NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
605083 |
2n4q   |
25677 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n4q
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 827
_Distance_constraint_stats_list.Viol_count 706
_Distance_constraint_stats_list.Viol_total 441.170
_Distance_constraint_stats_list.Viol_max 0.318
_Distance_constraint_stats_list.Viol_rms 0.0229
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0625
_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 4 GLY 0.000 0.000 . 0 "[ . 1]"
1 5 ARG 0.014 0.014 2 0 "[ . 1]"
1 6 PRO 0.000 0.000 . 0 "[ . 1]"
1 7 SER 0.362 0.095 9 0 "[ . 1]"
1 8 LEU 3.796 0.171 10 0 "[ . 1]"
1 9 ILE 1.529 0.138 9 0 "[ . 1]"
1 10 ALA 0.952 0.171 10 0 "[ . 1]"
1 11 ARG 0.260 0.068 9 0 "[ . 1]"
1 12 ILE 1.158 0.136 4 0 "[ . 1]"
1 13 PRO 0.000 0.000 . 0 "[ . 1]"
1 14 VAL 1.658 0.137 5 0 "[ . 1]"
1 15 ALA 0.000 0.000 . 0 "[ . 1]"
1 16 ARG 0.381 0.138 9 0 "[ . 1]"
1 17 ILE 2.008 0.138 9 0 "[ . 1]"
1 18 LEU 1.667 0.132 10 0 "[ . 1]"
1 19 GLY 0.000 0.000 . 0 "[ . 1]"
1 21 PRO 0.000 0.000 . 0 "[ . 1]"
1 22 GLU 0.167 0.092 1 0 "[ . 1]"
1 23 GLU 0.364 0.092 1 0 "[ . 1]"
1 24 GLU 0.181 0.055 5 0 "[ . 1]"
2 3 LYS 0.437 0.086 4 0 "[ . 1]"
2 4 ALA 0.739 0.086 4 0 "[ . 1]"
2 5 TYR 0.652 0.128 7 0 "[ . 1]"
2 6 LEU 0.286 0.073 9 0 "[ . 1]"
2 7 ASP 0.571 0.079 6 0 "[ . 1]"
2 8 GLU 0.095 0.046 3 0 "[ . 1]"
2 9 LEU 2.867 0.142 10 0 "[ . 1]"
2 10 VAL 0.931 0.153 4 0 "[ . 1]"
2 11 GLU 0.222 0.092 9 0 "[ . 1]"
2 12 LEU 1.917 0.304 6 0 "[ . 1]"
2 13 HIS 1.771 0.233 10 0 "[ . 1]"
2 14 ARG 0.029 0.029 6 0 "[ . 1]"
2 15 ARG 0.009 0.009 1 0 "[ . 1]"
2 16 LEU 1.054 0.179 8 0 "[ . 1]"
2 17 MET 0.277 0.070 2 0 "[ . 1]"
2 18 THR 0.019 0.019 3 0 "[ . 1]"
2 19 LEU 1.620 0.177 5 0 "[ . 1]"
2 20 ARG 0.000 0.000 . 0 "[ . 1]"
2 21 GLU 0.360 0.112 10 0 "[ . 1]"
2 22 ARG 0.544 0.120 4 0 "[ . 1]"
2 23 HIS 0.000 0.000 . 0 "[ . 1]"
2 24 ILE 1.608 0.107 5 0 "[ . 1]"
2 25 LEU 1.571 0.120 4 0 "[ . 1]"
2 26 GLN 0.909 0.099 5 0 "[ . 1]"
2 27 GLN 0.000 0.000 . 0 "[ . 1]"
2 28 ILE 3.587 0.224 9 0 "[ . 1]"
2 29 VAL 3.404 0.224 9 0 "[ . 1]"
2 30 ASN 0.641 0.107 9 0 "[ . 1]"
2 31 LEU 1.831 0.302 3 0 "[ . 1]"
2 32 ILE 2.345 0.302 3 0 "[ . 1]"
2 33 GLU 0.235 0.090 7 0 "[ . 1]"
2 34 GLU 0.641 0.107 9 0 "[ . 1]"
2 35 THR 2.340 0.192 3 0 "[ . 1]"
2 36 GLY 0.000 0.000 . 0 "[ . 1]"
2 37 HIS 0.914 0.098 6 0 "[ . 1]"
2 38 PHE 1.645 0.226 4 0 "[ . 1]"
2 39 HIS 0.491 0.103 6 0 "[ . 1]"
2 40 ILE 2.868 0.168 8 0 "[ . 1]"
2 41 THR 0.334 0.056 7 0 "[ . 1]"
2 42 ASN 0.077 0.029 5 0 "[ . 1]"
2 43 THR 0.142 0.067 6 0 "[ . 1]"
2 44 THR 1.729 0.137 5 0 "[ . 1]"
2 45 PHE 2.342 0.138 8 0 "[ . 1]"
2 46 ASP 1.042 0.107 10 0 "[ . 1]"
2 47 PHE 1.104 0.176 9 0 "[ . 1]"
2 48 ASP 0.015 0.015 1 0 "[ . 1]"
2 49 LEU 3.414 0.233 10 0 "[ . 1]"
2 50 CYS 0.552 0.095 9 0 "[ . 1]"
2 51 SER 0.376 0.099 6 0 "[ . 1]"
2 52 LEU 2.569 0.318 3 0 "[ . 1]"
2 53 ASP 0.253 0.114 8 0 "[ . 1]"
2 54 LYS 0.522 0.128 7 0 "[ . 1]"
2 55 THR 0.492 0.168 4 0 "[ . 1]"
2 56 THR 2.020 0.318 3 0 "[ . 1]"
2 57 VAL 1.517 0.310 10 0 "[ . 1]"
2 58 ARG 0.799 0.310 10 0 "[ . 1]"
2 59 LYS 0.974 0.161 10 0 "[ . 1]"
2 60 LEU 1.079 0.215 5 0 "[ . 1]"
2 61 GLN 0.208 0.069 1 0 "[ . 1]"
2 62 SER 0.003 0.003 2 0 "[ . 1]"
2 63 TYR 1.521 0.215 5 0 "[ . 1]"
2 64 LEU 0.646 0.107 5 0 "[ . 1]"
2 65 GLU 0.717 0.088 6 0 "[ . 1]"
2 66 THR 0.487 0.262 9 0 "[ . 1]"
2 67 SER 0.100 0.056 3 0 "[ . 1]"
2 68 GLY 0.123 0.056 3 0 "[ . 1]"
2 69 THR 0.023 0.023 4 0 "[ . 1]"
2 70 SER 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 4 GLY QA 1 5 ARG H 3.300 . 3.300 2.247 2.121 2.652 . 0 0 "[ . 1]" 1
2 1 5 ARG H 1 5 ARG QG 3.300 . 3.300 2.427 1.918 3.314 0.014 2 0 "[ . 1]" 1
3 1 5 ARG HA 1 6 PRO QD . . 2.800 2.207 2.128 2.281 . 0 0 "[ . 1]" 1
4 1 5 ARG QG 1 6 PRO QD 4.200 . 4.200 3.619 2.260 4.054 . 0 0 "[ . 1]" 1
5 1 6 PRO HA 1 7 SER H 2.800 . 2.800 2.337 2.187 2.491 . 0 0 "[ . 1]" 1
6 1 6 PRO QB 1 7 SER H 4.200 . 4.200 2.823 2.438 3.257 . 0 0 "[ . 1]" 1
7 1 7 SER H 1 7 SER QB 3.300 . 3.300 2.808 2.253 3.288 . 0 0 "[ . 1]" 1
8 1 7 SER H 1 8 LEU H 5.500 . 5.500 4.288 3.827 4.553 . 0 0 "[ . 1]" 1
9 1 7 SER HA 1 8 LEU H 3.300 . 3.300 2.289 2.145 2.380 . 0 0 "[ . 1]" 1
10 1 7 SER HA 2 50 CYS QB . . 4.200 4.223 4.069 4.295 0.095 9 0 "[ . 1]" 1
11 1 7 SER QB 1 8 LEU H 4.200 . 4.200 3.225 2.601 4.032 . 0 0 "[ . 1]" 1
12 1 8 LEU H 1 8 LEU MD1 4.200 . 4.200 4.109 3.825 4.227 0.027 10 0 "[ . 1]" 1
13 1 8 LEU H 1 8 LEU QD 4.200 . 4.200 3.820 3.601 3.938 . 0 0 "[ . 1]" 1
14 1 8 LEU H 1 8 LEU HG 5.500 . 5.500 4.531 4.396 4.634 . 0 0 "[ . 1]" 1
15 1 8 LEU H 1 9 ILE H 4.200 . 4.200 3.970 3.690 4.288 0.088 9 0 "[ . 1]" 1
16 1 8 LEU H 1 9 ILE MD 5.500 . 5.500 3.955 2.590 5.226 . 0 0 "[ . 1]" 1
17 1 8 LEU H 2 49 LEU H 5.500 . 5.500 4.822 4.566 5.093 . 0 0 "[ . 1]" 1
18 1 8 LEU H 2 50 CYS QB 4.200 . 4.200 3.570 3.185 3.861 . 0 0 "[ . 1]" 1
19 1 8 LEU HA 1 8 LEU MD1 4.200 . 4.200 2.473 2.225 3.089 . 0 0 "[ . 1]" 1
20 1 8 LEU HA 1 8 LEU MD2 . . 4.200 3.698 3.554 3.761 . 0 0 "[ . 1]" 1
21 1 8 LEU HA 1 8 LEU HG 4.200 . 4.200 2.368 2.280 2.483 . 0 0 "[ . 1]" 1
22 1 8 LEU HA 1 9 ILE H 2.800 . 2.800 2.186 2.165 2.204 . 0 0 "[ . 1]" 1
23 1 8 LEU QB 1 9 ILE H 5.500 . 5.500 3.929 3.912 3.948 . 0 0 "[ . 1]" 1
24 1 8 LEU QB 2 13 HIS HD1 5.500 . 5.500 5.261 4.744 5.515 0.015 6 0 "[ . 1]" 1
25 1 8 LEU QB 2 49 LEU H 5.500 . 5.500 3.478 3.311 3.802 . 0 0 "[ . 1]" 1
26 1 8 LEU QB 2 49 LEU QB 4.200 . 4.200 2.368 2.245 2.722 . 0 0 "[ . 1]" 1
27 1 8 LEU QB 2 49 LEU MD2 4.200 . 4.200 3.977 3.812 4.068 . 0 0 "[ . 1]" 1
28 1 8 LEU QB 2 49 LEU HG 4.200 . 4.200 4.162 4.108 4.243 0.043 8 0 "[ . 1]" 1
29 1 8 LEU QB 2 50 CYS H 5.500 . 5.500 3.215 2.742 3.840 . 0 0 "[ . 1]" 1
30 1 8 LEU MD1 1 9 ILE H 5.500 . 5.500 4.102 3.837 4.568 . 0 0 "[ . 1]" 1
31 1 8 LEU MD1 1 10 ALA MB 5.500 . 5.500 5.573 5.283 5.671 0.171 10 0 "[ . 1]" 1
32 1 8 LEU MD1 2 9 LEU QB 4.200 . 4.200 4.253 4.224 4.294 0.094 9 0 "[ . 1]" 1
33 1 8 LEU MD1 2 10 VAL HA 3.300 . 3.300 2.722 2.221 3.000 . 0 0 "[ . 1]" 1
34 1 8 LEU MD1 2 10 VAL MG1 . . 2.800 2.641 1.993 2.852 0.052 6 0 "[ . 1]" 1
35 1 8 LEU MD1 2 13 HIS HD1 5.500 . 5.500 3.791 2.776 4.694 . 0 0 "[ . 1]" 1
36 1 8 LEU MD2 1 9 ILE H 5.500 . 5.500 4.603 4.037 4.881 . 0 0 "[ . 1]" 1
37 1 8 LEU MD2 2 9 LEU QB 4.200 . 4.200 2.602 2.319 3.157 . 0 0 "[ . 1]" 1
38 1 8 LEU MD2 2 10 VAL HA 4.200 . 4.200 2.393 2.280 2.677 . 0 0 "[ . 1]" 1
39 1 8 LEU MD2 2 10 VAL MG2 2.800 . 2.800 2.819 2.724 2.953 0.153 4 0 "[ . 1]" 1
40 1 8 LEU MD2 2 11 GLU H 5.500 . 5.500 5.275 5.107 5.592 0.092 9 0 "[ . 1]" 1
41 1 8 LEU MD2 2 13 HIS H 4.200 . 4.200 3.962 3.603 4.220 0.020 9 0 "[ . 1]" 1
42 1 8 LEU MD2 2 13 HIS QB 4.200 . 4.200 2.507 2.286 2.765 . 0 0 "[ . 1]" 1
43 1 8 LEU MD2 2 14 ARG H 5.500 . 5.500 4.870 4.506 5.278 . 0 0 "[ . 1]" 1
44 1 8 LEU MD2 2 49 LEU H 4.200 . 4.200 3.860 3.222 4.106 . 0 0 "[ . 1]" 1
45 1 8 LEU MD2 2 49 LEU QB 4.200 . 4.200 2.056 1.907 2.123 . 0 0 "[ . 1]" 1
46 1 8 LEU MD2 2 49 LEU MD1 . . 4.200 3.332 3.192 3.512 . 0 0 "[ . 1]" 1
47 1 8 LEU MD2 2 49 LEU MD2 3.300 . 3.300 3.148 2.253 3.452 0.152 7 0 "[ . 1]" 1
48 1 8 LEU MD2 2 49 LEU HG 4.200 . 4.200 2.198 2.067 2.257 . 0 0 "[ . 1]" 1
49 1 8 LEU MD2 2 50 CYS H 4.200 . 4.200 4.127 3.738 4.280 0.080 1 0 "[ . 1]" 1
50 1 8 LEU HG 2 13 HIS HD1 5.500 . 5.500 3.681 2.811 4.253 . 0 0 "[ . 1]" 1
51 1 8 LEU HG 2 49 LEU MD2 4.200 . 4.200 4.032 3.680 4.346 0.146 1 0 "[ . 1]" 1
52 1 9 ILE H 1 9 ILE HB 3.300 . 3.300 2.710 2.638 2.789 . 0 0 "[ . 1]" 1
53 1 9 ILE H 1 9 ILE MD 4.200 . 4.200 3.361 2.494 4.075 . 0 0 "[ . 1]" 1
54 1 9 ILE H 1 9 ILE QG 4.200 . 4.200 2.980 2.708 3.319 . 0 0 "[ . 1]" 1
55 1 9 ILE H 1 9 ILE MG 4.200 . 4.200 3.879 3.846 3.919 . 0 0 "[ . 1]" 1
56 1 9 ILE H 1 10 ALA H 5.500 . 5.500 4.403 4.390 4.436 . 0 0 "[ . 1]" 1
57 1 9 ILE HA 1 9 ILE MD 4.200 . 4.200 3.729 3.500 3.874 . 0 0 "[ . 1]" 1
58 1 9 ILE HA 1 9 ILE MG 3.300 . 3.300 2.291 2.264 2.319 . 0 0 "[ . 1]" 1
59 1 9 ILE HA 1 10 ALA H 3.300 . 3.300 2.198 2.185 2.212 . 0 0 "[ . 1]" 1
60 1 9 ILE HA 2 48 ASP HA 4.200 . 4.200 2.317 2.288 2.340 . 0 0 "[ . 1]" 1
61 1 9 ILE HA 2 49 LEU H 4.200 . 4.200 2.800 2.613 3.061 . 0 0 "[ . 1]" 1
62 1 9 ILE HB 1 9 ILE MD 3.300 . 3.300 2.225 2.128 2.315 . 0 0 "[ . 1]" 1
63 1 9 ILE HB 1 10 ALA H 5.500 . 5.500 3.991 3.925 4.022 . 0 0 "[ . 1]" 1
64 1 9 ILE MD 1 10 ALA H 5.500 . 5.500 4.975 4.877 5.056 . 0 0 "[ . 1]" 1
65 1 9 ILE MD 2 48 ASP HA 4.200 . 4.200 4.109 3.889 4.215 0.015 1 0 "[ . 1]" 1
66 1 9 ILE MD 2 48 ASP QB 4.200 . 4.200 3.464 3.194 3.696 . 0 0 "[ . 1]" 1
67 1 9 ILE MD 2 49 LEU H 5.500 . 5.500 5.113 4.562 5.434 . 0 0 "[ . 1]" 1
68 1 9 ILE QG 1 9 ILE MG 2.800 . 2.800 2.147 1.938 2.291 . 0 0 "[ . 1]" 1
69 1 9 ILE QG 1 10 ALA H 5.500 . 5.500 4.039 3.992 4.113 . 0 0 "[ . 1]" 1
70 1 9 ILE MG 1 10 ALA H 4.200 . 4.200 2.267 2.113 2.338 . 0 0 "[ . 1]" 1
71 1 9 ILE MG 1 11 ARG H 4.200 . 4.200 4.200 4.106 4.268 0.068 9 0 "[ . 1]" 1
72 1 9 ILE MG 2 46 ASP HA 4.200 . 4.200 4.263 4.226 4.307 0.107 10 0 "[ . 1]" 1
73 1 9 ILE MG 2 46 ASP QB 4.200 . 4.200 2.809 2.541 3.638 . 0 0 "[ . 1]" 1
74 1 9 ILE MG 2 47 PHE H 3.300 . 3.300 2.995 2.788 3.145 . 0 0 "[ . 1]" 1
75 1 9 ILE MG 2 49 LEU H 4.200 . 4.200 4.200 3.976 4.338 0.138 9 0 "[ . 1]" 1
76 1 10 ALA H 2 47 PHE H 4.200 . 4.200 3.279 2.927 3.421 . 0 0 "[ . 1]" 1
77 1 10 ALA H 2 48 ASP HA 4.200 . 4.200 3.488 3.364 3.658 . 0 0 "[ . 1]" 1
78 1 10 ALA H 2 49 LEU QD 5.500 . 5.500 2.841 2.671 2.978 . 0 0 "[ . 1]" 1
79 1 11 ARG H 1 12 ILE MD 5.500 . 5.500 5.305 5.069 5.519 0.019 7 0 "[ . 1]" 1
80 1 11 ARG HA 1 12 ILE H 3.300 . 3.300 2.165 2.134 2.214 . 0 0 "[ . 1]" 1
81 1 11 ARG HA 2 45 PHE H 5.500 . 5.500 5.187 4.916 5.397 . 0 0 "[ . 1]" 1
82 1 11 ARG HA 2 46 ASP HA 4.200 . 4.200 2.521 2.323 2.862 . 0 0 "[ . 1]" 1
83 1 11 ARG HA 2 47 PHE H 5.500 . 5.500 3.809 3.614 4.151 . 0 0 "[ . 1]" 1
84 1 11 ARG QB 2 44 THR MG 4.200 . 4.200 3.390 3.124 4.220 0.020 3 0 "[ . 1]" 1
85 1 11 ARG QD 2 44 THR MG 4.200 . 4.200 3.853 2.414 4.265 0.065 8 0 "[ . 1]" 1
86 1 12 ILE H 1 12 ILE HB 4.200 . 4.200 2.977 2.704 3.227 . 0 0 "[ . 1]" 1
87 1 12 ILE H 1 12 ILE MD 4.200 . 4.200 3.939 3.797 4.105 . 0 0 "[ . 1]" 1
88 1 12 ILE H 1 12 ILE QG 4.200 . 4.200 2.382 2.116 2.624 . 0 0 "[ . 1]" 1
89 1 12 ILE H 1 12 ILE MG 4.200 . 4.200 3.903 3.840 3.951 . 0 0 "[ . 1]" 1
90 1 12 ILE H 2 45 PHE QB 5.500 . 5.500 4.146 3.983 4.351 . 0 0 "[ . 1]" 1
91 1 12 ILE H 2 46 ASP HA 5.500 . 5.500 2.919 2.732 3.105 . 0 0 "[ . 1]" 1
92 1 12 ILE HA 1 12 ILE MD 4.200 . 4.200 3.864 3.798 3.937 . 0 0 "[ . 1]" 1
93 1 12 ILE HA 1 16 ARG QD 4.200 . 4.200 4.066 3.689 4.336 0.136 4 0 "[ . 1]" 1
94 1 12 ILE HB 1 17 ILE MD 4.200 . 4.200 2.305 2.183 2.503 . 0 0 "[ . 1]" 1
95 1 12 ILE HB 2 45 PHE H 5.500 . 5.500 5.130 4.799 5.415 . 0 0 "[ . 1]" 1
96 1 12 ILE HB 2 45 PHE QB 4.200 . 4.200 3.827 3.512 4.090 . 0 0 "[ . 1]" 1
97 1 12 ILE MD 1 17 ILE MD 2.800 . 2.800 2.713 2.411 2.856 0.056 6 0 "[ . 1]" 1
98 1 12 ILE MD 2 29 VAL MG1 4.200 . 4.200 4.259 4.182 4.330 0.130 3 0 "[ . 1]" 1
99 1 12 ILE QG 1 12 ILE MG 3.300 . 3.300 2.290 2.275 2.309 . 0 0 "[ . 1]" 1
100 1 12 ILE MG 1 16 ARG QB 4.200 . 4.200 2.837 2.432 3.366 . 0 0 "[ . 1]" 1
101 1 12 ILE MG 1 16 ARG HD2 5.500 . 5.500 3.160 2.365 4.132 . 0 0 "[ . 1]" 1
102 1 12 ILE MG 1 17 ILE H 4.200 . 4.200 3.863 3.327 4.305 0.105 9 0 "[ . 1]" 1
103 1 12 ILE MG 1 17 ILE QG 4.200 . 4.200 2.738 2.338 2.999 . 0 0 "[ . 1]" 1
104 1 12 ILE MG 2 29 VAL MG1 5.500 . 5.500 4.999 4.771 5.348 . 0 0 "[ . 1]" 1
105 1 12 ILE MG 2 45 PHE QD 5.500 . 5.500 3.858 3.545 4.068 . 0 0 "[ . 1]" 1
106 1 13 PRO HA 1 13 PRO QD 4.200 . 4.200 3.326 3.289 3.430 . 0 0 "[ . 1]" 1
107 1 13 PRO HA 2 44 THR MG 4.200 . 4.200 2.217 2.079 2.490 . 0 0 "[ . 1]" 1
108 1 13 PRO HG3 2 44 THR MG 5.500 . 5.500 3.089 2.497 5.189 . 0 0 "[ . 1]" 1
109 1 14 VAL H 1 14 VAL HB 4.200 . 4.200 3.591 3.551 3.610 . 0 0 "[ . 1]" 1
110 1 14 VAL H 1 14 VAL QG 2.800 . 2.800 1.817 1.747 1.893 0.053 10 0 "[ . 1]" 1
111 1 14 VAL H 1 17 ILE MD 5.500 . 5.500 4.261 4.103 4.510 . 0 0 "[ . 1]" 1
112 1 14 VAL H 2 44 THR HA 4.200 . 4.200 2.920 2.639 3.141 . 0 0 "[ . 1]" 1
113 1 14 VAL H 2 44 THR MG 3.300 . 3.300 3.394 3.332 3.437 0.137 5 0 "[ . 1]" 1
114 1 14 VAL H 2 45 PHE H 5.500 . 5.500 3.151 2.932 3.265 . 0 0 "[ . 1]" 1
115 1 14 VAL H 2 45 PHE HA 5.500 . 5.500 5.306 5.009 5.502 0.002 4 0 "[ . 1]" 1
116 1 14 VAL H 2 45 PHE QB 5.500 . 5.500 3.168 2.932 3.563 . 0 0 "[ . 1]" 1
117 1 14 VAL HA 1 14 VAL QG . . 2.800 2.275 2.152 2.348 . 0 0 "[ . 1]" 1
118 1 14 VAL HA 1 15 ALA H 4.200 . 4.200 3.516 3.485 3.541 . 0 0 "[ . 1]" 1
119 1 14 VAL HA 1 17 ILE H 4.200 . 4.200 3.089 3.026 3.150 . 0 0 "[ . 1]" 1
120 1 14 VAL HA 1 17 ILE HB 4.200 . 4.200 3.100 2.933 3.342 . 0 0 "[ . 1]" 1
121 1 14 VAL HA 1 17 ILE MD . . 3.300 2.673 2.409 2.971 . 0 0 "[ . 1]" 1
122 1 14 VAL HA 1 17 ILE QG . . 4.200 4.245 4.206 4.317 0.117 6 0 "[ . 1]" 1
123 1 14 VAL HB 1 15 ALA H 4.200 . 4.200 3.770 3.380 4.018 . 0 0 "[ . 1]" 1
124 1 14 VAL HB 1 18 LEU HG 4.200 . 4.200 2.973 2.701 3.405 . 0 0 "[ . 1]" 1
125 1 14 VAL QG 1 15 ALA H 4.200 . 4.200 1.951 1.836 2.070 . 0 0 "[ . 1]" 1
126 1 14 VAL QG 1 15 ALA HA 4.200 . 4.200 3.253 2.965 3.776 . 0 0 "[ . 1]" 1
127 1 14 VAL QG 1 15 ALA MB 4.200 . 4.200 3.100 2.990 3.213 . 0 0 "[ . 1]" 1
128 1 14 VAL QG 1 16 ARG H 4.200 . 4.200 3.854 3.774 3.924 . 0 0 "[ . 1]" 1
129 1 14 VAL QG 2 43 THR HA 4.200 . 4.200 4.020 3.276 4.267 0.067 6 0 "[ . 1]" 1
130 1 14 VAL QG 2 44 THR H 5.500 . 5.500 3.769 3.081 3.979 . 0 0 "[ . 1]" 1
131 1 14 VAL QG 2 44 THR HA 4.200 . 4.200 2.708 2.294 2.867 . 0 0 "[ . 1]" 1
132 1 14 VAL QG 2 45 PHE H 4.200 . 4.200 3.124 2.837 3.402 . 0 0 "[ . 1]" 1
133 1 14 VAL QG 2 45 PHE HA 4.200 . 4.200 3.815 3.537 4.039 . 0 0 "[ . 1]" 1
134 1 14 VAL QG 2 45 PHE QB 4.200 . 4.200 2.068 1.902 2.180 . 0 0 "[ . 1]" 1
135 1 15 ALA H 1 15 ALA MB . . 2.800 2.136 2.029 2.205 . 0 0 "[ . 1]" 1
136 1 15 ALA H 1 16 ARG H 4.200 . 4.200 2.765 2.697 2.822 . 0 0 "[ . 1]" 1
137 1 15 ALA HA 1 16 ARG H 4.200 . 4.200 3.372 3.352 3.411 . 0 0 "[ . 1]" 1
138 1 15 ALA HA 1 18 LEU QB 4.200 . 4.200 3.940 3.836 4.061 . 0 0 "[ . 1]" 1
139 1 15 ALA MB 1 16 ARG H 4.200 . 4.200 3.118 3.019 3.204 . 0 0 "[ . 1]" 1
140 1 16 ARG H 1 16 ARG QB 3.300 . 3.300 2.320 2.261 2.359 . 0 0 "[ . 1]" 1
141 1 16 ARG H 1 16 ARG QG 4.200 . 4.200 3.744 2.760 3.997 . 0 0 "[ . 1]" 1
142 1 16 ARG HA 1 17 ILE H 4.200 . 4.200 3.569 3.563 3.573 . 0 0 "[ . 1]" 1
143 1 16 ARG HA 1 17 ILE MD 5.500 . 5.500 5.482 5.238 5.638 0.138 9 0 "[ . 1]" 1
144 1 16 ARG QB 1 17 ILE QG 4.200 . 4.200 2.694 2.511 2.879 . 0 0 "[ . 1]" 1
145 1 17 ILE H 1 17 ILE HB 4.200 . 4.200 2.566 2.520 2.647 . 0 0 "[ . 1]" 1
146 1 17 ILE H 1 17 ILE MD 4.200 . 4.200 2.575 2.301 2.758 . 0 0 "[ . 1]" 1
147 1 17 ILE H 1 17 ILE QG 4.200 . 4.200 2.207 2.132 2.278 . 0 0 "[ . 1]" 1
148 1 17 ILE H 1 17 ILE MG 4.200 . 4.200 3.757 3.745 3.766 . 0 0 "[ . 1]" 1
149 1 17 ILE H 1 18 LEU H 4.200 . 4.200 2.700 2.659 2.770 . 0 0 "[ . 1]" 1
150 1 17 ILE H 1 18 LEU MD2 4.200 . 4.200 3.750 3.608 3.884 . 0 0 "[ . 1]" 1
151 1 17 ILE H 2 26 GLN QG 5.500 . 5.500 5.508 5.265 5.554 0.054 6 0 "[ . 1]" 1
152 1 17 ILE HA 1 17 ILE MD 4.200 . 4.200 3.847 3.813 3.883 . 0 0 "[ . 1]" 1
153 1 17 ILE HA 1 17 ILE MG 2.800 . 2.800 2.302 2.262 2.370 . 0 0 "[ . 1]" 1
154 1 17 ILE HA 1 18 LEU H . . 4.200 3.575 3.570 3.577 . 0 0 "[ . 1]" 1
155 1 17 ILE HB 1 17 ILE MD 3.300 . 3.300 2.142 2.128 2.154 . 0 0 "[ . 1]" 1
156 1 17 ILE HB 1 18 LEU H 4.200 . 4.200 2.172 2.143 2.240 . 0 0 "[ . 1]" 1
157 1 17 ILE HB 2 29 VAL MG2 4.200 . 4.200 3.702 3.553 3.795 . 0 0 "[ . 1]" 1
158 1 17 ILE MD 2 29 VAL HB 5.500 . 5.500 4.394 4.154 4.765 . 0 0 "[ . 1]" 1
159 1 17 ILE MD 2 29 VAL MG1 3.300 . 3.300 2.751 2.368 3.209 . 0 0 "[ . 1]" 1
160 1 17 ILE MD 2 29 VAL MG2 3.300 . 3.300 2.180 2.054 2.386 . 0 0 "[ . 1]" 1
161 1 17 ILE MD 2 45 PHE H 5.500 . 5.500 5.218 4.977 5.509 0.009 9 0 "[ . 1]" 1
162 1 17 ILE MD 2 45 PHE QB 4.200 . 4.200 3.420 3.065 3.650 . 0 0 "[ . 1]" 1
163 1 17 ILE QG 1 17 ILE MG 3.300 . 3.300 1.984 1.869 2.104 . 0 0 "[ . 1]" 1
164 1 17 ILE QG 1 18 LEU H 5.500 . 5.500 3.970 3.925 4.003 . 0 0 "[ . 1]" 1
165 1 17 ILE QG 2 29 VAL MG2 . . 4.200 2.256 2.064 2.671 . 0 0 "[ . 1]" 1
166 1 17 ILE MG 1 18 LEU H 4.200 . 4.200 3.283 3.213 3.427 . 0 0 "[ . 1]" 1
167 1 17 ILE MG 2 26 GLN H 4.200 . 4.200 4.260 4.222 4.299 0.099 5 0 "[ . 1]" 1
168 1 17 ILE MG 2 26 GLN HA 4.200 . 4.200 2.282 2.234 2.349 . 0 0 "[ . 1]" 1
169 1 17 ILE MG 2 26 GLN HG2 4.200 . 4.200 2.353 2.139 2.627 . 0 0 "[ . 1]" 1
170 1 17 ILE MG 2 26 GLN QG 4.200 . 4.200 2.260 2.045 2.598 . 0 0 "[ . 1]" 1
171 1 17 ILE MG 2 26 GLN HG3 4.200 . 4.200 3.289 2.299 4.111 . 0 0 "[ . 1]" 1
172 1 17 ILE MG 2 29 VAL MG1 3.300 . 3.300 2.640 2.270 2.966 . 0 0 "[ . 1]" 1
173 1 17 ILE MG 2 29 VAL MG2 2.800 . 2.800 2.143 2.047 2.236 . 0 0 "[ . 1]" 1
174 1 17 ILE MG 2 45 PHE QE 5.500 . 5.500 4.998 4.755 5.304 . 0 0 "[ . 1]" 1
175 1 18 LEU H 1 18 LEU QB 3.300 . 3.300 2.231 2.206 2.255 . 0 0 "[ . 1]" 1
176 1 18 LEU H 1 18 LEU MD2 4.200 . 4.200 1.860 1.793 1.999 0.007 2 0 "[ . 1]" 1
177 1 18 LEU H 1 18 LEU HG 4.200 . 4.200 3.795 3.743 3.854 . 0 0 "[ . 1]" 1
178 1 18 LEU HA 1 18 LEU MD1 2.800 . 2.800 2.130 2.117 2.151 . 0 0 "[ . 1]" 1
179 1 18 LEU HA 1 18 LEU HG 4.200 . 4.200 3.624 3.608 3.639 . 0 0 "[ . 1]" 1
180 1 18 LEU HA 1 19 GLY H 4.200 . 4.200 3.472 3.221 3.567 . 0 0 "[ . 1]" 1
181 1 18 LEU QB 1 18 LEU MD2 . . 2.800 2.303 2.290 2.326 . 0 0 "[ . 1]" 1
182 1 18 LEU QB 1 18 LEU HG . . 2.800 2.198 2.197 2.200 . 0 0 "[ . 1]" 1
183 1 18 LEU QB 1 19 GLY H 4.200 . 4.200 2.819 2.374 3.448 . 0 0 "[ . 1]" 1
184 1 18 LEU MD2 1 19 GLY H 5.500 . 5.500 3.908 3.865 3.970 . 0 0 "[ . 1]" 1
185 1 18 LEU MD2 2 29 VAL MG1 4.200 . 4.200 3.520 3.304 3.727 . 0 0 "[ . 1]" 1
186 1 18 LEU MD2 2 29 VAL MG2 4.200 . 4.200 4.252 3.932 4.329 0.129 2 0 "[ . 1]" 1
187 1 18 LEU MD2 2 45 PHE QE 5.500 . 5.500 5.587 5.545 5.632 0.132 10 0 "[ . 1]" 1
188 1 21 PRO QB 1 22 GLU H . . 4.200 3.158 2.288 3.888 . 0 0 "[ . 1]" 1
189 1 21 PRO QD 1 22 GLU H 5.500 . 5.500 4.318 2.490 5.036 . 0 0 "[ . 1]" 1
190 1 22 GLU H 1 22 GLU QG 3.300 . 3.300 2.652 2.120 3.154 . 0 0 "[ . 1]" 1
191 1 22 GLU H 1 23 GLU HA 4.200 . 4.200 4.122 3.957 4.260 0.060 9 0 "[ . 1]" 1
192 1 22 GLU HA 1 22 GLU QB 2.800 . 2.800 2.256 2.182 2.379 . 0 0 "[ . 1]" 1
193 1 22 GLU HA 1 22 GLU QG 3.300 . 3.300 2.894 2.281 3.293 . 0 0 "[ . 1]" 1
194 1 22 GLU HA 1 23 GLU H 2.800 . 2.800 2.727 2.512 2.892 0.092 1 0 "[ . 1]" 1
195 1 23 GLU H 1 23 GLU QB 3.300 . 3.300 2.592 2.071 3.316 0.016 2 0 "[ . 1]" 1
196 1 23 GLU H 1 24 GLU QG 5.500 . 5.500 4.870 3.954 5.444 . 0 0 "[ . 1]" 1
197 1 23 GLU HA 1 24 GLU H 3.300 . 3.300 2.925 2.156 3.355 0.055 5 0 "[ . 1]" 1
198 1 23 GLU QB 1 24 GLU H 3.300 . 3.300 2.619 1.773 3.337 0.037 7 0 "[ . 1]" 1
199 1 24 GLU H 1 24 GLU QG 4.200 . 4.200 2.632 1.960 3.530 . 0 0 "[ . 1]" 1
200 2 3 LYS H 2 4 ALA H 4.200 . 4.200 2.615 1.774 4.257 0.057 5 0 "[ . 1]" 1
201 2 3 LYS HA 2 3 LYS QB . . 2.800 2.352 2.189 2.531 . 0 0 "[ . 1]" 1
202 2 3 LYS HA 2 3 LYS QG 3.300 . 3.300 2.420 2.146 2.800 . 0 0 "[ . 1]" 1
203 2 3 LYS HA 2 4 ALA H 4.200 . 4.200 3.370 2.265 3.573 . 0 0 "[ . 1]" 1
204 2 3 LYS HA 2 6 LEU H 4.200 . 4.200 3.421 3.123 4.243 0.043 5 0 "[ . 1]" 1
205 2 3 LYS HA 2 6 LEU QB 4.200 . 4.200 2.828 2.427 4.155 . 0 0 "[ . 1]" 1
206 2 3 LYS HA 2 6 LEU QD 4.200 . 4.200 3.107 2.596 4.197 . 0 0 "[ . 1]" 1
207 2 3 LYS HA 2 7 ASP H 4.200 . 4.200 3.921 3.333 4.258 0.058 5 0 "[ . 1]" 1
208 2 3 LYS QB 2 4 ALA H 3.300 . 3.300 2.817 2.236 3.375 0.075 8 0 "[ . 1]" 1
209 2 3 LYS QB 2 7 ASP H 4.200 . 4.200 3.975 3.738 4.225 0.025 3 0 "[ . 1]" 1
210 2 3 LYS QE 2 3 LYS QG 2.800 . 2.800 2.256 2.101 2.434 . 0 0 "[ . 1]" 1
211 2 3 LYS QG 2 4 ALA H 4.200 . 4.200 3.713 1.904 4.286 0.086 4 0 "[ . 1]" 1
212 2 4 ALA H 2 4 ALA MB 2.800 . 2.800 2.154 2.066 2.252 . 0 0 "[ . 1]" 1
213 2 4 ALA H 2 5 TYR H 3.300 . 3.300 3.021 2.820 3.176 . 0 0 "[ . 1]" 1
214 2 4 ALA H 2 7 ASP QB 4.200 . 4.200 4.225 4.121 4.279 0.079 6 0 "[ . 1]" 1
215 2 4 ALA HA 2 5 TYR H 4.200 . 4.200 3.554 3.493 3.577 . 0 0 "[ . 1]" 1
216 2 4 ALA HA 2 7 ASP QB 4.200 . 4.200 2.499 2.309 2.888 . 0 0 "[ . 1]" 1
217 2 4 ALA MB 2 5 TYR H 3.300 . 3.300 2.415 2.079 2.836 . 0 0 "[ . 1]" 1
218 2 4 ALA MB 2 7 ASP QB . . 4.200 3.882 3.728 4.256 0.056 5 0 "[ . 1]" 1
219 2 5 TYR H 2 5 TYR QB 3.300 . 3.300 2.193 2.103 2.289 . 0 0 "[ . 1]" 1
220 2 5 TYR H 2 5 TYR QD 5.500 . 5.500 4.087 3.931 4.194 . 0 0 "[ . 1]" 1
221 2 5 TYR H 2 6 LEU H . . 3.300 2.842 2.391 3.054 . 0 0 "[ . 1]" 1
222 2 5 TYR HA 2 5 TYR QD . . 3.300 2.680 2.317 3.035 . 0 0 "[ . 1]" 1
223 2 5 TYR HA 2 5 TYR QE 5.500 . 5.500 4.462 4.315 4.573 . 0 0 "[ . 1]" 1
224 2 5 TYR HA 2 6 LEU H . . 4.200 3.566 3.548 3.576 . 0 0 "[ . 1]" 1
225 2 5 TYR HA 2 8 GLU H 4.200 . 4.200 3.753 3.609 3.922 . 0 0 "[ . 1]" 1
226 2 5 TYR HA 2 8 GLU QB 4.200 . 4.200 3.062 2.739 3.362 . 0 0 "[ . 1]" 1
227 2 5 TYR HA 2 8 GLU QG . . 4.200 3.632 2.899 4.233 0.033 6 0 "[ . 1]" 1
228 2 5 TYR QB 2 6 LEU H 4.200 . 4.200 2.362 2.115 2.599 . 0 0 "[ . 1]" 1
229 2 5 TYR QD 2 6 LEU H 5.500 . 5.500 3.623 3.347 3.816 . 0 0 "[ . 1]" 1
230 2 5 TYR QD 2 9 LEU MD1 4.200 . 4.200 2.835 2.302 3.712 . 0 0 "[ . 1]" 1
231 2 5 TYR QD 2 9 LEU HG 5.500 . 5.500 3.740 3.179 4.205 . 0 0 "[ . 1]" 1
232 2 5 TYR QE 2 9 LEU MD1 4.200 . 4.200 2.551 2.168 2.803 . 0 0 "[ . 1]" 1
233 2 5 TYR QE 2 9 LEU MD2 4.200 . 4.200 3.948 3.839 4.103 . 0 0 "[ . 1]" 1
234 2 5 TYR QE 2 9 LEU HG 3.300 . 3.300 3.334 3.246 3.423 0.123 7 0 "[ . 1]" 1
235 2 5 TYR QE 2 54 LYS QB 5.500 . 5.500 3.685 2.443 4.677 . 0 0 "[ . 1]" 1
236 2 5 TYR QE 2 54 LYS QD 5.500 . 5.500 4.858 3.405 5.628 0.128 7 0 "[ . 1]" 1
237 2 5 TYR QE 2 54 LYS QE 5.500 . 5.500 4.895 3.962 5.498 . 0 0 "[ . 1]" 1
238 2 5 TYR QE 2 57 VAL MG1 4.200 . 4.200 3.348 2.688 3.993 . 0 0 "[ . 1]" 1
239 2 5 TYR QE 2 57 VAL MG2 4.200 . 4.200 2.607 2.288 3.094 . 0 0 "[ . 1]" 1
240 2 6 LEU H 2 6 LEU QD 4.200 . 4.200 2.687 1.946 3.485 . 0 0 "[ . 1]" 1
241 2 6 LEU H 2 6 LEU HG 4.200 . 4.200 3.221 2.102 4.211 0.011 4 0 "[ . 1]" 1
242 2 6 LEU H 2 7 ASP H 3.300 . 3.300 2.652 2.550 2.801 . 0 0 "[ . 1]" 1
243 2 6 LEU HA 2 6 LEU QD 4.200 . 4.200 2.288 2.183 2.472 . 0 0 "[ . 1]" 1
244 2 6 LEU HA 2 7 ASP H 5.500 . 5.500 3.539 3.515 3.558 . 0 0 "[ . 1]" 1
245 2 6 LEU HA 2 9 LEU MD2 5.500 . 5.500 5.078 4.931 5.272 . 0 0 "[ . 1]" 1
246 2 6 LEU QB 2 7 ASP H 4.200 . 4.200 2.630 2.446 2.773 . 0 0 "[ . 1]" 1
247 2 6 LEU QB 2 10 VAL MG1 5.500 . 5.500 5.496 5.332 5.573 0.073 9 0 "[ . 1]" 1
248 2 6 LEU QD 2 7 ASP H 5.500 . 5.500 3.960 3.775 4.183 . 0 0 "[ . 1]" 1
249 2 6 LEU QD 2 10 VAL H 5.500 . 5.500 4.917 3.917 5.334 . 0 0 "[ . 1]" 1
250 2 7 ASP H 2 7 ASP QB 3.300 . 3.300 2.130 2.074 2.227 . 0 0 "[ . 1]" 1
251 2 7 ASP H 2 8 GLU H 3.300 . 3.300 2.781 2.730 2.874 . 0 0 "[ . 1]" 1
252 2 7 ASP H 2 10 VAL HB 5.500 . 5.500 5.437 5.310 5.555 0.055 9 0 "[ . 1]" 1
253 2 7 ASP HA 2 10 VAL H 4.200 . 4.200 3.676 3.525 3.794 . 0 0 "[ . 1]" 1
254 2 7 ASP HA 2 10 VAL HB 4.200 . 4.200 3.005 2.891 3.095 . 0 0 "[ . 1]" 1
255 2 7 ASP HA 2 10 VAL MG2 4.200 . 4.200 2.887 2.702 3.202 . 0 0 "[ . 1]" 1
256 2 7 ASP QB 2 8 GLU H . . 3.300 2.490 2.417 2.611 . 0 0 "[ . 1]" 1
257 2 7 ASP QB 2 8 GLU HA 4.200 . 4.200 3.830 3.728 3.995 . 0 0 "[ . 1]" 1
258 2 8 GLU H 2 8 GLU QG 4.200 . 4.200 2.467 2.180 3.022 . 0 0 "[ . 1]" 1
259 2 8 GLU H 2 9 LEU H 3.300 . 3.300 2.772 2.658 2.848 . 0 0 "[ . 1]" 1
260 2 8 GLU HA 2 9 LEU H 4.200 . 4.200 3.564 3.547 3.578 . 0 0 "[ . 1]" 1
261 2 8 GLU HA 2 11 GLU H 4.200 . 4.200 3.530 3.366 3.741 . 0 0 "[ . 1]" 1
262 2 8 GLU HA 2 11 GLU QG . . 4.200 3.694 3.109 4.246 0.046 3 0 "[ . 1]" 1
263 2 8 GLU HA 2 12 LEU H 4.200 . 4.200 3.889 3.704 4.081 . 0 0 "[ . 1]" 1
264 2 8 GLU QB 2 9 LEU H 4.200 . 4.200 2.446 2.372 2.572 . 0 0 "[ . 1]" 1
265 2 8 GLU QG 2 9 LEU H 5.500 . 5.500 4.123 3.914 4.355 . 0 0 "[ . 1]" 1
266 2 9 LEU H 2 9 LEU QB 3.300 . 3.300 2.156 2.121 2.200 . 0 0 "[ . 1]" 1
267 2 9 LEU H 2 9 LEU MD1 4.200 . 4.200 3.604 3.538 3.695 . 0 0 "[ . 1]" 1
268 2 9 LEU H 2 9 LEU QD 3.300 . 3.300 3.343 3.291 3.405 0.105 5 0 "[ . 1]" 1
269 2 9 LEU H 2 9 LEU MD2 4.200 . 4.200 3.959 3.916 4.011 . 0 0 "[ . 1]" 1
270 2 9 LEU H 2 9 LEU HG 3.300 . 3.300 2.843 2.736 2.953 . 0 0 "[ . 1]" 1
271 2 9 LEU H 2 10 VAL H . . 3.300 2.836 2.732 2.942 . 0 0 "[ . 1]" 1
272 2 9 LEU HA 2 9 LEU MD2 . . 2.800 2.184 2.153 2.218 . 0 0 "[ . 1]" 1
273 2 9 LEU HA 2 9 LEU HG 4.200 . 4.200 2.480 2.403 2.563 . 0 0 "[ . 1]" 1
274 2 9 LEU HA 2 12 LEU QB . . 3.300 2.725 2.563 2.858 . 0 0 "[ . 1]" 1
275 2 9 LEU HA 2 49 LEU MD1 4.200 . 4.200 4.099 3.839 4.255 0.055 3 0 "[ . 1]" 1
276 2 9 LEU QB 2 10 VAL H 5.500 . 5.500 2.543 2.459 2.693 . 0 0 "[ . 1]" 1
277 2 9 LEU QD 2 12 LEU H 5.500 . 5.500 4.832 4.646 4.951 . 0 0 "[ . 1]" 1
278 2 9 LEU QD 2 57 VAL MG2 2.800 . 2.800 2.157 2.027 2.392 . 0 0 "[ . 1]" 1
279 2 9 LEU MD1 2 12 LEU QB 5.500 . 5.500 5.461 5.237 5.550 0.050 2 0 "[ . 1]" 1
280 2 9 LEU MD1 2 50 CYS HA 4.200 . 4.200 2.264 2.072 2.587 . 0 0 "[ . 1]" 1
281 2 9 LEU MD2 2 49 LEU HA 4.200 . 4.200 3.232 3.106 3.342 . 0 0 "[ . 1]" 1
282 2 9 LEU MD2 2 49 LEU QB . . 3.300 2.135 2.082 2.215 . 0 0 "[ . 1]" 1
283 2 9 LEU HG 2 57 VAL MG1 2.800 . 2.800 2.809 2.593 2.888 0.088 2 0 "[ . 1]" 1
284 2 9 LEU HG 2 57 VAL MG2 2.800 . 2.800 2.873 2.796 2.942 0.142 10 0 "[ . 1]" 1
285 2 10 VAL H 2 10 VAL HB 3.300 . 3.300 2.580 2.518 2.641 . 0 0 "[ . 1]" 1
286 2 10 VAL H 2 10 VAL MG1 4.200 . 4.200 3.742 3.733 3.747 . 0 0 "[ . 1]" 1
287 2 10 VAL H 2 11 GLU H 3.300 . 3.300 2.728 2.636 2.860 . 0 0 "[ . 1]" 1
288 2 10 VAL HA 2 10 VAL MG1 3.300 . 3.300 2.283 2.254 2.327 . 0 0 "[ . 1]" 1
289 2 10 VAL HA 2 10 VAL MG2 . . 2.800 2.364 2.300 2.411 . 0 0 "[ . 1]" 1
290 2 10 VAL HA 2 11 GLU H 5.500 . 5.500 3.556 3.547 3.564 . 0 0 "[ . 1]" 1
291 2 10 VAL HA 2 13 HIS H 4.200 . 4.200 3.744 3.610 3.909 . 0 0 "[ . 1]" 1
292 2 10 VAL HA 2 13 HIS QB 4.200 . 4.200 3.038 2.801 3.286 . 0 0 "[ . 1]" 1
293 2 10 VAL HA 2 14 ARG H 5.500 . 5.500 4.057 3.862 4.308 . 0 0 "[ . 1]" 1
294 2 10 VAL HB 2 11 GLU H 4.200 . 4.200 2.425 2.214 2.531 . 0 0 "[ . 1]" 1
295 2 10 VAL MG1 2 11 GLU HA 4.200 . 4.200 3.593 3.457 3.834 . 0 0 "[ . 1]" 1
296 2 10 VAL MG1 2 13 HIS QB 4.200 . 4.200 3.971 3.730 4.226 0.026 6 0 "[ . 1]" 1
297 2 11 GLU H 2 11 GLU QB 2.800 . 2.800 2.328 2.185 2.430 . 0 0 "[ . 1]" 1
298 2 11 GLU H 2 11 GLU QG 4.200 . 4.200 2.918 2.179 4.009 . 0 0 "[ . 1]" 1
299 2 11 GLU H 2 12 LEU H 3.300 . 3.300 2.737 2.648 2.815 . 0 0 "[ . 1]" 1
300 2 11 GLU H 2 13 HIS H 5.500 . 5.500 4.559 4.316 4.671 . 0 0 "[ . 1]" 1
301 2 11 GLU HA 2 14 ARG H 4.200 . 4.200 3.636 3.547 3.723 . 0 0 "[ . 1]" 1
302 2 11 GLU HA 2 15 ARG H 5.500 . 5.500 4.188 4.027 4.396 . 0 0 "[ . 1]" 1
303 2 11 GLU QB 2 12 LEU H 3.300 . 3.300 2.572 2.486 2.673 . 0 0 "[ . 1]" 1
304 2 11 GLU QG 2 12 LEU H 4.200 . 4.200 3.819 3.091 4.205 0.005 5 0 "[ . 1]" 1
305 2 12 LEU H 2 12 LEU HG 4.200 . 4.200 4.365 4.340 4.504 0.304 6 0 "[ . 1]" 1
306 2 12 LEU H 2 13 HIS H 3.300 . 3.300 2.868 2.796 2.961 . 0 0 "[ . 1]" 1
307 2 12 LEU HA 2 12 LEU HG 4.200 . 4.200 2.469 2.323 3.588 . 0 0 "[ . 1]" 1
308 2 12 LEU QB 2 12 LEU HG 2.800 . 2.800 2.494 2.177 2.533 . 0 0 "[ . 1]" 1
309 2 12 LEU QB 2 13 HIS H 4.200 . 4.200 2.196 2.113 2.402 . 0 0 "[ . 1]" 1
310 2 12 LEU QB 2 13 HIS HA 5.500 . 5.500 4.060 3.778 4.155 . 0 0 "[ . 1]" 1
311 2 12 LEU QD 2 16 LEU H 4.200 . 4.200 4.042 3.175 4.254 0.054 1 0 "[ . 1]" 1
312 2 12 LEU QD 2 61 GLN HA 3.300 . 3.300 2.542 2.280 2.814 . 0 0 "[ . 1]" 1
313 2 12 LEU QD 2 61 GLN QB 4.200 . 4.200 3.661 3.479 3.850 . 0 0 "[ . 1]" 1
314 2 12 LEU QD 2 61 GLN QG 4.200 . 4.200 2.221 1.977 2.459 . 0 0 "[ . 1]" 1
315 2 12 LEU HG 2 13 HIS HA 5.500 . 5.500 4.316 4.121 5.457 . 0 0 "[ . 1]" 1
316 2 13 HIS H 2 13 HIS QB 3.300 . 3.300 2.055 2.043 2.068 . 0 0 "[ . 1]" 1
317 2 13 HIS H 2 14 ARG H 4.200 . 4.200 2.794 2.653 2.898 . 0 0 "[ . 1]" 1
318 2 13 HIS H 2 49 LEU MD1 4.200 . 4.200 4.245 4.209 4.268 0.068 2 0 "[ . 1]" 1
319 2 13 HIS H 2 49 LEU QD 4.200 . 4.200 4.153 4.118 4.179 . 0 0 "[ . 1]" 1
320 2 13 HIS HA 2 16 LEU H 5.500 . 5.500 3.404 3.286 3.528 . 0 0 "[ . 1]" 1
321 2 13 HIS HA 2 49 LEU MD1 . . 4.200 4.314 4.216 4.433 0.233 10 0 "[ . 1]" 1
322 2 13 HIS HA 2 49 LEU MD2 5.500 . 5.500 5.271 5.084 5.587 0.087 6 0 "[ . 1]" 1
323 2 13 HIS QB 2 14 ARG H . . 3.300 2.666 2.555 2.789 . 0 0 "[ . 1]" 1
324 2 13 HIS QB 2 14 ARG QB 5.500 . 5.500 4.276 4.098 4.507 . 0 0 "[ . 1]" 1
325 2 13 HIS QB 2 14 ARG QG 4.200 . 4.200 3.750 3.316 4.229 0.029 6 0 "[ . 1]" 1
326 2 13 HIS QB 2 49 LEU MD1 . . 4.200 3.758 3.206 4.203 0.003 7 0 "[ . 1]" 1
327 2 13 HIS HD1 2 49 LEU MD1 4.200 . 4.200 2.632 2.415 2.822 . 0 0 "[ . 1]" 1
328 2 13 HIS HD1 2 49 LEU QD 5.500 . 5.500 2.501 2.353 2.691 . 0 0 "[ . 1]" 1
329 2 13 HIS HD1 2 49 LEU MD2 5.500 . 5.500 3.170 2.745 3.410 . 0 0 "[ . 1]" 1
330 2 14 ARG H 2 14 ARG QB 2.800 . 2.800 2.173 2.062 2.368 . 0 0 "[ . 1]" 1
331 2 14 ARG HA 2 17 MET H 5.500 . 5.500 3.659 3.388 3.816 . 0 0 "[ . 1]" 1
332 2 14 ARG QB 2 15 ARG H 4.200 . 4.200 2.501 2.410 2.669 . 0 0 "[ . 1]" 1
333 2 15 ARG H 2 15 ARG QG 2.800 . 2.800 2.425 2.122 2.809 0.009 1 0 "[ . 1]" 1
334 2 15 ARG H 2 16 LEU H 3.300 . 3.300 2.629 2.538 2.728 . 0 0 "[ . 1]" 1
335 2 15 ARG HA 2 15 ARG QB 2.800 . 2.800 2.424 2.367 2.493 . 0 0 "[ . 1]" 1
336 2 16 LEU H 2 16 LEU QB 2.800 . 2.800 2.177 2.047 2.251 . 0 0 "[ . 1]" 1
337 2 16 LEU H 2 16 LEU HG 4.200 . 4.200 4.103 3.605 4.379 0.179 8 0 "[ . 1]" 1
338 2 16 LEU H 2 17 MET H 4.200 . 4.200 2.680 2.441 2.870 . 0 0 "[ . 1]" 1
339 2 16 LEU HA 2 16 LEU QB . . 2.800 2.455 2.361 2.540 . 0 0 "[ . 1]" 1
340 2 16 LEU HA 2 16 LEU HG 4.200 . 4.200 2.352 2.295 2.449 . 0 0 "[ . 1]" 1
341 2 16 LEU HA 2 17 MET H 4.200 . 4.200 3.539 3.469 3.562 . 0 0 "[ . 1]" 1
342 2 16 LEU HA 2 18 THR H 4.200 . 4.200 3.579 3.388 3.955 . 0 0 "[ . 1]" 1
343 2 16 LEU HA 2 19 LEU H 4.200 . 4.200 3.071 2.753 3.438 . 0 0 "[ . 1]" 1
344 2 16 LEU HA 2 19 LEU QB 4.200 . 4.200 2.502 2.265 2.761 . 0 0 "[ . 1]" 1
345 2 16 LEU HA 2 19 LEU QD 4.200 . 4.200 3.182 2.578 3.728 . 0 0 "[ . 1]" 1
346 2 16 LEU QB 2 17 MET H 4.200 . 4.200 2.607 2.467 2.903 . 0 0 "[ . 1]" 1
347 2 17 MET H 2 18 THR H 3.300 . 3.300 2.698 2.464 2.835 . 0 0 "[ . 1]" 1
348 2 17 MET H 2 19 LEU H 4.200 . 4.200 4.178 3.896 4.270 0.070 2 0 "[ . 1]" 1
349 2 17 MET HA 2 18 THR H 4.200 . 4.200 3.401 3.306 3.488 . 0 0 "[ . 1]" 1
350 2 18 THR H 2 19 LEU H 2.800 . 2.800 2.210 2.093 2.498 . 0 0 "[ . 1]" 1
351 2 18 THR HA 2 19 LEU H 4.200 . 4.200 3.456 3.223 3.527 . 0 0 "[ . 1]" 1
352 2 18 THR HB 2 19 LEU H 4.200 . 4.200 3.297 2.820 4.219 0.019 3 0 "[ . 1]" 1
353 2 19 LEU H 2 19 LEU QB 2.800 . 2.800 2.133 2.038 2.274 . 0 0 "[ . 1]" 1
354 2 19 LEU H 2 19 LEU QD 4.200 . 4.200 3.077 2.385 3.730 . 0 0 "[ . 1]" 1
355 2 19 LEU H 2 19 LEU HG 4.200 . 4.200 4.321 4.226 4.377 0.177 5 0 "[ . 1]" 1
356 2 19 LEU HA 2 19 LEU QD 4.200 . 4.200 2.359 2.178 2.824 . 0 0 "[ . 1]" 1
357 2 19 LEU HA 2 20 ARG H 3.300 . 3.300 2.282 2.150 2.383 . 0 0 "[ . 1]" 1
358 2 19 LEU QB 2 19 LEU QD . . 2.800 1.893 1.855 1.923 . 0 0 "[ . 1]" 1
359 2 19 LEU QD 2 20 ARG H 4.200 . 4.200 3.322 3.115 3.475 . 0 0 "[ . 1]" 1
360 2 19 LEU QD 2 21 GLU H 3.300 . 3.300 3.142 2.288 3.377 0.077 10 0 "[ . 1]" 1
361 2 19 LEU QD 2 21 GLU QB 4.200 . 4.200 2.578 2.253 3.068 . 0 0 "[ . 1]" 1
362 2 19 LEU HG 2 21 GLU H 3.300 . 3.300 2.742 2.082 3.208 . 0 0 "[ . 1]" 1
363 2 20 ARG H 2 21 GLU H 4.200 . 4.200 2.001 1.859 2.247 . 0 0 "[ . 1]" 1
364 2 21 GLU H 2 21 GLU QG 4.200 . 4.200 3.495 2.029 4.127 . 0 0 "[ . 1]" 1
365 2 21 GLU H 2 22 ARG H 5.500 . 5.500 4.296 4.140 4.473 . 0 0 "[ . 1]" 1
366 2 21 GLU HA 2 22 ARG H 2.800 . 2.800 2.186 2.147 2.256 . 0 0 "[ . 1]" 1
367 2 21 GLU HA 2 22 ARG QB 4.200 . 4.200 4.146 4.054 4.228 0.028 10 0 "[ . 1]" 1
368 2 21 GLU QB 2 24 ILE H 5.500 . 5.500 2.689 2.445 3.014 . 0 0 "[ . 1]" 1
369 2 21 GLU QB 2 24 ILE HB 5.500 . 5.500 2.380 2.310 2.506 . 0 0 "[ . 1]" 1
370 2 21 GLU QB 2 24 ILE MD 4.200 . 4.200 2.569 2.113 4.019 . 0 0 "[ . 1]" 1
371 2 21 GLU QB 2 24 ILE MG 4.200 . 4.200 3.697 3.512 3.857 . 0 0 "[ . 1]" 1
372 2 21 GLU QG 2 22 ARG H . . 4.200 3.777 2.941 4.312 0.112 10 0 "[ . 1]" 1
373 2 21 GLU QG 2 24 ILE H 5.500 . 5.500 3.647 2.541 4.666 . 0 0 "[ . 1]" 1
374 2 21 GLU QG 2 24 ILE HB 4.200 . 4.200 3.896 3.268 4.269 0.069 6 0 "[ . 1]" 1
375 2 21 GLU QG 2 24 ILE MD 4.200 . 4.200 2.973 2.283 4.058 . 0 0 "[ . 1]" 1
376 2 22 ARG H 2 22 ARG QB 3.300 . 3.300 2.150 2.078 2.262 . 0 0 "[ . 1]" 1
377 2 22 ARG H 2 22 ARG QD 5.500 . 5.500 4.174 2.239 5.008 . 0 0 "[ . 1]" 1
378 2 22 ARG HA 2 22 ARG QD . . 4.200 3.822 2.236 4.150 . 0 0 "[ . 1]" 1
379 2 22 ARG HA 2 25 LEU H 3.300 . 3.300 3.300 3.165 3.420 0.120 4 0 "[ . 1]" 1
380 2 22 ARG HA 2 25 LEU QB 4.200 . 4.200 2.353 2.247 2.533 . 0 0 "[ . 1]" 1
381 2 22 ARG HA 2 25 LEU QD 3.300 . 3.300 2.935 2.776 3.292 . 0 0 "[ . 1]" 1
382 2 22 ARG HA 2 25 LEU MD2 3.300 . 3.300 3.103 2.896 3.350 0.050 6 0 "[ . 1]" 1
383 2 22 ARG HA 2 26 GLN H 5.500 . 5.500 4.491 4.262 4.682 . 0 0 "[ . 1]" 1
384 2 23 HIS HA 2 24 ILE HA 5.500 . 5.500 4.807 4.774 4.833 . 0 0 "[ . 1]" 1
385 2 23 HIS HA 2 25 LEU H 5.500 . 5.500 4.188 4.136 4.277 . 0 0 "[ . 1]" 1
386 2 23 HIS HA 2 26 GLN H 4.200 . 4.200 3.524 3.382 3.732 . 0 0 "[ . 1]" 1
387 2 23 HIS HA 2 26 GLN QB 4.200 . 4.200 3.171 2.908 3.578 . 0 0 "[ . 1]" 1
388 2 23 HIS QB 2 24 ILE H 4.200 . 4.200 2.399 2.104 2.764 . 0 0 "[ . 1]" 1
389 2 24 ILE H 2 24 ILE HB 4.200 . 4.200 2.330 2.245 2.426 . 0 0 "[ . 1]" 1
390 2 24 ILE H 2 24 ILE MD 4.200 . 4.200 3.550 3.369 4.047 . 0 0 "[ . 1]" 1
391 2 24 ILE H 2 24 ILE QG 4.200 . 4.200 2.417 2.210 2.675 . 0 0 "[ . 1]" 1
392 2 24 ILE H 2 25 LEU H 3.300 . 3.300 2.676 2.544 2.789 . 0 0 "[ . 1]" 1
393 2 24 ILE HA 2 24 ILE MD 4.200 . 4.200 3.475 2.264 3.793 . 0 0 "[ . 1]" 1
394 2 24 ILE HA 2 24 ILE MG 2.800 . 2.800 2.465 2.402 2.540 . 0 0 "[ . 1]" 1
395 2 24 ILE HA 2 25 LEU H 4.200 . 4.200 3.512 3.497 3.522 . 0 0 "[ . 1]" 1
396 2 24 ILE HA 2 27 GLN H 4.200 . 4.200 3.490 3.352 3.602 . 0 0 "[ . 1]" 1
397 2 24 ILE HB 2 24 ILE MD 3.300 . 3.300 2.455 2.249 3.167 . 0 0 "[ . 1]" 1
398 2 24 ILE HB 2 25 LEU H 2.800 . 2.800 2.857 2.822 2.895 0.095 10 0 "[ . 1]" 1
399 2 24 ILE MD 2 25 LEU H 5.500 . 5.500 4.704 4.651 4.843 . 0 0 "[ . 1]" 1
400 2 24 ILE MD 2 63 TYR QE 5.500 . 5.500 4.884 3.198 5.520 0.020 3 0 "[ . 1]" 1
401 2 24 ILE MD 2 64 LEU HA 4.200 . 4.200 4.069 3.699 4.307 0.107 5 0 "[ . 1]" 1
402 2 24 ILE MG 2 25 LEU H 3.300 . 3.300 3.317 3.164 3.401 0.101 4 0 "[ . 1]" 1
403 2 24 ILE MG 2 26 GLN H 5.500 . 5.500 4.889 4.747 5.067 . 0 0 "[ . 1]" 1
404 2 24 ILE MG 2 63 TYR QB 4.200 . 4.200 2.878 2.411 3.440 . 0 0 "[ . 1]" 1
405 2 24 ILE MG 2 63 TYR QE 4.200 . 4.200 3.904 3.437 4.132 . 0 0 "[ . 1]" 1
406 2 24 ILE MG 2 64 LEU H 5.500 . 5.500 4.986 4.690 5.300 . 0 0 "[ . 1]" 1
407 2 24 ILE MG 2 64 LEU HA 4.200 . 4.200 4.242 4.211 4.268 0.068 4 0 "[ . 1]" 1
408 2 25 LEU H 2 25 LEU QB 3.300 . 3.300 2.086 2.046 2.173 . 0 0 "[ . 1]" 1
409 2 25 LEU H 2 25 LEU MD2 4.200 . 4.200 3.934 2.248 4.304 0.104 7 0 "[ . 1]" 1
410 2 25 LEU H 2 25 LEU HG 5.500 . 5.500 4.300 4.102 4.486 . 0 0 "[ . 1]" 1
411 2 25 LEU H 2 26 GLN H 4.200 . 4.200 2.700 2.652 2.846 . 0 0 "[ . 1]" 1
412 2 25 LEU H 2 26 GLN QB 5.500 . 5.500 4.590 4.399 4.861 . 0 0 "[ . 1]" 1
413 2 25 LEU HA 2 25 LEU MD2 4.200 . 4.200 3.541 2.195 3.747 . 0 0 "[ . 1]" 1
414 2 25 LEU HA 2 25 LEU HG 4.200 . 4.200 2.492 2.330 3.536 . 0 0 "[ . 1]" 1
415 2 25 LEU HA 2 28 ILE HB 4.200 . 4.200 2.686 2.512 2.888 . 0 0 "[ . 1]" 1
416 2 25 LEU HA 2 28 ILE MD 3.300 . 3.300 2.264 2.230 2.293 . 0 0 "[ . 1]" 1
417 2 25 LEU HA 2 28 ILE MG 4.200 . 4.200 4.013 3.819 4.207 0.007 9 0 "[ . 1]" 1
418 2 25 LEU QB 2 26 GLN H 4.200 . 4.200 2.630 2.478 2.775 . 0 0 "[ . 1]" 1
419 2 25 LEU QB 2 28 ILE QG 5.500 . 5.500 5.399 5.117 5.519 0.019 8 0 "[ . 1]" 1
420 2 26 GLN H 2 26 GLN QB 3.300 . 3.300 2.350 2.122 2.586 . 0 0 "[ . 1]" 1
421 2 26 GLN H 2 26 GLN QG 4.200 . 4.200 2.394 2.000 2.908 . 0 0 "[ . 1]" 1
422 2 26 GLN H 2 27 GLN H . . 3.300 2.768 2.682 2.855 . 0 0 "[ . 1]" 1
423 2 26 GLN H 2 28 ILE MD 5.500 . 5.500 5.092 5.020 5.193 . 0 0 "[ . 1]" 1
424 2 26 GLN HA 2 27 GLN H 5.500 . 5.500 3.551 3.502 3.568 . 0 0 "[ . 1]" 1
425 2 26 GLN HA 2 29 VAL H 4.200 . 4.200 3.665 3.584 3.766 . 0 0 "[ . 1]" 1
426 2 26 GLN HA 2 29 VAL HB 4.200 . 4.200 3.290 3.108 3.622 . 0 0 "[ . 1]" 1
427 2 26 GLN HA 2 29 VAL MG1 5.500 . 5.500 4.364 4.227 4.563 . 0 0 "[ . 1]" 1
428 2 26 GLN HA 2 29 VAL MG2 4.200 . 4.200 2.320 2.292 2.344 . 0 0 "[ . 1]" 1
429 2 26 GLN HA 2 30 ASN H 5.500 . 5.500 4.785 4.614 5.150 . 0 0 "[ . 1]" 1
430 2 26 GLN QB 2 27 GLN H 3.300 . 3.300 2.527 2.330 2.844 . 0 0 "[ . 1]" 1
431 2 27 GLN H 2 27 GLN QG 4.200 . 4.200 2.736 1.837 3.885 . 0 0 "[ . 1]" 1
432 2 27 GLN H 2 28 ILE H 3.300 . 3.300 2.704 2.433 2.798 . 0 0 "[ . 1]" 1
433 2 27 GLN H 2 28 ILE MD 5.500 . 5.500 5.029 4.840 5.178 . 0 0 "[ . 1]" 1
434 2 27 GLN H 2 29 VAL H 5.500 . 5.500 4.369 4.177 4.479 . 0 0 "[ . 1]" 1
435 2 27 GLN HA 2 28 ILE H 4.200 . 4.200 3.551 3.521 3.560 . 0 0 "[ . 1]" 1
436 2 27 GLN HA 2 30 ASN H 4.200 . 4.200 3.632 3.561 3.691 . 0 0 "[ . 1]" 1
437 2 27 GLN HA 2 30 ASN QB 4.200 . 4.200 3.201 2.818 3.666 . 0 0 "[ . 1]" 1
438 2 27 GLN HA 2 31 LEU H 5.500 . 5.500 4.699 4.662 4.765 . 0 0 "[ . 1]" 1
439 2 27 GLN QB 2 30 ASN QB 5.500 . 5.500 4.398 4.105 4.855 . 0 0 "[ . 1]" 1
440 2 27 GLN QB 2 63 TYR QE 4.200 . 4.200 2.667 2.090 3.073 . 0 0 "[ . 1]" 1
441 2 27 GLN QG 2 28 ILE H 5.500 . 5.500 4.163 3.784 4.440 . 0 0 "[ . 1]" 1
442 2 27 GLN QG 2 63 TYR QE 4.200 . 4.200 3.242 2.596 3.840 . 0 0 "[ . 1]" 1
443 2 28 ILE H 2 28 ILE HB 3.300 . 3.300 2.356 2.321 2.434 . 0 0 "[ . 1]" 1
444 2 28 ILE H 2 28 ILE MD 3.300 . 3.300 3.350 3.273 3.432 0.132 10 0 "[ . 1]" 1
445 2 28 ILE H 2 28 ILE QG 4.200 . 4.200 2.343 2.152 2.422 . 0 0 "[ . 1]" 1
446 2 28 ILE H 2 28 ILE MG 4.200 . 4.200 3.717 3.704 3.734 . 0 0 "[ . 1]" 1
447 2 28 ILE H 2 29 VAL H 3.300 . 3.300 2.823 2.733 2.897 . 0 0 "[ . 1]" 1
448 2 28 ILE H 2 29 VAL MG2 4.200 . 4.200 4.138 3.989 4.222 0.022 6 0 "[ . 1]" 1
449 2 28 ILE HA 2 28 ILE MD 4.200 . 4.200 3.775 3.757 3.804 . 0 0 "[ . 1]" 1
450 2 28 ILE HA 2 28 ILE MG 3.300 . 3.300 2.438 2.357 2.486 . 0 0 "[ . 1]" 1
451 2 28 ILE HA 2 29 VAL H 5.500 . 5.500 3.563 3.541 3.574 . 0 0 "[ . 1]" 1
452 2 28 ILE HA 2 31 LEU H 4.200 . 4.200 3.202 3.067 3.265 . 0 0 "[ . 1]" 1
453 2 28 ILE HA 2 31 LEU QB . . 4.200 2.405 2.303 2.587 . 0 0 "[ . 1]" 1
454 2 28 ILE HA 2 31 LEU MD1 5.500 . 5.500 4.955 4.205 5.240 . 0 0 "[ . 1]" 1
455 2 28 ILE HA 2 60 LEU MD1 5.500 . 5.500 5.363 4.918 5.511 0.011 3 0 "[ . 1]" 1
456 2 28 ILE HA 2 63 TYR QD 5.500 . 5.500 4.428 4.206 4.833 . 0 0 "[ . 1]" 1
457 2 28 ILE HA 2 63 TYR QE 5.500 . 5.500 3.905 3.645 4.687 . 0 0 "[ . 1]" 1
458 2 28 ILE HB 2 28 ILE MD 3.300 . 3.300 2.263 2.223 2.285 . 0 0 "[ . 1]" 1
459 2 28 ILE HB 2 29 VAL H 3.300 . 3.300 2.466 2.408 2.591 . 0 0 "[ . 1]" 1
460 2 28 ILE HB 2 29 VAL MG1 5.500 . 5.500 5.551 5.499 5.608 0.108 6 0 "[ . 1]" 1
461 2 28 ILE HB 2 29 VAL MG2 5.500 . 5.500 3.386 3.321 3.530 . 0 0 "[ . 1]" 1
462 2 28 ILE MD 2 29 VAL H 4.200 . 4.200 4.322 4.275 4.424 0.224 9 0 "[ . 1]" 1
463 2 28 ILE MD 2 29 VAL MG2 5.500 . 5.500 4.550 4.460 4.685 . 0 0 "[ . 1]" 1
464 2 28 ILE MD 2 63 TYR QD 4.200 . 4.200 4.252 4.143 4.294 0.094 1 0 "[ . 1]" 1
465 2 28 ILE QG 2 29 VAL MG2 5.500 . 5.500 5.022 4.952 5.106 . 0 0 "[ . 1]" 1
466 2 28 ILE QG 2 63 TYR QD . . 3.300 3.355 3.302 3.465 0.165 4 0 "[ . 1]" 1
467 2 28 ILE MG 2 29 VAL H 4.200 . 4.200 2.965 2.802 3.309 . 0 0 "[ . 1]" 1
468 2 28 ILE MG 2 29 VAL HA 4.200 . 4.200 3.148 3.003 3.405 . 0 0 "[ . 1]" 1
469 2 28 ILE MG 2 32 ILE MD 4.200 . 4.200 2.693 2.453 3.041 . 0 0 "[ . 1]" 1
470 2 28 ILE MG 2 32 ILE QG 4.200 . 4.200 2.550 2.263 2.806 . 0 0 "[ . 1]" 1
471 2 28 ILE MG 2 47 PHE QE 4.200 . 4.200 4.113 3.993 4.268 0.068 7 0 "[ . 1]" 1
472 2 28 ILE MG 2 63 TYR QD 5.500 . 5.500 4.966 4.812 5.392 . 0 0 "[ . 1]" 1
473 2 29 VAL H 2 29 VAL HB 3.300 . 3.300 2.681 2.621 2.770 . 0 0 "[ . 1]" 1
474 2 29 VAL H 2 29 VAL MG1 4.200 . 4.200 3.747 3.730 3.760 . 0 0 "[ . 1]" 1
475 2 29 VAL H 2 29 VAL MG2 . . 2.800 2.028 1.951 2.109 . 0 0 "[ . 1]" 1
476 2 29 VAL H 2 30 ASN H 3.300 . 3.300 2.941 2.879 3.018 . 0 0 "[ . 1]" 1
477 2 29 VAL HA 2 29 VAL MG1 3.300 . 3.300 2.299 2.245 2.334 . 0 0 "[ . 1]" 1
478 2 29 VAL HA 2 29 VAL MG2 . . 3.300 2.334 2.282 2.371 . 0 0 "[ . 1]" 1
479 2 29 VAL HA 2 30 ASN H 5.500 . 5.500 3.553 3.544 3.570 . 0 0 "[ . 1]" 1
480 2 29 VAL HA 2 32 ILE H 5.500 . 5.500 3.566 3.390 3.836 . 0 0 "[ . 1]" 1
481 2 29 VAL HA 2 32 ILE HB . . 4.200 3.293 3.084 3.576 . 0 0 "[ . 1]" 1
482 2 29 VAL HA 2 32 ILE QG 4.200 . 4.200 2.594 2.315 2.939 . 0 0 "[ . 1]" 1
483 2 29 VAL HA 2 45 PHE QE 4.200 . 4.200 3.444 3.028 3.617 . 0 0 "[ . 1]" 1
484 2 29 VAL HA 2 45 PHE HZ 5.500 . 5.500 3.735 3.438 3.928 . 0 0 "[ . 1]" 1
485 2 29 VAL HB 2 30 ASN H 3.300 . 3.300 2.517 2.364 2.604 . 0 0 "[ . 1]" 1
486 2 29 VAL MG1 2 29 VAL MG2 2.800 . 2.800 1.995 1.852 2.047 . 0 0 "[ . 1]" 1
487 2 29 VAL MG1 2 30 ASN H 4.200 . 4.200 3.473 3.331 3.677 . 0 0 "[ . 1]" 1
488 2 29 VAL MG1 2 30 ASN HA 4.200 . 4.200 3.577 3.415 3.889 . 0 0 "[ . 1]" 1
489 2 29 VAL MG1 2 33 GLU H 5.500 . 5.500 4.159 3.936 4.334 . 0 0 "[ . 1]" 1
490 2 29 VAL MG1 2 33 GLU QB 4.200 . 4.200 4.148 3.775 4.257 0.057 2 0 "[ . 1]" 1
491 2 29 VAL MG1 2 33 GLU QG 5.500 . 5.500 3.087 2.667 3.182 . 0 0 "[ . 1]" 1
492 2 29 VAL MG1 2 40 ILE MD 5.500 . 5.500 4.741 4.464 4.945 . 0 0 "[ . 1]" 1
493 2 29 VAL MG1 2 45 PHE QD 4.200 . 4.200 3.630 3.076 4.067 . 0 0 "[ . 1]" 1
494 2 29 VAL MG1 2 45 PHE QE 4.200 . 4.200 2.577 2.185 3.059 . 0 0 "[ . 1]" 1
495 2 29 VAL MG1 2 45 PHE HZ 4.200 . 4.200 3.126 2.872 3.544 . 0 0 "[ . 1]" 1
496 2 29 VAL MG2 2 30 ASN H 4.200 . 4.200 3.772 3.688 3.840 . 0 0 "[ . 1]" 1
497 2 29 VAL MG2 2 33 GLU QG 5.500 . 5.500 5.396 4.996 5.590 0.090 7 0 "[ . 1]" 1
498 2 29 VAL MG2 2 45 PHE QD 4.200 . 4.200 3.797 3.523 4.088 . 0 0 "[ . 1]" 1
499 2 29 VAL MG2 2 45 PHE QE 4.200 . 4.200 2.830 2.555 3.345 . 0 0 "[ . 1]" 1
500 2 30 ASN H 2 30 ASN QB 2.800 . 2.800 2.290 2.067 2.694 . 0 0 "[ . 1]" 1
501 2 30 ASN H 2 31 LEU H 3.300 . 3.300 2.686 2.596 2.760 . 0 0 "[ . 1]" 1
502 2 30 ASN HA 2 33 GLU H 4.200 . 4.200 3.283 3.203 3.455 . 0 0 "[ . 1]" 1
503 2 30 ASN HA 2 34 GLU H 4.200 . 4.200 4.264 4.237 4.307 0.107 9 0 "[ . 1]" 1
504 2 30 ASN QB 2 31 LEU H 3.300 . 3.300 2.537 2.331 2.782 . 0 0 "[ . 1]" 1
505 2 30 ASN QB 2 31 LEU QB 5.500 . 5.500 4.050 3.919 4.347 . 0 0 "[ . 1]" 1
506 2 31 LEU H 2 31 LEU MD1 4.200 . 4.200 4.079 3.864 4.126 . 0 0 "[ . 1]" 1
507 2 31 LEU H 2 31 LEU HG 4.200 . 4.200 4.286 4.240 4.400 0.200 3 0 "[ . 1]" 1
508 2 31 LEU H 2 32 ILE H 3.300 . 3.300 2.760 2.700 2.969 . 0 0 "[ . 1]" 1
509 2 31 LEU H 2 33 GLU H 5.500 . 5.500 4.207 3.940 4.546 . 0 0 "[ . 1]" 1
510 2 31 LEU HA 2 31 LEU MD1 2.800 . 2.800 2.187 2.114 2.270 . 0 0 "[ . 1]" 1
511 2 31 LEU HA 2 31 LEU HG 4.200 . 4.200 3.394 2.548 3.525 . 0 0 "[ . 1]" 1
512 2 31 LEU HA 2 32 ILE H 5.500 . 5.500 3.522 3.471 3.555 . 0 0 "[ . 1]" 1
513 2 31 LEU HA 2 34 GLU H 4.200 . 4.200 3.449 3.206 3.742 . 0 0 "[ . 1]" 1
514 2 31 LEU HA 2 34 GLU QB 4.200 . 4.200 2.646 2.353 3.097 . 0 0 "[ . 1]" 1
515 2 31 LEU QB 2 32 ILE H 4.200 . 4.200 2.691 2.031 2.928 . 0 0 "[ . 1]" 1
516 2 31 LEU QB 2 56 THR MG 4.200 . 4.200 2.782 2.335 4.094 . 0 0 "[ . 1]" 1
517 2 31 LEU QB 2 63 TYR QE 5.500 . 5.500 3.572 3.072 4.563 . 0 0 "[ . 1]" 1
518 2 31 LEU MD1 2 32 ILE H 4.200 . 4.200 4.252 4.128 4.502 0.302 3 0 "[ . 1]" 1
519 2 31 LEU MD1 2 34 GLU H 5.500 . 5.500 4.405 4.207 4.902 . 0 0 "[ . 1]" 1
520 2 31 LEU MD1 2 34 GLU QB 4.200 . 4.200 2.959 2.688 3.297 . 0 0 "[ . 1]" 1
521 2 31 LEU MD1 2 34 GLU QG 5.500 . 5.500 3.989 3.188 4.583 . 0 0 "[ . 1]" 1
522 2 31 LEU MD1 2 56 THR HA 4.200 . 4.200 2.610 2.242 3.015 . 0 0 "[ . 1]" 1
523 2 31 LEU MD1 2 59 LYS H 4.200 . 4.200 4.212 4.061 4.297 0.097 9 0 "[ . 1]" 1
524 2 31 LEU MD1 2 59 LYS QB 4.200 . 4.200 2.222 2.033 2.494 . 0 0 "[ . 1]" 1
525 2 31 LEU MD1 2 59 LYS QD 4.200 . 4.200 2.601 1.971 3.694 . 0 0 "[ . 1]" 1
526 2 31 LEU MD1 2 59 LYS QE 4.200 . 4.200 3.771 3.176 4.214 0.014 3 0 "[ . 1]" 1
527 2 31 LEU MD1 2 59 LYS HG2 4.200 . 4.200 3.484 2.368 4.080 . 0 0 "[ . 1]" 1
528 2 31 LEU MD1 2 63 TYR QD 5.500 . 5.500 4.859 3.672 5.145 . 0 0 "[ . 1]" 1
529 2 31 LEU MD1 2 63 TYR QE 4.200 . 4.200 3.958 2.399 4.205 0.005 1 0 "[ . 1]" 1
530 2 32 ILE H 2 32 ILE HB 3.300 . 3.300 2.670 2.508 2.873 . 0 0 "[ . 1]" 1
531 2 32 ILE H 2 32 ILE MD 4.200 . 4.200 2.742 2.167 3.687 . 0 0 "[ . 1]" 1
532 2 32 ILE H 2 32 ILE QG . . 3.300 1.939 1.797 2.164 0.003 3 0 "[ . 1]" 1
533 2 32 ILE H 2 32 ILE MG 4.200 . 4.200 3.737 3.703 3.767 . 0 0 "[ . 1]" 1
534 2 32 ILE H 2 33 GLU H 4.200 . 4.200 2.599 2.519 2.888 . 0 0 "[ . 1]" 1
535 2 32 ILE HA 2 32 ILE MD 3.300 . 3.300 2.127 2.078 2.261 . 0 0 "[ . 1]" 1
536 2 32 ILE HA 2 33 GLU H 5.500 . 5.500 3.530 3.462 3.567 . 0 0 "[ . 1]" 1
537 2 32 ILE HA 2 35 THR H 5.500 . 5.500 3.624 3.486 3.703 . 0 0 "[ . 1]" 1
538 2 32 ILE HB 2 33 GLU H 5.500 . 5.500 2.603 2.326 2.996 . 0 0 "[ . 1]" 1
539 2 32 ILE HB 2 38 PHE QE 5.500 . 5.500 5.611 5.552 5.726 0.226 4 0 "[ . 1]" 1
540 2 32 ILE HB 2 45 PHE QE 5.500 . 5.500 4.142 3.761 4.606 . 0 0 "[ . 1]" 1
541 2 32 ILE HB 2 45 PHE HZ 5.500 . 5.500 2.990 2.465 3.558 . 0 0 "[ . 1]" 1
542 2 32 ILE MD 2 32 ILE MG 2.800 . 2.800 1.872 1.799 1.924 0.001 9 0 "[ . 1]" 1
543 2 32 ILE MD 2 33 GLU H 5.500 . 5.500 4.381 4.241 4.734 . 0 0 "[ . 1]" 1
544 2 32 ILE MD 2 35 THR MG 3.300 . 3.300 3.272 3.138 3.404 0.104 3 0 "[ . 1]" 1
545 2 32 ILE MD 2 47 PHE QE 4.200 . 4.200 2.981 2.710 3.434 . 0 0 "[ . 1]" 1
546 2 32 ILE MD 2 49 LEU MD1 4.200 . 4.200 4.035 3.797 4.220 0.020 7 0 "[ . 1]" 1
547 2 32 ILE MD 2 52 LEU MD2 3.300 . 3.300 2.605 2.173 3.284 . 0 0 "[ . 1]" 1
548 2 32 ILE MD 2 52 LEU HG 4.200 . 4.200 4.019 3.171 4.335 0.135 2 0 "[ . 1]" 1
549 2 32 ILE MD 2 56 THR MG 3.300 . 3.300 2.485 2.019 3.148 . 0 0 "[ . 1]" 1
550 2 32 ILE MG 2 33 GLU H 4.200 . 4.200 3.695 3.307 4.021 . 0 0 "[ . 1]" 1
551 2 32 ILE MG 2 37 HIS H 5.500 . 5.500 3.818 3.552 4.204 . 0 0 "[ . 1]" 1
552 2 32 ILE MG 2 38 PHE H 5.500 . 5.500 4.774 4.617 5.083 . 0 0 "[ . 1]" 1
553 2 32 ILE MG 2 38 PHE HA 5.500 . 5.500 3.799 3.537 3.957 . 0 0 "[ . 1]" 1
554 2 32 ILE MG 2 38 PHE QB 4.200 . 4.200 2.067 2.016 2.170 . 0 0 "[ . 1]" 1
555 2 32 ILE MG 2 38 PHE QD 4.200 . 4.200 2.793 2.259 3.125 . 0 0 "[ . 1]" 1
556 2 32 ILE MG 2 45 PHE QD 5.500 . 5.500 5.272 5.077 5.480 . 0 0 "[ . 1]" 1
557 2 32 ILE MG 2 45 PHE QE 4.200 . 4.200 3.406 3.159 3.651 . 0 0 "[ . 1]" 1
558 2 32 ILE MG 2 45 PHE HZ 4.200 . 4.200 2.742 2.588 3.057 . 0 0 "[ . 1]" 1
559 2 32 ILE MG 2 47 PHE QB 4.200 . 4.200 2.412 2.158 2.777 . 0 0 "[ . 1]" 1
560 2 32 ILE MG 2 47 PHE QD 4.200 . 4.200 2.714 2.284 3.332 . 0 0 "[ . 1]" 1
561 2 32 ILE MG 2 52 LEU MD2 4.200 . 4.200 2.395 2.112 3.124 . 0 0 "[ . 1]" 1
562 2 33 GLU H 2 33 GLU QG 4.200 . 4.200 2.648 2.308 3.432 . 0 0 "[ . 1]" 1
563 2 33 GLU H 2 34 GLU H 4.200 . 4.200 2.548 2.363 2.748 . 0 0 "[ . 1]" 1
564 2 33 GLU HA 2 38 PHE QD 4.200 . 4.200 2.978 2.590 3.272 . 0 0 "[ . 1]" 1
565 2 33 GLU QB 2 34 GLU H 4.200 . 4.200 2.872 2.808 2.991 . 0 0 "[ . 1]" 1
566 2 33 GLU QG 2 38 PHE QE 5.500 . 5.500 3.350 3.084 3.954 . 0 0 "[ . 1]" 1
567 2 33 GLU QG 2 45 PHE QE 5.500 . 5.500 4.246 3.459 4.942 . 0 0 "[ . 1]" 1
568 2 33 GLU QG 2 45 PHE HZ 5.500 . 5.500 4.253 3.369 5.129 . 0 0 "[ . 1]" 1
569 2 34 GLU H 2 34 GLU QB 2.800 . 2.800 2.198 2.054 2.380 . 0 0 "[ . 1]" 1
570 2 34 GLU H 2 34 GLU QG 4.200 . 4.200 3.598 2.361 4.056 . 0 0 "[ . 1]" 1
571 2 34 GLU H 2 35 THR H 3.300 . 3.300 2.726 2.625 2.842 . 0 0 "[ . 1]" 1
572 2 34 GLU HA 2 34 GLU QB 2.800 . 2.800 2.457 2.353 2.539 . 0 0 "[ . 1]" 1
573 2 34 GLU HA 2 35 THR H 4.200 . 4.200 3.561 3.525 3.580 . 0 0 "[ . 1]" 1
574 2 34 GLU QB 2 35 THR H 4.200 . 4.200 2.437 2.297 2.648 . 0 0 "[ . 1]" 1
575 2 35 THR HA 2 37 HIS H 4.200 . 4.200 4.278 4.230 4.298 0.098 6 0 "[ . 1]" 1
576 2 35 THR HB 2 56 THR H 4.200 . 4.200 4.334 4.297 4.392 0.192 3 0 "[ . 1]" 1
577 2 36 GLY H 2 37 HIS H 4.200 . 4.200 2.851 2.792 2.898 . 0 0 "[ . 1]" 1
578 2 36 GLY H 2 38 PHE QD 5.500 . 5.500 4.141 4.028 4.256 . 0 0 "[ . 1]" 1
579 2 36 GLY QA 2 37 HIS H 4.200 . 4.200 2.820 2.806 2.834 . 0 0 "[ . 1]" 1
580 2 36 GLY QA 2 38 PHE QD 5.500 . 5.500 3.317 3.187 3.535 . 0 0 "[ . 1]" 1
581 2 36 GLY QA 2 38 PHE QE 4.200 . 4.200 2.332 2.307 2.369 . 0 0 "[ . 1]" 1
582 2 37 HIS H 2 37 HIS QB 3.300 . 3.300 2.421 2.343 2.543 . 0 0 "[ . 1]" 1
583 2 37 HIS H 2 37 HIS HD1 5.500 . 5.500 4.148 3.558 4.568 . 0 0 "[ . 1]" 1
584 2 37 HIS H 2 38 PHE H 4.200 . 4.200 3.996 3.933 4.031 . 0 0 "[ . 1]" 1
585 2 37 HIS H 2 38 PHE QD 5.500 . 5.500 2.744 2.453 2.920 . 0 0 "[ . 1]" 1
586 2 37 HIS HA 2 38 PHE H 3.300 . 3.300 2.208 2.194 2.225 . 0 0 "[ . 1]" 1
587 2 37 HIS QB 2 38 PHE H 4.200 . 4.200 3.820 3.738 3.964 . 0 0 "[ . 1]" 1
588 2 37 HIS QB 2 52 LEU MD2 4.200 . 4.200 2.712 2.343 3.689 . 0 0 "[ . 1]" 1
589 2 37 HIS HD1 2 52 LEU MD2 4.200 . 4.200 4.089 3.644 4.247 0.047 2 0 "[ . 1]" 1
590 2 38 PHE H 2 38 PHE QD 4.200 . 4.200 3.303 3.227 3.368 . 0 0 "[ . 1]" 1
591 2 38 PHE H 2 39 HIS H 5.500 . 5.500 4.363 4.357 4.373 . 0 0 "[ . 1]" 1
592 2 38 PHE HA 2 39 HIS H 3.300 . 3.300 2.630 2.581 2.666 . 0 0 "[ . 1]" 1
593 2 38 PHE HA 2 47 PHE HA 4.200 . 4.200 3.063 2.770 3.287 . 0 0 "[ . 1]" 1
594 2 38 PHE HA 2 47 PHE QB . . 4.200 2.813 2.422 3.074 . 0 0 "[ . 1]" 1
595 2 38 PHE QB 2 39 HIS H 3.300 . 3.300 1.997 1.961 2.034 . 0 0 "[ . 1]" 1
596 2 38 PHE QB 2 39 HIS QB 4.200 . 4.200 4.209 4.165 4.224 0.024 2 0 "[ . 1]" 1
597 2 38 PHE QD 2 39 HIS H 5.500 . 5.500 2.602 2.472 2.695 . 0 0 "[ . 1]" 1
598 2 38 PHE QD 2 40 ILE MD 4.200 . 4.200 4.230 4.118 4.285 0.085 9 0 "[ . 1]" 1
599 2 38 PHE QD 2 40 ILE QG 5.500 . 5.500 4.911 4.867 4.957 . 0 0 "[ . 1]" 1
600 2 38 PHE QD 2 40 ILE MG 5.500 . 5.500 3.528 3.443 3.642 . 0 0 "[ . 1]" 1
601 2 38 PHE QE 2 40 ILE MD 4.200 . 4.200 3.452 3.382 3.549 . 0 0 "[ . 1]" 1
602 2 38 PHE QE 2 40 ILE MG 4.200 . 4.200 2.315 2.213 2.457 . 0 0 "[ . 1]" 1
603 2 39 HIS H 2 39 HIS HD1 5.500 . 5.500 4.373 3.859 4.618 . 0 0 "[ . 1]" 1
604 2 39 HIS H 2 40 ILE H 4.200 . 4.200 3.872 3.808 3.906 . 0 0 "[ . 1]" 1
605 2 39 HIS H 2 46 ASP H 4.200 . 4.200 4.232 4.160 4.303 0.103 6 0 "[ . 1]" 1
606 2 39 HIS HA 2 40 ILE H 3.300 . 3.300 2.201 2.193 2.207 . 0 0 "[ . 1]" 1
607 2 39 HIS HA 2 40 ILE HB 5.500 . 5.500 4.720 4.698 4.736 . 0 0 "[ . 1]" 1
608 2 39 HIS HA 2 40 ILE MG 4.200 . 4.200 3.680 3.630 3.706 . 0 0 "[ . 1]" 1
609 2 39 HIS QB 2 40 ILE H 4.200 . 4.200 3.855 3.756 3.983 . 0 0 "[ . 1]" 1
610 2 39 HIS QB 2 46 ASP H 5.500 . 5.500 4.111 3.692 4.521 . 0 0 "[ . 1]" 1
611 2 39 HIS HD1 2 40 ILE H 5.500 . 5.500 3.897 2.596 4.371 . 0 0 "[ . 1]" 1
612 2 40 ILE H 2 40 ILE HB 3.300 . 3.300 2.744 2.693 2.788 . 0 0 "[ . 1]" 1
613 2 40 ILE H 2 40 ILE MD 4.200 . 4.200 4.349 4.322 4.368 0.168 8 0 "[ . 1]" 1
614 2 40 ILE H 2 40 ILE QG . . 4.200 3.969 3.949 3.979 . 0 0 "[ . 1]" 1
615 2 40 ILE H 2 40 ILE MG 4.200 . 4.200 1.820 1.791 1.876 0.009 4 0 "[ . 1]" 1
616 2 40 ILE HA 2 40 ILE MD 4.200 . 4.200 3.088 3.019 3.183 . 0 0 "[ . 1]" 1
617 2 40 ILE HA 2 41 THR H 3.300 . 3.300 2.152 2.141 2.173 . 0 0 "[ . 1]" 1
618 2 40 ILE HA 2 45 PHE HA 4.200 . 4.200 2.341 2.291 2.510 . 0 0 "[ . 1]" 1
619 2 40 ILE HA 2 46 ASP H 4.200 . 4.200 2.720 2.423 3.300 . 0 0 "[ . 1]" 1
620 2 40 ILE HB 2 41 THR H 5.500 . 5.500 4.258 4.157 4.335 . 0 0 "[ . 1]" 1
621 2 40 ILE MD 2 41 THR H 4.200 . 4.200 3.996 3.774 4.217 0.017 4 0 "[ . 1]" 1
622 2 40 ILE MD 2 45 PHE HA 4.200 . 4.200 3.340 2.990 4.143 . 0 0 "[ . 1]" 1
623 2 40 ILE MD 2 45 PHE QD 4.200 . 4.200 2.327 2.293 2.389 . 0 0 "[ . 1]" 1
624 2 40 ILE MD 2 45 PHE QE 4.200 . 4.200 3.745 3.378 3.896 . 0 0 "[ . 1]" 1
625 2 40 ILE QG 2 45 PHE QD 4.200 . 4.200 3.238 2.982 3.393 . 0 0 "[ . 1]" 1
626 2 40 ILE MG 2 41 THR H 4.200 . 4.200 3.965 3.844 4.059 . 0 0 "[ . 1]" 1
627 2 40 ILE MG 2 45 PHE QD 4.200 . 4.200 4.293 4.255 4.338 0.138 8 0 "[ . 1]" 1
628 2 41 THR H 2 44 THR H 4.200 . 4.200 3.558 3.423 3.642 . 0 0 "[ . 1]" 1
629 2 41 THR HA 2 42 ASN H 4.200 . 4.200 2.310 2.282 2.326 . 0 0 "[ . 1]" 1
630 2 41 THR HA 2 42 ASN QB 4.200 . 4.200 4.190 4.115 4.229 0.029 5 0 "[ . 1]" 1
631 2 41 THR HA 2 43 THR H 4.200 . 4.200 3.894 3.720 4.123 . 0 0 "[ . 1]" 1
632 2 41 THR HA 2 44 THR H 4.200 . 4.200 4.216 4.171 4.256 0.056 7 0 "[ . 1]" 1
633 2 41 THR MG 2 42 ASN H 5.500 . 5.500 2.135 1.890 2.448 . 0 0 "[ . 1]" 1
634 2 41 THR MG 2 43 THR H 4.200 . 4.200 2.745 1.806 3.148 . 0 0 "[ . 1]" 1
635 2 41 THR MG 2 44 THR H 4.200 . 4.200 3.586 2.947 3.797 . 0 0 "[ . 1]" 1
636 2 42 ASN HA 2 42 ASN QB 2.800 . 2.800 2.418 2.162 2.536 . 0 0 "[ . 1]" 1
637 2 42 ASN QB 2 43 THR H 4.200 . 4.200 3.196 2.719 3.770 . 0 0 "[ . 1]" 1
638 2 42 ASN QB 2 43 THR MG 4.200 . 4.200 2.985 2.360 4.045 . 0 0 "[ . 1]" 1
639 2 43 THR H 2 43 THR MG 4.200 . 4.200 3.157 2.614 3.537 . 0 0 "[ . 1]" 1
640 2 43 THR HA 2 43 THR MG . . 2.800 2.272 2.164 2.478 . 0 0 "[ . 1]" 1
641 2 43 THR HB 2 44 THR MG 5.500 . 5.500 5.014 4.757 5.464 . 0 0 "[ . 1]" 1
642 2 44 THR H 2 44 THR MG 4.200 . 4.200 4.047 4.040 4.055 . 0 0 "[ . 1]" 1
643 2 44 THR HA 2 44 THR MG 3.300 . 3.300 2.166 2.159 2.173 . 0 0 "[ . 1]" 1
644 2 44 THR HA 2 45 PHE H 3.300 . 3.300 2.441 2.420 2.454 . 0 0 "[ . 1]" 1
645 2 44 THR HA 2 45 PHE HA 5.500 . 5.500 4.471 4.457 4.485 . 0 0 "[ . 1]" 1
646 2 44 THR HB 2 45 PHE H 4.200 . 4.200 3.054 2.996 3.117 . 0 0 "[ . 1]" 1
647 2 44 THR MG 2 45 PHE H 4.200 . 4.200 1.785 1.773 1.794 0.027 9 0 "[ . 1]" 1
648 2 44 THR MG 2 45 PHE HA 4.200 . 4.200 4.232 4.198 4.271 0.071 9 0 "[ . 1]" 1
649 2 45 PHE H 2 46 ASP H . . 4.200 4.143 4.002 4.244 0.044 5 0 "[ . 1]" 1
650 2 45 PHE HA 2 46 ASP H 2.800 . 2.800 2.153 2.143 2.167 . 0 0 "[ . 1]" 1
651 2 45 PHE QB 2 46 ASP H 5.500 . 5.500 3.857 3.793 3.937 . 0 0 "[ . 1]" 1
652 2 45 PHE QD 2 46 ASP H 5.500 . 5.500 2.896 2.541 3.777 . 0 0 "[ . 1]" 1
653 2 46 ASP H 2 46 ASP QB 3.300 . 3.300 2.976 2.582 3.166 . 0 0 "[ . 1]" 1
654 2 46 ASP HA 2 47 PHE H 3.300 . 3.300 2.331 2.259 2.415 . 0 0 "[ . 1]" 1
655 2 46 ASP QB 2 47 PHE H . . 4.200 2.700 2.464 3.461 . 0 0 "[ . 1]" 1
656 2 47 PHE H 2 47 PHE QD 4.200 . 4.200 2.204 1.964 2.411 . 0 0 "[ . 1]" 1
657 2 47 PHE H 2 48 ASP H 5.500 . 5.500 4.304 4.251 4.352 . 0 0 "[ . 1]" 1
658 2 47 PHE HA 2 48 ASP H 4.200 . 4.200 2.227 2.187 2.282 . 0 0 "[ . 1]" 1
659 2 47 PHE QB 2 48 ASP H 3.300 . 3.300 2.882 2.716 3.031 . 0 0 "[ . 1]" 1
660 2 47 PHE QB 2 48 ASP QB 5.500 . 5.500 4.923 4.586 5.110 . 0 0 "[ . 1]" 1
661 2 47 PHE QD 2 48 ASP H 5.500 . 5.500 4.014 3.829 4.222 . 0 0 "[ . 1]" 1
662 2 47 PHE QD 2 49 LEU MD1 . . 4.200 3.768 3.381 3.940 . 0 0 "[ . 1]" 1
663 2 47 PHE QD 2 52 LEU MD2 4.200 . 4.200 2.384 2.288 2.648 . 0 0 "[ . 1]" 1
664 2 47 PHE QE 2 49 LEU MD1 3.300 . 3.300 2.304 2.251 2.466 . 0 0 "[ . 1]" 1
665 2 47 PHE QE 2 49 LEU MD2 4.200 . 4.200 2.374 2.105 2.787 . 0 0 "[ . 1]" 1
666 2 47 PHE QE 2 52 LEU MD2 4.200 . 4.200 3.905 3.654 4.175 . 0 0 "[ . 1]" 1
667 2 47 PHE QE 2 52 LEU HG 4.200 . 4.200 4.302 4.255 4.376 0.176 9 0 "[ . 1]" 1
668 2 48 ASP H 2 48 ASP QB 3.300 . 3.300 2.772 2.182 2.950 . 0 0 "[ . 1]" 1
669 2 48 ASP H 2 49 LEU MD2 5.500 . 5.500 4.555 4.462 4.668 . 0 0 "[ . 1]" 1
670 2 48 ASP HA 2 49 LEU H 4.200 . 4.200 2.183 2.145 2.202 . 0 0 "[ . 1]" 1
671 2 48 ASP QB 2 51 SER QB . . 4.200 2.263 2.078 2.405 . 0 0 "[ . 1]" 1
672 2 49 LEU H 2 49 LEU QB 3.300 . 3.300 2.166 2.137 2.232 . 0 0 "[ . 1]" 1
673 2 49 LEU H 2 49 LEU MD1 4.200 . 4.200 3.999 3.889 4.067 . 0 0 "[ . 1]" 1
674 2 49 LEU H 2 49 LEU QD . . 4.200 2.049 1.881 2.181 . 0 0 "[ . 1]" 1
675 2 49 LEU H 2 49 LEU HG 4.200 . 4.200 3.904 3.765 4.022 . 0 0 "[ . 1]" 1
676 2 49 LEU H 2 50 CYS H 4.200 . 4.200 2.485 2.369 2.746 . 0 0 "[ . 1]" 1
677 2 49 LEU H 2 51 SER H 5.500 . 5.500 3.909 3.765 4.199 . 0 0 "[ . 1]" 1
678 2 49 LEU HA 2 49 LEU QD 2.800 . 2.800 1.951 1.942 1.970 . 0 0 "[ . 1]" 1
679 2 49 LEU HA 2 49 LEU HG 4.200 . 4.200 3.594 3.568 3.625 . 0 0 "[ . 1]" 1
680 2 49 LEU HA 2 50 CYS H 5.500 . 5.500 3.520 3.509 3.545 . 0 0 "[ . 1]" 1
681 2 49 LEU HA 2 52 LEU H 5.500 . 5.500 3.510 3.356 4.202 . 0 0 "[ . 1]" 1
682 2 49 LEU HA 2 52 LEU MD2 4.200 . 4.200 3.719 2.153 4.252 0.052 2 0 "[ . 1]" 1
683 2 49 LEU HA 2 52 LEU HG 4.200 . 4.200 2.670 2.335 3.607 . 0 0 "[ . 1]" 1
684 2 49 LEU QB 2 49 LEU QD . . 2.800 2.004 1.993 2.009 . 0 0 "[ . 1]" 1
685 2 49 LEU QB 2 50 CYS H 4.200 . 4.200 2.729 2.603 2.827 . 0 0 "[ . 1]" 1
686 2 49 LEU MD2 2 50 CYS H 4.200 . 4.200 4.004 3.860 4.097 . 0 0 "[ . 1]" 1
687 2 50 CYS H 2 50 CYS QB 3.300 . 3.300 2.179 2.070 2.281 . 0 0 "[ . 1]" 1
688 2 50 CYS H 2 51 SER H 3.300 . 3.300 2.669 2.535 2.835 . 0 0 "[ . 1]" 1
689 2 50 CYS H 2 52 LEU H 5.500 . 5.500 4.336 3.837 4.501 . 0 0 "[ . 1]" 1
690 2 50 CYS QB 2 51 SER H 4.200 . 4.200 3.532 3.287 3.822 . 0 0 "[ . 1]" 1
691 2 51 SER H 2 52 LEU H 3.300 . 3.300 2.129 1.938 2.715 . 0 0 "[ . 1]" 1
692 2 51 SER H 2 52 LEU QB 4.200 . 4.200 4.233 4.150 4.299 0.099 6 0 "[ . 1]" 1
693 2 51 SER H 2 52 LEU MD2 4.200 . 4.200 3.861 2.601 4.154 . 0 0 "[ . 1]" 1
694 2 52 LEU H 2 52 LEU QB 3.300 . 3.300 2.497 2.042 2.635 . 0 0 "[ . 1]" 1
695 2 52 LEU H 2 52 LEU MD2 3.300 . 3.300 2.723 2.366 2.936 . 0 0 "[ . 1]" 1
696 2 52 LEU H 2 52 LEU HG 4.200 . 4.200 2.376 1.840 4.259 0.059 8 0 "[ . 1]" 1
697 2 52 LEU H 2 53 ASP H 5.500 . 5.500 4.559 4.432 4.635 . 0 0 "[ . 1]" 1
698 2 52 LEU HA 2 52 LEU MD2 . . 2.800 2.124 2.080 2.247 . 0 0 "[ . 1]" 1
699 2 52 LEU HA 2 53 ASP H 2.800 . 2.800 2.215 2.138 2.398 . 0 0 "[ . 1]" 1
700 2 52 LEU QB 2 53 ASP H 4.200 . 4.200 3.022 2.423 3.415 . 0 0 "[ . 1]" 1
701 2 52 LEU QB 2 56 THR HB 5.500 . 5.500 2.499 2.301 3.406 . 0 0 "[ . 1]" 1
702 2 52 LEU MD2 2 53 ASP H 4.200 . 4.200 3.721 3.485 4.114 . 0 0 "[ . 1]" 1
703 2 52 LEU MD2 2 56 THR HB 4.200 . 4.200 3.844 3.445 4.518 0.318 3 0 "[ . 1]" 1
704 2 53 ASP H 2 56 THR H 5.500 . 5.500 3.890 3.490 4.264 . 0 0 "[ . 1]" 1
705 2 53 ASP H 2 56 THR MG 5.500 . 5.500 4.286 2.736 5.003 . 0 0 "[ . 1]" 1
706 2 53 ASP HA 2 54 LYS H 3.300 . 3.300 2.474 2.288 2.723 . 0 0 "[ . 1]" 1
707 2 53 ASP QB 2 54 LYS H 4.200 . 4.200 2.343 1.851 2.808 . 0 0 "[ . 1]" 1
708 2 53 ASP QB 2 54 LYS QD 2.800 . 2.800 2.712 2.291 2.914 0.114 8 0 "[ . 1]" 1
709 2 53 ASP QB 2 54 LYS QE 3.300 . 3.300 3.098 2.856 3.330 0.030 8 0 "[ . 1]" 1
710 2 53 ASP QB 2 55 THR H 4.200 . 4.200 2.539 2.113 2.769 . 0 0 "[ . 1]" 1
711 2 53 ASP QB 2 56 THR H 5.500 . 5.500 3.215 2.769 3.805 . 0 0 "[ . 1]" 1
712 2 54 LYS H 2 54 LYS QB 3.300 . 3.300 2.635 2.228 2.817 . 0 0 "[ . 1]" 1
713 2 54 LYS H 2 54 LYS QD 5.500 . 5.500 1.886 1.764 2.305 0.036 8 0 "[ . 1]" 1
714 2 54 LYS H 2 54 LYS QG 4.200 . 4.200 2.341 1.928 3.522 . 0 0 "[ . 1]" 1
715 2 54 LYS H 2 55 THR H 4.200 . 4.200 2.710 2.436 2.957 . 0 0 "[ . 1]" 1
716 2 54 LYS HA 2 54 LYS QD 4.200 . 4.200 3.711 3.621 3.797 . 0 0 "[ . 1]" 1
717 2 54 LYS HA 2 57 VAL H 4.200 . 4.200 3.624 3.398 3.834 . 0 0 "[ . 1]" 1
718 2 54 LYS HA 2 57 VAL HB 4.200 . 4.200 2.486 2.332 2.827 . 0 0 "[ . 1]" 1
719 2 54 LYS HA 2 57 VAL MG1 4.200 . 4.200 3.842 3.681 4.170 . 0 0 "[ . 1]" 1
720 2 54 LYS HA 2 57 VAL MG2 4.200 . 4.200 2.811 2.348 3.095 . 0 0 "[ . 1]" 1
721 2 54 LYS HA 2 58 ARG H 4.200 . 4.200 3.854 3.708 3.944 . 0 0 "[ . 1]" 1
722 2 54 LYS QB 2 54 LYS QD . . 2.800 2.270 2.124 2.780 . 0 0 "[ . 1]" 1
723 2 54 LYS QB 2 54 LYS QE 4.200 . 4.200 3.351 2.123 3.764 . 0 0 "[ . 1]" 1
724 2 54 LYS QB 2 55 THR H 4.200 . 4.200 3.083 2.517 3.688 . 0 0 "[ . 1]" 1
725 2 55 THR H 2 55 THR HB 3.300 . 3.300 2.839 2.510 3.468 0.168 4 0 "[ . 1]" 1
726 2 55 THR H 2 55 THR MG 4.200 . 4.200 3.149 1.691 3.750 0.109 10 0 "[ . 1]" 1
727 2 55 THR H 2 56 THR H 3.300 . 3.300 2.915 2.776 3.023 . 0 0 "[ . 1]" 1
728 2 55 THR HA 2 56 THR H 4.200 . 4.200 3.577 3.561 3.581 . 0 0 "[ . 1]" 1
729 2 55 THR HA 2 58 ARG H 4.200 . 4.200 3.840 3.663 4.035 . 0 0 "[ . 1]" 1
730 2 55 THR HA 2 58 ARG QB 4.200 . 4.200 2.972 2.601 3.226 . 0 0 "[ . 1]" 1
731 2 55 THR HA 2 58 ARG QG 4.200 . 4.200 3.430 3.010 3.966 . 0 0 "[ . 1]" 1
732 2 55 THR HA 2 59 LYS H 5.500 . 5.500 4.423 4.081 4.588 . 0 0 "[ . 1]" 1
733 2 55 THR HB 2 56 THR H 4.200 . 4.200 2.667 2.163 3.721 . 0 0 "[ . 1]" 1
734 2 56 THR H 2 56 THR MG 4.200 . 4.200 3.257 2.410 3.714 . 0 0 "[ . 1]" 1
735 2 56 THR HA 2 57 VAL H 4.200 . 4.200 3.572 3.556 3.588 . 0 0 "[ . 1]" 1
736 2 56 THR HA 2 59 LYS H 5.500 . 5.500 3.356 3.258 3.505 . 0 0 "[ . 1]" 1
737 2 56 THR HA 2 59 LYS QD 5.500 . 5.500 4.503 3.439 5.506 0.006 3 0 "[ . 1]" 1
738 2 56 THR HA 2 60 LEU H 4.200 . 4.200 4.083 3.785 4.286 0.086 9 0 "[ . 1]" 1
739 2 56 THR HB 2 57 VAL H 4.200 . 4.200 2.631 2.352 3.096 . 0 0 "[ . 1]" 1
740 2 56 THR MG 2 59 LYS H 5.500 . 5.500 4.718 4.334 5.135 . 0 0 "[ . 1]" 1
741 2 56 THR MG 2 60 LEU H 5.500 . 5.500 4.449 3.613 5.481 . 0 0 "[ . 1]" 1
742 2 57 VAL H 2 57 VAL HB 3.300 . 3.300 2.596 2.471 2.671 . 0 0 "[ . 1]" 1
743 2 57 VAL H 2 57 VAL MG1 4.200 . 4.200 3.752 3.745 3.759 . 0 0 "[ . 1]" 1
744 2 57 VAL H 2 57 VAL MG2 3.300 . 3.300 2.134 2.010 2.269 . 0 0 "[ . 1]" 1
745 2 57 VAL H 2 58 ARG H . . 3.300 2.874 2.721 2.985 . 0 0 "[ . 1]" 1
746 2 57 VAL H 2 58 ARG QG 5.500 . 5.500 4.862 4.510 5.810 0.310 10 0 "[ . 1]" 1
747 2 57 VAL HA 2 57 VAL MG1 3.300 . 3.300 2.293 2.261 2.350 . 0 0 "[ . 1]" 1
748 2 57 VAL HA 2 57 VAL MG2 2.800 . 2.800 2.295 2.260 2.363 . 0 0 "[ . 1]" 1
749 2 57 VAL HA 2 58 ARG H 4.200 . 4.200 3.545 3.507 3.562 . 0 0 "[ . 1]" 1
750 2 57 VAL HA 2 60 LEU H 4.200 . 4.200 3.567 3.517 3.658 . 0 0 "[ . 1]" 1
751 2 57 VAL HB 2 58 ARG H 3.300 . 3.300 2.588 2.444 2.814 . 0 0 "[ . 1]" 1
752 2 57 VAL MG1 2 58 ARG H 4.200 . 4.200 3.485 3.350 3.654 . 0 0 "[ . 1]" 1
753 2 57 VAL MG1 2 58 ARG HA 4.200 . 4.200 3.608 3.437 3.739 . 0 0 "[ . 1]" 1
754 2 57 VAL MG1 2 61 GLN H 4.200 . 4.200 3.975 3.836 4.102 . 0 0 "[ . 1]" 1
755 2 57 VAL MG1 2 61 GLN QG 4.200 . 4.200 3.196 2.770 3.907 . 0 0 "[ . 1]" 1
756 2 57 VAL MG2 2 58 ARG H 4.200 . 4.200 3.846 3.779 3.925 . 0 0 "[ . 1]" 1
757 2 58 ARG H 2 58 ARG QB 2.800 . 2.800 2.280 2.035 2.431 . 0 0 "[ . 1]" 1
758 2 58 ARG H 2 58 ARG QD 4.200 . 4.200 4.139 3.961 4.299 0.099 10 0 "[ . 1]" 1
759 2 58 ARG H 2 58 ARG QG 4.200 . 4.200 2.584 2.172 3.642 . 0 0 "[ . 1]" 1
760 2 58 ARG H 2 59 LYS H 3.300 . 3.300 2.703 2.619 2.822 . 0 0 "[ . 1]" 1
761 2 58 ARG HA 2 58 ARG QD . . 3.300 2.475 2.157 3.424 0.124 3 0 "[ . 1]" 1
762 2 58 ARG HA 2 59 LYS H 4.200 . 4.200 3.559 3.548 3.570 . 0 0 "[ . 1]" 1
763 2 58 ARG HA 2 61 GLN H 4.200 . 4.200 3.522 3.458 3.674 . 0 0 "[ . 1]" 1
764 2 58 ARG HA 2 61 GLN HA 5.500 . 5.500 5.494 5.349 5.569 0.069 1 0 "[ . 1]" 1
765 2 58 ARG QB 2 58 ARG QD 2.800 . 2.800 2.288 2.113 2.523 . 0 0 "[ . 1]" 1
766 2 59 LYS H 2 59 LYS QB 2.800 . 2.800 2.205 2.043 2.445 . 0 0 "[ . 1]" 1
767 2 59 LYS H 2 59 LYS QD 5.500 . 5.500 3.999 3.080 4.397 . 0 0 "[ . 1]" 1
768 2 59 LYS H 2 59 LYS QG 4.200 . 4.200 2.968 2.198 4.000 . 0 0 "[ . 1]" 1
769 2 59 LYS H 2 60 LEU H 3.300 . 3.300 2.678 2.620 2.818 . 0 0 "[ . 1]" 1
770 2 59 LYS H 2 60 LEU HG 4.200 . 4.200 4.260 4.196 4.361 0.161 10 0 "[ . 1]" 1
771 2 59 LYS HA 2 59 LYS QD 4.200 . 4.200 2.973 2.229 3.916 . 0 0 "[ . 1]" 1
772 2 59 LYS QB 2 60 LEU H 2.800 . 2.800 2.649 2.433 2.820 0.020 9 0 "[ . 1]" 1
773 2 59 LYS QE 2 63 TYR QE 5.500 . 5.500 4.933 4.085 5.526 0.026 10 0 "[ . 1]" 1
774 2 60 LEU H 2 60 LEU MD1 5.500 . 5.500 3.443 3.079 3.542 . 0 0 "[ . 1]" 1
775 2 60 LEU HA 2 60 LEU MD1 4.200 . 4.200 3.814 3.798 3.875 . 0 0 "[ . 1]" 1
776 2 60 LEU HA 2 61 GLN H 5.500 . 5.500 3.548 3.535 3.567 . 0 0 "[ . 1]" 1
777 2 60 LEU HA 2 63 TYR QD 4.200 . 4.200 2.484 2.328 2.884 . 0 0 "[ . 1]" 1
778 2 60 LEU HA 2 63 TYR QE 5.500 . 5.500 4.638 4.534 4.790 . 0 0 "[ . 1]" 1
779 2 60 LEU QB 2 60 LEU MD1 2.800 . 2.800 2.086 2.066 2.108 . 0 0 "[ . 1]" 1
780 2 60 LEU QB 2 63 TYR QD 5.500 . 5.500 4.499 4.387 4.793 . 0 0 "[ . 1]" 1
781 2 60 LEU MD1 2 63 TYR QD 5.500 . 5.500 5.355 5.166 5.715 0.215 5 0 "[ . 1]" 1
782 2 61 GLN H 2 61 GLN QG 3.300 . 3.300 2.885 2.473 3.280 . 0 0 "[ . 1]" 1
783 2 61 GLN H 2 62 SER H 3.300 . 3.300 2.722 2.684 2.756 . 0 0 "[ . 1]" 1
784 2 61 GLN H 2 64 LEU H 5.500 . 5.500 5.111 5.021 5.202 . 0 0 "[ . 1]" 1
785 2 61 GLN HA 2 64 LEU H 4.200 . 4.200 3.811 3.664 3.927 . 0 0 "[ . 1]" 1
786 2 61 GLN HA 2 64 LEU HG 5.500 . 5.500 4.815 4.662 5.161 . 0 0 "[ . 1]" 1
787 2 62 SER HA 2 65 GLU H 4.200 . 4.200 3.301 3.178 3.447 . 0 0 "[ . 1]" 1
788 2 62 SER HA 2 65 GLU QB 4.200 . 4.200 2.423 2.304 2.671 . 0 0 "[ . 1]" 1
789 2 62 SER HA 2 65 GLU QG 4.200 . 4.200 3.443 2.713 4.203 0.003 2 0 "[ . 1]" 1
790 2 63 TYR H 2 63 TYR QB 3.300 . 3.300 2.145 2.120 2.173 . 0 0 "[ . 1]" 1
791 2 63 TYR H 2 63 TYR QD 4.200 . 4.200 3.073 2.621 3.271 . 0 0 "[ . 1]" 1
792 2 63 TYR H 2 63 TYR QE 5.500 . 5.500 5.015 4.821 5.128 . 0 0 "[ . 1]" 1
793 2 63 TYR H 2 64 LEU H 3.300 . 3.300 2.872 2.756 2.954 . 0 0 "[ . 1]" 1
794 2 63 TYR HA 2 63 TYR QD . . 3.300 2.496 2.353 2.954 . 0 0 "[ . 1]" 1
795 2 63 TYR HA 2 63 TYR QE 5.500 . 5.500 4.212 4.159 4.356 . 0 0 "[ . 1]" 1
796 2 63 TYR HA 2 64 LEU H 5.500 . 5.500 3.559 3.535 3.569 . 0 0 "[ . 1]" 1
797 2 63 TYR QB 2 64 LEU H 4.200 . 4.200 2.579 2.513 2.720 . 0 0 "[ . 1]" 1
798 2 63 TYR QB 2 64 LEU MD1 4.200 . 4.200 3.746 3.657 3.829 . 0 0 "[ . 1]" 1
799 2 63 TYR QD 2 64 LEU MD1 5.500 . 5.500 5.424 5.359 5.494 . 0 0 "[ . 1]" 1
800 2 64 LEU H 2 64 LEU QB 2.800 . 2.800 2.342 2.289 2.392 . 0 0 "[ . 1]" 1
801 2 64 LEU H 2 64 LEU MD1 3.300 . 3.300 2.751 2.537 2.866 . 0 0 "[ . 1]" 1
802 2 64 LEU H 2 64 LEU HG 4.200 . 4.200 2.549 2.384 2.723 . 0 0 "[ . 1]" 1
803 2 64 LEU HA 2 64 LEU MD2 2.800 . 2.800 2.572 2.464 2.715 . 0 0 "[ . 1]" 1
804 2 64 LEU HA 2 64 LEU HG . . 3.300 2.384 2.312 2.494 . 0 0 "[ . 1]" 1
805 2 64 LEU HA 2 65 GLU H 4.200 . 4.200 3.549 3.513 3.567 . 0 0 "[ . 1]" 1
806 2 64 LEU QB 2 64 LEU MD1 2.800 . 2.800 2.082 2.077 2.087 . 0 0 "[ . 1]" 1
807 2 64 LEU QB 2 65 GLU H 3.300 . 3.300 2.546 2.454 2.722 . 0 0 "[ . 1]" 1
808 2 64 LEU MD1 2 65 GLU H 4.200 . 4.200 4.165 4.044 4.241 0.041 2 0 "[ . 1]" 1
809 2 65 GLU H 2 65 GLU HA 2.800 . 2.800 2.826 2.746 2.888 0.088 6 0 "[ . 1]" 1
810 2 65 GLU H 2 65 GLU QB 2.800 . 2.800 2.290 2.049 2.405 . 0 0 "[ . 1]" 1
811 2 65 GLU H 2 65 GLU QG 3.300 . 3.300 2.618 2.325 3.350 0.050 9 0 "[ . 1]" 1
812 2 65 GLU H 2 66 THR H 3.300 . 3.300 2.941 2.527 3.368 0.068 10 0 "[ . 1]" 1
813 2 65 GLU H 2 66 THR MG . . 4.200 4.126 3.795 4.250 0.050 7 0 "[ . 1]" 1
814 2 65 GLU HA 2 65 GLU QB 2.800 . 2.800 2.436 2.372 2.540 . 0 0 "[ . 1]" 1
815 2 65 GLU HA 2 66 THR H 4.200 . 4.200 3.494 3.275 3.576 . 0 0 "[ . 1]" 1
816 2 65 GLU QB 2 66 THR H 3.300 . 3.300 2.359 1.829 3.371 0.071 2 0 "[ . 1]" 1
817 2 66 THR H 2 66 THR HB 3.300 . 3.300 2.833 2.439 3.562 0.262 9 0 "[ . 1]" 1
818 2 66 THR H 2 66 THR MG 3.300 . 3.300 2.114 1.857 2.968 . 0 0 "[ . 1]" 1
819 2 66 THR HA 2 66 THR MG 3.300 . 3.300 3.096 2.354 3.201 . 0 0 "[ . 1]" 1
820 2 66 THR MG 2 67 SER H 5.500 . 5.500 3.682 2.024 4.281 . 0 0 "[ . 1]" 1
821 2 67 SER H 2 67 SER QB 3.300 . 3.300 2.749 2.124 3.278 . 0 0 "[ . 1]" 1
822 2 67 SER HA 2 67 SER QB 2.800 . 2.800 2.346 2.161 2.539 . 0 0 "[ . 1]" 1
823 2 67 SER HA 2 68 GLY H 3.300 . 3.300 2.602 2.152 3.356 0.056 3 0 "[ . 1]" 1
824 2 68 GLY H 2 68 GLY QA 2.800 . 2.800 2.308 2.196 2.497 . 0 0 "[ . 1]" 1
825 2 68 GLY H 2 69 THR H 4.200 . 4.200 3.584 2.300 4.223 0.023 4 0 "[ . 1]" 1
826 2 68 GLY QA 2 69 THR H 3.300 . 3.300 2.288 2.157 2.635 . 0 0 "[ . 1]" 1
827 2 69 THR HA 2 70 SER H 2.800 . 2.800 2.349 2.144 2.754 . 0 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 8:11:23 PM GMT (wattos1)