PRO HD2 4.000 . 5.000 4.245 3.081 5.051 0.051 8 0 "[ . 1]" 1
328 1 13 HIS HB3 1 14 PRO HD3 4.000 . 5.000 3.746 1.993 5.014 0.014 1 0 "[ . 1]" 1
329 1 13 HIS QB 1 16 PRO QB 4.000 . 7.000 4.662 3.958 5.047 . 0 0 "[ . 1]" 1
330 1 13 HIS QB 1 25 ASN HA 4.000 . 6.000 2.646 1.809 5.216 . 0 0 "[ . 1]" 1
331 1 13 HIS QB 1 25 ASN QB 4.000 . 7.000 3.190 2.467 4.646 . 0 0 "[ . 1]" 1
332 1 13 HIS QB 1 25 ASN HD21 4.000 . 6.000 2.380 1.620 3.108 0.180 8 0 "[ . 1]" 1
333 1 13 HIS QB 1 25 ASN HD22 4.000 . 6.000 2.839 2.053 3.708 . 0 0 "[ . 1]" 1
334 1 14 PRO HA 1 15 LYS H 4.000 . 5.000 2.654 2.148 3.480 . 0 0 "[ . 1]" 1
335 1 14 PRO HA 1 25 ASN HD21 4.000 . 5.000 4.933 3.991 5.118 0.118 5 0 "[ . 1]" 1
336 1 14 PRO HA 1 25 ASN HD22 4.000 . 5.000 4.602 3.611 4.972 . 0 0 "[ . 1]" 1
337 1 14 PRO HB2 1 15 LYS H 4.000 . 5.000 3.640 1.902 4.318 . 0 0 "[ . 1]" 1
338 1 14 PRO HB3 1 15 LYS H 4.000 . 5.000 3.898 3.335 4.682 . 0 0 "[ . 1]" 1
339 1 14 PRO QG 1 15 LYS H 4.000 . 6.000 3.976 1.753 4.813 0.047 6 0 "[ . 1]" 1
340 1 14 PRO QD 1 15 LYS H 4.000 . 6.000 4.158 2.912 5.013 . 0 0 "[ . 1]" 1
341 1 15 LYS H 1 16 PRO HD2 4.000 . 5.000 3.502 2.456 4.526 . 0 0 "[ . 1]" 1
342 1 15 LYS H 1 16 PRO HD3 4.000 . 5.000 2.758 2.156 3.939 . 0 0 "[ . 1]" 1
343 1 16 PRO HA 1 17 LYS H 2.500 . 2.900 2.388 2.155 3.332 0.432 9 0 "[ . 1]" 1
344 1 16 PRO HA 1 17 LYS QB 4.000 . 6.000 4.403 4.128 4.613 . 0 0 "[ . 1]" 1
345 1 16 PRO HA 1 17 LYS QG 4.000 . 6.000 3.772 3.172 4.468 . 0 0 "[ . 1]" 1
346 1 16 PRO HA 1 18 ASP H 4.000 . 5.000 4.287 3.259 5.010 0.010 3 0 "[ . 1]" 1
347 1 16 PRO HB2 1 17 LYS H 4.000 . 5.000 3.158 1.751 4.022 0.049 9 0 "[ . 1]" 1
348 1 16 PRO HB3 1 17 LYS H 4.000 . 5.000 3.647 3.103 4.380 . 0 0 "[ . 1]" 1
349 1 16 PRO QB 1 18 ASP H 4.000 . 6.000 4.646 3.181 5.372 . 0 0 "[ . 1]" 1
350 1 16 PRO HB2 1 21 SER QB 4.000 . 6.000 3.602 2.475 5.042 . 0 0 "[ . 1]" 1
351 1 16 PRO HB3 1 21 SER QB 4.000 . 6.000 3.285 2.316 4.035 . 0 0 "[ . 1]" 1
352 1 16 PRO HB2 1 22 GLU H 4.000 . 5.000 4.056 3.251 5.022 0.022 1 0 "[ . 1]" 1
353 1 16 PRO HB3 1 22 GLU H 4.000 . 5.000 4.188 3.562 4.870 . 0 0 "[ . 1]" 1
354 1 16 PRO HB2 1 22 GLU HA 4.000 . 5.000 3.140 2.662 3.846 . 0 0 "[ . 1]" 1
355 1 16 PRO HB3 1 22 GLU HA 4.000 . 5.000 2.892 2.248 3.949 . 0 0 "[ . 1]" 1
356 1 16 PRO QB 1 22 GLU QG 4.000 . 7.000 2.520 2.011 4.168 . 0 0 "[ . 1]" 1
357 1 16 PRO HB2 1 25 ASN HD22 4.000 . 5.000 4.202 3.218 4.999 . 0 0 "[ . 1]" 1
358 1 16 PRO HB3 1 25 ASN HD22 4.000 . 5.000 2.735 1.808 3.736 . 0 0 "[ . 1]" 1
359 1 16 PRO HG2 1 22 GLU HA 4.000 . 5.000 4.399 3.627 5.006 0.006 2 0 "[ . 1]" 1
360 1 16 PRO HG3 1 22 GLU HA 4.000 . 5.000 3.797 2.931 4.494 . 0 0 "[ . 1]" 1
361 1 16 PRO QG 1 22 GLU QG 4.000 . 7.000 3.962 3.297 5.517 . 0 0 "[ . 1]" 1
362 1 16 PRO HG2 1 25 ASN HD21 4.000 . 5.000 4.660 3.786 4.982 . 0 0 "[ . 1]" 1
363 1 16 PRO HG2 1 25 ASN HD22 4.000 . 5.000 4.083 3.514 4.531 . 0 0 "[ . 1]" 1
364 1 16 PRO HG3 1 25 ASN HD21 4.000 . 5.000 2.984 2.084 3.276 . 0 0 "[ . 1]" 1
365 1 16 PRO HG3 1 25 ASN HD22 4.000 . 5.000 2.503 1.939 3.077 . 0 0 "[ . 1]" 1
366 1 16 PRO HD2 1 25 ASN HD21 4.000 . 5.000 4.865 4.356 5.121 0.121 9 0 "[ . 1]" 1
367 1 16 PRO HD2 1 25 ASN HD22 4.000 . 5.000 4.189 3.769 4.828 . 0 0 "[ . 1]" 1
368 1 16 PRO HD3 1 25 ASN HD21 4.000 . 5.000 3.422 2.808 3.843 . 0 0 "[ . 1]" 1
369 1 16 PRO HD3 1 25 ASN HD22 4.000 . 5.000 2.633 2.098 3.255 . 0 0 "[ . 1]" 1
370 1 17 LYS H 1 17 LYS HB2 4.000 . 5.000 3.178 2.451 3.975 . 0 0 "[ . 1]" 1
371 1 17 LYS H 1 17 LYS HB3 4.000 . 5.000 3.736 3.313 4.098 . 0 0 "[ . 1]" 1
372 1 17 LYS H 1 17 LYS QG 4.000 . 6.000 2.763 2.168 3.771 . 0 0 "[ . 1]" 1
373 1 17 LYS H 1 17 LYS QD 4.000 . 6.000 4.368 3.195 5.118 . 0 0 "[ . 1]" 1
374 1 17 LYS H 1 17 LYS QE 4.000 . 6.000 4.389 3.569 4.985 . 0 0 "[ . 1]" 1
375 1 17 LYS H 1 18 ASP H 2.500 . 2.900 2.398 1.862 2.953 0.053 9 0 "[ . 1]" 1
376 1 17 LYS H 1 21 SER QB 4.000 . 6.000 2.369 1.737 4.545 0.063 1 0 "[ . 1]" 1
377 1 17 LYS HA 1 17 LYS QD 4.000 . 6.000 4.055 3.461 4.530 . 0 0 "[ . 1]" 1
378 1 17 LYS HA 1 18 ASP H 4.000 . 5.000 3.547 3.458 3.580 . 0 0 "[ . 1]" 1
379 1 17 LYS QB 1 17 LYS QE 4.000 . 7.000 2.644 2.031 3.723 . 0 0 "[ . 1]" 1
380 1 17 LYS HB2 1 18 ASP H 4.000 . 5.000 2.644 1.809 3.689 . 0 0 "[ . 1]" 1
381 1 17 LYS HB3 1 18 ASP H 4.000 . 5.000 3.403 2.564 4.126 . 0 0 "[ . 1]" 1
382 1 17 LYS QG 1 18 ASP H 4.000 . 6.000 3.280 1.808 4.085 . 0 0 "[ . 1]" 1
383 1 17 LYS QE 1 21 SER QB 4.000 . 7.000 5.138 4.106 5.615 . 0 0 "[ . 1]" 1
384 1 18 ASP H 1 18 ASP HA 2.500 . 2.900 2.899 2.887 2.909 0.009 9 0 "[ . 1]" 1
385 1 18 ASP H 1 18 ASP HB2 4.000 . 5.000 2.533 2.250 2.727 . 0 0 "[ . 1]" 1
386 1 18 ASP H 1 18 ASP HB3 4.000 . 5.000 3.110 2.458 3.631 . 0 0 "[ . 1]" 1
387 1 18 ASP H 1 19 SER H 4.000 . 5.000 4.603 4.565 4.621 . 0 0 "[ . 1]" 1
388 1 18 ASP H 1 21 SER H 4.000 . 5.000 3.806 3.509 4.158 . 0 0 "[ . 1]" 1
389 1 18 ASP H 1 21 SER QB 4.000 . 6.000 2.611 2.127 3.293 . 0 0 "[ . 1]" 1
390 1 18 ASP H 1 22 GLU QG 4.000 . 6.000 4.294 3.393 5.065 . 0 0 "[ . 1]" 1
391 1 18 ASP HA 1 19 SER H 2.500 . 2.900 2.360 2.246 2.477 . 0 0 "[ . 1]" 1
392 1 18 ASP HB2 1 19 SER H 4.000 . 5.000 3.802 3.399 4.138 . 0 0 "[ . 1]" 1
393 1 18 ASP HB3 1 19 SER H 4.000 . 5.000 3.083 2.290 3.806 . 0 0 "[ . 1]" 1
394 1 18 ASP HB2 1 20 ILE H 4.000 . 5.000 3.996 3.061 4.711 . 0 0 "[ . 1]" 1
395 1 18 ASP HB3 1 20 ILE H 4.000 . 5.000 3.167 2.834 3.599 . 0 0 "[ . 1]" 1
396 1 18 ASP QB 1 20 ILE MG 4.000 . 7.000 2.362 2.103 2.958 . 0 0 "[ . 1]" 1
397 1 18 ASP HB2 1 21 SER H 4.000 . 5.000 3.411 2.479 4.433 . 0 0 "[ . 1]" 1
398 1 18 ASP HB3 1 21 SER H 4.000 . 5.000 3.069 2.396 4.020 . 0 0 "[ . 1]" 1
399 1 19 SER H 1 19 SER HB2 3.000 . 3.500 2.880 2.247 3.567 0.067 2 0 "[ . 1]" 1
400 1 19 SER H 1 19 SER HB3 3.000 . 3.500 2.989 2.219 3.575 0.075 9 0 "[ . 1]" 1
401 1 19 SER H 1 20 ILE H 3.000 . 3.500 2.818 2.776 2.854 . 0 0 "[ . 1]" 1
402 1 19 SER H 1 20 ILE HB 4.000 . 5.000 4.917 4.699 5.029 0.029 9 0 "[ . 1]" 1
403 1 19 SER H 1 20 ILE MG 4.000 . 6.000 4.437 4.218 4.882 . 0 0 "[ . 1]" 1
404 1 19 SER H 1 21 SER H 4.000 . 5.000 4.153 3.975 4.291 . 0 0 "[ . 1]" 1
405 1 19 SER H 1 22 GLU QG 4.000 . 6.000 4.198 3.954 4.399 . 0 0 "[ . 1]" 1
406 1 19 SER HA 1 20 ILE H 4.000 . 5.000 3.554 3.547 3.565 . 0 0 "[ . 1]" 1
407 1 19 SER HA 1 22 GLU H 4.000 . 5.000 3.537 3.342 3.770 . 0 0 "[ . 1]" 1
408 1 19 SER HA 1 22 GLU QB 4.000 . 6.000 3.160 2.588 4.222 . 0 0 "[ . 1]" 1
409 1 19 SER HA 1 22 GLU QG 4.000 . 6.000 2.482 2.174 3.212 . 0 0 "[ . 1]" 1
410 1 19 SER HA 1 23 PHE H 4.000 . 5.000 4.340 4.145 4.504 . 0 0 "[ . 1]" 1
411 1 19 SER QB 1 20 ILE H 3.000 . 4.500 2.786 2.449 3.338 . 0 0 "[ . 1]" 1
412 1 19 SER HB2 1 59 THR MG 4.000 . 6.000 3.600 2.604 4.738 . 0 0 "[ . 1]" 1
413 1 19 SER HB3 1 59 THR MG 4.000 . 6.000 3.594 2.825 4.333 . 0 0 "[ . 1]" 1
414 1 20 ILE H 1 20 ILE HA 3.000 . 3.500 2.827 2.810 2.839 . 0 0 "[ . 1]" 1
415 1 20 ILE H 1 20 ILE HB 2.500 . 2.900 2.268 2.122 2.351 . 0 0 "[ . 1]" 1
416 1 20 ILE H 1 20 ILE HG12 4.000 . 5.000 4.568 4.520 4.601 . 0 0 "[ . 1]" 1
417 1 20 ILE H 1 20 ILE HG13 4.000 . 5.000 4.170 3.866 4.283 . 0 0 "[ . 1]" 1
418 1 20 ILE H 1 20 ILE MG 4.000 . 6.000 2.565 2.367 2.981 . 0 0 "[ . 1]" 1
419 1 20 ILE H 1 20 ILE MD 4.000 . 6.000 4.186 4.074 4.238 . 0 0 "[ . 1]" 1
420 1 20 ILE H 1 21 SER H 3.000 . 3.500 2.629 2.547 2.707 . 0 0 "[ . 1]" 1
421 1 20 ILE H 1 22 GLU H 4.000 . 5.000 4.264 3.968 4.512 . 0 0 "[ . 1]" 1
422 1 20 ILE H 1 59 THR MG 4.000 . 6.000 3.726 3.079 4.528 . 0 0 "[ . 1]" 1
423 1 20 ILE HA 1 20 ILE HG12 4.000 . 5.000 2.881 2.623 3.027 . 0 0 "[ . 1]" 1
424 1 20 ILE HA 1 20 ILE HG13 4.000 . 5.000 2.238 2.171 2.298 . 0 0 "[ . 1]" 1
425 1 20 ILE HA 1 20 ILE MD 4.000 . 6.000 3.657 3.583 3.702 . 0 0 "[ . 1]" 1
426 1 20 ILE HA 1 21 SER H 4.000 . 5.000 3.525 3.501 3.547 . 0 0 "[ . 1]" 1
427 1 20 ILE HA 1 23 PHE H 4.000 . 5.000 3.485 3.393 3.630 . 0 0 "[ . 1]" 1
428 1 20 ILE HA 1 23 PHE HB2 4.000 . 5.000 3.273 3.057 3.537 . 0 0 "[ . 1]" 1
429 1 20 ILE HA 1 23 PHE HB3 4.000 . 5.000 2.924 2.653 3.412 . 0 0 "[ . 1]" 1
430 1 20 ILE HA 1 23 PHE QD 4.000 . 7.000 4.483 3.991 4.881 . 0 0 "[ . 1]" 1
431 1 20 ILE HA 1 24 ALA H 4.000 . 5.000 4.354 3.905 4.632 . 0 0 "[ . 1]" 1
432 1 20 ILE HA 1 59 THR MG 4.000 . 6.000 2.436 2.049 3.017 . 0 0 "[ . 1]" 1
433 1 20 ILE HB 1 21 SER H 4.000 . 5.000 3.671 3.455 3.758 . 0 0 "[ . 1]" 1
434 1 20 ILE HB 1 59 THR MG 4.000 . 6.000 3.729 3.205 4.370 . 0 0 "[ . 1]" 1
435 1 20 ILE QG 1 21 SER H 4.000 . 6.000 4.101 3.904 4.374 . 0 0 "[ . 1]" 1
436 1 20 ILE HG12 1 23 PHE QD 4.000 . 7.000 4.696 3.970 5.408 . 0 0 "[ . 1]" 1
437 1 20 ILE HG13 1 23 PHE QD 4.000 . 7.000 4.680 3.895 5.153 . 0 0 "[ . 1]" 1
438 1 20 ILE HG12 1 59 THR MG 4.000 . 6.000 4.251 3.480 4.909 . 0 0 "[ . 1]" 1
439 1 20 ILE HG13 1 59 THR MG 4.000 . 6.000 3.055 2.356 3.669 . 0 0 "[ . 1]" 1
440 1 20 ILE QG 1 63 ALA MB 4.000 . 7.000 2.583 2.446 2.981 . 0 0 "[ . 1]" 1
441 1 20 ILE MG 1 21 SER H 4.000 . 6.000 1.945 1.775 2.195 0.025 9 0 "[ . 1]" 1
442 1 20 ILE MG 1 21 SER HA 4.000 . 6.000 2.934 2.849 2.985 . 0 0 "[ . 1]" 1
443 1 20 ILE MG 1 22 GLU H 4.000 . 6.000 4.251 4.002 4.449 . 0 0 "[ . 1]" 1
444 1 20 ILE MG 1 23 PHE H 4.000 . 6.000 4.791 4.730 4.870 . 0 0 "[ . 1]" 1
445 1 20 ILE MG 1 24 ALA H 4.000 . 6.000 4.622 3.968 4.861 . 0 0 "[ . 1]" 1
446 1 20 ILE MD 1 21 SER H 4.000 . 6.000 4.767 4.582 4.878 . 0 0 "[ . 1]" 1
447 1 20 ILE MD 1 59 THR MG 4.000 . 7.000 4.036 3.570 4.592 . 0 0 "[ . 1]" 1
448 1 20 ILE MD 1 62 GLU QB 4.000 . 7.000 4.430 4.078 4.672 . 0 0 "[ . 1]" 1
449 1 20 ILE MD 1 62 GLU HG2 4.000 . 6.000 4.136 3.193 4.764 . 0 0 "[ . 1]" 1
450 1 20 ILE MD 1 62 GLU HG3 4.000 . 6.000 4.526 3.809 4.862 . 0 0 "[ . 1]" 1
451 1 20 ILE MD 1 63 ALA H 4.000 . 6.000 4.214 3.935 4.569 . 0 0 "[ . 1]" 1
452 1 20 ILE MD 1 63 ALA HA 4.000 . 6.000 2.324 2.157 2.590 . 0 0 "[ . 1]" 1
453 1 20 ILE MD 1 66 GLN H 4.000 . 6.000 4.711 4.393 4.994 . 0 0 "[ . 1]" 1
454 1 20 ILE MD 1 66 GLN HB2 4.000 . 6.000 3.424 2.931 3.712 . 0 0 "[ . 1]" 1
455 1 20 ILE MD 1 66 GLN HB3 4.000 . 6.000 3.728 2.972 4.438 . 0 0 "[ . 1]" 1
456 1 20 ILE MD 1 66 GLN HG2 4.000 . 6.000 3.901 3.159 4.780 . 0 0 "[ . 1]" 1
457 1 20 ILE MD 1 66 GLN HG3 4.000 . 6.000 3.620 2.660 4.728 . 0 0 "[ . 1]" 1
458 1 20 ILE MD 1 66 GLN HE21 4.000 . 6.000 3.618 3.252 4.828 . 0 0 "[ . 1]" 1
459 1 20 ILE MD 1 66 GLN HE22 4.000 . 6.000 4.788 4.365 5.011 . 0 0 "[ . 1]" 1
460 1 21 SER H 1 21 SER HA 3.000 . 3.500 2.826 2.815 2.835 . 0 0 "[ . 1]" 1
461 1 21 SER H 1 21 SER QB 3.000 . 4.500 2.412 2.107 2.703 . 0 0 "[ . 1]" 1
462 1 21 SER H 1 22 GLU H 3.000 . 3.500 2.690 2.594 2.789 . 0 0 "[ . 1]" 1
463 1 21 SER H 1 22 GLU QB 4.000 . 6.000 4.812 4.544 5.152 . 0 0 "[ . 1]" 1
464 1 21 SER H 1 22 GLU HG2 4.000 . 5.000 4.590 3.764 4.973 . 0 0 "[ . 1]" 1
465 1 21 SER H 1 22 GLU HG3 4.000 . 5.000 4.540 3.850 5.029 0.029 9 0 "[ . 1]" 1
466 1 21 SER H 1 24 ALA MB 4.000 . 6.000 4.787 4.664 4.874 . 0 0 "[ . 1]" 1
467 1 21 SER HA 1 24 ALA H 4.000 . 5.000 3.391 3.153 3.555 . 0 0 "[ . 1]" 1
468 1 21 SER HA 1 24 ALA MB 4.000 . 6.000 2.684 2.453 2.801 . 0 0 "[ . 1]" 1
469 1 21 SER HA 1 25 ASN H 4.000 . 5.000 4.481 3.912 4.688 . 0 0 "[ . 1]" 1
470 1 21 SER QB 1 22 GLU H 4.000 . 6.000 2.645 2.321 3.424 . 0 0 "[ . 1]" 1
471 1 21 SER QB 1 24 ALA MB 4.000 . 7.000 3.984 3.509 4.363 . 0 0 "[ . 1]" 1
472 1 22 GLU H 1 22 GLU HA 3.000 . 3.500 2.810 2.799 2.823 . 0 0 "[ . 1]" 1
473 1 22 GLU H 1 22 GLU QB 3.000 . 4.500 2.589 2.393 2.707 . 0 0 "[ . 1]" 1
474 1 22 GLU H 1 22 GLU HG2 4.000 . 5.000 2.295 1.805 2.531 . 0 0 "[ . 1]" 1
475 1 22 GLU H 1 22 GLU HG3 4.000 . 5.000 2.510 1.873 3.020 . 0 0 "[ . 1]" 1
476 1 22 GLU H 1 23 PHE H 3.000 . 3.500 2.680 2.636 2.706 . 0 0 "[ . 1]" 1
477 1 22 GLU H 1 23 PHE HB2 4.000 . 5.000 4.995 4.902 5.062 0.062 2 0 "[ . 1]" 1
478 1 22 GLU H 1 23 PHE HB3 4.000 . 5.000 4.936 4.801 5.028 0.028 8 0 "[ . 1]" 1
479 1 22 GLU H 1 24 ALA H 4.000 . 5.000 4.171 4.057 4.298 . 0 0 "[ . 1]" 1
480 1 22 GLU H 1 24 ALA MB 4.000 . 6.000 4.776 4.646 4.868 . 0 0 "[ . 1]" 1
481 1 22 GLU HA 1 22 GLU HG2 4.000 . 5.000 2.622 2.359 3.655 . 0 0 "[ . 1]" 1
482 1 22 GLU HA 1 22 GLU HG3 4.000 . 5.000 3.628 3.478 3.762 . 0 0 "[ . 1]" 1
483 1 22 GLU HA 1 23 PHE H 4.000 . 5.000 3.532 3.520 3.540 . 0 0 "[ . 1]" 1
484 1 22 GLU HA 1 24 ALA H 4.000 . 5.000 4.365 4.217 4.730 . 0 0 "[ . 1]" 1
485 1 22 GLU HA 1 25 ASN H 4.000 . 5.000 3.429 3.215 3.716 . 0 0 "[ . 1]" 1
486 1 22 GLU HA 1 25 ASN HB2 4.000 . 5.000 3.215 2.296 3.945 . 0 0 "[ . 1]" 1
487 1 22 GLU HA 1 25 ASN HB3 4.000 . 5.000 4.537 3.461 5.045 0.045 1 0 "[ . 1]" 1
488 1 22 GLU HA 1 25 ASN HD21 4.000 . 5.000 4.647 2.993 5.091 0.091 6 0 "[ . 1]" 1
489 1 22 GLU HA 1 25 ASN HD22 4.000 . 5.000 4.376 3.994 5.027 0.027 5 0 "[ . 1]" 1
490 1 22 GLU QB 1 23 PHE H 4.000 . 6.000 2.662 2.482 3.354 . 0 0 "[ . 1]" 1
491 1 22 GLU HG2 1 23 PHE H 4.000 . 5.000 4.280 2.864 4.568 . 0 0 "[ . 1]" 1
492 1 22 GLU HG3 1 23 PHE H 4.000 . 5.000 3.984 2.006 4.682 . 0 0 "[ . 1]" 1
493 1 23 PHE H 1 23 PHE HA 3.000 . 3.500 2.820 2.813 2.830 . 0 0 "[ . 1]" 1
494 1 23 PHE H 1 23 PHE HB2 4.000 . 5.000 2.478 2.398 2.557 . 0 0 "[ . 1]" 1
495 1 23 PHE H 1 23 PHE HB3 4.000 . 5.000 2.579 2.467 2.658 . 0 0 "[ . 1]" 1
496 1 23 PHE H 1 23 PHE QD 4.000 . 7.000 4.166 4.139 4.176 . 0 0 "[ . 1]" 1
497 1 23 PHE H 1 24 ALA H 3.000 . 3.500 2.651 2.586 2.747 . 0 0 "[ . 1]" 1
498 1 23 PHE H 1 24 ALA MB 4.000 . 6.000 4.267 4.214 4.343 . 0 0 "[ . 1]" 1
499 1 23 PHE H 1 59 THR MG 4.000 . 6.000 3.702 3.201 4.180 . 0 0 "[ . 1]" 1
500 1 23 PHE HA 1 24 ALA H 4.000 . 5.000 3.539 3.526 3.565 . 0 0 "[ . 1]" 1
501 1 23 PHE HA 1 25 ASN H 4.000 . 5.000 4.460 4.156 4.646 . 0 0 "[ . 1]" 1
502 1 23 PHE HA 1 26 GLN H 4.000 . 5.000 3.499 3.394 3.644 . 0 0 "[ . 1]" 1
503 1 23 PHE HB2 1 24 ALA H 4.000 . 5.000 3.785 3.677 3.877 . 0 0 "[ . 1]" 1
504 1 23 PHE HB3 1 24 ALA H 4.000 . 5.000 2.512 2.325 2.612 . 0 0 "[ . 1]" 1
505 1 23 PHE QB 1 56 THR MG 4.000 . 7.000 4.126 3.619 4.872 . 0 0 "[ . 1]" 1
506 1 23 PHE HB2 1 59 THR MG 4.000 . 6.000 2.282 2.028 2.558 . 0 0 "[ . 1]" 1
507 1 23 PHE HB3 1 59 THR MG 4.000 . 6.000 3.055 2.645 3.472 . 0 0 "[ . 1]" 1
508 1 23 PHE QD 1 24 ALA H 4.000 . 7.000 3.585 3.328 3.761 . 0 0 "[ . 1]" 1
509 1 23 PHE QD 1 26 GLN QB 4.000 . 8.000 3.951 3.444 4.305 . 0 0 "[ . 1]" 1
510 1 23 PHE QD 1 27 ALA MB 4.000 . 8.000 3.487 2.728 4.400 . 0 0 "[ . 1]" 1
511 1 23 PHE QD 1 53 TYR QD 4.000 . 9.000 4.241 3.709 4.598 . 0 0 "[ . 1]" 1
512 1 23 PHE QD 1 53 TYR QE 4.000 . 9.000 4.806 3.719 5.441 . 0 0 "[ . 1]" 1
513 1 23 PHE QD 1 56 THR HB 4.000 . 7.000 3.830 2.676 4.731 . 0 0 "[ . 1]" 1
514 1 23 PHE QD 1 56 THR MG 4.000 . 8.000 2.498 2.094 3.401 . 0 0 "[ . 1]" 1
515 1 23 PHE QD 1 59 THR MG 4.000 . 8.000 3.181 2.567 3.710 . 0 0 "[ . 1]" 1
516 1 23 PHE QE 1 27 ALA MB 4.000 . 8.000 3.144 2.411 4.176 . 0 0 "[ . 1]" 1
517 1 23 PHE QE 1 47 LEU MD1 4.000 . 8.000 4.025 3.646 4.466 . 0 0 "[ . 1]" 1
518 1 23 PHE QE 1 53 TYR QD 4.000 . 9.000 2.486 2.232 3.508 . 0 0 "[ . 1]" 1
519 1 23 PHE QE 1 53 TYR QE 4.000 . 9.000 3.752 3.035 4.633 . 0 0 "[ . 1]" 1
520 1 23 PHE QE 1 56 THR MG 4.000 . 8.000 2.609 2.040 4.291 . 0 0 "[ . 1]" 1
521 1 23 PHE QE 1 33 PHE QE 4.000 . 9.000 4.661 2.995 5.939 . 0 0 "[ . 1]" 1
522 1 23 PHE QE 1 63 ALA MB 4.000 . 8.000 4.347 3.876 4.800 . 0 0 "[ . 1]" 1
523 1 23 PHE HZ 1 27 ALA MB 4.000 . 6.000 4.071 3.477 4.685 . 0 0 "[ . 1]" 1
524 1 23 PHE HZ 1 60 PHE QD 4.000 . 7.000 3.757 3.001 5.173 . 0 0 "[ . 1]" 1
525 1 23 PHE HZ 1 47 LEU MD1 4.000 . 6.000 3.487 3.038 4.131 . 0 0 "[ . 1]" 1
526 1 23 PHE HZ 1 53 TYR QD 4.000 . 7.000 3.279 2.178 4.876 . 0 0 "[ . 1]" 1
527 1 23 PHE HZ 1 60 PHE QB 4.000 . 6.000 3.627 2.993 4.559 . 0 0 "[ . 1]" 1
528 1 24 ALA H 1 25 ASN H 4.000 . 5.000 2.812 2.690 2.903 . 0 0 "[ . 1]" 1
529 1 24 ALA H 1 26 GLN H 4.000 . 5.000 4.298 4.066 4.419 . 0 0 "[ . 1]" 1
530 1 24 ALA HA 1 25 ASN H 4.000 . 5.000 3.566 3.531 3.581 . 0 0 "[ . 1]" 1
531 1 24 ALA HA 1 26 GLN H 4.000 . 5.000 4.497 4.304 4.638 . 0 0 "[ . 1]" 1
532 1 24 ALA HA 1 27 ALA H 4.000 . 5.000 3.563 3.405 3.695 . 0 0 "[ . 1]" 1
533 1 24 ALA HA 1 27 ALA MB 4.000 . 6.000 2.651 2.376 3.130 . 0 0 "[ . 1]" 1
534 1 24 ALA MB 1 25 ASN H 4.000 . 6.000 2.408 2.294 2.592 . 0 0 "[ . 1]" 1
535 1 24 ALA MB 1 26 GLN H 4.000 . 6.000 4.527 4.325 4.664 . 0 0 "[ . 1]" 1
536 1 24 ALA MB 1 27 ALA H 4.000 . 6.000 4.707 4.608 4.779 . 0 0 "[ . 1]" 1
537 1 24 ALA MB 1 27 ALA MB 4.000 . 7.000 3.899 3.667 4.190 . 0 0 "[ . 1]" 1
538 1 25 ASN H 1 25 ASN HA 3.000 . 3.500 2.799 2.773 2.817 . 0 0 "[ . 1]" 1
539 1 25 ASN H 1 25 ASN HB2 4.000 . 5.000 2.623 2.088 3.016 . 0 0 "[ . 1]" 1
540 1 25 ASN H 1 25 ASN HB3 4.000 . 5.000 3.531 3.045 3.612 . 0 0 "[ . 1]" 1
541 1 25 ASN H 1 25 ASN HD21 4.000 . 5.000 4.049 3.072 4.558 . 0 0 "[ . 1]" 1
542 1 25 ASN H 1 25 ASN HD22 4.000 . 5.000 4.178 3.342 5.136 0.136 5 0 "[ . 1]" 1
543 1 25 ASN H 1 26 GLN H 3.000 . 3.500 2.782 2.680 2.829 . 0 0 "[ . 1]" 1
544 1 25 ASN H 1 26 GLN QB 4.000 . 6.000 4.521 4.437 4.573 . 0 0 "[ . 1]" 1
545 1 25 ASN H 1 27 ALA H 4.000 . 5.000 4.340 4.167 4.432 . 0 0 "[ . 1]" 1
546 1 25 ASN HA 1 25 ASN HD21 4.000 . 5.000 3.327 2.959 4.154 . 0 0 "[ . 1]" 1
547 1 25 ASN HA 1 25 ASN HD22 4.000 . 5.000 4.099 3.632 4.331 . 0 0 "[ . 1]" 1
548 1 25 ASN HA 1 26 GLN H 4.000 . 5.000 3.553 3.524 3.564 . 0 0 "[ . 1]" 1
549 1 25 ASN HA 1 27 ALA H 4.000 . 5.000 4.731 4.576 4.804 . 0 0 "[ . 1]" 1
550 1 25 ASN HA 1 28 TYR H 4.000 . 5.000 3.606 3.508 3.752 . 0 0 "[ . 1]" 1
551 1 25 ASN HA 1 28 TYR HB2 4.000 . 5.000 3.055 2.813 3.560 . 0 0 "[ . 1]" 1
552 1 25 ASN HA 1 28 TYR HB3 4.000 . 5.000 3.230 2.914 3.665 . 0 0 "[ . 1]" 1
553 1 25 ASN HB2 1 25 ASN HD22 4.000 . 5.000 3.934 3.512 4.093 . 0 0 "[ . 1]" 1
554 1 25 ASN HB3 1 25 ASN HD22 4.000 . 5.000 3.635 3.515 4.070 . 0 0 "[ . 1]" 1
555 1 25 ASN HB2 1 26 GLN H 4.000 . 5.000 2.597 2.383 3.310 . 0 0 "[ . 1]" 1
556 1 25 ASN HB3 1 26 GLN H 4.000 . 5.000 3.563 2.465 4.007 . 0 0 "[ . 1]" 1
557 1 26 GLN H 1 26 GLN HA 3.000 . 3.500 2.825 2.816 2.834 . 0 0 "[ . 1]" 1
558 1 26 GLN H 1 26 GLN HG2 4.000 . 5.000 4.537 4.451 4.646 . 0 0 "[ . 1]" 1
559 1 26 GLN H 1 26 GLN HG3 4.000 . 5.000 4.425 4.364 4.482 . 0 0 "[ . 1]" 1
560 1 26 GLN H 1 27 ALA H 4.000 . 5.000 2.741 2.680 2.789 . 0 0 "[ . 1]" 1
561 1 26 GLN H 1 27 ALA MB 4.000 . 6.000 4.352 4.313 4.409 . 0 0 "[ . 1]" 1
562 1 26 GLN HA 1 26 GLN HG2 4.000 . 5.000 3.296 2.739 3.715 . 0 0 "[ . 1]" 1
563 1 26 GLN HA 1 26 GLN HG3 4.000 . 5.000 2.584 2.352 3.039 . 0 0 "[ . 1]" 1
564 1 26 GLN HA 1 27 ALA H 4.000 . 5.000 3.563 3.549 3.572 . 0 0 "[ . 1]" 1
565 1 26 GLN HA 1 29 GLU H 4.000 . 5.000 3.614 3.513 3.699 . 0 0 "[ . 1]" 1
566 1 26 GLN HA 1 29 GLU QB 4.000 . 6.000 3.858 3.429 4.783 . 0 0 "[ . 1]" 1
567 1 26 GLN QB 1 26 GLN HE21 4.000 . 6.000 3.155 1.834 4.078 . 0 0 "[ . 1]" 1
568 1 26 GLN QB 1 27 ALA H 4.000 . 6.000 2.357 2.321 2.494 . 0 0 "[ . 1]" 1
569 1 26 GLN QB 1 27 ALA HA 4.000 . 6.000 4.016 3.838 4.156 . 0 0 "[ . 1]" 1
570 1 26 GLN HB2 1 53 TYR QE 4.000 . 7.000 5.018 4.199 5.397 . 0 0 "[ . 1]" 1
571 1 26 GLN HB3 1 53 TYR QE 4.000 . 7.000 3.756 2.787 4.497 . 0 0 "[ . 1]" 1
572 1 26 GLN HG2 1 27 ALA H 4.000 . 5.000 4.021 3.486 4.849 . 0 0 "[ . 1]" 1
573 1 26 GLN HG3 1 27 ALA H 4.000 . 5.000 4.290 3.587 4.799 . 0 0 "[ . 1]" 1
574 1 26 GLN HG2 1 52 ASP QB 4.000 . 6.000 5.013 4.569 5.388 . 0 0 "[ . 1]" 1
575 1 26 GLN HG3 1 52 ASP QB 4.000 . 6.000 5.204 5.005 5.350 . 0 0 "[ . 1]" 1
576 1 26 GLN QG 1 53 TYR QE 4.000 . 8.000 2.845 2.346 3.428 . 0 0 "[ . 1]" 1
577 1 26 GLN HE21 1 52 ASP QB 4.000 . 6.000 4.361 2.693 5.318 . 0 0 "[ . 1]" 1
578 1 27 ALA H 1 28 TYR H 3.000 . 3.500 2.712 2.667 2.756 . 0 0 "[ . 1]" 1
579 1 27 ALA H 1 28 TYR QB 4.000 . 6.000 4.451 4.402 4.506 . 0 0 "[ . 1]" 1
580 1 27 ALA H 1 29 GLU H 4.000 . 5.000 4.307 4.122 4.660 . 0 0 "[ . 1]" 1
581 1 27 ALA HA 1 28 TYR H 4.000 . 5.000 3.505 3.478 3.525 . 0 0 "[ . 1]" 1
582 1 27 ALA HA 1 30 ASP H 4.000 . 5.000 3.615 3.129 4.398 . 0 0 "[ . 1]" 1
583 1 27 ALA HA 1 30 ASP HB2 4.000 . 5.000 3.018 2.218 5.013 0.013 2 0 "[ . 1]" 1
584 1 27 ALA HA 1 30 ASP HB3 4.000 . 5.000 3.686 2.756 4.906 . 0 0 "[ . 1]" 1
585 1 27 ALA HA 1 33 PHE QD 4.000 . 7.000 4.947 3.631 6.217 . 0 0 "[ . 1]" 1
586 1 27 ALA MB 1 28 TYR H 4.000 . 6.000 2.733 2.632 2.841 . 0 0 "[ . 1]" 1
587 1 27 ALA MB 1 28 TYR HA 4.000 . 6.000 3.839 3.813 3.860 . 0 0 "[ . 1]" 1
588 1 27 ALA MB 1 29 GLU H 4.000 . 6.000 4.483 4.329 4.815 . 0 0 "[ . 1]" 1
589 1 27 ALA MB 1 30 ASP H 4.000 . 6.000 4.420 4.148 4.873 . 0 0 "[ . 1]" 1
590 1 27 ALA MB 1 30 ASP QB 4.000 . 7.000 3.656 3.320 5.206 . 0 0 "[ . 1]" 1
591 1 27 ALA MB 1 33 PHE QD 4.000 . 8.000 4.215 3.015 5.084 . 0 0 "[ . 1]" 1
592 1 27 ALA MB 1 33 PHE QE 4.000 . 8.000 4.458 3.219 5.571 . 0 0 "[ . 1]" 1
593 1 28 TYR H 1 28 TYR QB 3.000 . 4.500 2.224 2.178 2.257 . 0 0 "[ . 1]" 1
594 1 28 TYR H 1 28 TYR QD 4.000 . 7.000 4.124 4.025 4.183 . 0 0 "[ . 1]" 1
595 1 28 TYR H 1 29 GLU H 3.000 . 3.500 2.685 2.636 2.790 . 0 0 "[ . 1]" 1
596 1 28 TYR H 1 29 GLU HG2 4.000 . 5.000 4.616 4.148 5.020 0.020 7 0 "[ . 1]" 1
597 1 28 TYR H 1 29 GLU HG3 4.000 . 5.000 3.999 3.737 4.705 . 0 0 "[ . 1]" 1
598 1 28 TYR H 1 30 ASP H 4.000 . 5.000 4.115 3.806 4.528 . 0 0 "[ . 1]" 1
599 1 28 TYR HA 1 28 TYR QD 4.000 . 6.000 2.802 2.468 3.004 . 0 0 "[ . 1]" 1
600 1 28 TYR HA 1 29 GLU H 4.000 . 5.000 3.512 3.481 3.570 . 0 0 "[ . 1]" 1
601 1 28 TYR HA 1 30 ASP H 4.000 . 5.000 3.686 3.441 3.903 . 0 0 "[ . 1]" 1
602 1 28 TYR QB 1 29 GLU H 4.000 . 6.000 2.742 2.393 2.903 . 0 0 "[ . 1]" 1
603 1 28 TYR QB 1 29 GLU QB 4.000 . 7.000 4.476 3.725 4.665 . 0 0 "[ . 1]" 1
604 1 28 TYR QD 1 29 GLU H 4.000 . 7.000 3.884 3.558 4.179 . 0 0 "[ . 1]" 1
605 1 28 TYR QD 1 29 GLU HA 4.000 . 7.000 3.555 3.245 3.938 . 0 0 "[ . 1]" 1
606 1 28 TYR QD 1 29 GLU HG2 4.000 . 7.000 3.228 2.446 4.593 . 0 0 "[ . 1]" 1
607 1 28 TYR QD 1 29 GLU HG3 4.000 . 7.000 4.423 3.598 5.497 . 0 0 "[ . 1]" 1
608 1 29 GLU H 1 29 GLU HA 3.000 . 3.500 2.902 2.893 2.915 . 0 0 "[ . 1]" 1
609 1 29 GLU H 1 29 GLU HB2 3.000 . 3.500 2.833 2.661 3.595 0.095 10 0 "[ . 1]" 1
610 1 29 GLU H 1 29 GLU HB3 3.000 . 3.500 3.523 2.871 3.601 0.101 2 0 "[ . 1]" 1
611 1 29 GLU H 1 29 GLU HG2 4.000 . 5.000 2.588 1.992 3.002 . 0 0 "[ . 1]" 1
612 1 29 GLU H 1 29 GLU HG3 4.000 . 5.000 2.095 1.895 2.473 . 0 0 "[ . 1]" 1
613 1 29 GLU HA 1 29 GLU HG2 4.000 . 5.000 2.762 2.565 3.777 . 0 0 "[ . 1]" 1
614 1 29 GLU HA 1 29 GLU HG3 4.000 . 5.000 3.537 3.318 3.647 . 0 0 "[ . 1]" 1
615 1 29 GLU HA 1 30 ASP H 3.000 . 3.500 3.199 2.870 3.362 . 0 0 "[ . 1]" 1
616 1 29 GLU HB2 1 30 ASP H 4.000 . 5.000 3.760 3.401 4.292 . 0 0 "[ . 1]" 1
617 1 29 GLU HB3 1 30 ASP H 4.000 . 5.000 4.474 4.355 4.604 . 0 0 "[ . 1]" 1
618 1 29 GLU HG2 1 30 ASP H 4.000 . 5.000 4.644 3.983 4.898 . 0 0 "[ . 1]" 1
619 1 29 GLU HG3 1 30 ASP H 4.000 . 5.000 4.313 3.135 4.995 . 0 0 "[ . 1]" 1
620 1 30 ASP H 1 30 ASP HA 3.000 . 3.500 2.891 2.882 2.899 . 0 0 "[ . 1]" 1
621 1 30 ASP H 1 30 ASP HB2 4.000 . 5.000 2.701 2.256 3.912 . 0 0 "[ . 1]" 1
622 1 30 ASP H 1 30 ASP HB3 4.000 . 5.000 2.877 2.547 3.663 . 0 0 "[ . 1]" 1
623 1 30 ASP H 1 31 HIS H 4.000 . 5.000 4.223 3.373 4.617 . 0 0 "[ . 1]" 1
624 1 30 ASP HA 1 31 HIS H 3.000 . 3.500 2.463 2.261 2.746 . 0 0 "[ . 1]" 1
625 1 30 ASP QB 1 31 HIS H 4.000 . 6.000 3.158 2.082 4.044 . 0 0 "[ . 1]" 1
626 1 30 ASP QB 1 33 PHE H 4.000 . 6.000 3.492 2.858 5.008 . 0 0 "[ . 1]" 1
627 1 30 ASP QB 1 33 PHE QB 4.000 . 7.000 2.836 2.084 4.412 . 0 0 "[ . 1]" 1
628 1 30 ASP QB 1 53 TYR QE 4.000 . 8.000 4.254 3.313 5.030 . 0 0 "[ . 1]" 1
629 1 30 ASP QB 1 33 PHE QD 4.000 . 8.000 3.849 2.768 4.926 . 0 0 "[ . 1]" 1
630 1 31 HIS H 1 31 HIS HB2 4.000 . 5.000 3.068 2.300 4.057 . 0 0 "[ . 1]" 1
631 1 31 HIS H 1 31 HIS HB3 4.000 . 5.000 3.327 2.424 3.879 . 0 0 "[ . 1]" 1
632 1 31 HIS H 1 32 SER H 4.000 . 5.000 2.337 1.744 3.140 0.056 3 0 "[ . 1]" 1
633 1 31 HIS H 1 33 PHE H 4.000 . 5.000 3.746 2.213 4.876 . 0 0 "[ . 1]" 1
634 1 31 HIS QB 1 32 SER H 4.000 . 6.000 3.376 1.959 4.004 . 0 0 "[ . 1]" 1
635 1 32 SER H 1 32 SER HB2 4.000 . 5.000 3.242 2.632 3.693 . 0 0 "[ . 1]" 1
636 1 32 SER H 1 32 SER HB3 4.000 . 5.000 3.083 2.453 3.924 . 0 0 "[ . 1]" 1
637 1 32 SER H 1 33 PHE H 2.500 . 2.900 2.227 1.700 3.023 0.123 10 0 "[ . 1]" 1
638 1 32 SER H 1 33 PHE HB2 4.000 . 5.000 4.097 3.519 4.590 . 0 0 "[ . 1]" 1
639 1 32 SER H 1 33 PHE HB3 4.000 . 5.000 4.668 3.441 5.065 0.065 4 0 "[ . 1]" 1
640 1 32 SER HA 1 33 PHE H 4.000 . 5.000 3.201 2.440 3.438 . 0 0 "[ . 1]" 1
641 1 32 SER HA 1 33 PHE HA 4.000 . 5.000 4.859 4.334 4.951 . 0 0 "[ . 1]" 1
642 1 32 SER HB2 1 33 PHE H 4.000 . 5.000 4.115 3.216 4.625 . 0 0 "[ . 1]" 1
643 1 32 SER HB3 1 33 PHE H 4.000 . 5.000 4.097 3.217 4.468 . 0 0 "[ . 1]" 1
644 1 32 SER HB2 1 46 TYR QE 4.000 . 7.000 4.139 2.924 5.183 . 0 0 "[ . 1]" 1
645 1 32 SER HB3 1 46 TYR QE 4.000 . 7.000 4.417 3.196 6.146 . 0 0 "[ . 1]" 1
646 1 33 PHE H 1 33 PHE HA 3.000 . 3.500 2.760 2.740 2.817 . 0 0 "[ . 1]" 1
647 1 33 PHE H 1 33 PHE HB2 3.000 . 3.500 2.443 2.119 3.640 0.140 10 0 "[ . 1]" 1
648 1 33 PHE H 1 33 PHE HB3 3.000 . 3.500 2.817 2.478 3.075 . 0 0 "[ . 1]" 1
649 1 33 PHE H 1 34 PRO HD2 4.000 . 5.000 4.829 4.562 5.015 0.015 6 0 "[ . 1]" 1
650 1 33 PHE H 1 34 PRO HD3 4.000 . 5.000 4.756 4.223 4.878 . 0 0 "[ . 1]" 1
651 1 33 PHE H 1 33 PHE QD 4.000 . 7.000 4.034 3.640 4.199 . 0 0 "[ . 1]" 1
652 1 33 PHE HA 1 34 PRO QG 4.000 . 6.000 3.916 3.863 3.949 . 0 0 "[ . 1]" 1
653 1 33 PHE HA 1 34 PRO HD2 4.000 . 5.000 2.231 2.038 2.341 . 0 0 "[ . 1]" 1
654 1 33 PHE HA 1 34 PRO HD3 4.000 . 5.000 2.270 2.072 2.551 . 0 0 "[ . 1]" 1
655 1 33 PHE HA 1 46 TYR QE 4.000 . 7.000 3.517 3.078 4.741 . 0 0 "[ . 1]" 1
656 1 33 PHE HA 1 33 PHE QD 4.000 . 6.000 2.917 2.688 3.093 . 0 0 "[ . 1]" 1
657 1 33 PHE HA 1 33 PHE QE 4.000 . 6.000 4.538 4.324 4.836 . 0 0 "[ . 1]" 1
658 1 33 PHE QB 1 34 PRO QD 4.000 . 7.000 3.314 3.091 3.684 . 0 0 "[ . 1]" 1
659 1 33 PHE QB 1 35 LYS QG 4.000 . 7.000 3.463 2.302 4.667 . 0 0 "[ . 1]" 1
660 1 33 PHE QB 1 35 LYS QD 4.000 . 7.000 4.349 3.654 5.350 . 0 0 "[ . 1]" 1
661 1 33 PHE QB 1 46 TYR QE 4.000 . 8.000 4.236 3.212 5.751 . 0 0 "[ . 1]" 1
662 1 60 PHE QD 1 61 ASP H 4.000 . 7.000 3.222 2.891 3.459 . 0 0 "[ . 1]" 1
663 1 60 PHE QD 1 61 ASP HA 4.000 . 7.000 3.556 3.283 4.015 . 0 0 "[ . 1]" 1
664 1 60 PHE QD 1 63 ALA MB 4.000 . 8.000 3.369 3.000 3.672 . 0 0 "[ . 1]" 1
665 1 60 PHE HZ 1 64 TRP HZ3 4.000 . 5.000 3.503 2.743 4.594 . 0 0 "[ . 1]" 1
666 1 34 PRO HA 1 35 LYS H 3.000 . 3.500 2.565 2.348 2.703 . 0 0 "[ . 1]" 1
667 1 34 PRO HA 1 35 LYS QB 4.000 . 6.000 4.805 4.324 5.059 . 0 0 "[ . 1]" 1
668 1 34 PRO HA 1 36 THR H 4.000 . 5.000 3.208 3.122 3.395 . 0 0 "[ . 1]" 1
669 1 34 PRO HA 1 36 THR MG 4.000 . 6.000 3.744 3.173 4.810 . 0 0 "[ . 1]" 1
670 1 34 PRO HA 1 37 SER H 4.000 . 5.000 4.726 4.453 5.033 0.033 10 0 "[ . 1]" 1
671 1 34 PRO QB 1 35 LYS H 4.000 . 6.000 3.981 3.874 4.022 . 0 0 "[ . 1]" 1
672 1 34 PRO QB 1 36 THR H 4.000 . 6.000 3.965 3.634 4.175 . 0 0 "[ . 1]" 1
673 1 34 PRO QB 1 37 SER H 4.000 . 6.000 3.618 3.323 3.882 . 0 0 "[ . 1]" 1
674 1 34 PRO HB2 1 37 SER QB 4.000 . 6.000 2.410 2.146 2.744 . 0 0 "[ . 1]" 1
675 1 34 PRO HB3 1 37 SER QB 4.000 . 6.000 3.231 2.323 3.640 . 0 0 "[ . 1]" 1
676 1 34 PRO HG2 1 43 ILE HA 4.000 . 5.000 4.037 3.612 4.430 . 0 0 "[ . 1]" 1
677 1 34 PRO HG3 1 43 ILE HA 4.000 . 5.000 3.745 3.072 4.961 . 0 0 "[ . 1]" 1
678 1 34 PRO HG2 1 43 ILE QG 4.000 . 6.000 2.636 2.078 4.295 . 0 0 "[ . 1]" 1
679 1 34 PRO HG3 1 43 ILE QG 4.000 . 6.000 3.232 2.284 4.937 . 0 0 "[ . 1]" 1
680 1 34 PRO HG2 1 43 ILE MG 4.000 . 6.000 4.108 3.504 4.691 . 0 0 "[ . 1]" 1
681 1 34 PRO HG3 1 43 ILE MG 4.000 . 6.000 4.592 4.162 4.928 . 0 0 "[ . 1]" 1
682 1 34 PRO HG2 1 43 ILE MD 4.000 . 6.000 2.639 2.099 3.268 . 0 0 "[ . 1]" 1
683 1 34 PRO HG3 1 43 ILE MD 4.000 . 6.000 3.648 2.808 4.675 . 0 0 "[ . 1]" 1
684 1 34 PRO HG2 1 46 TYR QB 4.000 . 6.000 4.613 4.090 5.134 . 0 0 "[ . 1]" 1
685 1 34 PRO HG3 1 46 TYR QB 4.000 . 6.000 3.807 3.083 4.516 . 0 0 "[ . 1]" 1
686 1 34 PRO QG 1 46 TYR QD 4.000 . 8.000 4.126 3.506 4.886 . 0 0 "[ . 1]" 1
687 1 34 PRO HD2 1 46 TYR QD 4.000 . 7.000 4.206 3.851 4.993 . 0 0 "[ . 1]" 1
688 1 34 PRO HD3 1 46 TYR QD 4.000 . 7.000 3.637 2.743 4.328 . 0 0 "[ . 1]" 1
689 1 34 PRO HD2 1 46 TYR QE 4.000 . 7.000 4.558 3.905 5.635 . 0 0 "[ . 1]" 1
690 1 34 PRO HD3 1 46 TYR QE 4.000 . 7.000 3.818 3.072 4.722 . 0 0 "[ . 1]" 1
691 1 35 LYS H 1 35 LYS HB2 4.000 . 5.000 3.121 2.326 3.590 . 0 0 "[ . 1]" 1
692 1 35 LYS H 1 35 LYS HB3 4.000 . 5.000 3.135 2.518 3.591 . 0 0 "[ . 1]" 1
693 1 35 LYS H 1 35 LYS HG2 4.000 . 5.000 2.273 1.889 3.002 . 0 0 "[ . 1]" 1
694 1 35 LYS H 1 35 LYS HG3 4.000 . 5.000 2.534 1.832 3.559 . 0 0 "[ . 1]" 1
695 1 35 LYS H 1 35 LYS HD2 4.000 . 5.000 4.301 3.259 4.847 . 0 0 "[ . 1]" 1
696 1 35 LYS H 1 35 LYS HD3 4.000 . 5.000 4.244 3.575 4.655 . 0 0 "[ . 1]" 1
697 1 35 LYS H 1 35 LYS QE 4.000 . 6.000 4.176 3.774 4.677 . 0 0 "[ . 1]" 1
698 1 35 LYS H 1 36 THR H 3.000 . 3.500 2.688 2.647 2.722 . 0 0 "[ . 1]" 1
699 1 35 LYS HA 1 35 LYS HG2 4.000 . 5.000 3.118 2.358 3.729 . 0 0 "[ . 1]" 1
700 1 35 LYS HA 1 35 LYS HG3 4.000 . 5.000 3.589 3.273 3.894 . 0 0 "[ . 1]" 1
701 1 35 LYS HA 1 35 LYS QD 4.000 . 6.000 3.935 2.142 4.501 . 0 0 "[ . 1]" 1
702 1 35 LYS HA 1 36 THR H 4.000 . 5.000 3.478 3.462 3.522 . 0 0 "[ . 1]" 1
703 1 35 LYS HA 1 37 SER H 4.000 . 5.000 3.761 3.529 4.667 . 0 0 "[ . 1]" 1
704 1 35 LYS QB 1 35 LYS QE 4.000 . 7.000 2.929 2.169 3.762 . 0 0 "[ . 1]" 1
705 1 35 LYS HB2 1 36 THR H 4.000 . 5.000 3.370 2.735 3.997 . 0 0 "[ . 1]" 1
706 1 35 LYS HB3 1 36 THR H 4.000 . 5.000 4.091 3.777 4.330 . 0 0 "[ . 1]" 1
707 1 35 LYS QG 1 36 THR H 4.000 . 6.000 3.070 2.206 4.309 . 0 0 "[ . 1]" 1
708 1 36 THR H 1 36 THR HB 4.000 . 5.000 3.052 2.779 3.679 . 0 0 "[ . 1]" 1
709 1 36 THR H 1 36 THR MG 4.000 . 6.000 2.072 1.852 2.452 . 0 0 "[ . 1]" 1
710 1 36 THR H 1 37 SER H 4.000 . 5.000 3.013 2.831 3.272 . 0 0 "[ . 1]" 1
711 1 36 THR H 1 37 SER QB 4.000 . 6.000 4.007 3.557 4.161 . 0 0 "[ . 1]" 1
712 1 36 THR MG 1 37 SER H 4.000 . 6.000 3.808 3.453 4.337 . 0 0 "[ . 1]" 1
713 1 37 SER H 1 37 SER HA 3.000 . 3.500 2.801 2.795 2.809 . 0 0 "[ . 1]" 1
714 1 37 SER H 1 37 SER HB2 3.000 . 3.500 3.397 3.260 3.557 0.057 5 0 "[ . 1]" 1
715 1 37 SER H 1 37 SER HB3 3.000 . 3.500 3.380 3.203 3.504 0.004 7 0 "[ . 1]" 1
716 1 37 SER H 1 38 THR H 4.000 . 5.000 3.826 3.429 4.244 . 0 0 "[ . 1]" 1
717 1 37 SER H 1 43 ILE MD 4.000 . 6.000 4.860 4.821 4.906 . 0 0 "[ . 1]" 1
718 1 37 SER HA 1 38 THR H 4.000 . 5.000 2.201 2.164 2.290 . 0 0 "[ . 1]" 1
719 1 37 SER HB2 1 38 THR H 4.000 . 5.000 4.419 3.990 4.623 . 0 0 "[ . 1]" 1
720 1 37 SER HB3 1 38 THR H 4.000 . 5.000 4.023 3.566 4.442 . 0 0 "[ . 1]" 1
721 1 37 SER QB 1 43 ILE MD 4.000 . 7.000 4.365 3.930 4.664 . 0 0 "[ . 1]" 1
722 1 38 THR H 1 38 THR MG 4.000 . 6.000 1.984 1.739 2.221 0.061 7 0 "[ . 1]" 1
723 1 38 THR H 1 39 ASP H 4.000 . 5.000 4.069 3.915 4.207 . 0 0 "[ . 1]" 1
724 1 38 THR H 1 39 ASP HB2 4.000 . 5.000 4.598 4.142 5.022 0.022 2 0 "[ . 1]" 1
725 1 38 THR H 1 39 ASP HB3 4.000 . 5.000 5.094 5.028 5.153 0.153 8 0 "[ . 1]" 1
726 1 39 ASP H 1 39 ASP HB2 3.000 . 3.500 3.422 3.251 3.555 0.055 2 0 "[ . 1]" 1
727 1 39 ASP H 1 39 ASP HB3 3.000 . 3.500 2.755 2.681 2.842 . 0 0 "[ . 1]" 1
728 1 39 ASP H 1 42 GLU QB 4.000 . 6.000 3.450 2.677 3.960 . 0 0 "[ . 1]" 1
729 1 39 ASP H 1 43 ILE HB 4.000 . 5.000 3.747 3.420 4.281 . 0 0 "[ . 1]" 1
730 1 39 ASP H 1 43 ILE MD 4.000 . 6.000 2.023 1.707 2.828 0.093 3 0 "[ . 1]" 1
731 1 39 ASP HA 1 40 TYR H 4.000 . 5.000 2.159 2.140 2.189 . 0 0 "[ . 1]" 1
732 1 39 ASP HA 1 40 TYR QB 4.000 . 6.000 4.112 4.082 4.162 . 0 0 "[ . 1]" 1
733 1 39 ASP QB 1 40 TYR H 4.000 . 6.000 3.783 3.677 3.903 . 0 0 "[ . 1]" 1
734 1 39 ASP HB2 1 42 GLU H 4.000 . 5.000 4.234 4.111 4.320 . 0 0 "[ . 1]" 1
735 1 39 ASP HB3 1 42 GLU H 4.000 . 5.000 3.034 2.788 3.283 . 0 0 "[ . 1]" 1
736 1 39 ASP HB2 1 42 GLU QB 4.000 . 6.000 3.531 3.313 3.757 . 0 0 "[ . 1]" 1
737 1 39 ASP HB3 1 42 GLU QB 4.000 . 6.000 2.113 1.983 2.327 . 0 0 "[ . 1]" 1
738 1 39 ASP QB 1 43 ILE H 4.000 . 6.000 3.462 2.994 4.013 . 0 0 "[ . 1]" 1
739 1 40 TYR H 1 40 TYR HA 3.000 . 3.500 2.755 2.734 2.797 . 0 0 "[ . 1]" 1
740 1 40 TYR H 1 41 HIS H 4.000 . 5.000 2.964 2.844 3.050 . 0 0 "[ . 1]" 1
741 1 40 TYR H 1 64 TRP HZ2 4.000 . 5.000 3.277 2.841 3.710 . 0 0 "[ . 1]" 1
742 1 40 TYR H 1 64 TRP HH2 4.000 . 5.000 3.170 2.498 3.524 . 0 0 "[ . 1]" 1
743 1 40 TYR HA 1 60 PHE HZ 4.000 . 5.000 3.161 2.273 3.641 . 0 0 "[ . 1]" 1
744 1 40 TYR HA 1 40 TYR QD 4.000 . 6.000 2.636 2.389 2.852 . 0 0 "[ . 1]" 1
745 1 40 TYR HA 1 40 TYR QE 4.000 . 6.000 4.494 4.365 4.596 . 0 0 "[ . 1]" 1
746 1 40 TYR HA 1 41 HIS H 4.000 . 5.000 3.575 3.569 3.584 . 0 0 "[ . 1]" 1
747 1 40 TYR HA 1 43 ILE H 4.000 . 5.000 4.026 3.759 4.178 . 0 0 "[ . 1]" 1
748 1 40 TYR HA 1 43 ILE HB 4.000 . 5.000 3.206 2.862 3.455 . 0 0 "[ . 1]" 1
749 1 40 TYR HA 1 43 ILE MD 4.000 . 6.000 4.264 3.781 5.099 . 0 0 "[ . 1]" 1
750 1 40 TYR HA 1 44 SER H 4.000 . 5.000 3.639 3.456 3.819 . 0 0 "[ . 1]" 1
751 1 40 TYR HA 1 64 TRP HE3 4.000 . 5.000 4.419 3.775 4.882 . 0 0 "[ . 1]" 1
752 1 40 TYR HA 1 64 TRP HH2 4.000 . 5.000 3.779 3.204 4.264 . 0 0 "[ . 1]" 1
753 1 40 TYR HB2 1 41 HIS H 4.000 . 5.000 3.775 3.672 3.845 . 0 0 "[ . 1]" 1
754 1 40 TYR HB3 1 41 HIS H 4.000 . 5.000 2.404 2.315 2.498 . 0 0 "[ . 1]" 1
755 1 40 TYR QB 1 41 HIS QB 4.000 . 7.000 4.182 3.731 4.564 . 0 0 "[ . 1]" 1
756 1 40 TYR QB 1 64 TRP HD1 4.000 . 6.000 5.030 4.642 5.151 . 0 0 "[ . 1]" 1
757 1 40 TYR QB 1 64 TRP HE1 4.000 . 6.000 3.613 3.250 4.056 . 0 0 "[ . 1]" 1
758 1 40 TYR QB 1 64 TRP HZ2 4.000 . 6.000 2.995 2.518 3.469 . 0 0 "[ . 1]" 1
759 1 40 TYR QB 1 64 TRP HH2 4.000 . 6.000 3.933 3.408 4.338 . 0 0 "[ . 1]" 1
760 1 40 TYR QD 1 41 HIS H 4.000 . 7.000 3.283 2.883 3.583 . 0 0 "[ . 1]" 1
761 1 40 TYR QE 1 60 PHE QE 4.000 . 9.000 2.894 2.414 3.355 . 0 0 "[ . 1]" 1
762 1 40 TYR QE 1 41 HIS HA 4.000 . 7.000 4.474 3.984 4.955 . 0 0 "[ . 1]" 1
763 1 40 TYR QE 1 44 SER QB 4.000 . 8.000 3.632 3.208 4.419 . 0 0 "[ . 1]" 1
764 1 40 TYR QE 1 61 ASP HA 4.000 . 7.000 3.279 2.721 3.889 . 0 0 "[ . 1]" 1
765 1 40 TYR QE 1 64 TRP QB 4.000 . 8.000 3.239 2.577 3.737 . 0 0 "[ . 1]" 1
766 1 40 TYR QE 1 64 TRP HD1 4.000 . 7.000 4.535 3.637 5.531 . 0 0 "[ . 1]" 1
767 1 40 TYR QE 1 64 TRP HE3 4.000 . 7.000 4.989 4.491 5.629 . 0 0 "[ . 1]" 1
768 1 41 HIS H 1 41 HIS HA 3.000 . 3.500 2.818 2.807 2.828 . 0 0 "[ . 1]" 1
769 1 41 HIS H 1 41 HIS QB 3.000 . 4.500 2.432 2.177 2.798 . 0 0 "[ . 1]" 1
770 1 41 HIS H 1 42 GLU H 3.000 . 3.500 2.812 2.713 2.869 . 0 0 "[ . 1]" 1
771 1 41 HIS H 1 43 ILE H 4.000 . 5.000 4.392 4.227 4.476 . 0 0 "[ . 1]" 1
772 1 41 HIS HA 1 42 GLU H 4.000 . 5.000 3.573 3.557 3.585 . 0 0 "[ . 1]" 1
773 1 41 HIS HA 1 44 SER H 4.000 . 5.000 3.782 3.610 3.911 . 0 0 "[ . 1]" 1
774 1 41 HIS HA 1 44 SER QB 4.000 . 6.000 2.826 2.314 3.586 . 0 0 "[ . 1]" 1
775 1 41 HIS HA 1 45 SER H 4.000 . 5.000 4.138 3.989 4.359 . 0 0 "[ . 1]" 1
776 1 41 HIS QB 1 42 GLU H 4.000 . 6.000 2.354 2.294 2.419 . 0 0 "[ . 1]" 1
777 1 41 HIS QB 1 42 GLU HA 4.000 . 6.000 3.838 3.711 4.022 . 0 0 "[ . 1]" 1
778 1 41 HIS QB 1 42 GLU QB 4.000 . 7.000 3.770 3.673 4.215 . 0 0 "[ . 1]" 1
779 1 42 GLU H 1 42 GLU HA 3.000 . 3.500 2.808 2.796 2.822 . 0 0 "[ . 1]" 1
780 1 42 GLU H 1 42 GLU QB 3.000 . 4.500 2.201 2.125 2.255 . 0 0 "[ . 1]" 1
781 1 42 GLU H 1 42 GLU QG 4.000 . 6.000 3.779 2.553 4.051 . 0 0 "[ . 1]" 1
782 1 42 GLU H 1 43 ILE H 3.000 . 3.500 2.827 2.759 2.865 . 0 0 "[ . 1]" 1
783 1 42 GLU H 1 43 ILE HB 4.000 . 5.000 4.894 4.778 5.021 0.021 9 0 "[ . 1]" 1
784 1 42 GLU HA 1 43 ILE H 4.000 . 5.000 3.571 3.558 3.581 . 0 0 "[ . 1]" 1
785 1 42 GLU HA 1 45 SER H 4.000 . 5.000 3.885 3.778 4.030 . 0 0 "[ . 1]" 1
786 1 42 GLU QB 1 43 ILE H 4.000 . 6.000 2.352 2.299 2.433 . 0 0 "[ . 1]" 1
787 1 42 GLU QB 1 44 SER H 4.000 . 6.000 4.615 4.505 4.779 . 0 0 "[ . 1]" 1
788 1 43 ILE H 1 43 ILE HB 4.000 . 5.000 2.364 2.216 2.581 . 0 0 "[ . 1]" 1
789 1 43 ILE H 1 43 ILE HG12 4.000 . 5.000 3.459 1.909 4.136 . 0 0 "[ . 1]" 1
790 1 43 ILE H 1 43 ILE HG13 4.000 . 5.000 2.811 2.222 3.733 . 0 0 "[ . 1]" 1
791 1 43 ILE H 1 43 ILE MG 4.000 . 6.000 3.708 3.638 3.755 . 0 0 "[ . 1]" 1
792 1 43 ILE H 1 43 ILE MD 4.000 . 6.000 3.253 2.137 3.630 . 0 0 "[ . 1]" 1
793 1 43 ILE H 1 44 SER H 3.000 . 3.500 2.668 2.617 2.750 . 0 0 "[ . 1]" 1
794 1 43 ILE HA 1 43 ILE HG12 4.000 . 5.000 2.723 2.397 3.511 . 0 0 "[ . 1]" 1
795 1 43 ILE HA 1 43 ILE HG13 4.000 . 5.000 2.817 2.192 3.798 . 0 0 "[ . 1]" 1
796 1 43 ILE HA 1 43 ILE MD 4.000 . 6.000 3.316 2.052 3.791 . 0 0 "[ . 1]" 1
797 1 43 ILE HA 1 44 SER H 4.000 . 5.000 3.556 3.537 3.575 . 0 0 "[ . 1]" 1
798 1 43 ILE HA 1 45 SER H 4.000 . 5.000 4.375 4.209 4.512 . 0 0 "[ . 1]" 1
799 1 43 ILE HA 1 46 TYR H 4.000 . 5.000 3.206 3.097 3.291 . 0 0 "[ . 1]" 1
800 1 43 ILE HA 1 46 TYR QB 4.000 . 6.000 2.451 2.207 2.618 . 0 0 "[ . 1]" 1
801 1 43 ILE HA 1 47 LEU H 4.000 . 5.000 4.229 3.837 4.595 . 0 0 "[ . 1]" 1
802 1 43 ILE HA 1 47 LEU MD1 4.000 . 6.000 4.639 4.206 4.882 . 0 0 "[ . 1]" 1
803 1 43 ILE HB 1 60 PHE HZ 4.000 . 5.000 3.167 2.613 3.885 . 0 0 "[ . 1]" 1
804 1 43 ILE HB 1 44 SER H 4.000 . 5.000 2.728 2.384 2.920 . 0 0 "[ . 1]" 1
805 1 43 ILE HB 1 64 TRP HZ3 4.000 . 5.000 3.848 3.335 4.423 . 0 0 "[ . 1]" 1
806 1 43 ILE QG 1 44 SER H 4.000 . 6.000 4.209 3.811 4.524 . 0 0 "[ . 1]" 1
807 1 43 ILE MG 1 60 PHE QD 4.000 . 8.000 3.813 2.965 4.295 . 0 0 "[ . 1]" 1
808 1 43 ILE MG 1 60 PHE QE 4.000 . 8.000 2.589 2.165 2.972 . 0 0 "[ . 1]" 1
809 1 43 ILE MG 1 60 PHE HZ 4.000 . 6.000 2.619 2.395 3.089 . 0 0 "[ . 1]" 1
810 1 43 ILE MG 1 44 SER H 4.000 . 6.000 3.243 2.938 3.409 . 0 0 "[ . 1]" 1
811 1 43 ILE MG 1 44 SER QB 4.000 . 7.000 4.298 3.877 4.593 . 0 0 "[ . 1]" 1
812 1 43 ILE MG 1 46 TYR H 4.000 . 6.000 4.331 4.209 4.435 . 0 0 "[ . 1]" 1
813 1 43 ILE MG 1 47 LEU HG 4.000 . 6.000 2.743 2.209 3.335 . 0 0 "[ . 1]" 1
814 1 43 ILE MG 1 47 LEU MD1 4.000 . 7.000 2.247 1.921 2.623 . 0 0 "[ . 1]" 1
815 1 43 ILE MG 1 47 LEU MD2 4.000 . 7.000 3.315 2.956 3.607 . 0 0 "[ . 1]" 1
816 1 43 ILE MD 1 64 TRP HZ3 4.000 . 6.000 2.940 2.318 3.760 . 0 0 "[ . 1]" 1
817 1 43 ILE MD 1 64 TRP HH2 4.000 . 6.000 3.737 2.880 4.504 . 0 0 "[ . 1]" 1
818 1 44 SER H 1 60 PHE QE 4.000 . 7.000 4.141 3.929 4.380 . 0 0 "[ . 1]" 1
819 1 44 SER H 1 60 PHE HZ 4.000 . 5.000 4.093 3.652 4.528 . 0 0 "[ . 1]" 1
820 1 44 SER H 1 44 SER QB 3.000 . 4.500 2.329 2.224 2.521 . 0 0 "[ . 1]" 1
821 1 44 SER H 1 45 SER H 3.000 . 3.500 2.845 2.758 2.908 . 0 0 "[ . 1]" 1
822 1 44 SER H 1 46 TYR H 4.000 . 5.000 4.121 3.912 4.236 . 0 0 "[ . 1]" 1
823 1 44 SER HA 1 60 PHE QD 4.000 . 7.000 4.091 3.704 4.581 . 0 0 "[ . 1]" 1
824 1 44 SER HA 1 60 PHE QE 4.000 . 7.000 3.151 2.884 3.643 . 0 0 "[ . 1]" 1
825 1 44 SER HA 1 60 PHE HZ 4.000 . 5.000 4.223 3.551 4.655 . 0 0 "[ . 1]" 1
826 1 44 SER HA 1 45 SER H 4.000 . 5.000 3.559 3.542 3.573 . 0 0 "[ . 1]" 1
827 1 44 SER HA 1 45 SER HA 4.000 . 5.000 4.798 4.786 4.815 . 0 0 "[ . 1]" 1
828 1 44 SER HA 1 47 LEU H 4.000 . 5.000 3.610 3.434 3.727 . 0 0 "[ . 1]" 1
829 1 44 SER HA 1 47 LEU QB 4.000 . 6.000 3.141 2.730 3.467 . 0 0 "[ . 1]" 1
830 1 44 SER HA 1 47 LEU MD1 4.000 . 6.000 2.533 2.124 3.204 . 0 0 "[ . 1]" 1
831 1 44 SER HA 1 48 GLU H 4.000 . 5.000 4.174 3.866 4.520 . 0 0 "[ . 1]" 1
832 1 44 SER HA 1 48 GLU QG 4.000 . 6.000 4.084 3.809 4.310 . 0 0 "[ . 1]" 1
833 1 44 SER HA 1 57 MET ME 4.000 . 6.000 3.382 2.748 4.246 . 0 0 "[ . 1]" 1
834 1 44 SER QB 1 60 PHE QE 4.000 . 8.000 3.101 2.456 3.852 . 0 0 "[ . 1]" 1
835 1 44 SER QB 1 60 PHE HZ 4.000 . 6.000 4.339 3.660 5.251 . 0 0 "[ . 1]" 1
836 1 44 SER QB 1 45 SER H 3.000 . 4.500 2.751 2.415 3.392 . 0 0 "[ . 1]" 1
837 1 44 SER QB 1 45 SER QB 4.000 . 7.000 4.279 3.836 5.107 . 0 0 "[ . 1]" 1
838 1 44 SER QB 1 47 LEU MD1 4.000 . 7.000 4.137 3.624 4.723 . 0 0 "[ . 1]" 1
839 1 44 SER QB 1 57 MET ME 4.000 . 7.000 4.107 2.800 4.861 . 0 0 "[ . 1]" 1
840 1 45 SER H 1 45 SER HA 3.000 . 3.500 2.824 2.819 2.832 . 0 0 "[ . 1]" 1
841 1 45 SER H 1 45 SER HB2 3.000 . 3.500 2.716 2.272 3.545 0.045 8 0 "[ . 1]" 1
842 1 45 SER H 1 45 SER HB3 3.000 . 3.500 2.847 2.194 3.564 0.064 6 0 "[ . 1]" 1
843 1 45 SER H 1 46 TYR H 4.000 . 5.000 2.635 2.589 2.670 . 0 0 "[ . 1]" 1
844 1 45 SER H 1 47 LEU H 4.000 . 5.000 4.214 4.042 4.362 . 0 0 "[ . 1]" 1
845 1 45 SER H 1 48 GLU QB 4.000 . 6.000 4.744 4.378 5.066 . 0 0 "[ . 1]" 1
846 1 45 SER H 1 49 LEU MD1 4.000 . 6.000 4.833 4.776 4.928 . 0 0 "[ . 1]" 1
847 1 45 SER HA 1 48 GLU H 4.000 . 5.000 3.352 3.245 3.538 . 0 0 "[ . 1]" 1
848 1 45 SER HA 1 48 GLU HB2 4.000 . 5.000 2.387 2.134 2.550 . 0 0 "[ . 1]" 1
849 1 45 SER HA 1 48 GLU HB3 4.000 . 5.000 3.979 3.569 4.206 . 0 0 "[ . 1]" 1
850 1 45 SER HA 1 48 GLU QG 4.000 . 6.000 3.613 2.996 4.027 . 0 0 "[ . 1]" 1
851 1 45 SER HA 1 49 LEU HG 4.000 . 5.000 3.932 3.542 4.359 . 0 0 "[ . 1]" 1
852 1 45 SER HB2 1 46 TYR H 4.000 . 5.000 3.491 2.551 4.034 . 0 0 "[ . 1]" 1
853 1 45 SER HB3 1 46 TYR H 4.000 . 5.000 3.220 2.556 3.978 . 0 0 "[ . 1]" 1
854 1 45 SER HB2 1 49 LEU MD1 4.000 . 6.000 3.510 2.852 4.082 . 0 0 "[ . 1]" 1
855 1 45 SER HB3 1 49 LEU MD1 4.000 . 6.000 3.151 2.293 4.200 . 0 0 "[ . 1]" 1
856 1 46 TYR H 1 46 TYR HA 3.000 . 3.500 2.809 2.806 2.816 . 0 0 "[ . 1]" 1
857 1 46 TYR H 1 46 TYR HB2 4.000 . 5.000 2.385 2.243 2.568 . 0 0 "[ . 1]" 1
858 1 46 TYR H 1 46 TYR HB3 4.000 . 5.000 2.688 2.499 2.863 . 0 0 "[ . 1]" 1
859 1 46 TYR H 1 46 TYR QD 4.000 . 7.000 4.114 3.987 4.185 . 0 0 "[ . 1]" 1
860 1 46 TYR H 1 47 LEU H 4.000 . 5.000 2.714 2.664 2.787 . 0 0 "[ . 1]" 1
861 1 46 TYR H 1 47 LEU HG 4.000 . 5.000 4.351 4.050 4.689 . 0 0 "[ . 1]" 1
862 1 46 TYR HA 1 46 TYR QD 4.000 . 6.000 2.739 2.434 3.018 . 0 0 "[ . 1]" 1
863 1 46 TYR HA 1 46 TYR QE 4.000 . 6.000 4.471 4.295 4.600 . 0 0 "[ . 1]" 1
864 1 46 TYR HA 1 47 LEU H 4.000 . 5.000 3.541 3.516 3.567 . 0 0 "[ . 1]" 1
865 1 46 TYR HA 1 49 LEU H 4.000 . 5.000 3.644 3.531 3.801 . 0 0 "[ . 1]" 1
866 1 46 TYR HA 1 49 LEU QB 4.000 . 6.000 2.636 2.404 3.102 . 0 0 "[ . 1]" 1
867 1 46 TYR HA 1 49 LEU MD1 4.000 . 6.000 2.306 1.950 2.850 . 0 0 "[ . 1]" 1
868 1 46 TYR QB 1 47 LEU H 4.000 . 6.000 2.547 2.395 2.669 . 0 0 "[ . 1]" 1
869 1 46 TYR QD 1 47 LEU H 4.000 . 7.000 3.737 3.223 4.052 . 0 0 "[ . 1]" 1
870 1 46 TYR QD 1 47 LEU HA 4.000 . 7.000 3.502 3.182 3.993 . 0 0 "[ . 1]" 1
871 1 46 TYR QD 1 47 LEU HG 4.000 . 7.000 3.411 2.490 3.936 . 0 0 "[ . 1]" 1
872 1 46 TYR QD 1 47 LEU MD2 4.000 . 8.000 2.948 2.593 3.408 . 0 0 "[ . 1]" 1
873 1 46 TYR QE 1 47 LEU MD2 4.000 . 8.000 4.226 3.781 4.916 . 0 0 "[ . 1]" 1
874 1 46 TYR QE 1 53 TYR QE 4.000 . 9.000 4.371 3.461 5.994 . 0 0 "[ . 1]" 1
875 1 47 LEU H 1 47 LEU HB2 4.000 . 5.000 2.489 2.410 2.594 . 0 0 "[ . 1]" 1
876 1 47 LEU H 1 47 LEU HB3 4.000 . 5.000 3.598 3.580 3.611 . 0 0 "[ . 1]" 1
877 1 47 LEU H 1 47 LEU HG 4.000 . 5.000 2.159 1.948 2.324 . 0 0 "[ . 1]" 1
878 1 47 LEU H 1 47 LEU MD1 4.000 . 6.000 3.342 3.096 3.527 . 0 0 "[ . 1]" 1
879 1 47 LEU H 1 48 GLU H 4.000 . 5.000 2.560 2.482 2.665 . 0 0 "[ . 1]" 1
880 1 47 LEU H 1 48 GLU QB 4.000 . 6.000 4.442 4.261 4.575 . 0 0 "[ . 1]" 1
881 1 47 LEU H 1 57 MET ME 4.000 . 6.000 4.437 4.186 4.825 . 0 0 "[ . 1]" 1
882 1 47 LEU HA 1 47 LEU HG 4.000 . 5.000 2.873 2.631 3.066 . 0 0 "[ . 1]" 1
883 1 47 LEU HA 1 47 LEU MD1 4.000 . 6.000 3.850 3.813 3.894 . 0 0 "[ . 1]" 1
884 1 47 LEU HA 1 48 GLU H 4.000 . 5.000 3.550 3.520 3.566 . 0 0 "[ . 1]" 1
885 1 47 LEU HA 1 50 ASN H 4.000 . 5.000 3.660 3.377 4.015 . 0 0 "[ . 1]" 1
886 1 47 LEU HA 1 50 ASN QB 4.000 . 6.000 3.307 2.446 4.244 . 0 0 "[ . 1]" 1
887 1 47 LEU HA 1 53 TYR QB 4.000 . 6.000 2.602 2.345 3.223 . 0 0 "[ . 1]" 1
888 1 47 LEU HB2 1 48 GLU H 4.000 . 5.000 2.517 2.361 2.724 . 0 0 "[ . 1]" 1
889 1 47 LEU HB3 1 48 GLU H 4.000 . 5.000 3.616 3.528 3.767 . 0 0 "[ . 1]" 1
890 1 47 LEU QB 1 48 GLU HA 4.000 . 6.000 3.886 3.862 3.920 . 0 0 "[ . 1]" 1
891 1 47 LEU QB 1 57 MET ME 4.000 . 7.000 2.300 1.995 3.164 . 0 0 "[ . 1]" 1
892 1 47 LEU HG 1 48 GLU H 4.000 . 5.000 4.183 3.980 4.374 . 0 0 "[ . 1]" 1
893 1 47 LEU MD1 1 60 PHE QD 4.000 . 8.000 2.580 2.481 2.743 . 0 0 "[ . 1]" 1
894 1 47 LEU MD1 1 60 PHE QE 4.000 . 8.000 2.896 2.635 3.353 . 0 0 "[ . 1]" 1
895 1 47 LEU MD1 1 48 GLU H 4.000 . 6.000 4.286 3.995 4.564 . 0 0 "[ . 1]" 1
896 1 47 LEU MD2 1 53 TYR QD 4.000 . 8.000 2.530 2.202 3.149 . 0 0 "[ . 1]" 1
897 1 47 LEU MD1 1 57 MET ME 4.000 . 7.000 2.665 1.971 3.567 . 0 0 "[ . 1]" 1
898 1 47 LEU MD1 1 60 PHE HB2 4.000 . 6.000 2.598 2.286 3.113 . 0 0 "[ . 1]" 1
899 1 47 LEU MD1 1 60 PHE HB3 4.000 . 6.000 3.103 2.638 3.846 . 0 0 "[ . 1]" 1
900 1 48 GLU H 1 48 GLU HA 3.000 . 3.500 2.832 2.828 2.836 . 0 0 "[ . 1]" 1
901 1 48 GLU H 1 48 GLU HB2 4.000 . 5.000 2.358 2.196 2.538 . 0 0 "[ . 1]" 1
902 1 48 GLU H 1 48 GLU HB3 4.000 . 5.000 3.560 3.504 3.597 . 0 0 "[ . 1]" 1
903 1 48 GLU H 1 48 GLU HG2 4.000 . 5.000 3.348 2.033 4.003 . 0 0 "[ . 1]" 1
904 1 48 GLU H 1 48 GLU HG3 4.000 . 5.000 2.638 2.056 3.552 . 0 0 "[ . 1]" 1
905 1 48 GLU H 1 49 LEU H 4.000 . 5.000 2.620 2.557 2.696 . 0 0 "[ . 1]" 1
906 1 48 GLU H 1 57 MET ME 4.000 . 6.000 3.609 2.881 3.972 . 0 0 "[ . 1]" 1
907 1 48 GLU HA 1 48 GLU HG2 4.000 . 5.000 2.445 2.325 3.013 . 0 0 "[ . 1]" 1
908 1 48 GLU HA 1 48 GLU HG3 4.000 . 5.000 3.039 2.569 3.746 . 0 0 "[ . 1]" 1
909 1 48 GLU HA 1 49 LEU H 4.000 . 5.000 3.502 3.426 3.560 . 0 0 "[ . 1]" 1
910 1 48 GLU HA 1 50 ASN H 4.000 . 5.000 3.898 3.394 4.398 . 0 0 "[ . 1]" 1
911 1 48 GLU HA 1 54 LEU MD2 4.000 . 6.000 4.709 4.347 4.960 . 0 0 "[ . 1]" 1
912 1 48 GLU HA 1 57 MET ME 4.000 . 6.000 3.843 2.547 4.843 . 0 0 "[ . 1]" 1
913 1 48 GLU QB 1 49 LEU H 4.000 . 6.000 2.733 2.503 3.014 . 0 0 "[ . 1]" 1
914 1 48 GLU QB 1 49 LEU HG 4.000 . 6.000 3.591 3.098 4.130 . 0 0 "[ . 1]" 1
915 1 48 GLU QB 1 49 LEU MD2 4.000 . 7.000 4.613 4.093 5.162 . 0 0 "[ . 1]" 1
916 1 48 GLU HG2 1 49 LEU H 4.000 . 5.000 4.899 4.198 5.076 0.076 9 0 "[ . 1]" 1
917 1 48 GLU HG3 1 49 LEU H 4.000 . 5.000 4.589 4.332 5.016 0.016 2 0 "[ . 1]" 1
918 1 48 GLU HG2 1 57 MET ME 4.000 . 6.000 3.173 2.396 3.914 . 0 0 "[ . 1]" 1
919 1 48 GLU HG3 1 57 MET ME 4.000 . 6.000 3.023 2.011 4.578 . 0 0 "[ . 1]" 1
920 1 49 LEU H 1 49 LEU HA 3.000 . 3.500 2.837 2.832 2.841 . 0 0 "[ . 1]" 1
921 1 49 LEU H 1 49 LEU HB2 4.000 . 5.000 2.292 2.141 2.476 . 0 0 "[ . 1]" 1
922 1 49 LEU H 1 49 LEU HB3 4.000 . 5.000 3.536 3.459 3.588 . 0 0 "[ . 1]" 1
923 1 49 LEU H 1 49 LEU HG 4.000 . 5.000 2.660 2.186 3.122 . 0 0 "[ . 1]" 1
924 1 49 LEU H 1 49 LEU MD1 4.000 . 6.000 3.255 3.029 3.422 . 0 0 "[ . 1]" 1
925 1 49 LEU H 1 49 LEU MD2 4.000 . 6.000 3.963 3.708 4.205 . 0 0 "[ . 1]" 1
926 1 49 LEU H 1 50 ASN H 3.000 . 3.500 2.600 2.566 2.643 . 0 0 "[ . 1]" 1
927 1 49 LEU H 1 50 ASN QB 4.000 . 6.000 4.515 4.333 4.861 . 0 0 "[ . 1]" 1
928 1 49 LEU HA 1 49 LEU HG 4.000 . 5.000 2.461 2.239 2.660 . 0 0 "[ . 1]" 1
929 1 49 LEU HA 1 49 LEU MD1 4.000 . 6.000 3.766 3.667 3.858 . 0 0 "[ . 1]" 1
930 1 49 LEU HA 1 49 LEU MD2 4.000 . 6.000 2.267 2.168 2.353 . 0 0 "[ . 1]" 1
931 1 49 LEU HA 1 50 ASN H 4.000 . 5.000 3.451 3.366 3.530 . 0 0 "[ . 1]" 1
932 1 49 LEU HB2 1 50 ASN H 4.000 . 5.000 3.080 2.711 3.450 . 0 0 "[ . 1]" 1
933 1 49 LEU HB3 1 50 ASN H 4.000 . 5.000 3.772 3.570 3.931 . 0 0 "[ . 1]" 1
934 1 49 LEU HG 1 50 ASN H 4.000 . 5.000 4.640 4.320 4.895 . 0 0 "[ . 1]" 1
935 1 49 LEU MD1 1 50 ASN H 4.000 . 6.000 4.695 4.239 5.035 . 0 0 "[ . 1]" 1
936 1 50 ASN H 1 50 ASN HB2 4.000 . 5.000 2.686 2.224 3.223 . 0 0 "[ . 1]" 1
937 1 50 ASN H 1 50 ASN HB3 4.000 . 5.000 3.231 2.750 3.939 . 0 0 "[ . 1]" 1
938 1 50 ASN HA 1 52 ASP H 4.000 . 5.000 3.632 3.463 3.895 . 0 0 "[ . 1]" 1
939 1 50 ASN HB2 1 50 ASN HD22 4.000 . 5.000 3.688 3.508 4.108 . 0 0 "[ . 1]" 1
940 1 50 ASN HB3 1 50 ASN HD22 4.000 . 5.000 3.888 3.602 4.107 . 0 0 "[ . 1]" 1
941 1 50 ASN QB 1 52 ASP H 4.000 . 6.000 3.301 2.649 3.936 . 0 0 "[ . 1]" 1
942 1 50 ASN HB2 1 53 TYR QD 4.000 . 7.000 3.292 2.176 4.200 . 0 0 "[ . 1]" 1
943 1 50 ASN HB3 1 53 TYR QD 4.000 . 7.000 2.609 2.011 3.978 . 0 0 "[ . 1]" 1
944 1 50 ASN QB 1 53 TYR QE 4.000 . 8.000 3.676 2.880 4.728 . 0 0 "[ . 1]" 1
945 1 50 ASN HD22 1 53 TYR QD 4.000 . 7.000 4.296 2.965 5.323 . 0 0 "[ . 1]" 1
946 1 50 ASN HD21 1 53 TYR QE 4.000 . 7.000 4.136 2.684 5.355 . 0 0 "[ . 1]" 1
947 1 50 ASN HD22 1 53 TYR QE 4.000 . 7.000 4.312 3.030 5.786 . 0 0 "[ . 1]" 1
948 1 51 ALA HA 1 52 ASP H 4.000 . 5.000 3.482 3.454 3.534 . 0 0 "[ . 1]" 1
949 1 51 ALA HA 1 54 LEU H 4.000 . 5.000 3.054 2.793 3.282 . 0 0 "[ . 1]" 1
950 1 51 ALA HA 1 54 LEU HB2 4.000 . 5.000 2.248 2.032 2.385 . 0 0 "[ . 1]" 1
951 1 51 ALA HA 1 54 LEU HB3 4.000 . 5.000 2.569 2.135 3.132 . 0 0 "[ . 1]" 1
952 1 51 ALA HA 1 54 LEU MD2 4.000 . 6.000 3.028 2.730 3.401 . 0 0 "[ . 1]" 1
953 1 51 ALA MB 1 52 ASP H 4.000 . 6.000 2.813 2.565 2.906 . 0 0 "[ . 1]" 1
954 1 51 ALA MB 1 52 ASP HA 4.000 . 6.000 3.853 3.785 3.899 . 0 0 "[ . 1]" 1
955 1 51 ALA MB 1 54 LEU H 4.000 . 6.000 4.261 4.073 4.413 . 0 0 "[ . 1]" 1
956 1 51 ALA MB 1 54 LEU QB 4.000 . 7.000 3.266 2.983 3.596 . 0 0 "[ . 1]" 1
957 1 51 ALA MB 1 54 LEU MD2 4.000 . 7.000 3.386 3.086 3.746 . 0 0 "[ . 1]" 1
958 1 52 ASP H 1 52 ASP HA 3.000 . 3.500 2.816 2.787 2.839 . 0 0 "[ . 1]" 1
959 1 52 ASP H 1 52 ASP QB 3.000 . 4.500 2.441 2.351 2.610 . 0 0 "[ . 1]" 1
960 1 52 ASP H 1 53 TYR QD 4.000 . 7.000 3.936 3.454 4.859 . 0 0 "[ . 1]" 1
961 1 52 ASP H 1 54 LEU H 4.000 . 5.000 3.787 3.626 3.974 . 0 0 "[ . 1]" 1
962 1 52 ASP HA 1 54 LEU H 4.000 . 5.000 4.238 4.100 4.361 . 0 0 "[ . 1]" 1
963 1 52 ASP QB 1 53 TYR QD 4.000 . 8.000 2.608 2.149 3.164 . 0 0 "[ . 1]" 1
964 1 52 ASP QB 1 53 TYR QE 4.000 . 8.000 3.097 2.809 3.543 . 0 0 "[ . 1]" 1
965 1 53 TYR HA 1 54 LEU H 4.000 . 5.000 3.408 3.342 3.458 . 0 0 "[ . 1]" 1
966 1 53 TYR HB2 1 54 LEU H 4.000 . 5.000 3.233 3.047 3.464 . 0 0 "[ . 1]" 1
967 1 53 TYR HB3 1 54 LEU H 4.000 . 5.000 4.065 3.832 4.405 . 0 0 "[ . 1]" 1
968 1 53 TYR QB 1 56 THR MG 4.000 . 7.000 3.475 2.395 4.613 . 0 0 "[ . 1]" 1
969 1 53 TYR QD 1 56 THR HB 4.000 . 7.000 5.046 2.731 6.180 . 0 0 "[ . 1]" 1
970 1 53 TYR QD 1 56 THR MG 4.000 . 8.000 3.474 2.662 4.678 . 0 0 "[ . 1]" 1
971 1 53 TYR QE 1 56 THR MG 4.000 . 8.000 4.798 3.738 5.732 . 0 0 "[ . 1]" 1
972 1 54 LEU H 1 54 LEU HB2 3.000 . 3.500 2.479 2.270 2.559 . 0 0 "[ . 1]" 1
973 1 54 LEU H 1 54 LEU HB3 3.000 . 3.500 2.590 2.523 2.834 . 0 0 "[ . 1]" 1
974 1 54 LEU H 1 54 LEU MD1 4.000 . 6.000 3.941 3.731 4.007 . 0 0 "[ . 1]" 1
975 1 54 LEU H 1 54 LEU MD2 4.000 . 6.000 4.294 4.272 4.348 . 0 0 "[ . 1]" 1
976 1 54 LEU H 1 56 THR H 4.000 . 5.000 4.326 4.091 4.634 . 0 0 "[ . 1]" 1
977 1 54 LEU HA 1 54 LEU HG 4.000 . 5.000 3.016 2.527 3.194 . 0 0 "[ . 1]" 1
978 1 54 LEU HA 1 54 LEU MD1 4.000 . 6.000 2.070 1.964 2.157 . 0 0 "[ . 1]" 1
979 1 54 LEU HA 1 54 LEU MD2 4.000 . 6.000 3.798 3.774 3.836 . 0 0 "[ . 1]" 1
980 1 54 LEU HA 1 56 THR H 4.000 . 5.000 3.548 3.232 3.777 . 0 0 "[ . 1]" 1
981 1 54 LEU HA 1 57 MET QG 4.000 . 6.000 3.317 2.040 5.121 . 0 0 "[ . 1]" 1
982 1 54 LEU HG 1 56 THR H 4.000 . 5.000 4.782 4.287 5.007 0.007 3 0 "[ . 1]" 1
983 1 54 LEU MD1 1 56 THR H 4.000 . 6.000 4.588 4.411 4.891 . 0 0 "[ . 1]" 1
984 1 54 LEU MD1 1 57 MET QG 4.000 . 7.000 2.882 2.011 4.173 . 0 0 "[ . 1]" 1
985 1 55 HIS HB2 1 56 THR H 4.000 . 5.000 4.189 3.615 4.608 . 0 0 "[ . 1]" 1
986 1 55 HIS HB3 1 56 THR H 4.000 . 5.000 4.214 3.728 4.493 . 0 0 "[ . 1]" 1
987 1 55 HIS QB 1 56 THR MG 4.000 . 7.000 3.998 2.684 5.133 . 0 0 "[ . 1]" 1
988 1 56 THR H 1 56 THR HA 3.000 . 3.500 2.931 2.923 2.941 . 0 0 "[ . 1]" 1
989 1 56 THR H 1 56 THR HB 4.000 . 5.000 3.355 2.952 3.911 . 0 0 "[ . 1]" 1
990 1 56 THR H 1 56 THR MG 4.000 . 6.000 2.837 2.282 3.997 . 0 0 "[ . 1]" 1
991 1 56 THR H 1 57 MET QB 4.000 . 6.000 3.926 3.516 4.310 . 0 0 "[ . 1]" 1
992 1 56 THR H 1 57 MET QG 4.000 . 6.000 4.032 2.834 5.447 . 0 0 "[ . 1]" 1
993 1 56 THR H 1 58 ALA H 4.000 . 5.000 4.405 3.979 4.660 . 0 0 "[ . 1]" 1
994 1 56 THR HA 1 58 ALA H 4.000 . 5.000 3.510 3.320 3.822 . 0 0 "[ . 1]" 1
995 1 56 THR HA 1 59 THR H 4.000 . 5.000 3.285 3.025 3.486 . 0 0 "[ . 1]" 1
996 1 56 THR HB 1 59 THR H 4.000 . 5.000 4.772 3.703 5.128 0.128 2 0 "[ . 1]" 1
997 1 56 THR MG 1 58 ALA H 4.000 . 6.000 4.887 4.650 5.105 . 0 0 "[ . 1]" 1
998 1 57 MET HA 1 60 PHE QD 4.000 . 7.000 3.972 3.436 4.572 . 0 0 "[ . 1]" 1
999 1 57 MET HA 1 57 MET ME 4.000 . 6.000 2.326 2.105 2.956 . 0 0 "[ . 1]" 1
1000 1 57 MET HA 1 58 ALA H 4.000 . 5.000 3.518 3.475 3.559 . 0 0 "[ . 1]" 1
1001 1 57 MET HA 1 60 PHE H 4.000 . 5.000 3.325 3.213 3.496 . 0 0 "[ . 1]" 1
1002 1 57 MET HA 1 60 PHE HB2 4.000 . 5.000 3.606 3.220 3.959 . 0 0 "[ . 1]" 1
1003 1 57 MET HA 1 60 PHE HB3 4.000 . 5.000 2.668 2.420 3.049 . 0 0 "[ . 1]" 1
1004 1 57 MET HA 1 61 ASP H 4.000 . 5.000 4.001 3.565 4.435 . 0 0 "[ . 1]" 1
1005 1 57 MET QB 1 57 MET ME 4.000 . 7.000 2.422 2.023 3.409 . 0 0 "[ . 1]" 1
1006 1 57 MET HB2 1 58 ALA H 4.000 . 5.000 3.125 2.628 4.146 . 0 0 "[ . 1]" 1
1007 1 57 MET HB3 1 58 ALA H 4.000 . 5.000 3.294 2.395 3.779 . 0 0 "[ . 1]" 1
1008 1 57 MET QG 1 58 ALA H 4.000 . 6.000 4.011 3.178 4.552 . 0 0 "[ . 1]" 1
1009 1 57 MET ME 1 60 PHE QD 4.000 . 8.000 2.846 2.180 3.837 . 0 0 "[ . 1]" 1
1010 1 57 MET ME 1 60 PHE QE 4.000 . 8.000 4.089 3.457 5.039 . 0 0 "[ . 1]" 1
1011 1 57 MET ME 1 58 ALA H 4.000 . 6.000 4.852 4.658 4.975 . 0 0 "[ . 1]" 1
1012 1 57 MET ME 1 60 PHE QB 4.000 . 7.000 2.925 2.425 3.202 . 0 0 "[ . 1]" 1
1013 1 58 ALA H 1 59 THR H 3.000 . 3.500 2.682 2.618 2.745 . 0 0 "[ . 1]" 1
1014 1 58 ALA H 1 59 THR HB 4.000 . 5.000 4.997 4.893 5.051 0.051 9 0 "[ . 1]" 1
1015 1 58 ALA HA 1 59 THR H 4.000 . 5.000 3.524 3.503 3.553 . 0 0 "[ . 1]" 1
1016 1 58 ALA HA 1 61 ASP H 4.000 . 5.000 3.784 3.639 3.980 . 0 0 "[ . 1]" 1
1017 1 58 ALA HA 1 61 ASP QB 4.000 . 6.000 3.009 2.786 3.221 . 0 0 "[ . 1]" 1
1018 1 58 ALA MB 1 59 THR H 4.000 . 6.000 2.624 2.400 2.791 . 0 0 "[ . 1]" 1
1019 1 58 ALA MB 1 59 THR HA 4.000 . 6.000 3.841 3.794 3.869 . 0 0 "[ . 1]" 1
1020 1 58 ALA MB 1 59 THR HB 4.000 . 6.000 4.690 4.528 4.809 . 0 0 "[ . 1]" 1
1021 1 58 ALA MB 1 60 PHE H 4.000 . 6.000 4.585 4.441 4.749 . 0 0 "[ . 1]" 1
1022 1 58 ALA MB 1 61 ASP H 4.000 . 6.000 4.892 4.809 4.947 . 0 0 "[ . 1]" 1
1023 1 59 THR H 1 59 THR HA 3.000 . 3.500 2.865 2.859 2.871 . 0 0 "[ . 1]" 1
1024 1 59 THR H 1 59 THR HB 3.000 . 3.500 2.552 2.483 2.602 . 0 0 "[ . 1]" 1
1025 1 59 THR H 1 59 THR MG 4.000 . 6.000 3.755 3.750 3.760 . 0 0 "[ . 1]" 1
1026 1 59 THR H 1 60 PHE H 4.000 . 5.000 2.545 2.496 2.593 . 0 0 "[ . 1]" 1
1027 1 59 THR H 1 60 PHE QB 4.000 . 6.000 4.284 4.235 4.318 . 0 0 "[ . 1]" 1
1028 1 59 THR H 1 61 ASP H 4.000 . 5.000 4.233 4.189 4.283 . 0 0 "[ . 1]" 1
1029 1 59 THR HA 1 60 PHE H 4.000 . 5.000 3.549 3.527 3.566 . 0 0 "[ . 1]" 1
1030 1 59 THR HA 1 62 GLU H 4.000 . 5.000 3.553 3.457 3.669 . 0 0 "[ . 1]" 1
1031 1 59 THR HA 1 62 GLU QB 3.000 . 4.500 2.667 2.461 2.840 . 0 0 "[ . 1]" 1
1032 1 59 THR HA 1 62 GLU QG 4.000 . 6.000 4.423 4.198 4.716 . 0 0 "[ . 1]" 1
1033 1 59 THR HA 1 63 ALA H 4.000 . 5.000 3.981 3.808 4.315 . 0 0 "[ . 1]" 1
1034 1 59 THR HB 1 60 PHE H 4.000 . 5.000 2.597 2.484 2.717 . 0 0 "[ . 1]" 1
1035 1 59 THR MG 1 60 PHE H 4.000 . 6.000 3.586 3.391 3.722 . 0 0 "[ . 1]" 1
1036 1 59 THR MG 1 62 GLU QB 4.000 . 7.000 3.557 3.399 3.724 . 0 0 "[ . 1]" 1
1037 1 59 THR MG 1 63 ALA MB 4.000 . 7.000 3.076 2.779 3.564 . 0 0 "[ . 1]" 1
1038 1 60 PHE H 1 60 PHE HB2 4.000 . 5.000 2.695 2.595 2.852 . 0 0 "[ . 1]" 1
1039 1 60 PHE H 1 60 PHE HB3 4.000 . 5.000 2.396 2.268 2.489 . 0 0 "[ . 1]" 1
1040 1 60 PHE H 1 61 ASP H 4.000 . 5.000 2.756 2.700 2.817 . 0 0 "[ . 1]" 1
1041 1 60 PHE H 1 62 GLU H 4.000 . 5.000 4.166 4.107 4.284 . 0 0 "[ . 1]" 1
1042 1 60 PHE H 1 63 ALA MB 4.000 . 6.000 4.488 4.342 4.706 . 0 0 "[ . 1]" 1
1043 1 60 PHE HA 1 60 PHE QD 4.000 . 6.000 2.482 2.291 2.656 . 0 0 "[ . 1]" 1
1044 1 60 PHE HA 1 61 ASP H 4.000 . 5.000 3.567 3.564 3.571 . 0 0 "[ . 1]" 1
1045 1 60 PHE HA 1 63 ALA H 4.000 . 5.000 3.358 3.234 3.440 . 0 0 "[ . 1]" 1
1046 1 60 PHE HA 1 63 ALA MB 4.000 . 6.000 2.490 2.375 2.586 . 0 0 "[ . 1]" 1
1047 1 60 PHE QB 1 60 PHE QE 4.000 . 8.000 3.973 3.966 3.986 . 0 0 "[ . 1]" 1
1048 1 60 PHE HB2 1 61 ASP H 4.000 . 5.000 3.861 3.814 3.921 . 0 0 "[ . 1]" 1
1049 1 60 PHE HB3 1 61 ASP H 4.000 . 5.000 2.459 2.410 2.540 . 0 0 "[ . 1]" 1
1050 1 33 PHE QD 1 34 PRO QG 4.000 . 8.000 3.786 3.451 4.636 . 0 0 "[ . 1]" 1
1051 1 33 PHE QD 1 34 PRO QD 4.000 . 8.000 2.785 2.514 3.116 . 0 0 "[ . 1]" 1
1052 1 33 PHE QD 1 35 LYS H 4.000 . 7.000 3.138 2.417 3.875 . 0 0 "[ . 1]" 1
1053 1 33 PHE QD 1 35 LYS HA 4.000 . 7.000 2.879 2.483 3.540 . 0 0 "[ . 1]" 1
1054 1 33 PHE QE 1 34 PRO QD 4.000 . 8.000 3.408 3.280 3.856 . 0 0 "[ . 1]" 1
1055 1 33 PHE QE 1 35 LYS HA 4.000 . 7.000 3.638 2.286 5.169 . 0 0 "[ . 1]" 1
1056 1 33 PHE QE 1 43 ILE MG 4.000 . 8.000 2.858 1.903 3.636 . 0 0 "[ . 1]" 1
1057 1 33 PHE QE 1 43 ILE MD 4.000 . 8.000 2.901 2.280 3.441 . 0 0 "[ . 1]" 1
1058 1 33 PHE QE 1 47 LEU MD1 4.000 . 8.000 4.035 2.863 4.834 . 0 0 "[ . 1]" 1
1059 1 33 PHE QE 1 47 LEU MD2 4.000 . 8.000 3.406 2.962 4.108 . 0 0 "[ . 1]" 1
1060 1 33 PHE HZ 1 43 ILE MG 4.000 . 6.000 2.800 2.160 3.426 . 0 0 "[ . 1]" 1
1061 1 33 PHE HZ 1 43 ILE MD 4.000 . 6.000 2.743 1.994 4.584 . 0 0 "[ . 1]" 1
1062 1 61 ASP H 1 61 ASP HB2 3.000 . 3.500 2.434 2.228 2.673 . 0 0 "[ . 1]" 1
1063 1 61 ASP H 1 61 ASP HB3 3.000 . 3.500 3.037 2.461 3.569 0.069 9 0 "[ . 1]" 1
1064 1 61 ASP H 1 62 GLU H 4.000 . 5.000 2.797 2.761 2.830 . 0 0 "[ . 1]" 1
1065 1 61 ASP H 1 62 GLU QB 4.000 . 6.000 4.525 4.480 4.567 . 0 0 "[ . 1]" 1
1066 1 61 ASP H 1 63 ALA H 4.000 . 5.000 4.145 4.071 4.229 . 0 0 "[ . 1]" 1
1067 1 61 ASP HA 1 62 GLU H 4.000 . 5.000 3.551 3.545 3.557 . 0 0 "[ . 1]" 1
1068 1 61 ASP HA 1 64 TRP H 4.000 . 5.000 3.681 3.597 3.803 . 0 0 "[ . 1]" 1
1069 1 61 ASP HA 1 64 TRP QB 4.000 . 6.000 2.960 2.808 3.076 . 0 0 "[ . 1]" 1
1070 1 61 ASP HA 1 65 ASP H 4.000 . 5.000 4.300 4.164 4.453 . 0 0 "[ . 1]" 1
1071 1 61 ASP HB2 1 62 GLU H 4.000 . 5.000 3.232 2.471 3.843 . 0 0 "[ . 1]" 1
1072 1 61 ASP HB3 1 62 GLU H 4.000 . 5.000 2.873 2.381 3.710 . 0 0 "[ . 1]" 1
1073 1 62 GLU H 1 62 GLU HA 3.000 . 3.500 2.834 2.824 2.841 . 0 0 "[ . 1]" 1
1074 1 62 GLU H 1 62 GLU QB 3.000 . 4.500 2.233 2.201 2.253 . 0 0 "[ . 1]" 1
1075 1 62 GLU H 1 62 GLU HG2 4.000 . 5.000 4.469 4.316 4.642 . 0 0 "[ . 1]" 1
1076 1 62 GLU H 1 62 GLU HG3 4.000 . 5.000 4.511 4.422 4.653 . 0 0 "[ . 1]" 1
1077 1 62 GLU H 1 63 ALA H 4.000 . 5.000 2.645 2.599 2.690 . 0 0 "[ . 1]" 1
1078 1 62 GLU H 1 63 ALA MB 4.000 . 6.000 4.308 4.269 4.351 . 0 0 "[ . 1]" 1
1079 1 62 GLU H 1 64 TRP H 4.000 . 5.000 4.240 4.180 4.290 . 0 0 "[ . 1]" 1
1080 1 62 GLU HA 1 62 GLU HG2 4.000 . 5.000 3.185 2.382 3.697 . 0 0 "[ . 1]" 1
1081 1 62 GLU HA 1 62 GLU HG3 4.000 . 5.000 2.904 2.388 3.592 . 0 0 "[ . 1]" 1
1082 1 62 GLU HA 1 63 ALA H 4.000 . 5.000 3.550 3.539 3.564 . 0 0 "[ . 1]" 1
1083 1 62 GLU HA 1 65 ASP H 3.000 . 3.500 3.520 3.506 3.541 0.041 3 0 "[ . 1]" 1
1084 1 62 GLU HA 1 65 ASP QB 4.000 . 6.000 2.801 2.699 3.082 . 0 0 "[ . 1]" 1
1085 1 62 GLU HA 1 66 GLN H 4.000 . 5.000 4.488 4.357 4.557 . 0 0 "[ . 1]" 1
1086 1 62 GLU QB 1 63 ALA H 4.000 . 6.000 2.575 2.498 2.677 . 0 0 "[ . 1]" 1
1087 1 62 GLU HG2 1 63 ALA H 4.000 . 5.000 4.105 3.455 4.797 . 0 0 "[ . 1]" 1
1088 1 62 GLU HG3 1 63 ALA H 4.000 . 5.000 4.389 3.778 4.823 . 0 0 "[ . 1]" 1
1089 1 62 GLU QG 1 66 GLN HE21 4.000 . 6.000 4.360 3.672 5.234 . 0 0 "[ . 1]" 1
1090 1 63 ALA H 1 64 TRP H 4.000 . 5.000 2.729 2.711 2.770 . 0 0 "[ . 1]" 1
1091 1 63 ALA H 1 65 ASP H 4.000 . 5.000 4.222 4.165 4.276 . 0 0 "[ . 1]" 1
1092 1 63 ALA HA 1 64 TRP H 4.000 . 5.000 3.560 3.553 3.569 . 0 0 "[ . 1]" 1
1093 1 63 ALA HA 1 66 GLN H 4.000 . 5.000 3.458 3.412 3.538 . 0 0 "[ . 1]" 1
1094 1 63 ALA HA 1 66 GLN HB2 4.000 . 5.000 3.128 2.858 3.484 . 0 0 "[ . 1]" 1
1095 1 63 ALA HA 1 66 GLN HB3 4.000 . 5.000 3.983 3.014 4.644 . 0 0 "[ . 1]" 1
1096 1 63 ALA HA 1 66 GLN QG 4.000 . 6.000 3.605 2.682 4.712 . 0 0 "[ . 1]" 1
1097 1 63 ALA MB 1 64 TRP H 4.000 . 6.000 2.386 2.355 2.421 . 0 0 "[ . 1]" 1
1098 1 63 ALA MB 1 64 TRP HA 4.000 . 6.000 3.764 3.725 3.798 . 0 0 "[ . 1]" 1
1099 1 63 ALA MB 1 65 ASP H 4.000 . 6.000 4.533 4.483 4.573 . 0 0 "[ . 1]" 1
1100 1 63 ALA MB 1 66 GLN H 4.000 . 6.000 4.528 4.488 4.603 . 0 0 "[ . 1]" 1
1101 1 64 TRP H 1 64 TRP HB2 4.000 . 5.000 2.374 2.297 2.511 . 0 0 "[ . 1]" 1
1102 1 64 TRP H 1 64 TRP HB3 4.000 . 5.000 2.733 2.598 2.830 . 0 0 "[ . 1]" 1
1103 1 64 TRP H 1 64 TRP HE3 4.000 . 5.000 4.376 4.176 4.628 . 0 0 "[ . 1]" 1
1104 1 64 TRP H 1 65 ASP H 3.000 . 3.500 2.799 2.757 2.829 . 0 0 "[ . 1]" 1
1105 1 64 TRP H 1 66 GLN H 4.000 . 5.000 4.176 4.115 4.221 . 0 0 "[ . 1]" 1
1106 1 64 TRP HA 1 64 TRP HD1 4.000 . 5.000 4.004 3.759 4.215 . 0 0 "[ . 1]" 1
1107 1 64 TRP HA 1 64 TRP HE3 4.000 . 5.000 3.141 2.935 3.519 . 0 0 "[ . 1]" 1
1108 1 64 TRP HA 1 65 ASP H 4.000 . 5.000 3.562 3.552 3.570 . 0 0 "[ . 1]" 1
1109 1 64 TRP HA 1 67 TYR H 4.000 . 5.000 3.235 3.200 3.263 . 0 0 "[ . 1]" 1
1110 1 64 TRP HA 1 67 TYR HA 4.000 . 5.000 5.021 4.977 5.037 0.037 5 0 "[ . 1]" 1
1111 1 64 TRP HA 1 67 TYR QB 4.000 . 6.000 2.287 2.200 2.378 . 0 0 "[ . 1]" 1
1112 1 64 TRP HA 1 67 TYR QD 4.000 . 7.000 3.886 3.539 4.241 . 0 0 "[ . 1]" 1
1113 1 64 TRP HA 1 68 GLU H 4.000 . 5.000 3.805 3.716 3.912 . 0 0 "[ . 1]" 1
1114 1 64 TRP HB2 1 64 TRP HE3 4.000 . 5.000 2.649 2.546 2.705 . 0 0 "[ . 1]" 1
1115 1 64 TRP HB3 1 64 TRP HE3 4.000 . 5.000 4.162 4.083 4.195 . 0 0 "[ . 1]" 1
1116 1 64 TRP HB2 1 65 ASP H 4.000 . 5.000 3.691 3.618 3.814 . 0 0 "[ . 1]" 1
1117 1 64 TRP HB3 1 65 ASP H 4.000 . 5.000 2.446 2.392 2.497 . 0 0 "[ . 1]" 1
1118 1 64 TRP HD1 1 65 ASP H 4.000 . 5.000 3.826 3.631 4.060 . 0 0 "[ . 1]" 1
1119 1 64 TRP HD1 1 65 ASP HA 4.000 . 5.000 3.382 3.214 3.616 . 0 0 "[ . 1]" 1
1120 1 64 TRP HD1 1 68 GLU QB 4.000 . 6.000 3.697 3.269 4.078 . 0 0 "[ . 1]" 1
1121 1 64 TRP HE1 1 68 GLU H 4.000 . 5.000 4.991 4.859 5.028 0.028 2 0 "[ . 1]" 1
1122 1 64 TRP HE1 1 68 GLU QB 4.000 . 6.000 3.688 3.104 4.471 . 0 0 "[ . 1]" 1
1123 1 64 TRP HE1 1 68 GLU QG 4.000 . 6.000 3.666 2.225 4.990 . 0 0 "[ . 1]" 1
1124 1 64 TRP HZ2 1 67 TYR QE 4.000 . 7.000 4.412 3.810 4.911 . 0 0 "[ . 1]" 1
1125 1 64 TRP HH2 1 67 TYR QE 4.000 . 7.000 4.569 3.535 5.445 . 0 0 "[ . 1]" 1
1126 1 65 ASP H 1 65 ASP HB2 4.000 . 5.000 2.482 2.266 2.712 . 0 0 "[ . 1]" 1
1127 1 65 ASP H 1 65 ASP HB3 4.000 . 5.000 3.125 2.469 3.601 . 0 0 "[ . 1]" 1
1128 1 65 ASP H 1 66 GLN H 4.000 . 5.000 2.782 2.752 2.802 . 0 0 "[ . 1]" 1
1129 1 65 ASP HA 1 66 GLN H 4.000 . 5.000 3.538 3.529 3.544 . 0 0 "[ . 1]" 1
1130 1 65 ASP HA 1 68 GLU H 4.000 . 5.000 3.947 3.822 4.031 . 0 0 "[ . 1]" 1
1131 1 65 ASP HA 1 68 GLU QB 4.000 . 6.000 3.455 2.918 4.253 . 0 0 "[ . 1]" 1
1132 1 65 ASP HB2 1 66 GLN H 4.000 . 5.000 3.224 2.555 3.981 . 0 0 "[ . 1]" 1
1133 1 65 ASP HB3 1 66 GLN H 4.000 . 5.000 3.129 2.566 3.796 . 0 0 "[ . 1]" 1
1134 1 66 GLN H 1 66 GLN HA 3.000 . 3.500 2.864 2.857 2.869 . 0 0 "[ . 1]" 1
1135 1 66 GLN H 1 66 GLN HB2 3.000 . 3.500 2.444 2.338 2.565 . 0 0 "[ . 1]" 1
1136 1 66 GLN H 1 66 GLN HB3 4.000 . 5.000 3.239 2.659 3.608 . 0 0 "[ . 1]" 1
1137 1 66 GLN H 1 66 GLN HG2 4.000 . 5.000 3.287 2.138 4.671 . 0 0 "[ . 1]" 1
1138 1 66 GLN H 1 66 GLN HG3 4.000 . 5.000 3.689 2.478 4.466 . 0 0 "[ . 1]" 1
1139 1 66 GLN H 1 67 TYR H 3.000 . 3.500 2.552 2.520 2.580 . 0 0 "[ . 1]" 1
1140 1 66 GLN H 1 68 GLU H 4.000 . 5.000 4.387 4.281 4.455 . 0 0 "[ . 1]" 1
1141 1 66 GLN HA 1 66 GLN HG2 4.000 . 5.000 3.029 2.403 3.679 . 0 0 "[ . 1]" 1
1142 1 66 GLN HA 1 66 GLN HG3 4.000 . 5.000 3.252 2.426 3.775 . 0 0 "[ . 1]" 1
1143 1 66 GLN HA 1 66 GLN HE21 4.000 . 5.000 4.339 3.710 4.908 . 0 0 "[ . 1]" 1
1144 1 66 GLN HA 1 66 GLN HE22 4.000 . 5.000 4.541 4.025 4.955 . 0 0 "[ . 1]" 1
1145 1 66 GLN HA 1 67 TYR H 4.000 . 5.000 3.551 3.540 3.554 . 0 0 "[ . 1]" 1
1146 1 66 GLN HA 1 68 GLU H 4.000 . 5.000 4.768 4.689 4.903 . 0 0 "[ . 1]" 1
1147 1 66 GLN HA 1 69 SER H 4.000 . 5.000 3.529 3.424 3.639 . 0 0 "[ . 1]" 1
1148 1 66 GLN HA 1 69 SER QB 3.000 . 4.500 2.549 2.329 3.111 . 0 0 "[ . 1]" 1
1149 1 66 GLN HA 1 70 GLU H 4.000 . 5.000 4.491 4.413 4.563 . 0 0 "[ . 1]" 1
1150 1 66 GLN HB2 1 67 TYR H 4.000 . 5.000 2.991 2.486 3.679 . 0 0 "[ . 1]" 1
1151 1 66 GLN HB3 1 67 TYR H 4.000 . 5.000 3.158 2.424 3.668 . 0 0 "[ . 1]" 1
1152 1 66 GLN HE22 1 66 GLN HG2 4.000 . 5.000 3.805 3.509 4.089 . 0 0 "[ . 1]" 1
1153 1 66 GLN HE22 1 66 GLN HG3 4.000 . 5.000 3.812 3.509 4.118 . 0 0 "[ . 1]" 1
1154 1 66 GLN HG2 1 67 TYR H 4.000 . 5.000 4.440 4.197 4.649 . 0 0 "[ . 1]" 1
1155 1 66 GLN HG3 1 67 TYR H 4.000 . 5.000 4.392 3.983 4.836 . 0 0 "[ . 1]" 1
1156 1 67 TYR H 1 67 TYR HA 3.000 . 3.500 2.777 2.770 2.792 . 0 0 "[ . 1]" 1
1157 1 67 TYR H 1 67 TYR HB2 4.000 . 5.000 2.597 2.486 2.687 . 0 0 "[ . 1]" 1
1158 1 67 TYR H 1 67 TYR HB3 4.000 . 5.000 2.473 2.389 2.565 . 0 0 "[ . 1]" 1
1159 1 67 TYR H 1 67 TYR QD 4.000 . 7.000 4.176 4.160 4.189 . 0 0 "[ . 1]" 1
1160 1 67 TYR H 1 68 GLU H 3.000 . 3.500 2.940 2.899 2.982 . 0 0 "[ . 1]" 1
1161 1 67 TYR H 1 68 GLU QB 4.000 . 6.000 4.813 4.585 5.231 . 0 0 "[ . 1]" 1
1162 1 67 TYR H 1 69 SER H 4.000 . 5.000 4.209 4.023 4.335 . 0 0 "[ . 1]" 1
1163 1 67 TYR HA 1 68 GLU H 4.000 . 5.000 3.574 3.565 3.587 . 0 0 "[ . 1]" 1
1164 1 67 TYR HA 1 70 GLU H 4.000 . 5.000 3.645 3.579 3.727 . 0 0 "[ . 1]" 1
1165 1 67 TYR HA 1 70 GLU HB2 4.000 . 5.000 3.295 3.094 3.465 . 0 0 "[ . 1]" 1
1166 1 67 TYR HA 1 70 GLU HB3 4.000 . 5.000 4.799 4.593 5.011 0.011 1 0 "[ . 1]" 1
1167 1 67 TYR HA 1 70 GLU HG2 4.000 . 5.000 4.060 3.876 4.190 . 0 0 "[ . 1]" 1
1168 1 67 TYR HA 1 70 GLU HG3 4.000 . 5.000 2.825 2.602 2.984 . 0 0 "[ . 1]" 1
1169 1 67 TYR HA 1 71 VAL H 4.000 . 5.000 4.431 4.079 4.638 . 0 0 "[ . 1]" 1
1170 1 67 TYR HA 1 71 VAL MG2 4.000 . 6.000 3.762 3.538 3.880 . 0 0 "[ . 1]" 1
1171 1 67 TYR HB2 1 68 GLU H 4.000 . 5.000 3.746 3.696 3.820 . 0 0 "[ . 1]" 1
1172 1 67 TYR HB3 1 68 GLU H 4.000 . 5.000 2.290 2.234 2.384 . 0 0 "[ . 1]" 1
1173 1 67 TYR QD 1 68 GLU H 4.000 . 7.000 2.894 2.700 3.192 . 0 0 "[ . 1]" 1
1174 1 67 TYR QD 1 68 GLU HA 4.000 . 7.000 3.233 2.858 3.759 . 0 0 "[ . 1]" 1
1175 1 67 TYR QD 1 68 GLU QB 4.000 . 8.000 3.673 3.125 4.161 . 0 0 "[ . 1]" 1
1176 1 67 TYR QD 1 71 VAL MG1 4.000 . 8.000 5.126 4.873 5.263 . 0 0 "[ . 1]" 1
1177 1 67 TYR QD 1 71 VAL MG2 4.000 . 8.000 3.331 3.213 3.658 . 0 0 "[ . 1]" 1
1178 1 67 TYR QE 1 71 VAL MG1 4.000 . 8.000 3.948 3.620 4.145 . 0 0 "[ . 1]" 1
1179 1 67 TYR QE 1 71 VAL MG2 4.000 . 8.000 2.800 2.621 3.151 . 0 0 "[ . 1]" 1
1180 1 68 GLU H 1 68 GLU QB 3.000 . 4.500 2.354 2.166 2.557 . 0 0 "[ . 1]" 1
1181 1 68 GLU H 1 68 GLU QG 4.000 . 6.000 2.737 1.870 4.054 . 0 0 "[ . 1]" 1
1182 1 68 GLU H 1 69 SER H 3.000 . 3.500 2.812 2.721 2.860 . 0 0 "[ . 1]" 1
1183 1 68 GLU H 1 70 GLU H 4.000 . 5.000 4.132 4.063 4.216 . 0 0 "[ . 1]" 1
1184 1 68 GLU HA 1 69 SER H 4.000 . 5.000 3.551 3.518 3.570 . 0 0 "[ . 1]" 1
1185 1 68 GLU HA 1 71 VAL H 4.000 . 5.000 3.332 3.142 3.497 . 0 0 "[ . 1]" 1
1186 1 68 GLU HA 1 71 VAL HB 4.000 . 5.000 3.213 2.797 3.562 . 0 0 "[ . 1]" 1
1187 1 68 GLU HA 1 71 VAL MG2 4.000 . 6.000 3.432 2.707 4.094 . 0 0 "[ . 1]" 1
1188 1 68 GLU HA 1 72 HIS H 4.000 . 5.000 3.391 2.446 3.965 . 0 0 "[ . 1]" 1
1189 1 68 GLU HA 1 72 HIS QB 3.000 . 4.500 3.296 2.598 4.019 . 0 0 "[ . 1]" 1
1190 1 68 GLU QB 1 69 SER H 4.000 . 6.000 2.742 2.353 3.439 . 0 0 "[ . 1]" 1
1191 1 68 GLU QB 1 69 SER QB 4.000 . 7.000 4.217 3.905 4.787 . 0 0 "[ . 1]" 1
1192 1 68 GLU QB 1 72 HIS QB 4.000 . 7.000 2.971 2.085 4.047 . 0 0 "[ . 1]" 1
1193 1 68 GLU QG 1 69 SER H 4.000 . 6.000 3.313 1.835 4.289 . 0 0 "[ . 1]" 1
1194 1 68 GLU HG2 1 72 HIS QB 4.000 . 6.000 4.192 2.385 5.180 . 0 0 "[ . 1]" 1
1195 1 68 GLU HG3 1 72 HIS QB 4.000 . 6.000 3.975 2.534 5.125 . 0 0 "[ . 1]" 1
1196 1 69 SER H 1 69 SER HB2 4.000 . 5.000 2.742 2.346 3.549 . 0 0 "[ . 1]" 1
1197 1 69 SER H 1 69 SER HB3 4.000 . 5.000 2.573 2.188 3.595 . 0 0 "[ . 1]" 1
1198 1 69 SER H 1 70 GLU H 3.000 . 3.500 2.760 2.724 2.788 . 0 0 "[ . 1]" 1
1199 1 69 SER H 1 70 GLU HG2 4.000 . 5.000 4.354 4.266 4.517 . 0 0 "[ . 1]" 1
1200 1 69 SER H 1 70 GLU HG3 4.000 . 5.000 5.010 4.944 5.051 0.051 2 0 "[ . 1]" 1
1201 1 69 SER H 1 72 HIS QB 3.000 . 4.500 4.143 4.093 4.236 . 0 0 "[ . 1]" 1
1202 1 69 SER HA 1 72 HIS H 4.000 . 5.000 3.876 3.458 4.360 . 0 0 "[ . 1]" 1
1203 1 69 SER QB 1 70 GLU H 3.000 . 4.500 2.983 2.798 3.553 . 0 0 "[ . 1]" 1
1204 1 69 SER QB 1 70 GLU QB 4.000 . 7.000 4.736 4.513 5.240 . 0 0 "[ . 1]" 1
1205 1 69 SER HB2 1 70 GLU QG 4.000 . 6.000 4.346 2.981 4.668 . 0 0 "[ . 1]" 1
1206 1 69 SER HB3 1 70 GLU QG 4.000 . 6.000 3.347 2.801 4.382 . 0 0 "[ . 1]" 1
1207 1 70 GLU H 1 70 GLU HB2 4.000 . 5.000 2.568 2.524 2.629 . 0 0 "[ . 1]" 1
1208 1 70 GLU H 1 70 GLU HB3 4.000 . 5.000 3.624 3.614 3.633 . 0 0 "[ . 1]" 1
1209 1 70 GLU H 1 70 GLU HG2 4.000 . 5.000 2.292 2.201 2.420 . 0 0 "[ . 1]" 1
1210 1 70 GLU H 1 70 GLU HG3 4.000 . 5.000 2.984 2.903 3.057 . 0 0 "[ . 1]" 1
1211 1 70 GLU H 1 71 VAL H 3.000 . 3.500 2.481 2.359 2.617 . 0 0 "[ . 1]" 1
1212 1 70 GLU H 1 71 VAL HB 4.000 . 5.000 4.979 4.846 5.057 0.057 9 0 "[ . 1]" 1
1213 1 70 GLU H 1 71 VAL MG2 4.000 . 6.000 3.770 3.577 3.930 . 0 0 "[ . 1]" 1
1214 1 70 GLU H 1 72 HIS H 4.000 . 5.000 3.663 3.543 4.081 . 0 0 "[ . 1]" 1
1215 1 70 GLU HA 1 70 GLU HG2 4.000 . 5.000 2.600 2.533 2.660 . 0 0 "[ . 1]" 1
1216 1 70 GLU HA 1 70 GLU HG3 4.000 . 5.000 3.762 3.727 3.799 . 0 0 "[ . 1]" 1
1217 1 70 GLU HA 1 71 VAL H 4.000 . 5.000 3.539 3.499 3.577 . 0 0 "[ . 1]" 1
1218 1 70 GLU HA 1 71 VAL MG2 4.000 . 6.000 4.488 4.428 4.549 . 0 0 "[ . 1]" 1
1219 1 70 GLU HA 1 73 GLY H 4.000 . 5.000 4.316 4.023 4.903 . 0 0 "[ . 1]" 1
1220 1 70 GLU HB2 1 71 VAL H 4.000 . 5.000 2.544 2.235 2.838 . 0 0 "[ . 1]" 1
1221 1 70 GLU HB3 1 71 VAL H 4.000 . 5.000 3.709 3.428 3.972 . 0 0 "[ . 1]" 1
1222 1 70 GLU HB2 1 71 VAL HA 4.000 . 5.000 4.318 4.260 4.384 . 0 0 "[ . 1]" 1
1223 1 70 GLU HB3 1 71 VAL HA 4.000 . 5.000 4.602 4.457 4.764 . 0 0 "[ . 1]" 1
1224 1 70 GLU QB 1 71 VAL MG2 4.000 . 7.000 2.571 2.392 2.729 . 0 0 "[ . 1]" 1
1225 1 70 GLU QG 1 71 VAL H 4.000 . 6.000 3.836 3.762 3.938 . 0 0 "[ . 1]" 1
1226 1 70 GLU HG2 1 71 VAL MG2 4.000 . 6.000 4.878 4.846 4.898 . 0 0 "[ . 1]" 1
1227 1 70 GLU HG3 1 71 VAL MG2 4.000 . 6.000 4.379 4.254 4.513 . 0 0 "[ . 1]" 1
1228 1 71 VAL H 1 71 VAL HA 3.000 . 3.500 2.920 2.905 2.942 . 0 0 "[ . 1]" 1
1229 1 71 VAL H 1 71 VAL HB 3.000 . 3.500 2.695 2.631 2.775 . 0 0 "[ . 1]" 1
1230 1 71 VAL H 1 71 VAL MG1 4.000 . 6.000 3.782 3.761 3.817 . 0 0 "[ . 1]" 1
1231 1 71 VAL H 1 71 VAL MG2 4.000 . 6.000 2.108 1.965 2.294 . 0 0 "[ . 1]" 1
1232 1 71 VAL H 1 72 HIS H 4.000 . 5.000 2.370 2.176 2.714 . 0 0 "[ . 1]" 1
1233 1 71 VAL H 1 72 HIS QB 4.000 . 6.000 4.088 3.876 4.282 . 0 0 "[ . 1]" 1
1234 1 71 VAL H 1 73 GLY H 4.000 . 5.000 3.973 3.260 4.661 . 0 0 "[ . 1]" 1
1235 1 71 VAL HA 1 72 HIS H 4.000 . 5.000 3.417 3.170 3.538 . 0 0 "[ . 1]" 1
1236 1 71 VAL HB 1 72 HIS H 4.000 . 5.000 3.074 2.206 3.831 . 0 0 "[ . 1]" 1
1237 1 71 VAL HB 1 72 HIS QB 4.000 . 6.000 4.205 3.505 4.939 . 0 0 "[ . 1]" 1
1238 1 71 VAL MG1 1 72 HIS H 4.000 . 6.000 4.007 3.476 4.291 . 0 0 "[ . 1]" 1
1239 1 71 VAL MG2 1 72 HIS H 4.000 . 6.000 3.739 3.381 4.079 . 0 0 "[ . 1]" 1
1240 1 71 VAL MG1 1 73 GLY H 4.000 . 6.000 4.607 4.347 4.835 . 0 0 "[ . 1]" 1
1241 1 71 VAL MG1 1 74 ARG QD 4.000 . 7.000 3.625 2.347 4.991 . 0 0 "[ . 1]" 1
1242 1 72 HIS H 1 73 GLY H 3.000 . 3.500 2.535 2.422 2.719 . 0 0 "[ . 1]" 1
1243 1 72 HIS H 1 74 ARG H 4.000 . 5.000 4.377 4.002 4.821 . 0 0 "[ . 1]" 1
1244 1 72 HIS HA 1 73 GLY H 4.000 . 5.000 3.344 3.248 3.431 . 0 0 "[ . 1]" 1
1245 1 72 HIS QB 1 73 GLY H 4.000 . 6.000 3.275 3.107 3.470 . 0 0 "[ . 1]" 1
1246 1 72 HIS QB 1 74 ARG H 4.000 . 6.000 4.830 4.314 5.338 . 0 0 "[ . 1]" 1
1247 1 73 GLY H 1 74 ARG H 3.000 . 3.500 2.495 2.251 2.874 . 0 0 "[ . 1]" 1
1248 1 73 GLY H 1 74 ARG QG 4.000 . 6.000 4.001 3.269 5.324 . 0 0 "[ . 1]" 1
1249 1 73 GLY QA 1 74 ARG H 3.000 . 4.100 2.825 2.619 2.928 . 0 0 "[ . 1]" 1
1250 1 73 GLY QA 1 74 ARG QG 4.000 . 6.600 4.122 3.340 5.363 . 0 0 "[ . 1]" 1
1251 1 74 ARG H 1 74 ARG HB2 3.000 . 3.500 2.912 2.214 3.642 0.142 5 0 "[ . 1]" 1
1252 1 74 ARG H 1 74 ARG HB3 3.000 . 3.500 3.340 2.534 3.718 0.218 1 0 "[ . 1]" 1
1253 1 74 ARG H 1 74 ARG QG 4.000 . 6.000 2.430 1.780 3.733 0.020 6 0 "[ . 1]" 1
1254 1 74 ARG H 1 74 ARG QD 4.000 . 6.000 3.967 3.210 4.919 . 0 0 "[ . 1]" 1
1255 1 74 ARG H 1 75 LEU H 4.000 . 5.000 4.462 3.881 4.641 . 0 0 "[ . 1]" 1
1256 1 74 ARG H 1 75 LEU MD2 4.000 . 6.000 4.319 3.104 4.870 . 0 0 "[ . 1]" 1
1257 1 74 ARG HA 1 74 ARG QD 4.000 . 6.000 3.886 2.255 4.438 . 0 0 "[ . 1]" 1
1258 1 74 ARG HA 1 75 LEU H 2.500 . 2.900 2.593 2.204 3.125 0.225 7 0 "[ . 1]" 1
1259 1 74 ARG HA 1 75 LEU MD2 4.000 . 6.000 3.151 2.542 4.246 . 0 0 "[ . 1]" 1
1260 1 74 ARG HA 1 76 GLU H 4.000 . 5.000 4.073 3.444 4.740 . 0 0 "[ . 1]" 1
1261 1 74 ARG HB2 1 74 ARG HE 4.000 . 5.000 3.843 1.912 4.793 . 0 0 "[ . 1]" 1
1262 1 74 ARG HB3 1 74 ARG HE 4.000 . 5.000 3.582 2.331 4.916 . 0 0 "[ . 1]" 1
1263 1 74 ARG HB2 1 75 LEU H 4.000 . 5.000 2.946 1.859 4.245 . 0 0 "[ . 1]" 1
1264 1 74 ARG HB3 1 75 LEU H 4.000 . 5.000 2.784 1.940 4.113 . 0 0 "[ . 1]" 1
1265 1 74 ARG QB 1 75 LEU HA 4.000 . 6.000 4.178 3.605 4.618 . 0 0 "[ . 1]" 1
1266 1 74 ARG QB 1 75 LEU QB 4.000 . 7.000 4.298 3.697 5.019 . 0 0 "[ . 1]" 1
1267 1 74 ARG QB 1 76 GLU H 4.000 . 6.000 2.860 2.363 3.312 . 0 0 "[ . 1]" 1
1268 1 74 ARG QB 1 76 GLU HA 4.000 . 6.000 4.768 3.773 5.487 . 0 0 "[ . 1]" 1
1269 1 74 ARG QB 1 76 GLU QG 4.000 . 7.000 2.690 2.161 4.438 . 0 0 "[ . 1]" 1
1270 1 74 ARG QG 1 75 LEU H 4.000 . 6.000 3.556 1.703 4.040 0.097 1 0 "[ . 1]" 1
1271 1 74 ARG QG 1 76 GLU H 4.000 . 6.000 4.254 2.331 5.399 . 0 0 "[ . 1]" 1
1272 1 74 ARG QG 1 76 GLU HG2 4.000 . 6.000 4.505 3.354 5.338 . 0 0 "[ . 1]" 1
1273 1 74 ARG QG 1 76 GLU HG3 4.000 . 6.000 4.319 3.377 4.992 . 0 0 "[ . 1]" 1
1274 1 74 ARG QD 1 75 LEU H 4.000 . 6.000 4.197 2.886 5.413 . 0 0 "[ . 1]" 1
1275 1 75 LEU H 1 75 LEU HA 3.000 . 3.500 2.807 2.294 2.954 . 0 0 "[ . 1]" 1
1276 1 75 LEU H 1 75 LEU QB 3.000 . 4.500 2.615 2.200 3.265 . 0 0 "[ . 1]" 1
1277 1 75 LEU H 1 75 LEU HG 4.000 . 5.000 3.824 1.970 4.552 . 0 0 "[ . 1]" 1
1278 1 75 LEU H 1 75 LEU MD1 4.000 . 6.000 3.809 3.279 4.130 . 0 0 "[ . 1]" 1
1279 1 75 LEU H 1 75 LEU MD2 4.000 . 6.000 2.276 1.999 2.660 . 0 0 "[ . 1]" 1
1280 1 75 LEU H 1 76 GLU H 3.000 . 3.500 2.847 2.302 3.552 0.052 2 0 "[ . 1]" 1
1281 1 75 LEU H 1 76 GLU QG 4.000 . 6.000 3.444 2.549 4.551 . 0 0 "[ . 1]" 1
1282 1 75 LEU HA 1 75 LEU HG 4.000 . 5.000 3.598 3.577 3.624 . 0 0 "[ . 1]" 1
1283 1 75 LEU HA 1 75 LEU MD1 4.000 . 6.000 2.418 1.954 4.121 . 0 0 "[ . 1]" 1
1284 1 75 LEU HA 1 75 LEU MD2 4.000 . 6.000 2.591 2.312 3.495 . 0 0 "[ . 1]" 1
1285 1 75 LEU HA 1 76 GLU H 2.500 . 2.900 2.817 2.478 2.978 0.078 6 0 "[ . 1]" 1
1286 1 75 LEU HA 1 76 GLU QG 4.000 . 6.000 4.243 3.023 4.703 . 0 0 "[ . 1]" 1
1287 1 75 LEU QB 1 76 GLU H 4.000 . 6.000 3.868 3.766 4.006 . 0 0 "[ . 1]" 1
1288 1 75 LEU QB 1 76 GLU QG 4.000 . 7.000 4.345 3.804 4.847 . 0 0 "[ . 1]" 1
1289 1 75 LEU QB 1 77 HIS H 4.000 . 6.000 4.023 3.291 5.392 . 0 0 "[ . 1]" 1
1290 1 75 LEU MD1 1 76 GLU H 4.000 . 6.000 4.437 3.987 4.873 . 0 0 "[ . 1]" 1
1291 1 75 LEU MD2 1 76 GLU H 4.000 . 6.000 4.153 4.111 4.210 . 0 0 "[ . 1]" 1
1292 1 75 LEU MD2 1 76 GLU QG 4.000 . 7.000 4.772 3.836 5.219 . 0 0 "[ . 1]" 1
1293 1 76 GLU H 1 76 GLU HA 3.000 . 3.500 2.837 2.294 2.940 . 0 0 "[ . 1]" 1
1294 1 76 GLU H 1 76 GLU QB 3.000 . 4.500 2.824 2.440 3.477 . 0 0 "[ . 1]" 1
1295 1 76 GLU H 1 76 GLU QG 4.000 . 6.000 2.154 1.726 2.613 0.074 4 0 "[ . 1]" 1
1296 1 76 GLU H 1 77 HIS H 3.000 . 3.500 3.066 2.716 3.443 . 0 0 "[ . 1]" 1
1297 1 76 GLU HA 1 77 HIS H 3.000 . 3.500 2.888 2.578 3.553 0.053 6 0 "[ . 1]" 1
1298 1 76 GLU QB 1 77 HIS H 4.000 . 6.000 3.730 2.406 4.022 . 0 0 "[ . 1]" 1
1299 1 76 GLU QG 1 77 HIS H 4.000 . 6.000 4.241 3.517 4.640 . 0 0 "[ . 1]" 1
1300 1 77 HIS H 1 78 HIS H 4.000 . 5.000 3.901 1.855 4.612 . 0 0 "[ . 1]" 1
1301 1 80 HIS H 1 81 HIS H 4.000 . 5.000 3.995 3.091 4.628 . 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 42
_Distance_constraint_stats_list.Viol_count 47
_Distance_constraint_stats_list.Viol_total 10.692
_Distance_constraint_stats_list.Viol_max 0.054
_Distance_constraint_stats_list.Viol_rms 0.0088
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0227
_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 4 PHE 0.000 0.000 . 0 "[ . 1]"
1 5 TYR 0.007 0.007 6 0 "[ . 1]"
1 8 LEU 0.000 0.000 . 0 "[ . 1]"
1 9 LEU 0.007 0.007 6 0 "[ . 1]"
1 19 SER 0.052 0.037 9 0 "[ . 1]"
1 20 ILE 0.026 0.026 9 0 "[ . 1]"
1 21 SER 0.245 0.051 1 0 "[ . 1]"
1 22 GLU 0.153 0.054 5 0 "[ . 1]"
1 23 PHE 0.052 0.037 9 0 "[ . 1]"
1 24 ALA 0.026 0.026 9 0 "[ . 1]"
1 25 ASN 0.245 0.051 1 0 "[ . 1]"
1 26 GLN 0.153 0.054 5 0 "[ . 1]"
1 27 ALA 0.000 0.000 . 0 "[ . 1]"
1 40 TYR 0.000 0.000 . 0 "[ . 1]"
1 41 HIS 0.047 0.039 8 0 "[ . 1]"
1 42 GLU 0.127 0.053 6 0 "[ . 1]"
1 43 ILE 0.018 0.018 5 0 "[ . 1]"
1 44 SER 0.000 0.000 . 0 "[ . 1]"
1 45 SER 0.047 0.039 8 0 "[ . 1]"
1 46 TYR 0.127 0.053 6 0 "[ . 1]"
1 47 LEU 0.018 0.018 5 0 "[ . 1]"
1 48 GLU 0.000 0.000 . 0 "[ . 1]"
1 57 MET 0.000 0.000 . 0 "[ . 1]"
1 58 ALA 0.163 0.040 9 0 "[ . 1]"
1 59 THR 0.000 0.000 . 0 "[ . 1]"
1 60 PHE 0.000 0.000 . 0 "[ . 1]"
1 61 ASP 0.002 0.002 2 0 "[ . 1]"
1 62 GLU 0.232 0.040 9 0 "[ . 1]"
1 63 ALA 0.000 0.000 . 0 "[ . 1]"
1 64 TRP 0.000 0.000 . 0 "[ . 1]"
1 65 ASP 0.039 0.030 4 0 "[ . 1]"
1 66 GLN 0.192 0.043 9 0 "[ . 1]"
1 68 GLU 0.000 0.000 . 0 "[ . 1]"
1 69 SER 0.037 0.030 4 0 "[ . 1]"
1 70 GLU 0.123 0.043 9 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 4 PHE O 1 8 LEU N 2.800 2.400 3.300 2.912 2.757 3.120 . 0 0 "[ . 1]" 2
2 1 4 PHE O 1 8 LEU H 1.800 . 2.300 1.961 1.797 2.172 . 0 0 "[ . 1]" 2
3 1 5 TYR O 1 9 LEU N 2.800 2.400 3.300 2.796 2.621 3.076 . 0 0 "[ . 1]" 2
4 1 5 TYR O 1 9 LEU H 1.800 . 2.300 2.132 2.015 2.307 0.007 6 0 "[ . 1]" 2
5 1 19 SER O 1 23 PHE N 2.800 2.400 3.300 3.101 2.913 3.216 . 0 0 "[ . 1]" 2
6 1 19 SER O 1 23 PHE H 1.800 . 2.300 2.196 2.009 2.337 0.037 9 0 "[ . 1]" 2
7 1 20 ILE O 1 24 ALA N 2.800 2.400 3.300 3.079 2.784 3.249 . 0 0 "[ . 1]" 2
8 1 20 ILE O 1 24 ALA H 1.800 . 2.300 2.176 1.813 2.326 0.026 9 0 "[ . 1]" 2
9 1 21 SER O 1 25 ASN N 2.800 2.400 3.300 3.144 2.753 3.302 0.002 1 0 "[ . 1]" 2
10 1 21 SER O 1 25 ASN H 1.800 . 2.300 2.226 1.841 2.351 0.051 1 0 "[ . 1]" 2
11 1 22 GLU O 1 26 GLN N 2.800 2.400 3.300 3.197 2.886 3.303 0.003 4 0 "[ . 1]" 2
12 1 22 GLU O 1 26 GLN H 1.800 . 2.300 2.264 2.046 2.354 0.054 5 0 "[ . 1]" 2
13 1 23 PHE O 1 27 ALA N 2.800 2.400 3.300 2.868 2.694 3.129 . 0 0 "[ . 1]" 2
14 1 23 PHE O 1 27 ALA H 1.800 . 2.300 1.898 1.729 2.159 . 0 0 "[ . 1]" 2
15 1 40 TYR O 1 44 SER N 2.800 2.400 3.300 2.713 2.641 2.788 . 0 0 "[ . 1]" 2
16 1 40 TYR O 1 44 SER H 1.800 . 2.300 1.837 1.750 1.926 . 0 0 "[ . 1]" 2
17 1 41 HIS O 1 45 SER N 2.800 2.400 3.300 3.130 2.953 3.282 . 0 0 "[ . 1]" 2
18 1 41 HIS O 1 45 SER H 1.800 . 2.300 2.193 2.037 2.339 0.039 8 0 "[ . 1]" 2
19 1 42 GLU O 1 46 TYR N 2.800 2.400 3.300 3.193 3.097 3.272 . 0 0 "[ . 1]" 2
20 1 42 GLU O 1 46 TYR H 1.800 . 2.300 2.306 2.271 2.353 0.053 6 0 "[ . 1]" 2
21 1 43 ILE O 1 47 LEU N 2.800 2.400 3.300 2.959 2.739 3.170 . 0 0 "[ . 1]" 2
22 1 43 ILE O 1 47 LEU H 1.800 . 2.300 2.052 1.765 2.318 0.018 5 0 "[ . 1]" 2
23 1 44 SER O 1 48 GLU N 2.800 2.400 3.300 2.920 2.678 3.175 . 0 0 "[ . 1]" 2
24 1 44 SER O 1 48 GLU H 1.800 . 2.300 1.974 1.733 2.203 . 0 0 "[ . 1]" 2
25 1 57 MET O 1 61 ASP N 2.800 2.400 3.300 2.967 2.769 3.226 . 0 0 "[ . 1]" 2
26 1 57 MET O 1 61 ASP H 1.800 . 2.300 1.996 1.806 2.255 . 0 0 "[ . 1]" 2
27 1 58 ALA O 1 62 GLU N 2.800 2.400 3.300 3.235 3.164 3.276 . 0 0 "[ . 1]" 2
28 1 58 ALA O 1 62 GLU H 1.800 . 2.300 2.310 2.266 2.340 0.040 9 0 "[ . 1]" 2
29 1 59 THR O 1 63 ALA N 2.800 2.400 3.300 2.734 2.561 3.013 . 0 0 "[ . 1]" 2
30 1 59 THR O 1 63 ALA H 1.800 . 2.300 1.822 1.643 2.120 . 0 0 "[ . 1]" 2
31 1 60 PHE O 1 64 TRP N 2.800 2.400 3.300 2.773 2.635 2.892 . 0 0 "[ . 1]" 2
32 1 60 PHE O 1 64 TRP H 1.800 . 2.300 1.807 1.666 1.935 . 0 0 "[ . 1]" 2
33 1 61 ASP O 1 65 ASP N 2.800 2.400 3.300 3.118 2.984 3.258 . 0 0 "[ . 1]" 2
34 1 61 ASP O 1 65 ASP H 1.800 . 2.300 2.170 2.043 2.302 0.002 2 0 "[ . 1]" 2
35 1 62 GLU O 1 66 GLN N 2.800 2.400 3.300 3.169 3.111 3.210 . 0 0 "[ . 1]" 2
36 1 62 GLU O 1 66 GLN H 1.800 . 2.300 2.282 2.200 2.325 0.025 9 0 "[ . 1]" 2
37 1 64 TRP O 1 68 GLU N 2.800 2.400 3.300 2.857 2.764 2.937 . 0 0 "[ . 1]" 2
38 1 64 TRP O 1 68 GLU H 1.800 . 2.300 1.888 1.785 1.972 . 0 0 "[ . 1]" 2
39 1 65 ASP O 1 69 SER N 2.800 2.400 3.300 3.159 3.076 3.273 . 0 0 "[ . 1]" 2
40 1 65 ASP O 1 69 SER H 1.800 . 2.300 2.248 2.130 2.330 0.030 4 0 "[ . 1]" 2
41 1 66 GLN O 1 70 GLU N 2.800 2.400 3.300 3.056 3.004 3.113 . 0 0 "[ . 1]" 2
42 1 66 GLN O 1 70 GLU H 1.800 . 2.300 2.289 2.229 2.343 0.043 9 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 8:31:59 AM GMT (wattos1)