NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
433286 |
2jub   |
15438 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jub
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 1066
_Distance_constraint_stats_list.Viol_count 1489
_Distance_constraint_stats_list.Viol_total 2294.908
_Distance_constraint_stats_list.Viol_max 0.365
_Distance_constraint_stats_list.Viol_rms 0.0259
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0771
_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 ALA 0.651 0.255 20 0 "[ . 1 . 2]"
1 2 THR 2.236 0.234 13 0 "[ . 1 . 2]"
1 3 LEU 2.737 0.255 20 0 "[ . 1 . 2]"
1 4 THR 1.544 0.176 9 0 "[ . 1 . 2]"
1 5 SER 1.521 0.234 13 0 "[ . 1 . 2]"
1 6 GLU 0.366 0.105 2 0 "[ . 1 . 2]"
1 7 VAL 6.166 0.240 1 0 "[ . 1 . 2]"
1 8 ILE 8.060 0.240 1 0 "[ . 1 . 2]"
1 9 LYS 1.267 0.171 16 0 "[ . 1 . 2]"
1 10 ALA 2.943 0.190 15 0 "[ . 1 . 2]"
1 11 ASN 0.754 0.165 8 0 "[ . 1 . 2]"
1 12 LYS 2.208 0.193 20 0 "[ . 1 . 2]"
1 13 GLY 2.214 0.260 14 0 "[ . 1 . 2]"
1 14 ARG 1.931 0.193 20 0 "[ . 1 . 2]"
1 15 GLU 4.380 0.320 8 0 "[ . 1 . 2]"
1 16 GLY 2.884 0.320 8 0 "[ . 1 . 2]"
1 17 LYS 2.897 0.281 5 0 "[ . 1 . 2]"
1 18 PRO 0.434 0.085 4 0 "[ . 1 . 2]"
1 19 MET 4.226 0.174 17 0 "[ . 1 . 2]"
1 20 ILE 3.884 0.190 15 0 "[ . 1 . 2]"
1 21 SER 1.384 0.100 16 0 "[ . 1 . 2]"
1 22 LEU 2.211 0.123 19 0 "[ . 1 . 2]"
1 23 VAL 3.288 0.169 19 0 "[ . 1 . 2]"
1 24 ASP 0.564 0.141 4 0 "[ . 1 . 2]"
1 25 GLY 1.716 0.118 1 0 "[ . 1 . 2]"
1 26 GLU 1.587 0.141 4 0 "[ . 1 . 2]"
1 27 GLU 0.406 0.128 8 0 "[ . 1 . 2]"
1 28 ILE 3.274 0.234 15 0 "[ . 1 . 2]"
1 29 LYS 1.405 0.172 15 0 "[ . 1 . 2]"
1 30 GLY 2.497 0.155 8 0 "[ . 1 . 2]"
1 31 THR 6.687 0.234 15 0 "[ . 1 . 2]"
1 32 VAL 10.971 0.310 7 0 "[ . 1 . 2]"
1 33 TYR 3.591 0.281 5 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASP 1.275 0.179 12 0 "[ . 1 . 2]"
1 37 GLY 4.532 0.252 14 0 "[ . 1 . 2]"
1 38 TRP 1.373 0.179 12 0 "[ . 1 . 2]"
1 39 SER 2.206 0.252 14 0 "[ . 1 . 2]"
1 40 ALA 0.013 0.013 4 0 "[ . 1 . 2]"
1 41 LYS 1.939 0.192 9 0 "[ . 1 . 2]"
1 42 LYS 2.448 0.185 12 0 "[ . 1 . 2]"
1 43 ASP 2.209 0.208 12 0 "[ . 1 . 2]"
1 44 GLY 0.179 0.078 4 0 "[ . 1 . 2]"
1 45 ALA 0.117 0.065 15 0 "[ . 1 . 2]"
1 46 THR 7.430 0.261 15 0 "[ . 1 . 2]"
1 47 ILE 7.989 0.247 5 0 "[ . 1 . 2]"
1 48 VAL 4.720 0.192 9 0 "[ . 1 . 2]"
1 49 ILE 2.439 0.206 10 0 "[ . 1 . 2]"
1 50 SER 9.867 0.365 11 0 "[ . 1 . 2]"
1 51 PRO 1.109 0.140 15 0 "[ . 1 . 2]"
1 52 ALA 1.042 0.176 9 0 "[ . 1 . 2]"
1 53 GLU 9.740 0.365 11 0 "[ . 1 . 2]"
1 54 GLU 2.724 0.158 14 0 "[ . 1 . 2]"
1 55 THR 4.491 0.273 11 0 "[ . 1 . 2]"
1 56 ALA 3.101 0.247 11 0 "[ . 1 . 2]"
1 57 LEU 5.295 0.247 11 0 "[ . 1 . 2]"
1 58 PHE 1.314 0.273 11 0 "[ . 1 . 2]"
1 59 LYS 1.994 0.158 14 0 "[ . 1 . 2]"
1 60 ALA 1.671 0.145 20 0 "[ . 1 . 2]"
1 61 LYS 2.362 0.206 10 0 "[ . 1 . 2]"
1 62 HIS 1.819 0.157 19 0 "[ . 1 . 2]"
1 63 ILE 8.198 0.247 5 0 "[ . 1 . 2]"
1 64 SER 0.193 0.098 1 0 "[ . 1 . 2]"
1 65 ALA 5.877 0.261 15 0 "[ . 1 . 2]"
1 66 ALA 0.199 0.096 1 0 "[ . 1 . 2]"
1 67 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 7.559 0.191 17 0 "[ . 1 . 2]"
1 69 LYS 1.411 0.167 5 0 "[ . 1 . 2]"
1 70 ILE 7.335 0.220 20 0 "[ . 1 . 2]"
1 71 ILE 1.988 0.191 17 0 "[ . 1 . 2]"
1 72 ALA 3.276 0.247 2 0 "[ . 1 . 2]"
1 73 LYS 2.899 0.220 20 0 "[ . 1 . 2]"
1 74 ASN 0.550 0.159 2 0 "[ . 1 . 2]"
1 75 LEU 9.285 0.310 7 0 "[ . 1 . 2]"
1 76 LEU 1.113 0.172 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR H 1 2 THR MG 1.800 . 5.000 2.901 2.062 3.825 . 0 0 "[ . 1 . 2]" 1
2 1 3 LEU H 1 3 LEU QB 1.800 . 5.000 2.248 2.209 2.287 . 0 0 "[ . 1 . 2]" 1
3 1 3 LEU H 1 3 LEU HG 1.800 . 6.000 4.467 4.436 4.500 . 0 0 "[ . 1 . 2]" 1
4 1 3 LEU H 1 3 LEU MD1 1.800 . 6.000 4.201 3.985 4.377 . 0 0 "[ . 1 . 2]" 1
5 1 3 LEU H 1 3 LEU MD2 1.800 . 6.000 4.199 4.013 4.340 . 0 0 "[ . 1 . 2]" 1
6 1 4 THR H 1 4 THR MG 1.800 . 6.000 3.635 2.221 3.827 . 0 0 "[ . 1 . 2]" 1
7 1 6 GLU H 1 6 GLU QG 1.800 . 5.000 2.883 2.000 4.096 . 0 0 "[ . 1 . 2]" 1
8 1 7 VAL H 1 7 VAL MG1 1.800 . 6.000 3.786 3.753 3.812 . 0 0 "[ . 1 . 2]" 1
9 1 7 VAL H 1 7 VAL MG2 1.800 . 5.000 2.098 1.919 2.247 . 0 0 "[ . 1 . 2]" 1
10 1 8 ILE H 1 8 ILE MG 1.800 . 6.000 3.691 3.558 3.775 . 0 0 "[ . 1 . 2]" 1
11 1 8 ILE H 1 8 ILE QG 1.800 . 6.000 3.157 2.032 3.589 . 0 0 "[ . 1 . 2]" 1
12 1 8 ILE H 1 8 ILE MD 1.800 . 6.000 2.173 1.731 3.614 0.069 10 0 "[ . 1 . 2]" 1
13 1 9 LYS H 1 9 LYS QG 1.800 . 6.000 3.126 2.126 4.074 . 0 0 "[ . 1 . 2]" 1
14 1 9 LYS H 1 9 LYS QD 1.800 . 6.000 4.076 3.510 4.803 . 0 0 "[ . 1 . 2]" 1
15 1 10 ALA H 1 10 ALA MB 1.800 . 6.000 2.225 2.155 2.269 . 0 0 "[ . 1 . 2]" 1
16 1 12 LYS H 1 12 LYS QG 1.800 . 6.000 3.470 2.364 4.281 . 0 0 "[ . 1 . 2]" 1
17 1 12 LYS H 1 12 LYS QD 1.800 . 6.000 4.397 2.250 5.211 . 0 0 "[ . 1 . 2]" 1
18 1 12 LYS H 1 12 LYS QE 1.800 . 6.000 5.173 3.381 6.087 0.087 18 0 "[ . 1 . 2]" 1
19 1 14 ARG H 1 14 ARG QD 1.800 . 6.000 4.074 2.076 5.201 . 0 0 "[ . 1 . 2]" 1
20 1 17 LYS H 1 17 LYS QG 1.800 . 6.000 3.621 2.387 4.260 . 0 0 "[ . 1 . 2]" 1
21 1 17 LYS H 1 17 LYS QD 1.800 . 6.000 4.767 2.365 5.437 . 0 0 "[ . 1 . 2]" 1
22 1 20 ILE H 1 20 ILE QG 1.800 . 6.000 2.623 2.548 2.741 . 0 0 "[ . 1 . 2]" 1
23 1 20 ILE H 1 20 ILE MD 1.800 . 6.000 3.867 3.601 4.116 . 0 0 "[ . 1 . 2]" 1
24 1 22 LEU H 1 22 LEU QB 1.800 . 6.000 2.879 2.743 2.986 . 0 0 "[ . 1 . 2]" 1
25 1 22 LEU H 1 22 LEU HG 1.800 . 6.000 2.563 1.741 3.489 0.059 10 0 "[ . 1 . 2]" 1
26 1 23 VAL H 1 23 VAL MG2 1.800 . 5.000 2.100 1.871 2.248 . 0 0 "[ . 1 . 2]" 1
27 1 26 GLU H 1 26 GLU QG 1.800 . 6.000 3.266 1.865 4.204 . 0 0 "[ . 1 . 2]" 1
28 1 27 GLU H 1 27 GLU QG 1.800 . 6.000 2.953 1.785 4.099 0.015 15 0 "[ . 1 . 2]" 1
29 1 28 ILE H 1 28 ILE QG 1.800 . 6.000 2.573 2.379 3.065 . 0 0 "[ . 1 . 2]" 1
30 1 29 LYS H 1 29 LYS QG 1.800 . 6.000 2.693 1.758 4.209 0.042 3 0 "[ . 1 . 2]" 1
31 1 31 THR H 1 31 THR MG 1.800 . 6.000 3.550 3.202 3.941 . 0 0 "[ . 1 . 2]" 1
32 1 32 VAL H 1 32 VAL QG 1.800 . 6.000 1.939 1.746 2.379 0.054 6 0 "[ . 1 . 2]" 1
33 1 34 LEU H 1 34 LEU QB 1.800 . 6.000 2.327 2.208 2.639 . 0 0 "[ . 1 . 2]" 1
34 1 34 LEU H 1 34 LEU HG 1.800 . 6.000 4.419 2.248 4.734 . 0 0 "[ . 1 . 2]" 1
35 1 34 LEU H 1 34 LEU MD1 1.800 . 6.000 4.191 3.664 4.453 . 0 0 "[ . 1 . 2]" 1
36 1 38 TRP HA 1 39 SER H 1.800 . 4.200 2.236 2.155 2.339 . 0 0 "[ . 1 . 2]" 1
37 1 40 ALA H 1 40 ALA MB 1.800 . 6.000 2.702 2.541 2.853 . 0 0 "[ . 1 . 2]" 1
38 1 41 LYS H 1 41 LYS QG 1.800 . 6.000 2.860 2.230 4.094 . 0 0 "[ . 1 . 2]" 1
39 1 42 LYS H 1 42 LYS QG 1.800 . 6.000 2.508 2.221 3.797 . 0 0 "[ . 1 . 2]" 1
40 1 45 ALA H 1 45 ALA MB 1.800 . 6.000 2.592 2.221 3.064 . 0 0 "[ . 1 . 2]" 1
41 1 46 THR H 1 46 THR MG 1.800 . 6.000 3.926 3.849 4.036 . 0 0 "[ . 1 . 2]" 1
42 1 47 ILE H 1 47 ILE QG 1.800 . 6.000 2.087 1.812 2.467 . 0 0 "[ . 1 . 2]" 1
43 1 47 ILE H 1 47 ILE MD 1.800 . 6.000 2.824 2.516 3.540 . 0 0 "[ . 1 . 2]" 1
44 1 48 VAL H 1 48 VAL QG 1.800 . 6.000 2.437 2.107 2.640 . 0 0 "[ . 1 . 2]" 1
45 1 49 ILE H 1 49 ILE QG 1.800 . 6.000 2.370 2.059 2.852 . 0 0 "[ . 1 . 2]" 1
46 1 49 ILE H 1 49 ILE MD 1.800 . 6.000 3.764 3.520 4.074 . 0 0 "[ . 1 . 2]" 1
47 1 52 ALA H 1 52 ALA MB 1.800 . 6.000 2.338 2.220 2.407 . 0 0 "[ . 1 . 2]" 1
48 1 53 GLU H 1 53 GLU QG 1.800 . 6.000 3.442 2.464 4.430 . 0 0 "[ . 1 . 2]" 1
49 1 54 GLU H 1 54 GLU QG 1.800 . 6.000 4.165 3.512 4.459 . 0 0 "[ . 1 . 2]" 1
50 1 55 THR H 1 55 THR MG 1.800 . 6.000 2.357 1.923 2.813 . 0 0 "[ . 1 . 2]" 1
51 1 56 ALA H 1 56 ALA MB 1.800 . 6.000 2.678 2.239 2.989 . 0 0 "[ . 1 . 2]" 1
52 1 57 LEU H 1 57 LEU QB 1.800 . 6.000 2.505 2.241 2.837 . 0 0 "[ . 1 . 2]" 1
53 1 57 LEU H 1 57 LEU HG 1.800 . 6.000 2.849 1.785 4.168 0.015 8 0 "[ . 1 . 2]" 1
54 1 57 LEU H 1 57 LEU MD2 1.800 . 6.000 2.812 1.718 3.837 0.082 19 0 "[ . 1 . 2]" 1
55 1 57 LEU H 1 57 LEU MD1 1.800 . 6.000 3.098 1.869 4.064 . 0 0 "[ . 1 . 2]" 1
56 1 59 LYS H 1 59 LYS QG 1.800 . 6.000 2.331 1.828 4.171 . 0 0 "[ . 1 . 2]" 1
57 1 59 LYS H 1 59 LYS QD 1.800 . 6.000 3.487 1.762 5.173 0.038 2 0 "[ . 1 . 2]" 1
58 1 60 ALA H 1 60 ALA MB 1.800 . 5.000 2.243 2.048 2.327 . 0 0 "[ . 1 . 2]" 1
59 1 61 LYS H 1 61 LYS QD 1.800 . 6.000 4.852 4.725 5.226 . 0 0 "[ . 1 . 2]" 1
60 1 63 ILE H 1 63 ILE QG 1.800 . 6.000 3.008 1.917 3.398 . 0 0 "[ . 1 . 2]" 1
61 1 63 ILE H 1 63 ILE MD 1.800 . 6.000 4.506 3.621 4.982 . 0 0 "[ . 1 . 2]" 1
62 1 65 ALA H 1 65 ALA MB 1.800 . 6.000 2.198 2.088 2.255 . 0 0 "[ . 1 . 2]" 1
63 1 66 ALA H 1 66 ALA MB 1.800 . 6.000 2.247 2.211 2.268 . 0 0 "[ . 1 . 2]" 1
64 1 68 LEU H 1 68 LEU QB 1.800 . 6.000 2.215 2.133 2.260 . 0 0 "[ . 1 . 2]" 1
65 1 68 LEU H 1 68 LEU HG 1.800 . 6.000 4.483 4.140 4.644 . 0 0 "[ . 1 . 2]" 1
66 1 68 LEU H 1 68 LEU MD1 1.800 . 6.000 4.210 3.975 4.299 . 0 0 "[ . 1 . 2]" 1
67 1 68 LEU H 1 68 LEU MD2 1.800 . 6.000 4.066 3.882 4.237 . 0 0 "[ . 1 . 2]" 1
68 1 69 LYS H 1 69 LYS QG 1.800 . 6.000 2.560 1.896 4.084 . 0 0 "[ . 1 . 2]" 1
69 1 69 LYS H 1 69 LYS QD 1.800 . 6.000 3.513 1.739 4.573 0.061 17 0 "[ . 1 . 2]" 1
70 1 70 ILE H 1 70 ILE QG 1.800 . 6.000 2.383 2.205 2.840 . 0 0 "[ . 1 . 2]" 1
71 1 70 ILE H 1 70 ILE MD 1.800 . 6.000 3.612 3.465 4.352 . 0 0 "[ . 1 . 2]" 1
72 1 71 ILE H 1 71 ILE QG 1.800 . 6.000 2.423 2.010 3.139 . 0 0 "[ . 1 . 2]" 1
73 1 71 ILE H 1 71 ILE MD 1.800 . 6.000 3.117 1.769 3.577 0.031 5 0 "[ . 1 . 2]" 1
74 1 72 ALA H 1 72 ALA MB 1.800 . 6.000 2.239 2.196 2.268 . 0 0 "[ . 1 . 2]" 1
75 1 73 LYS H 1 73 LYS QG 1.800 . 6.000 2.481 1.806 3.949 . 0 0 "[ . 1 . 2]" 1
76 1 73 LYS H 1 73 LYS QD 1.800 . 6.000 3.946 3.636 4.413 . 0 0 "[ . 1 . 2]" 1
77 1 75 LEU H 1 75 LEU QB 1.800 . 6.000 2.351 2.254 2.586 . 0 0 "[ . 1 . 2]" 1
78 1 75 LEU H 1 75 LEU HG 1.800 . 6.000 3.688 3.418 3.952 . 0 0 "[ . 1 . 2]" 1
79 1 75 LEU H 1 75 LEU MD2 1.800 . 6.000 3.162 1.769 3.863 0.031 13 0 "[ . 1 . 2]" 1
80 1 76 LEU H 1 76 LEU QB 1.800 . 6.000 2.824 2.272 3.366 . 0 0 "[ . 1 . 2]" 1
81 1 76 LEU H 1 76 LEU HG 1.800 . 6.000 2.843 1.808 4.454 . 0 0 "[ . 1 . 2]" 1
82 1 76 LEU H 1 76 LEU MD2 1.800 . 6.000 2.698 1.775 4.367 0.025 17 0 "[ . 1 . 2]" 1
83 1 1 ALA MB 1 2 THR HA 1.800 . 5.000 4.274 3.680 4.696 . 0 0 "[ . 1 . 2]" 1
84 1 1 ALA HA 1 2 THR H 1.800 . 4.200 2.703 2.160 3.572 . 0 0 "[ . 1 . 2]" 1
85 1 1 ALA MB 1 2 THR H 1.800 . 4.200 2.817 1.763 3.664 0.037 5 0 "[ . 1 . 2]" 1
86 1 1 ALA HA 1 2 THR MG 1.800 . 4.200 3.856 2.986 4.270 0.070 19 0 "[ . 1 . 2]" 1
87 1 1 ALA MB 1 2 THR MG 1.800 . 6.000 4.016 2.415 4.704 . 0 0 "[ . 1 . 2]" 1
88 1 2 THR MG 1 3 LEU QB 1.800 . 6.000 4.985 3.087 5.519 . 0 0 "[ . 1 . 2]" 1
89 1 2 THR H 1 3 LEU H 1.800 . 4.200 2.822 2.033 4.427 0.227 18 0 "[ . 1 . 2]" 1
90 1 2 THR HA 1 3 LEU H 1.800 . 4.200 3.260 2.209 3.590 . 0 0 "[ . 1 . 2]" 1
91 1 2 THR HB 1 3 LEU H 1.800 . 4.200 3.489 2.162 4.258 0.058 1 0 "[ . 1 . 2]" 1
92 1 2 THR MG 1 3 LEU H 1.800 . 4.200 3.709 1.751 4.203 0.049 2 0 "[ . 1 . 2]" 1
93 1 3 LEU H 1 4 THR H 1.800 . 4.200 2.670 2.562 2.753 . 0 0 "[ . 1 . 2]" 1
94 1 3 LEU QB 1 4 THR H 1.800 . 4.200 2.353 2.091 2.567 . 0 0 "[ . 1 . 2]" 1
95 1 3 LEU HA 1 4 THR H 1.800 . 5.000 3.521 3.469 3.548 . 0 0 "[ . 1 . 2]" 1
96 1 4 THR MG 1 5 SER HA 1.800 . 5.000 3.428 2.973 3.663 . 0 0 "[ . 1 . 2]" 1
97 1 4 THR MG 1 5 SER QB 1.800 . 5.000 4.095 2.803 4.807 . 0 0 "[ . 1 . 2]" 1
98 1 4 THR H 1 5 SER H 1.800 . 4.200 2.804 2.519 2.982 . 0 0 "[ . 1 . 2]" 1
99 1 4 THR HA 1 5 SER H 1.800 . 5.000 3.591 3.551 3.613 . 0 0 "[ . 1 . 2]" 1
100 1 4 THR HB 1 5 SER H 1.800 . 4.200 2.481 2.177 3.740 . 0 0 "[ . 1 . 2]" 1
101 1 4 THR MG 1 5 SER H 1.800 . 4.200 3.187 1.762 3.504 0.038 5 0 "[ . 1 . 2]" 1
102 1 5 SER H 1 6 GLU H 1.800 . 4.200 2.844 2.713 2.984 . 0 0 "[ . 1 . 2]" 1
103 1 5 SER HA 1 6 GLU H 1.800 . 5.000 3.598 3.549 3.642 . 0 0 "[ . 1 . 2]" 1
104 1 5 SER QB 1 6 GLU H 1.800 . 5.000 2.623 2.192 3.336 . 0 0 "[ . 1 . 2]" 1
105 1 6 GLU H 1 7 VAL H 1.800 . 4.200 2.853 2.728 2.988 . 0 0 "[ . 1 . 2]" 1
106 1 6 GLU HA 1 7 VAL H 1.800 . 5.000 3.594 3.572 3.615 . 0 0 "[ . 1 . 2]" 1
107 1 6 GLU QB 1 7 VAL H 1.800 . 4.200 2.548 2.385 2.686 . 0 0 "[ . 1 . 2]" 1
108 1 6 GLU QG 1 7 VAL H 1.800 . 6.000 4.029 3.567 4.256 . 0 0 "[ . 1 . 2]" 1
109 1 6 GLU HA 1 7 VAL MG2 1.800 . 6.000 4.904 4.784 4.987 . 0 0 "[ . 1 . 2]" 1
110 1 6 GLU QB 1 7 VAL MG2 1.800 . 6.000 3.030 2.858 3.180 . 0 0 "[ . 1 . 2]" 1
111 1 6 GLU QG 1 7 VAL MG2 1.800 . 6.000 4.467 3.595 4.963 . 0 0 "[ . 1 . 2]" 1
112 1 7 VAL H 1 8 ILE MD 1.800 . 6.000 4.085 3.508 5.598 . 0 0 "[ . 1 . 2]" 1
113 1 7 VAL H 1 8 ILE MG 1.800 . 6.000 5.842 5.540 6.044 0.044 2 0 "[ . 1 . 2]" 1
114 1 7 VAL H 1 8 ILE QG 1.800 . 6.000 5.429 4.175 5.892 . 0 0 "[ . 1 . 2]" 1
115 1 7 VAL MG1 1 8 ILE MG 1.800 . 6.000 4.979 4.798 5.180 . 0 0 "[ . 1 . 2]" 1
116 1 7 VAL MG1 1 8 ILE QG 1.800 . 6.000 4.185 3.385 4.670 . 0 0 "[ . 1 . 2]" 1
117 1 7 VAL MG1 1 8 ILE HB 1.800 . 6.000 4.929 4.671 5.258 . 0 0 "[ . 1 . 2]" 1
118 1 7 VAL MG2 1 8 ILE MG 1.800 . 6.000 6.171 6.049 6.240 0.240 1 0 "[ . 1 . 2]" 1
119 1 7 VAL H 1 8 ILE H 1.800 . 4.200 2.774 2.672 2.892 . 0 0 "[ . 1 . 2]" 1
120 1 7 VAL HA 1 8 ILE H 1.800 . 5.000 3.575 3.552 3.593 . 0 0 "[ . 1 . 2]" 1
121 1 7 VAL MG2 1 8 ILE H 1.800 . 5.000 3.835 3.726 3.909 . 0 0 "[ . 1 . 2]" 1
122 1 7 VAL MG2 1 8 ILE MD 1.800 . 6.000 4.062 3.601 5.286 . 0 0 "[ . 1 . 2]" 1
123 1 7 VAL MG1 1 8 ILE MD 1.800 . 6.000 2.736 2.235 4.750 . 0 0 "[ . 1 . 2]" 1
124 1 8 ILE H 1 9 LYS H 1.800 . 4.200 2.826 2.750 2.932 . 0 0 "[ . 1 . 2]" 1
125 1 8 ILE HA 1 9 LYS H 1.800 . 5.000 3.575 3.544 3.593 . 0 0 "[ . 1 . 2]" 1
126 1 8 ILE HB 1 9 LYS H 1.800 . 4.200 2.682 2.376 2.899 . 0 0 "[ . 1 . 2]" 1
127 1 8 ILE MG 1 9 LYS H 1.800 . 5.000 2.938 2.491 3.428 . 0 0 "[ . 1 . 2]" 1
128 1 8 ILE MD 1 9 LYS H 1.800 . 5.000 4.181 3.947 4.775 . 0 0 "[ . 1 . 2]" 1
129 1 8 ILE HA 1 9 LYS QB 1.800 . 6.000 5.340 5.200 5.479 . 0 0 "[ . 1 . 2]" 1
130 1 8 ILE HB 1 9 LYS QB 1.800 . 5.000 4.543 3.911 5.015 0.015 6 0 "[ . 1 . 2]" 1
131 1 8 ILE MG 1 9 LYS QE 1.800 . 6.000 5.271 3.886 6.149 0.149 13 0 "[ . 1 . 2]" 1
132 1 8 ILE MG 1 9 LYS QD 1.800 . 6.000 4.717 2.979 6.045 0.045 17 0 "[ . 1 . 2]" 1
133 1 8 ILE MG 1 9 LYS QB 1.800 . 6.000 4.020 3.231 4.734 . 0 0 "[ . 1 . 2]" 1
134 1 8 ILE MG 1 9 LYS HA 1.800 . 6.000 3.147 2.970 3.429 . 0 0 "[ . 1 . 2]" 1
135 1 9 LYS H 1 10 ALA MB 1.800 . 5.000 4.462 4.250 4.583 . 0 0 "[ . 1 . 2]" 1
136 1 9 LYS H 1 10 ALA H 1.800 . 4.200 2.800 2.586 2.937 . 0 0 "[ . 1 . 2]" 1
137 1 9 LYS HA 1 10 ALA H 1.800 . 5.000 3.569 3.514 3.595 . 0 0 "[ . 1 . 2]" 1
138 1 9 LYS QB 1 10 ALA H 1.800 . 4.200 2.594 2.445 2.776 . 0 0 "[ . 1 . 2]" 1
139 1 9 LYS QG 1 10 ALA H 1.800 . 5.000 3.917 3.553 4.242 . 0 0 "[ . 1 . 2]" 1
140 1 9 LYS HA 1 10 ALA MB 1.800 . 6.000 5.048 5.021 5.077 . 0 0 "[ . 1 . 2]" 1
141 1 10 ALA H 1 11 ASN QD 1.800 . 6.000 5.508 4.362 6.145 0.145 12 0 "[ . 1 . 2]" 1
142 1 10 ALA H 1 11 ASN H 1.800 . 4.200 2.757 2.538 2.983 . 0 0 "[ . 1 . 2]" 1
143 1 10 ALA HA 1 11 ASN H 1.800 . 4.200 3.543 3.449 3.610 . 0 0 "[ . 1 . 2]" 1
144 1 10 ALA MB 1 11 ASN H 1.800 . 4.200 2.663 2.318 2.998 . 0 0 "[ . 1 . 2]" 1
145 1 11 ASN H 1 12 LYS H 1.800 . 5.000 3.651 2.290 4.364 . 0 0 "[ . 1 . 2]" 1
146 1 12 LYS H 1 13 GLY H 1.800 . 6.000 3.763 2.552 4.631 . 0 0 "[ . 1 . 2]" 1
147 1 11 ASN HA 1 12 LYS H 1.800 . 6.000 2.741 2.156 3.589 . 0 0 "[ . 1 . 2]" 1
148 1 11 ASN QB 1 12 LYS H 1.800 . 6.000 3.082 1.737 4.069 0.063 5 0 "[ . 1 . 2]" 1
149 1 11 ASN QD 1 12 LYS H 1.800 . 4.200 3.859 3.190 4.365 0.165 8 0 "[ . 1 . 2]" 1
150 1 13 GLY H 1 14 ARG H 1.800 . 6.000 2.489 1.672 3.358 0.128 6 0 "[ . 1 . 2]" 1
151 1 12 LYS HA 1 13 GLY H 1.800 . 2.900 2.498 2.156 2.956 0.056 20 0 "[ . 1 . 2]" 1
152 1 12 LYS QB 1 13 GLY H 1.800 . 4.200 3.520 2.183 4.088 . 0 0 "[ . 1 . 2]" 1
153 1 12 LYS QG 1 13 GLY H 1.800 . 5.000 3.715 1.779 4.933 0.021 3 0 "[ . 1 . 2]" 1
154 1 14 ARG H 1 15 GLU H 1.800 . 5.000 4.002 2.506 4.666 . 0 0 "[ . 1 . 2]" 1
155 1 13 GLY QA 1 14 ARG H 1.800 . 5.000 2.756 2.520 2.951 . 0 0 "[ . 1 . 2]" 1
156 1 14 ARG H 1 15 GLU QB 1.800 . 6.000 5.463 3.888 6.154 0.154 14 0 "[ . 1 . 2]" 1
157 1 14 ARG H 1 15 GLU HA 1.800 . 6.000 5.443 4.105 6.017 0.017 3 0 "[ . 1 . 2]" 1
158 1 15 GLU H 1 16 GLY H 1.800 . 6.000 3.246 1.742 4.570 0.058 7 0 "[ . 1 . 2]" 1
159 1 15 GLU H 1 16 GLY QA 1.800 . 5.000 4.698 3.874 5.320 0.320 8 0 "[ . 1 . 2]" 1
160 1 14 ARG HA 1 15 GLU H 1.800 . 5.000 2.600 2.111 3.578 . 0 0 "[ . 1 . 2]" 1
161 1 14 ARG QG 1 15 GLU H 1.800 . 6.000 3.559 1.743 4.395 0.057 4 0 "[ . 1 . 2]" 1
162 1 14 ARG HE 1 15 GLU H 1.800 . 6.000 4.886 1.718 6.042 0.082 4 0 "[ . 1 . 2]" 1
163 1 16 GLY H 1 17 LYS H 1.800 . 4.200 3.224 1.710 4.350 0.150 11 0 "[ . 1 . 2]" 1
164 1 15 GLU HA 1 16 GLY H 1.800 . 6.000 2.757 2.170 3.568 . 0 0 "[ . 1 . 2]" 1
165 1 15 GLU QB 1 16 GLY H 1.800 . 6.000 3.358 2.104 4.042 . 0 0 "[ . 1 . 2]" 1
166 1 15 GLU QG 1 16 GLY H 1.800 . 6.000 3.979 3.271 4.597 . 0 0 "[ . 1 . 2]" 1
167 1 16 GLY H 1 17 LYS QB 1.800 . 6.000 4.615 3.579 5.680 . 0 0 "[ . 1 . 2]" 1
168 1 16 GLY HA3 1 17 LYS H 1.800 . 6.000 3.356 2.160 3.595 . 0 0 "[ . 1 . 2]" 1
169 1 16 GLY HA2 1 17 LYS H 1.800 . 6.000 2.636 2.147 3.571 . 0 0 "[ . 1 . 2]" 1
170 1 17 LYS QG 1 18 PRO QD 1.800 . 6.000 3.507 2.038 4.027 . 0 0 "[ . 1 . 2]" 1
171 1 19 MET H 1 20 ILE H 1.800 . 6.000 4.419 4.253 4.572 . 0 0 "[ . 1 . 2]" 1
172 1 18 PRO HA 1 19 MET QB 1.800 . 5.000 4.171 4.003 4.287 . 0 0 "[ . 1 . 2]" 1
173 1 18 PRO QB 1 19 MET QB 1.800 . 5.000 4.983 4.706 5.085 0.085 4 0 "[ . 1 . 2]" 1
174 1 19 MET HA 1 20 ILE H 1.800 . 6.000 2.203 2.105 2.267 . 0 0 "[ . 1 . 2]" 1
175 1 19 MET QG 1 20 ILE H 1.800 . 6.000 2.820 2.150 3.559 . 0 0 "[ . 1 . 2]" 1
176 1 19 MET HA 1 20 ILE QG 1.800 . 6.000 3.717 3.595 3.880 . 0 0 "[ . 1 . 2]" 1
177 1 19 MET HA 1 20 ILE MG 1.800 . 6.000 5.502 5.469 5.558 . 0 0 "[ . 1 . 2]" 1
178 1 19 MET ME 1 20 ILE MG 1.800 . 6.000 5.477 5.022 5.976 . 0 0 "[ . 1 . 2]" 1
179 1 20 ILE MG 1 21 SER HA 1.800 . 6.000 3.870 3.744 3.950 . 0 0 "[ . 1 . 2]" 1
180 1 20 ILE H 1 21 SER H 1.800 . 6.000 4.451 4.362 4.497 . 0 0 "[ . 1 . 2]" 1
181 1 20 ILE HA 1 21 SER H 1.800 . 4.200 2.185 2.140 2.208 . 0 0 "[ . 1 . 2]" 1
182 1 20 ILE HB 1 21 SER H 1.800 . 6.000 4.186 4.092 4.361 . 0 0 "[ . 1 . 2]" 1
183 1 20 ILE MG 1 21 SER H 1.800 . 4.200 2.593 2.469 2.891 . 0 0 "[ . 1 . 2]" 1
184 1 20 ILE MD 1 21 SER H 1.800 . 5.000 4.547 3.441 5.100 0.100 16 0 "[ . 1 . 2]" 1
185 1 21 SER H 1 22 LEU QB 1.800 . 6.000 5.963 5.748 6.089 0.089 15 0 "[ . 1 . 2]" 1
186 1 21 SER H 1 22 LEU H 1.800 . 4.200 4.168 4.083 4.229 0.029 8 0 "[ . 1 . 2]" 1
187 1 22 LEU H 1 23 VAL H 1.800 . 4.200 2.631 2.509 2.787 . 0 0 "[ . 1 . 2]" 1
188 1 22 LEU H 1 23 VAL MG2 1.800 . 6.000 3.776 3.428 4.025 . 0 0 "[ . 1 . 2]" 1
189 1 21 SER HA 1 22 LEU HG 1.800 . 6.000 4.546 3.655 5.592 . 0 0 "[ . 1 . 2]" 1
190 1 21 SER HA 1 22 LEU H 1.800 . 5.000 2.241 2.199 2.285 . 0 0 "[ . 1 . 2]" 1
191 1 22 LEU HA 1 23 VAL MG1 1.800 . 6.000 5.992 5.934 6.061 0.061 18 0 "[ . 1 . 2]" 1
192 1 22 LEU HA 1 23 VAL H 1.800 . 5.000 3.358 3.282 3.430 . 0 0 "[ . 1 . 2]" 1
193 1 22 LEU QB 1 23 VAL H 1.800 . 4.200 3.592 3.125 3.834 . 0 0 "[ . 1 . 2]" 1
194 1 22 LEU HG 1 23 VAL H 1.800 . 6.000 4.260 2.709 5.048 . 0 0 "[ . 1 . 2]" 1
195 1 22 LEU MD1 1 23 VAL H 1.800 . 6.000 3.046 2.028 4.155 . 0 0 "[ . 1 . 2]" 1
196 1 22 LEU MD2 1 23 VAL H 1.800 . 6.000 3.501 1.852 5.221 . 0 0 "[ . 1 . 2]" 1
197 1 22 LEU HA 1 23 VAL MG2 1.800 . 6.000 4.952 4.783 5.062 . 0 0 "[ . 1 . 2]" 1
198 1 22 LEU QB 1 23 VAL MG2 1.800 . 6.000 4.288 3.644 4.642 . 0 0 "[ . 1 . 2]" 1
199 1 22 LEU QD 1 23 VAL QG 1.800 . 6.000 2.471 2.049 3.558 . 0 0 "[ . 1 . 2]" 1
200 1 23 VAL H 1 24 ASP H 1.800 . 4.200 2.685 2.595 2.765 . 0 0 "[ . 1 . 2]" 1
201 1 23 VAL MG1 1 24 ASP HA 1.800 . 4.200 3.894 3.746 4.033 . 0 0 "[ . 1 . 2]" 1
202 1 23 VAL MG1 1 24 ASP QB 1.800 . 4.200 3.264 2.749 4.065 . 0 0 "[ . 1 . 2]" 1
203 1 23 VAL MG2 1 24 ASP HA 1.800 . 6.000 5.594 5.550 5.625 . 0 0 "[ . 1 . 2]" 1
204 1 23 VAL MG2 1 24 ASP QB 1.800 . 6.000 5.001 4.737 5.246 . 0 0 "[ . 1 . 2]" 1
205 1 24 ASP H 1 25 GLY H 1.800 . 4.200 1.868 1.764 2.019 0.036 9 0 "[ . 1 . 2]" 1
206 1 23 VAL HA 1 24 ASP H 1.800 . 5.000 3.550 3.524 3.576 . 0 0 "[ . 1 . 2]" 1
207 1 23 VAL HB 1 24 ASP H 1.800 . 4.200 2.495 2.382 2.596 . 0 0 "[ . 1 . 2]" 1
208 1 23 VAL QG 1 24 ASP H 1.800 . 4.200 3.127 3.039 3.189 . 0 0 "[ . 1 . 2]" 1
209 1 25 GLY H 1 26 GLU H 1.800 . 5.000 3.158 2.424 3.515 . 0 0 "[ . 1 . 2]" 1
210 1 24 ASP HA 1 25 GLY H 1.800 . 5.000 3.271 3.128 3.443 . 0 0 "[ . 1 . 2]" 1
211 1 24 ASP QB 1 25 GLY H 1.800 . 5.000 3.466 3.048 3.979 . 0 0 "[ . 1 . 2]" 1
212 1 26 GLU H 1 27 GLU H 1.800 . 5.000 4.378 4.283 4.666 . 0 0 "[ . 1 . 2]" 1
213 1 25 GLY QA 1 26 GLU H 1.800 . 5.000 2.434 2.233 2.907 . 0 0 "[ . 1 . 2]" 1
214 1 27 GLU H 1 28 ILE H 1.800 . 6.000 4.541 4.475 4.638 . 0 0 "[ . 1 . 2]" 1
215 1 26 GLU HA 1 27 GLU H 1.800 . 4.200 2.236 2.190 2.338 . 0 0 "[ . 1 . 2]" 1
216 1 26 GLU QG 1 27 GLU H 1.800 . 4.200 3.760 2.647 4.328 0.128 8 0 "[ . 1 . 2]" 1
217 1 26 GLU QB 1 27 GLU H 1.800 . 5.000 3.145 2.543 3.716 . 0 0 "[ . 1 . 2]" 1
218 1 27 GLU HA 1 28 ILE H 1.800 . 5.000 2.214 2.168 2.282 . 0 0 "[ . 1 . 2]" 1
219 1 27 GLU QB 1 28 ILE H 1.800 . 6.000 3.367 3.022 3.849 . 0 0 "[ . 1 . 2]" 1
220 1 27 GLU HA 1 28 ILE MG 1.800 . 6.000 5.475 5.440 5.520 . 0 0 "[ . 1 . 2]" 1
221 1 27 GLU HA 1 28 ILE MD 1.800 . 6.000 4.658 2.951 4.904 . 0 0 "[ . 1 . 2]" 1
222 1 28 ILE MG 1 29 LYS QG 1.800 . 6.000 4.997 3.648 5.859 . 0 0 "[ . 1 . 2]" 1
223 1 28 ILE H 1 29 LYS H 1.800 . 5.000 3.730 3.135 4.564 . 0 0 "[ . 1 . 2]" 1
224 1 28 ILE HA 1 29 LYS H 1.800 . 5.000 2.511 2.428 2.607 . 0 0 "[ . 1 . 2]" 1
225 1 28 ILE HB 1 29 LYS H 1.800 . 6.000 4.290 3.593 4.475 . 0 0 "[ . 1 . 2]" 1
226 1 28 ILE MG 1 29 LYS H 1.800 . 5.000 3.454 1.966 3.949 . 0 0 "[ . 1 . 2]" 1
227 1 28 ILE MG 1 29 LYS QB 1.800 . 6.000 4.801 4.033 5.322 . 0 0 "[ . 1 . 2]" 1
228 1 28 ILE HA 1 29 LYS QB 1.800 . 5.000 4.538 3.985 4.948 . 0 0 "[ . 1 . 2]" 1
229 1 29 LYS H 1 30 GLY QA 1.800 . 6.000 4.737 3.561 5.255 . 0 0 "[ . 1 . 2]" 1
230 1 29 LYS H 1 30 GLY H 1.800 . 6.000 3.771 1.990 4.478 . 0 0 "[ . 1 . 2]" 1
231 1 29 LYS HA 1 30 GLY H 1.800 . 5.000 2.369 2.129 2.872 . 0 0 "[ . 1 . 2]" 1
232 1 29 LYS QB 1 30 GLY H 1.800 . 5.000 3.710 3.429 4.024 . 0 0 "[ . 1 . 2]" 1
233 1 29 LYS QG 1 30 GLY H 1.800 . 6.000 4.061 3.009 4.493 . 0 0 "[ . 1 . 2]" 1
234 1 29 LYS QD 1 30 GLY H 1.800 . 6.000 5.529 4.357 6.071 0.071 17 0 "[ . 1 . 2]" 1
235 1 30 GLY H 1 31 THR H 1.800 . 4.200 1.762 1.645 1.949 0.155 8 0 "[ . 1 . 2]" 1
236 1 30 GLY H 1 31 THR MG 1.800 . 6.000 4.419 3.396 5.290 . 0 0 "[ . 1 . 2]" 1
237 1 31 THR H 1 32 VAL H 1.800 . 5.000 4.365 4.327 4.395 . 0 0 "[ . 1 . 2]" 1
238 1 31 THR H 1 32 VAL HA 1.800 . 6.000 4.754 4.666 4.880 . 0 0 "[ . 1 . 2]" 1
239 1 31 THR H 1 32 VAL QG 1.800 . 6.000 3.815 3.569 4.096 . 0 0 "[ . 1 . 2]" 1
240 1 30 GLY QA 1 31 THR H 1.800 . 5.000 2.830 2.759 2.881 . 0 0 "[ . 1 . 2]" 1
241 1 32 VAL H 1 33 TYR H 1.800 . 4.200 3.922 3.446 4.127 . 0 0 "[ . 1 . 2]" 1
242 1 32 VAL H 1 33 TYR QD 1.800 . 6.000 5.330 4.982 6.115 0.115 5 0 "[ . 1 . 2]" 1
243 1 31 THR HA 1 32 VAL H 1.800 . 4.200 2.256 2.164 2.375 . 0 0 "[ . 1 . 2]" 1
244 1 31 THR HB 1 32 VAL H 1.800 . 4.200 3.396 2.589 4.128 . 0 0 "[ . 1 . 2]" 1
245 1 31 THR MG 1 32 VAL H 1.800 . 5.000 3.048 2.058 3.710 . 0 0 "[ . 1 . 2]" 1
246 1 31 THR HB 1 32 VAL MG1 1.800 . 6.000 5.077 4.744 5.784 . 0 0 "[ . 1 . 2]" 1
247 1 31 THR HA 1 32 VAL MG1 1.800 . 6.000 3.843 3.392 5.228 . 0 0 "[ . 1 . 2]" 1
248 1 31 THR MG 1 32 VAL MG1 1.800 . 6.000 4.806 4.074 6.041 0.041 1 0 "[ . 1 . 2]" 1
249 1 33 TYR H 1 34 LEU H 1.800 . 6.000 2.873 2.630 3.091 . 0 0 "[ . 1 . 2]" 1
250 1 33 TYR H 1 34 LEU HA 1.800 . 6.000 5.457 5.263 5.580 . 0 0 "[ . 1 . 2]" 1
251 1 32 VAL HA 1 33 TYR H 1.800 . 4.200 2.245 2.155 2.486 . 0 0 "[ . 1 . 2]" 1
252 1 32 VAL HB 1 33 TYR H 1.800 . 5.000 3.965 3.645 4.292 . 0 0 "[ . 1 . 2]" 1
253 1 32 VAL QG 1 33 TYR H 1.800 . 4.200 3.692 3.311 3.788 . 0 0 "[ . 1 . 2]" 1
254 1 33 TYR HA 1 34 LEU H 1.800 . 6.000 2.996 2.610 3.151 . 0 0 "[ . 1 . 2]" 1
255 1 33 TYR QD 1 34 LEU H 1.800 . 6.000 4.499 3.922 4.849 . 0 0 "[ . 1 . 2]" 1
256 1 36 ASP H 1 37 GLY H 1.800 . 5.000 2.676 1.852 3.995 . 0 0 "[ . 1 . 2]" 1
257 1 35 GLY QA 1 36 ASP H 1.800 . 6.000 2.739 2.154 2.920 . 0 0 "[ . 1 . 2]" 1
258 1 37 GLY H 1 38 TRP H 1.800 . 5.000 1.959 1.671 2.590 0.129 3 0 "[ . 1 . 2]" 1
259 1 36 ASP QB 1 37 GLY H 1.800 . 6.000 2.387 1.754 3.730 0.046 16 0 "[ . 1 . 2]" 1
260 1 36 ASP HA 1 37 GLY H 1.800 . 6.000 3.473 3.074 3.593 . 0 0 "[ . 1 . 2]" 1
261 1 37 GLY QA 1 38 TRP H 1.800 . 5.000 2.808 2.471 2.895 . 0 0 "[ . 1 . 2]" 1
262 1 38 TRP H 1 39 SER H 1.800 . 6.000 4.626 4.539 4.681 . 0 0 "[ . 1 . 2]" 1
263 1 38 TRP QB 1 39 SER H 1.800 . 6.000 3.088 2.620 3.735 . 0 0 "[ . 1 . 2]" 1
264 1 39 SER H 1 40 ALA H 1.800 . 5.000 4.299 4.171 4.388 . 0 0 "[ . 1 . 2]" 1
265 1 39 SER HA 1 40 ALA H 1.800 . 5.000 2.361 2.270 2.441 . 0 0 "[ . 1 . 2]" 1
266 1 39 SER QB 1 40 ALA H 1.800 . 5.000 3.347 2.833 3.798 . 0 0 "[ . 1 . 2]" 1
267 1 40 ALA H 1 41 LYS HA 1.800 . 6.000 4.795 4.646 4.948 . 0 0 "[ . 1 . 2]" 1
268 1 40 ALA H 1 41 LYS H 1.800 . 5.000 4.421 4.366 4.486 . 0 0 "[ . 1 . 2]" 1
269 1 40 ALA HA 1 41 LYS H 1.800 . 4.200 2.535 2.457 2.654 . 0 0 "[ . 1 . 2]" 1
270 1 40 ALA MB 1 41 LYS H 1.800 . 4.200 2.303 2.111 2.450 . 0 0 "[ . 1 . 2]" 1
271 1 41 LYS H 1 42 LYS H 1.800 . 6.000 4.223 3.724 4.400 . 0 0 "[ . 1 . 2]" 1
272 1 41 LYS HA 1 42 LYS H 1.800 . 4.200 2.370 2.259 2.454 . 0 0 "[ . 1 . 2]" 1
273 1 41 LYS QB 1 42 LYS H 1.800 . 5.000 3.132 2.613 4.020 . 0 0 "[ . 1 . 2]" 1
274 1 42 LYS H 1 43 ASP H 1.800 . 6.000 4.468 4.380 4.555 . 0 0 "[ . 1 . 2]" 1
275 1 42 LYS HA 1 43 ASP H 1.800 . 4.200 2.197 2.141 2.274 . 0 0 "[ . 1 . 2]" 1
276 1 42 LYS QB 1 43 ASP H 1.800 . 5.000 3.321 3.093 3.530 . 0 0 "[ . 1 . 2]" 1
277 1 42 LYS QG 1 43 ASP H 1.800 . 6.000 4.341 3.879 4.877 . 0 0 "[ . 1 . 2]" 1
278 1 42 LYS QD 1 43 ASP H 1.800 . 6.000 4.927 3.954 5.802 . 0 0 "[ . 1 . 2]" 1
279 1 43 ASP H 1 44 GLY H 1.800 . 5.000 2.247 2.053 2.355 . 0 0 "[ . 1 . 2]" 1
280 1 43 ASP HA 1 44 GLY H 1.800 . 4.200 3.366 3.294 3.425 . 0 0 "[ . 1 . 2]" 1
281 1 43 ASP HB3 1 44 GLY H 1.800 . 5.000 3.614 3.220 4.347 . 0 0 "[ . 1 . 2]" 1
282 1 43 ASP HB2 1 44 GLY H 1.800 . 5.000 4.026 3.506 4.313 . 0 0 "[ . 1 . 2]" 1
283 1 44 GLY H 1 45 ALA MB 1.800 . 6.000 5.068 4.499 5.438 . 0 0 "[ . 1 . 2]" 1
284 1 44 GLY H 1 45 ALA H 1.800 . 5.000 3.481 2.277 4.160 . 0 0 "[ . 1 . 2]" 1
285 1 44 GLY HA2 1 45 ALA H 1.800 . 5.000 3.004 2.193 3.390 . 0 0 "[ . 1 . 2]" 1
286 1 44 GLY HA3 1 45 ALA H 1.800 . 5.000 2.797 2.152 3.471 . 0 0 "[ . 1 . 2]" 1
287 1 44 GLY HA2 1 45 ALA MB 1.800 . 6.000 4.470 3.955 4.717 . 0 0 "[ . 1 . 2]" 1
288 1 44 GLY HA3 1 45 ALA MB 1.800 . 5.000 3.991 3.808 4.172 . 0 0 "[ . 1 . 2]" 1
289 1 45 ALA MB 1 46 THR MG 1.800 . 5.000 4.802 4.606 4.978 . 0 0 "[ . 1 . 2]" 1
290 1 45 ALA H 1 46 THR H 1.800 . 4.200 2.422 1.735 2.873 0.065 15 0 "[ . 1 . 2]" 1
291 1 45 ALA HA 1 46 THR H 1.800 . 4.200 3.371 3.067 3.566 . 0 0 "[ . 1 . 2]" 1
292 1 45 ALA MB 1 46 THR H 1.800 . 4.200 3.025 2.132 3.580 . 0 0 "[ . 1 . 2]" 1
293 1 46 THR MG 1 47 ILE HA 1.800 . 6.000 4.087 3.793 4.280 . 0 0 "[ . 1 . 2]" 1
294 1 46 THR MG 1 47 ILE HB 1.800 . 6.000 4.482 4.205 4.736 . 0 0 "[ . 1 . 2]" 1
295 1 46 THR MG 1 47 ILE MD 1.800 . 6.000 4.384 4.251 4.551 . 0 0 "[ . 1 . 2]" 1
296 1 46 THR MG 1 47 ILE MG 1.800 . 5.000 4.935 4.761 5.063 0.063 17 0 "[ . 1 . 2]" 1
297 1 46 THR H 1 47 ILE H 1.800 . 6.000 4.150 3.805 4.374 . 0 0 "[ . 1 . 2]" 1
298 1 46 THR HA 1 47 ILE H 1.800 . 5.000 2.181 2.133 2.271 . 0 0 "[ . 1 . 2]" 1
299 1 46 THR HB 1 47 ILE H 1.800 . 6.000 4.185 3.962 4.332 . 0 0 "[ . 1 . 2]" 1
300 1 46 THR MG 1 47 ILE H 1.800 . 4.200 2.736 2.242 3.003 . 0 0 "[ . 1 . 2]" 1
301 1 46 THR HA 1 47 ILE MD 1.800 . 6.000 3.623 3.394 4.035 . 0 0 "[ . 1 . 2]" 1
302 1 47 ILE H 1 48 VAL H 1.800 . 5.000 4.571 4.408 4.647 . 0 0 "[ . 1 . 2]" 1
303 1 47 ILE HA 1 48 VAL H 1.800 . 5.000 2.213 2.159 2.250 . 0 0 "[ . 1 . 2]" 1
304 1 47 ILE MG 1 48 VAL H 1.800 . 5.000 2.468 2.259 2.841 . 0 0 "[ . 1 . 2]" 1
305 1 47 ILE MD 1 48 VAL H 1.800 . 5.000 3.828 3.727 3.935 . 0 0 "[ . 1 . 2]" 1
306 1 47 ILE HA 1 48 VAL MG2 1.800 . 6.000 3.538 3.352 3.703 . 0 0 "[ . 1 . 2]" 1
307 1 48 VAL H 1 49 ILE HA 1.800 . 6.000 5.072 4.903 5.224 . 0 0 "[ . 1 . 2]" 1
308 1 48 VAL MG1 1 49 ILE HA 1.800 . 6.000 3.783 3.512 4.080 . 0 0 "[ . 1 . 2]" 1
309 1 48 VAL MG1 1 49 ILE HB 1.800 . 6.000 5.115 4.840 5.679 . 0 0 "[ . 1 . 2]" 1
310 1 48 VAL H 1 49 ILE H 1.800 . 6.000 4.327 4.122 4.457 . 0 0 "[ . 1 . 2]" 1
311 1 48 VAL HA 1 49 ILE H 1.800 . 5.000 2.216 2.170 2.268 . 0 0 "[ . 1 . 2]" 1
312 1 48 VAL MG1 1 49 ILE H 1.800 . 4.200 2.987 2.752 3.373 . 0 0 "[ . 1 . 2]" 1
313 1 48 VAL MG1 1 49 ILE MG 1.800 . 6.000 4.600 4.127 5.298 . 0 0 "[ . 1 . 2]" 1
314 1 49 ILE H 1 50 SER H 1.800 . 6.000 4.453 4.356 4.560 . 0 0 "[ . 1 . 2]" 1
315 1 49 ILE HA 1 50 SER H 1.800 . 5.000 2.299 2.190 2.520 . 0 0 "[ . 1 . 2]" 1
316 1 49 ILE MG 1 50 SER H 1.800 . 4.200 3.409 1.739 4.172 0.061 8 0 "[ . 1 . 2]" 1
317 1 49 ILE MD 1 50 SER H 1.800 . 6.000 3.848 2.863 5.123 . 0 0 "[ . 1 . 2]" 1
318 1 52 ALA MB 1 53 GLU QG 1.800 . 6.000 3.185 2.207 4.773 . 0 0 "[ . 1 . 2]" 1
319 1 52 ALA H 1 53 GLU H 1.800 . 4.200 2.273 1.978 2.707 . 0 0 "[ . 1 . 2]" 1
320 1 52 ALA HA 1 53 GLU H 1.800 . 4.200 3.551 3.429 3.603 . 0 0 "[ . 1 . 2]" 1
321 1 52 ALA MB 1 53 GLU H 1.800 . 4.200 2.383 2.083 2.617 . 0 0 "[ . 1 . 2]" 1
322 1 53 GLU H 1 54 GLU H 1.800 . 5.000 4.324 4.289 4.374 . 0 0 "[ . 1 . 2]" 1
323 1 53 GLU HA 1 54 GLU H 1.800 . 5.000 2.785 2.711 2.869 . 0 0 "[ . 1 . 2]" 1
324 1 53 GLU QB 1 54 GLU H 1.800 . 5.000 1.871 1.747 2.365 0.053 9 0 "[ . 1 . 2]" 1
325 1 53 GLU QG 1 54 GLU H 1.800 . 6.000 3.314 1.807 3.755 . 0 0 "[ . 1 . 2]" 1
326 1 53 GLU HA 1 54 GLU QG 1.800 . 6.000 5.354 3.754 5.829 . 0 0 "[ . 1 . 2]" 1
327 1 54 GLU H 1 55 THR H 1.800 . 5.000 3.789 3.605 3.915 . 0 0 "[ . 1 . 2]" 1
328 1 54 GLU HA 1 55 THR H 1.800 . 5.000 2.234 2.182 2.301 . 0 0 "[ . 1 . 2]" 1
329 1 54 GLU QB 1 55 THR H 1.800 . 5.000 3.862 3.623 4.005 . 0 0 "[ . 1 . 2]" 1
330 1 54 GLU QG 1 55 THR H 1.800 . 6.000 3.508 3.016 4.577 . 0 0 "[ . 1 . 2]" 1
331 1 55 THR H 1 56 ALA MB 1.800 . 6.000 5.054 4.654 5.557 . 0 0 "[ . 1 . 2]" 1
332 1 55 THR H 1 56 ALA H 1.800 . 6.000 3.507 2.712 4.438 . 0 0 "[ . 1 . 2]" 1
333 1 55 THR HA 1 56 ALA H 1.800 . 5.000 2.645 2.173 3.559 . 0 0 "[ . 1 . 2]" 1
334 1 56 ALA H 1 57 LEU QB 1.800 . 6.000 5.301 4.837 6.247 0.247 11 0 "[ . 1 . 2]" 1
335 1 55 THR MG 1 56 ALA H 1.800 . 5.000 4.133 3.294 4.439 . 0 0 "[ . 1 . 2]" 1
336 1 55 THR HA 1 56 ALA MB 1.800 . 5.000 3.938 3.642 4.359 . 0 0 "[ . 1 . 2]" 1
337 1 55 THR HB 1 56 ALA MB 1.800 . 4.200 4.129 3.823 4.361 0.161 14 0 "[ . 1 . 2]" 1
338 1 55 THR MG 1 56 ALA MB 1.800 . 6.000 4.900 4.586 5.116 . 0 0 "[ . 1 . 2]" 1
339 1 56 ALA MB 1 57 LEU MD1 1.800 . 4.200 3.539 2.126 4.366 0.166 1 0 "[ . 1 . 2]" 1
340 1 56 ALA MB 1 57 LEU MD2 1.800 . 4.200 3.018 2.080 4.373 0.173 20 0 "[ . 1 . 2]" 1
341 1 56 ALA MB 1 57 LEU QB 1.800 . 5.000 4.181 3.514 4.559 . 0 0 "[ . 1 . 2]" 1
342 1 56 ALA H 1 57 LEU H 1.800 . 5.000 3.192 2.653 4.135 . 0 0 "[ . 1 . 2]" 1
343 1 56 ALA HA 1 57 LEU H 1.800 . 6.000 3.500 3.436 3.572 . 0 0 "[ . 1 . 2]" 1
344 1 56 ALA MB 1 57 LEU H 1.800 . 5.000 2.608 1.779 3.047 0.021 17 0 "[ . 1 . 2]" 1
345 1 57 LEU H 1 58 PHE H 1.800 . 5.000 2.619 2.183 3.452 . 0 0 "[ . 1 . 2]" 1
346 1 57 LEU HA 1 58 PHE H 1.800 . 4.200 3.201 2.830 3.378 . 0 0 "[ . 1 . 2]" 1
347 1 57 LEU QB 1 58 PHE H 1.800 . 4.200 3.502 3.158 4.045 . 0 0 "[ . 1 . 2]" 1
348 1 57 LEU MD1 1 58 PHE H 1.800 . 6.000 4.621 3.837 5.165 . 0 0 "[ . 1 . 2]" 1
349 1 57 LEU MD2 1 58 PHE H 1.800 . 6.000 4.629 4.086 5.291 . 0 0 "[ . 1 . 2]" 1
350 1 58 PHE H 1 59 LYS H 1.800 . 6.000 4.312 3.972 4.535 . 0 0 "[ . 1 . 2]" 1
351 1 58 PHE HA 1 59 LYS H 1.800 . 5.000 2.840 2.524 3.161 . 0 0 "[ . 1 . 2]" 1
352 1 58 PHE QB 1 59 LYS H 1.800 . 5.000 1.912 1.780 2.643 0.020 14 0 "[ . 1 . 2]" 1
353 1 58 PHE HA 1 59 LYS QB 1.800 . 6.000 4.184 3.838 4.549 . 0 0 "[ . 1 . 2]" 1
354 1 58 PHE HA 1 59 LYS QG 1.800 . 6.000 4.020 3.042 5.730 . 0 0 "[ . 1 . 2]" 1
355 1 59 LYS HB3 1 60 ALA MB 1.800 . 6.000 5.485 5.072 5.931 . 0 0 "[ . 1 . 2]" 1
356 1 59 LYS HB2 1 60 ALA MB 1.800 . 6.000 4.433 3.939 5.631 . 0 0 "[ . 1 . 2]" 1
357 1 59 LYS QG 1 60 ALA MB 1.800 . 6.000 4.724 3.463 5.411 . 0 0 "[ . 1 . 2]" 1
358 1 59 LYS H 1 60 ALA H 1.800 . 5.000 4.379 3.986 4.458 . 0 0 "[ . 1 . 2]" 1
359 1 59 LYS HA 1 60 ALA H 1.800 . 5.000 2.304 2.154 2.458 . 0 0 "[ . 1 . 2]" 1
360 1 59 LYS HB3 1 60 ALA H 1.800 . 6.000 3.900 3.441 4.467 . 0 0 "[ . 1 . 2]" 1
361 1 59 LYS HB2 1 60 ALA H 1.800 . 6.000 2.831 2.314 3.997 . 0 0 "[ . 1 . 2]" 1
362 1 59 LYS QG 1 60 ALA H 1.800 . 5.000 3.725 2.106 4.524 . 0 0 "[ . 1 . 2]" 1
363 1 59 LYS QD 1 60 ALA H 1.800 . 6.000 4.801 3.433 5.914 . 0 0 "[ . 1 . 2]" 1
364 1 59 LYS HA 1 60 ALA MB 1.800 . 5.000 4.047 3.957 4.133 . 0 0 "[ . 1 . 2]" 1
365 1 59 LYS QB 1 60 ALA MB 1.800 . 6.000 4.233 3.811 4.827 . 0 0 "[ . 1 . 2]" 1
366 1 60 ALA H 1 61 LYS H 1.800 . 6.000 4.587 4.539 4.633 . 0 0 "[ . 1 . 2]" 1
367 1 60 ALA HA 1 61 LYS H 1.800 . 4.200 2.578 2.523 2.650 . 0 0 "[ . 1 . 2]" 1
368 1 60 ALA MB 1 61 LYS H 1.800 . 4.200 2.240 2.109 2.384 . 0 0 "[ . 1 . 2]" 1
369 1 62 HIS HD1 1 63 ILE H 1.800 . 6.000 4.144 3.675 4.754 . 0 0 "[ . 1 . 2]" 1
370 1 62 HIS HA 1 63 ILE H 1.800 . 4.200 2.327 2.132 2.542 . 0 0 "[ . 1 . 2]" 1
371 1 62 HIS HB3 1 63 ILE H 1.800 . 6.000 2.928 2.178 3.881 . 0 0 "[ . 1 . 2]" 1
372 1 62 HIS HB2 1 63 ILE H 1.800 . 6.000 3.883 3.373 4.458 . 0 0 "[ . 1 . 2]" 1
373 1 62 HIS HA 1 63 ILE QG 1.800 . 6.000 4.738 3.695 5.782 . 0 0 "[ . 1 . 2]" 1
374 1 62 HIS HA 1 63 ILE MG 1.800 . 6.000 5.028 3.727 5.521 . 0 0 "[ . 1 . 2]" 1
375 1 62 HIS HA 1 63 ILE MD 1.800 . 6.000 5.459 5.054 6.085 0.085 20 0 "[ . 1 . 2]" 1
376 1 63 ILE MG 1 64 SER HA 1.800 . 6.000 4.108 3.865 4.438 . 0 0 "[ . 1 . 2]" 1
377 1 63 ILE MG 1 64 SER QB 1.800 . 5.000 4.272 3.786 5.095 0.095 12 0 "[ . 1 . 2]" 1
378 1 63 ILE H 1 64 SER H 1.800 . 5.000 4.155 3.743 4.571 . 0 0 "[ . 1 . 2]" 1
379 1 63 ILE HA 1 64 SER H 1.800 . 5.000 2.210 2.148 2.278 . 0 0 "[ . 1 . 2]" 1
380 1 63 ILE HB 1 64 SER H 1.800 . 6.000 4.483 4.063 4.614 . 0 0 "[ . 1 . 2]" 1
381 1 63 ILE MG 1 64 SER H 1.800 . 4.200 3.190 2.495 3.920 . 0 0 "[ . 1 . 2]" 1
382 1 64 SER QB 1 65 ALA MB 1.800 . 4.200 3.974 3.822 4.168 . 0 0 "[ . 1 . 2]" 1
383 1 64 SER H 1 65 ALA H 1.800 . 6.000 4.696 4.646 4.745 . 0 0 "[ . 1 . 2]" 1
384 1 64 SER HA 1 65 ALA H 1.800 . 5.000 2.385 2.314 2.472 . 0 0 "[ . 1 . 2]" 1
385 1 64 SER QB 1 65 ALA H 1.800 . 5.000 2.707 2.499 2.893 . 0 0 "[ . 1 . 2]" 1
386 1 64 SER HA 1 65 ALA MB 1.800 . 5.000 4.191 4.147 4.260 . 0 0 "[ . 1 . 2]" 1
387 1 65 ALA MB 1 66 ALA HA 1.800 . 5.000 3.827 3.778 3.892 . 0 0 "[ . 1 . 2]" 1
388 1 65 ALA MB 1 66 ALA MB 1.800 . 5.000 3.820 3.667 3.981 . 0 0 "[ . 1 . 2]" 1
389 1 65 ALA H 1 66 ALA H 1.800 . 4.200 2.873 2.788 2.977 . 0 0 "[ . 1 . 2]" 1
390 1 65 ALA HA 1 66 ALA H 1.800 . 5.000 3.603 3.565 3.627 . 0 0 "[ . 1 . 2]" 1
391 1 65 ALA MB 1 66 ALA H 1.800 . 6.000 2.531 2.296 2.758 . 0 0 "[ . 1 . 2]" 1
392 1 66 ALA H 1 67 HIS H 1.800 . 4.200 2.790 2.649 3.023 . 0 0 "[ . 1 . 2]" 1
393 1 66 ALA HA 1 67 HIS H 1.800 . 6.000 3.565 3.536 3.612 . 0 0 "[ . 1 . 2]" 1
394 1 66 ALA MB 1 67 HIS H 1.800 . 6.000 2.503 2.369 2.581 . 0 0 "[ . 1 . 2]" 1
395 1 67 HIS H 1 68 LEU QB 1.800 . 5.000 4.390 4.275 4.471 . 0 0 "[ . 1 . 2]" 1
396 1 67 HIS H 1 68 LEU HA 1.800 . 6.000 5.285 5.194 5.374 . 0 0 "[ . 1 . 2]" 1
397 1 67 HIS H 1 68 LEU H 1.800 . 4.200 2.651 2.564 2.717 . 0 0 "[ . 1 . 2]" 1
398 1 67 HIS HA 1 68 LEU H 1.800 . 6.000 3.506 3.470 3.540 . 0 0 "[ . 1 . 2]" 1
399 1 67 HIS QB 1 68 LEU H 1.800 . 5.000 2.859 2.617 3.014 . 0 0 "[ . 1 . 2]" 1
400 1 68 LEU H 1 69 LYS H 1.800 . 4.200 2.614 2.526 2.719 . 0 0 "[ . 1 . 2]" 1
401 1 68 LEU HA 1 69 LYS H 1.800 . 5.000 3.506 3.466 3.553 . 0 0 "[ . 1 . 2]" 1
402 1 68 LEU QB 1 69 LYS H 1.800 . 4.200 2.664 2.436 2.801 . 0 0 "[ . 1 . 2]" 1
403 1 68 LEU MD2 1 69 LYS H 1.800 . 5.000 4.236 3.633 4.583 . 0 0 "[ . 1 . 2]" 1
404 1 68 LEU MD2 1 69 LYS HA 1.800 . 5.000 4.362 3.345 5.055 0.055 4 0 "[ . 1 . 2]" 1
405 1 68 LEU MD1 1 69 LYS HA 1.800 . 6.000 3.541 2.517 5.151 . 0 0 "[ . 1 . 2]" 1
406 1 68 LEU MD2 1 69 LYS QB 1.800 . 6.000 5.478 4.802 5.966 . 0 0 "[ . 1 . 2]" 1
407 1 68 LEU MD1 1 69 LYS QB 1.800 . 6.000 4.729 3.380 6.036 0.036 15 0 "[ . 1 . 2]" 1
408 1 68 LEU MD1 1 69 LYS QG 1.800 . 5.000 3.965 3.049 5.072 0.072 17 0 "[ . 1 . 2]" 1
409 1 68 LEU MD1 1 69 LYS QE 1.800 . 5.000 4.783 3.608 5.167 0.167 5 0 "[ . 1 . 2]" 1
410 1 69 LYS QB 1 70 ILE HA 1.800 . 6.000 3.957 3.870 4.097 . 0 0 "[ . 1 . 2]" 1
411 1 69 LYS QB 1 70 ILE HB 1.800 . 5.000 4.765 4.373 5.061 0.061 17 0 "[ . 1 . 2]" 1
412 1 69 LYS QB 1 70 ILE MG 1.800 . 6.000 5.241 4.901 5.407 . 0 0 "[ . 1 . 2]" 1
413 1 69 LYS QB 1 70 ILE MD 1.800 . 6.000 4.874 4.526 5.847 . 0 0 "[ . 1 . 2]" 1
414 1 69 LYS H 1 70 ILE H 1.800 . 4.200 2.688 2.565 2.807 . 0 0 "[ . 1 . 2]" 1
415 1 69 LYS HA 1 70 ILE H 1.800 . 5.000 3.552 3.535 3.576 . 0 0 "[ . 1 . 2]" 1
416 1 69 LYS QB 1 70 ILE H 1.800 . 4.200 2.702 2.509 2.906 . 0 0 "[ . 1 . 2]" 1
417 1 69 LYS QD 1 70 ILE H 1.800 . 6.000 4.738 3.989 5.107 . 0 0 "[ . 1 . 2]" 1
418 1 70 ILE MG 1 71 ILE HA 1.800 . 6.000 3.233 2.983 3.358 . 0 0 "[ . 1 . 2]" 1
419 1 70 ILE H 1 71 ILE H 1.800 . 4.200 2.732 2.674 2.801 . 0 0 "[ . 1 . 2]" 1
420 1 70 ILE HA 1 71 ILE H 1.800 . 5.000 3.552 3.525 3.571 . 0 0 "[ . 1 . 2]" 1
421 1 70 ILE HB 1 71 ILE H 1.800 . 4.200 2.874 2.612 3.775 . 0 0 "[ . 1 . 2]" 1
422 1 70 ILE MG 1 71 ILE HB 1.800 . 5.000 4.854 3.758 5.059 0.059 8 0 "[ . 1 . 2]" 1
423 1 71 ILE HB 1 72 ALA MB 1.800 . 6.000 4.112 3.929 4.242 . 0 0 "[ . 1 . 2]" 1
424 1 71 ILE MG 1 72 ALA HA 1.800 . 5.000 3.319 3.174 3.414 . 0 0 "[ . 1 . 2]" 1
425 1 71 ILE MG 1 72 ALA MB 1.800 . 5.000 3.855 3.697 4.040 . 0 0 "[ . 1 . 2]" 1
426 1 71 ILE MD 1 72 ALA MB 1.800 . 6.000 5.315 5.076 5.673 . 0 0 "[ . 1 . 2]" 1
427 1 71 ILE H 1 72 ALA H 1.800 . 4.200 2.750 2.703 2.858 . 0 0 "[ . 1 . 2]" 1
428 1 71 ILE HA 1 72 ALA H 1.800 . 5.000 3.563 3.542 3.588 . 0 0 "[ . 1 . 2]" 1
429 1 71 ILE HB 1 72 ALA H 1.800 . 4.200 2.693 2.599 2.775 . 0 0 "[ . 1 . 2]" 1
430 1 71 ILE MG 1 72 ALA H 1.800 . 5.000 3.253 3.099 3.424 . 0 0 "[ . 1 . 2]" 1
431 1 71 ILE MD 1 72 ALA H 1.800 . 6.000 4.454 3.860 4.681 . 0 0 "[ . 1 . 2]" 1
432 1 72 ALA MB 1 73 LYS QB 1.800 . 5.000 4.225 3.707 4.506 . 0 0 "[ . 1 . 2]" 1
433 1 72 ALA MB 1 73 LYS HA 1.800 . 5.000 3.823 3.713 3.891 . 0 0 "[ . 1 . 2]" 1
434 1 72 ALA H 1 73 LYS H 1.800 . 4.200 2.718 2.515 2.938 . 0 0 "[ . 1 . 2]" 1
435 1 72 ALA HA 1 73 LYS H 1.800 . 4.200 3.564 3.507 3.617 . 0 0 "[ . 1 . 2]" 1
436 1 72 ALA MB 1 73 LYS H 1.800 . 4.200 2.596 2.367 2.780 . 0 0 "[ . 1 . 2]" 1
437 1 72 ALA MB 1 73 LYS QG 1.800 . 5.000 3.761 3.081 5.219 0.219 2 0 "[ . 1 . 2]" 1
438 1 72 ALA MB 1 73 LYS QD 1.800 . 6.000 5.155 4.692 5.891 . 0 0 "[ . 1 . 2]" 1
439 1 73 LYS H 1 74 ASN HA 1.800 . 6.000 5.358 5.247 5.439 . 0 0 "[ . 1 . 2]" 1
440 1 73 LYS H 1 74 ASN QB 1.800 . 5.000 4.559 4.327 4.831 . 0 0 "[ . 1 . 2]" 1
441 1 73 LYS H 1 74 ASN H 1.800 . 4.200 2.711 2.588 2.831 . 0 0 "[ . 1 . 2]" 1
442 1 73 LYS HA 1 74 ASN H 1.800 . 4.200 3.526 3.496 3.565 . 0 0 "[ . 1 . 2]" 1
443 1 73 LYS QB 1 74 ASN H 1.800 . 4.200 2.514 2.094 3.447 . 0 0 "[ . 1 . 2]" 1
444 1 73 LYS QG 1 74 ASN H 1.800 . 6.000 3.510 1.947 4.049 . 0 0 "[ . 1 . 2]" 1
445 1 74 ASN H 1 75 LEU HA 1.800 . 6.000 5.560 5.463 5.624 . 0 0 "[ . 1 . 2]" 1
446 1 74 ASN H 1 75 LEU QB 1.800 . 5.000 4.902 4.708 5.077 0.077 13 0 "[ . 1 . 2]" 1
447 1 74 ASN H 1 75 LEU MD2 1.800 . 6.000 5.302 3.637 6.057 0.057 20 0 "[ . 1 . 2]" 1
448 1 74 ASN QD 1 75 LEU H 1.800 . 5.000 4.305 3.352 5.000 . 0 0 "[ . 1 . 2]" 1
449 1 74 ASN H 1 75 LEU H 1.800 . 3.500 3.042 2.872 3.167 . 0 0 "[ . 1 . 2]" 1
450 1 74 ASN HA 1 75 LEU H 1.800 . 5.000 3.604 3.563 3.641 . 0 0 "[ . 1 . 2]" 1
451 1 74 ASN QB 1 75 LEU H 1.800 . 4.200 2.195 1.910 2.555 . 0 0 "[ . 1 . 2]" 1
452 1 74 ASN QB 1 75 LEU MD1 1.800 . 6.000 2.469 1.972 4.727 . 0 0 "[ . 1 . 2]" 1
453 1 75 LEU H 1 76 LEU HA 1.800 . 6.000 5.356 5.113 5.525 . 0 0 "[ . 1 . 2]" 1
454 1 75 LEU H 1 76 LEU QB 1.800 . 6.000 5.128 4.645 5.606 . 0 0 "[ . 1 . 2]" 1
455 1 75 LEU H 1 76 LEU H 1.800 . 3.500 2.759 2.446 2.963 . 0 0 "[ . 1 . 2]" 1
456 1 75 LEU HA 1 76 LEU H 1.800 . 4.200 3.559 3.467 3.594 . 0 0 "[ . 1 . 2]" 1
457 1 75 LEU QB 1 76 LEU H 1.800 . 3.500 2.546 2.298 2.993 . 0 0 "[ . 1 . 2]" 1
458 1 75 LEU HG 1 76 LEU H 1.800 . 6.000 5.042 4.652 5.281 . 0 0 "[ . 1 . 2]" 1
459 1 75 LEU MD1 1 76 LEU H 1.800 . 6.000 4.011 3.712 4.936 . 0 0 "[ . 1 . 2]" 1
460 1 75 LEU MD2 1 76 LEU H 1.800 . 6.000 4.383 3.593 4.927 . 0 0 "[ . 1 . 2]" 1
461 1 75 LEU HA 1 76 LEU QB 1.800 . 6.000 5.180 4.614 5.658 . 0 0 "[ . 1 . 2]" 1
462 1 75 LEU QB 1 76 LEU MD1 1.800 . 6.000 4.171 2.207 4.768 . 0 0 "[ . 1 . 2]" 1
463 1 75 LEU QB 1 76 LEU MD2 1.800 . 6.000 2.590 1.927 5.312 . 0 0 "[ . 1 . 2]" 1
464 1 1 ALA MB 1 5 SER QB 1.800 . 6.000 4.861 2.059 6.021 0.021 10 0 "[ . 1 . 2]" 1
465 1 2 THR MG 1 5 SER QB 1.800 . 5.000 4.153 3.505 4.916 . 0 0 "[ . 1 . 2]" 1
466 1 2 THR MG 1 6 GLU QB 1.800 . 6.000 4.608 3.331 5.820 . 0 0 "[ . 1 . 2]" 1
467 1 1 ALA HA 1 3 LEU H 1.800 . 6.000 4.684 3.226 6.255 0.255 20 0 "[ . 1 . 2]" 1
468 1 1 ALA MB 1 3 LEU H 1.800 . 6.000 3.694 2.355 5.999 . 0 0 "[ . 1 . 2]" 1
469 1 3 LEU HG 1 7 VAL MG2 1.800 . 4.200 2.408 2.061 2.959 . 0 0 "[ . 1 . 2]" 1
470 1 3 LEU MD1 1 7 VAL MG2 1.800 . 4.200 2.715 2.015 3.768 . 0 0 "[ . 1 . 2]" 1
471 1 3 LEU MD2 1 7 VAL MG2 1.800 . 4.200 3.464 2.759 4.141 . 0 0 "[ . 1 . 2]" 1
472 1 2 THR H 1 4 THR H 1.800 . 6.000 4.099 2.777 5.792 . 0 0 "[ . 1 . 2]" 1
473 1 2 THR HA 1 4 THR H 1.800 . 5.000 4.353 3.732 4.904 . 0 0 "[ . 1 . 2]" 1
474 1 2 THR HB 1 4 THR H 1.800 . 6.000 5.132 2.982 5.953 . 0 0 "[ . 1 . 2]" 1
475 1 2 THR MG 1 4 THR H 1.800 . 6.000 5.154 3.281 5.732 . 0 0 "[ . 1 . 2]" 1
476 1 4 THR MG 1 7 VAL HB 1.800 . 6.000 5.133 4.709 5.450 . 0 0 "[ . 1 . 2]" 1
477 1 3 LEU H 1 5 SER H 1.800 . 6.000 4.305 4.080 4.637 . 0 0 "[ . 1 . 2]" 1
478 1 2 THR HA 1 5 SER H 1.800 . 6.000 3.691 3.006 5.038 . 0 0 "[ . 1 . 2]" 1
479 1 2 THR HB 1 5 SER H 1.800 . 6.000 4.972 2.790 5.844 . 0 0 "[ . 1 . 2]" 1
480 1 2 THR MG 1 5 SER H 1.800 . 5.000 4.864 4.086 5.234 0.234 13 0 "[ . 1 . 2]" 1
481 1 4 THR H 1 6 GLU H 1.800 . 6.000 4.391 4.226 4.590 . 0 0 "[ . 1 . 2]" 1
482 1 3 LEU HA 1 6 GLU H 1.800 . 5.000 4.116 3.733 4.603 . 0 0 "[ . 1 . 2]" 1
483 1 2 THR HA 1 6 GLU H 1.800 . 6.000 3.470 2.499 5.183 . 0 0 "[ . 1 . 2]" 1
484 1 2 THR HB 1 6 GLU H 1.800 . 5.000 4.289 3.143 5.105 0.105 2 0 "[ . 1 . 2]" 1
485 1 2 THR MG 1 6 GLU QG 1.800 . 6.000 4.398 3.345 5.611 . 0 0 "[ . 1 . 2]" 1
486 1 5 SER H 1 7 VAL H 1.800 . 6.000 4.450 4.334 4.579 . 0 0 "[ . 1 . 2]" 1
487 1 5 SER HA 1 7 VAL H 1.800 . 6.000 4.824 4.695 5.022 . 0 0 "[ . 1 . 2]" 1
488 1 4 THR HA 1 7 VAL H 1.800 . 5.000 4.255 3.782 4.598 . 0 0 "[ . 1 . 2]" 1
489 1 4 THR HA 1 7 VAL HB 1.800 . 6.000 3.625 2.970 4.010 . 0 0 "[ . 1 . 2]" 1
490 1 3 LEU HA 1 7 VAL MG2 1.800 . 6.000 2.666 2.148 3.073 . 0 0 "[ . 1 . 2]" 1
491 1 3 LEU QB 1 7 VAL MG2 1.800 . 5.000 3.881 3.648 4.092 . 0 0 "[ . 1 . 2]" 1
492 1 3 LEU HA 1 7 VAL H 1.800 . 6.000 3.535 3.236 3.852 . 0 0 "[ . 1 . 2]" 1
493 1 6 GLU H 1 8 ILE H 1.800 . 6.000 4.530 4.271 4.674 . 0 0 "[ . 1 . 2]" 1
494 1 5 SER HA 1 8 ILE H 1.800 . 4.200 4.187 4.014 4.288 0.088 10 0 "[ . 1 . 2]" 1
495 1 5 SER HA 1 8 ILE HB 1.800 . 5.000 3.396 3.135 3.697 . 0 0 "[ . 1 . 2]" 1
496 1 5 SER HA 1 8 ILE MG 1.800 . 5.000 4.328 3.769 4.967 . 0 0 "[ . 1 . 2]" 1
497 1 5 SER HA 1 8 ILE MD 1.800 . 6.000 4.577 4.238 5.682 . 0 0 "[ . 1 . 2]" 1
498 1 4 THR MG 1 8 ILE HB 1.800 . 6.000 4.008 3.680 4.619 . 0 0 "[ . 1 . 2]" 1
499 1 4 THR MG 1 8 ILE MG 1.800 . 5.000 4.416 4.084 5.173 0.173 9 0 "[ . 1 . 2]" 1
500 1 4 THR MG 1 8 ILE MD 1.800 . 4.200 3.129 2.179 4.172 . 0 0 "[ . 1 . 2]" 1
501 1 4 THR HB 1 8 ILE H 1.800 . 6.000 6.022 5.921 6.125 0.125 5 0 "[ . 1 . 2]" 1
502 1 4 THR HA 1 8 ILE H 1.800 . 6.000 3.947 3.659 4.123 . 0 0 "[ . 1 . 2]" 1
503 1 7 VAL H 1 9 LYS H 1.800 . 6.000 4.368 4.237 4.554 . 0 0 "[ . 1 . 2]" 1
504 1 7 VAL HA 1 9 LYS H 1.800 . 6.000 4.641 4.371 4.806 . 0 0 "[ . 1 . 2]" 1
505 1 7 VAL MG1 1 9 LYS H 1.800 . 6.000 5.070 4.953 5.215 . 0 0 "[ . 1 . 2]" 1
506 1 7 VAL MG2 1 9 LYS H 1.800 . 6.000 5.546 5.351 5.723 . 0 0 "[ . 1 . 2]" 1
507 1 6 GLU HA 1 9 LYS H 1.800 . 4.200 3.986 3.639 4.233 0.033 20 0 "[ . 1 . 2]" 1
508 1 6 GLU HA 1 9 LYS QB 1.800 . 5.000 3.155 2.858 3.583 . 0 0 "[ . 1 . 2]" 1
509 1 5 SER HA 1 9 LYS H 1.800 . 6.000 4.122 3.742 4.565 . 0 0 "[ . 1 . 2]" 1
510 1 8 ILE H 1 10 ALA H 1.800 . 6.000 4.286 3.979 4.562 . 0 0 "[ . 1 . 2]" 1
511 1 7 VAL HA 1 10 ALA H 1.800 . 5.000 3.615 3.335 3.935 . 0 0 "[ . 1 . 2]" 1
512 1 7 VAL MG1 1 10 ALA H 1.800 . 6.000 4.701 4.429 4.929 . 0 0 "[ . 1 . 2]" 1
513 1 7 VAL MG2 1 10 ALA H 1.800 . 6.000 5.305 5.084 5.593 . 0 0 "[ . 1 . 2]" 1
514 1 7 VAL HA 1 10 ALA MB 1.800 . 4.200 2.851 2.411 3.310 . 0 0 "[ . 1 . 2]" 1
515 1 7 VAL HB 1 10 ALA MB 1.800 . 6.000 5.254 4.856 5.596 . 0 0 "[ . 1 . 2]" 1
516 1 7 VAL MG1 1 10 ALA MB 1.800 . 4.200 3.635 3.168 3.981 . 0 0 "[ . 1 . 2]" 1
517 1 7 VAL MG2 1 10 ALA MB 1.800 . 5.000 4.280 3.813 4.802 . 0 0 "[ . 1 . 2]" 1
518 1 6 GLU HA 1 10 ALA H 1.800 . 6.000 4.270 4.013 4.575 . 0 0 "[ . 1 . 2]" 1
519 1 9 LYS H 1 11 ASN H 1.800 . 6.000 4.287 3.839 4.689 . 0 0 "[ . 1 . 2]" 1
520 1 8 ILE HA 1 11 ASN H 1.800 . 4.200 3.583 3.396 3.737 . 0 0 "[ . 1 . 2]" 1
521 1 8 ILE MG 1 11 ASN H 1.800 . 6.000 4.585 4.334 4.814 . 0 0 "[ . 1 . 2]" 1
522 1 8 ILE HB 1 11 ASN H 1.800 . 6.000 5.720 5.431 6.006 0.006 17 0 "[ . 1 . 2]" 1
523 1 7 VAL HA 1 11 ASN H 1.800 . 5.000 4.513 4.134 4.913 . 0 0 "[ . 1 . 2]" 1
524 1 12 LYS H 1 14 ARG H 1.800 . 6.000 4.270 3.273 6.020 0.020 8 0 "[ . 1 . 2]" 1
525 1 10 ALA MB 1 12 LYS H 1.800 . 6.000 5.463 4.348 6.028 0.028 12 0 "[ . 1 . 2]" 1
526 1 9 LYS HA 1 12 LYS H 1.800 . 6.000 5.212 3.295 6.064 0.064 10 0 "[ . 1 . 2]" 1
527 1 9 LYS HA 1 12 LYS QB 1.800 . 5.000 3.909 2.531 5.171 0.171 16 0 "[ . 1 . 2]" 1
528 1 9 LYS HA 1 12 LYS QG 1.800 . 6.000 4.359 2.268 5.867 . 0 0 "[ . 1 . 2]" 1
529 1 9 LYS HA 1 12 LYS QD 1.800 . 6.000 3.731 2.325 5.778 . 0 0 "[ . 1 . 2]" 1
530 1 9 LYS HA 1 12 LYS QE 1.800 . 6.000 4.261 2.677 6.087 0.087 3 0 "[ . 1 . 2]" 1
531 1 8 ILE HA 1 12 LYS H 1.800 . 6.000 5.208 2.922 6.068 0.068 6 0 "[ . 1 . 2]" 1
532 1 8 ILE MG 1 12 LYS QD 1.800 . 5.000 3.636 2.168 4.956 . 0 0 "[ . 1 . 2]" 1
533 1 8 ILE MG 1 12 LYS QE 1.800 . 5.000 4.135 2.125 5.046 0.046 8 0 "[ . 1 . 2]" 1
534 1 13 GLY H 1 15 GLU H 1.800 . 6.000 5.875 4.440 6.260 0.260 14 0 "[ . 1 . 2]" 1
535 1 12 LYS HA 1 14 ARG H 1.800 . 4.200 4.067 3.286 4.393 0.193 20 0 "[ . 1 . 2]" 1
536 1 11 ASN HA 1 14 ARG H 1.800 . 6.000 5.280 4.249 6.046 0.046 5 0 "[ . 1 . 2]" 1
537 1 11 ASN QB 1 14 ARG H 1.800 . 6.000 4.562 2.773 6.015 0.015 14 0 "[ . 1 . 2]" 1
538 1 14 ARG H 1 16 GLY H 1.800 . 6.000 5.710 4.149 6.051 0.051 9 0 "[ . 1 . 2]" 1
539 1 14 ARG QG 1 16 GLY H 1.800 . 6.000 4.518 2.248 6.171 0.171 19 0 "[ . 1 . 2]" 1
540 1 15 GLU HA 1 17 LYS H 1.800 . 6.000 5.278 4.206 6.201 0.201 14 0 "[ . 1 . 2]" 1
541 1 14 ARG HE 1 17 LYS H 1.800 . 6.000 5.236 2.355 6.088 0.088 9 0 "[ . 1 . 2]" 1
542 1 20 ILE MG 1 22 LEU MD1 1.800 . 5.000 3.821 2.014 5.123 0.123 19 0 "[ . 1 . 2]" 1
543 1 20 ILE MG 1 22 LEU MD2 1.800 . 6.000 4.443 2.947 5.135 . 0 0 "[ . 1 . 2]" 1
544 1 21 SER H 1 24 ASP H 1.800 . 6.000 5.137 4.855 5.381 . 0 0 "[ . 1 . 2]" 1
545 1 21 SER H 1 25 GLY H 1.800 . 6.000 4.732 4.360 5.037 . 0 0 "[ . 1 . 2]" 1
546 1 22 LEU H 1 24 ASP H 1.800 . 6.000 4.670 4.517 4.967 . 0 0 "[ . 1 . 2]" 1
547 1 20 ILE MG 1 22 LEU H 1.800 . 6.000 3.440 3.179 3.614 . 0 0 "[ . 1 . 2]" 1
548 1 20 ILE MD 1 22 LEU H 1.800 . 6.000 5.985 5.867 6.078 0.078 8 0 "[ . 1 . 2]" 1
549 1 19 MET ME 1 22 LEU MD1 1.800 . 5.000 4.477 3.284 5.050 0.050 5 0 "[ . 1 . 2]" 1
550 1 19 MET ME 1 22 LEU MD2 1.800 . 6.000 5.356 3.562 6.062 0.062 12 0 "[ . 1 . 2]" 1
551 1 23 VAL H 1 25 GLY QA 1.800 . 6.000 4.772 4.588 4.905 . 0 0 "[ . 1 . 2]" 1
552 1 23 VAL H 1 25 GLY H 1.800 . 6.000 3.406 3.312 3.523 . 0 0 "[ . 1 . 2]" 1
553 1 21 SER HA 1 23 VAL H 1.800 . 6.000 3.228 3.126 3.317 . 0 0 "[ . 1 . 2]" 1
554 1 21 SER QB 1 23 VAL H 1.800 . 6.000 3.209 2.578 3.849 . 0 0 "[ . 1 . 2]" 1
555 1 21 SER QB 1 24 ASP H 1.800 . 5.000 3.196 2.716 3.637 . 0 0 "[ . 1 . 2]" 1
556 1 22 LEU HA 1 24 ASP H 1.800 . 6.000 4.002 3.842 4.201 . 0 0 "[ . 1 . 2]" 1
557 1 24 ASP H 1 26 GLU QG 1.800 . 6.000 4.786 3.639 6.141 0.141 4 0 "[ . 1 . 2]" 1
558 1 24 ASP QB 1 26 GLU QG 1.800 . 6.000 3.277 2.282 5.340 . 0 0 "[ . 1 . 2]" 1
559 1 21 SER HA 1 25 GLY H 1.800 . 6.000 4.993 4.689 5.388 . 0 0 "[ . 1 . 2]" 1
560 1 21 SER QB 1 25 GLY H 1.800 . 5.000 3.843 3.383 4.496 . 0 0 "[ . 1 . 2]" 1
561 1 22 LEU HA 1 25 GLY H 1.800 . 6.000 2.828 2.640 3.227 . 0 0 "[ . 1 . 2]" 1
562 1 22 LEU H 1 25 GLY H 1.800 . 6.000 4.461 4.308 4.714 . 0 0 "[ . 1 . 2]" 1
563 1 23 VAL HA 1 25 GLY H 1.800 . 6.000 4.515 4.379 4.801 . 0 0 "[ . 1 . 2]" 1
564 1 23 VAL HB 1 25 GLY H 1.800 . 4.200 4.230 4.159 4.265 0.065 12 0 "[ . 1 . 2]" 1
565 1 23 VAL QG 1 25 GLY H 1.800 . 6.000 4.314 4.264 4.348 . 0 0 "[ . 1 . 2]" 1
566 1 22 LEU HA 1 26 GLU H 1.800 . 6.000 4.512 4.224 4.966 . 0 0 "[ . 1 . 2]" 1
567 1 23 VAL QG 1 26 GLU H 1.800 . 6.000 5.843 5.223 6.075 0.075 9 0 "[ . 1 . 2]" 1
568 1 23 VAL QG 1 26 GLU QB 1.800 . 6.000 5.766 4.984 6.069 0.069 1 0 "[ . 1 . 2]" 1
569 1 24 ASP H 1 26 GLU H 1.800 . 5.000 4.100 3.097 4.465 . 0 0 "[ . 1 . 2]" 1
570 1 22 LEU H 1 26 GLU H 1.800 . 6.000 5.339 5.058 5.948 . 0 0 "[ . 1 . 2]" 1
571 1 28 ILE H 1 31 THR H 1.800 . 6.000 6.030 5.566 6.234 0.234 15 0 "[ . 1 . 2]" 1
572 1 28 ILE H 1 31 THR MG 1.800 . 6.000 5.850 5.160 6.071 0.071 5 0 "[ . 1 . 2]" 1
573 1 28 ILE HB 1 31 THR MG 1.800 . 5.000 3.688 2.936 3.913 . 0 0 "[ . 1 . 2]" 1
574 1 28 ILE MG 1 31 THR MG 1.800 . 4.200 2.466 1.994 3.228 . 0 0 "[ . 1 . 2]" 1
575 1 28 ILE MG 1 31 THR HB 1.800 . 6.000 3.193 2.064 4.226 . 0 0 "[ . 1 . 2]" 1
576 1 28 ILE MD 1 31 THR MG 1.800 . 4.200 3.103 2.202 4.237 0.037 3 0 "[ . 1 . 2]" 1
577 1 29 LYS H 1 31 THR H 1.800 . 6.000 5.131 3.865 5.609 . 0 0 "[ . 1 . 2]" 1
578 1 30 GLY H 1 32 VAL H 1.800 . 6.000 6.048 5.981 6.128 0.128 19 0 "[ . 1 . 2]" 1
579 1 30 GLY H 1 32 VAL QG 1.800 . 6.000 4.957 4.490 5.562 . 0 0 "[ . 1 . 2]" 1
580 1 29 LYS HA 1 31 THR H 1.800 . 3.500 3.562 3.461 3.672 0.172 15 0 "[ . 1 . 2]" 1
581 1 29 LYS QB 1 31 THR H 1.800 . 6.000 5.062 4.927 5.352 . 0 0 "[ . 1 . 2]" 1
582 1 28 ILE MG 1 31 THR H 1.800 . 5.000 3.468 2.640 4.359 . 0 0 "[ . 1 . 2]" 1
583 1 28 ILE HA 1 31 THR MG 1.800 . 6.000 5.359 4.730 6.108 0.108 15 0 "[ . 1 . 2]" 1
584 1 30 GLY QA 1 32 VAL H 1.800 . 6.000 5.742 5.550 5.970 . 0 0 "[ . 1 . 2]" 1
585 1 32 VAL H 1 34 LEU H 1.800 . 5.000 3.026 2.580 3.666 . 0 0 "[ . 1 . 2]" 1
586 1 32 VAL HA 1 34 LEU H 1.800 . 5.000 3.889 3.605 4.297 . 0 0 "[ . 1 . 2]" 1
587 1 36 ASP H 1 38 TRP HA 1.800 . 6.000 5.803 5.309 6.179 0.179 12 0 "[ . 1 . 2]" 1
588 1 36 ASP QB 1 38 TRP HD1 1.800 . 5.000 4.716 3.410 5.123 0.123 12 0 "[ . 1 . 2]" 1
589 1 36 ASP H 1 38 TRP H 1.800 . 6.000 3.385 2.893 4.158 . 0 0 "[ . 1 . 2]" 1
590 1 36 ASP HA 1 38 TRP H 1.800 . 6.000 5.003 4.349 5.774 . 0 0 "[ . 1 . 2]" 1
591 1 36 ASP HB2 1 38 TRP H 1.800 . 6.000 3.749 2.837 4.613 . 0 0 "[ . 1 . 2]" 1
592 1 36 ASP HB3 1 38 TRP H 1.800 . 6.000 4.775 3.719 5.544 . 0 0 "[ . 1 . 2]" 1
593 1 37 GLY QA 1 39 SER H 1.800 . 6.000 5.484 5.231 5.672 . 0 0 "[ . 1 . 2]" 1
594 1 37 GLY H 1 39 SER H 1.800 . 6.000 6.088 5.796 6.252 0.252 14 0 "[ . 1 . 2]" 1
595 1 43 ASP H 1 47 ILE HA 1.800 . 4.200 2.854 2.626 3.100 . 0 0 "[ . 1 . 2]" 1
596 1 43 ASP H 1 47 ILE MD 1.800 . 4.200 2.971 2.586 3.378 . 0 0 "[ . 1 . 2]" 1
597 1 43 ASP HB3 1 46 THR MG 1.800 . 6.000 4.864 4.053 5.914 . 0 0 "[ . 1 . 2]" 1
598 1 43 ASP HB3 1 46 THR HB 1.800 . 6.000 4.008 3.138 5.502 . 0 0 "[ . 1 . 2]" 1
599 1 44 GLY H 1 46 THR H 1.800 . 6.000 3.514 2.972 4.301 . 0 0 "[ . 1 . 2]" 1
600 1 44 GLY H 1 46 THR HA 1.800 . 6.000 5.765 5.463 6.078 0.078 4 0 "[ . 1 . 2]" 1
601 1 43 ASP QB 1 45 ALA H 1.800 . 6.000 4.594 2.468 5.744 . 0 0 "[ . 1 . 2]" 1
602 1 43 ASP H 1 45 ALA H 1.800 . 6.000 5.034 3.293 5.952 . 0 0 "[ . 1 . 2]" 1
603 1 43 ASP H 1 46 THR H 1.800 . 4.200 4.126 3.632 4.408 0.208 12 0 "[ . 1 . 2]" 1
604 1 43 ASP HB3 1 46 THR H 1.800 . 6.000 3.916 2.244 5.790 . 0 0 "[ . 1 . 2]" 1
605 1 43 ASP HB2 1 46 THR H 1.800 . 6.000 4.746 2.707 5.695 . 0 0 "[ . 1 . 2]" 1
606 1 43 ASP HB2 1 46 THR MG 1.800 . 6.000 5.063 3.515 6.014 0.014 14 0 "[ . 1 . 2]" 1
607 1 44 GLY QA 1 46 THR H 1.800 . 6.000 3.740 3.350 4.791 . 0 0 "[ . 1 . 2]" 1
608 1 46 THR MG 1 48 VAL H 1.800 . 6.000 4.657 4.281 4.861 . 0 0 "[ . 1 . 2]" 1
609 1 46 THR MG 1 48 VAL MG1 1.800 . 5.000 4.966 4.696 5.091 0.091 1 0 "[ . 1 . 2]" 1
610 1 46 THR MG 1 48 VAL MG2 1.800 . 5.000 3.296 2.956 3.640 . 0 0 "[ . 1 . 2]" 1
611 1 46 THR HB 1 48 VAL MG2 1.800 . 5.000 4.272 3.921 4.428 . 0 0 "[ . 1 . 2]" 1
612 1 48 VAL MG1 1 50 SER HB3 1.800 . 6.000 5.661 4.584 6.121 0.121 7 0 "[ . 1 . 2]" 1
613 1 48 VAL MG1 1 50 SER HB2 1.800 . 6.000 5.704 4.791 6.091 0.091 11 0 "[ . 1 . 2]" 1
614 1 47 ILE MG 1 49 ILE H 1.800 . 5.000 4.195 3.790 4.499 . 0 0 "[ . 1 . 2]" 1
615 1 47 ILE MG 1 49 ILE QG 1.800 . 5.000 3.672 2.161 4.769 . 0 0 "[ . 1 . 2]" 1
616 1 50 SER H 1 51 PRO HA 1.800 . 5.000 4.986 4.416 5.140 0.140 15 0 "[ . 1 . 2]" 1
617 1 50 SER H 1 53 GLU H 1.800 . 6.000 6.289 6.181 6.365 0.365 11 0 "[ . 1 . 2]" 1
618 1 50 SER QB 1 52 ALA H 1.800 . 5.000 4.497 4.036 5.092 0.092 11 0 "[ . 1 . 2]" 1
619 1 50 SER QB 1 53 GLU H 1.800 . 5.000 3.744 3.337 4.405 . 0 0 "[ . 1 . 2]" 1
620 1 53 GLU QB 1 55 THR H 1.800 . 6.000 4.542 4.082 5.032 . 0 0 "[ . 1 . 2]" 1
621 1 53 GLU QB 1 55 THR MG 1.800 . 5.000 3.164 2.630 3.957 . 0 0 "[ . 1 . 2]" 1
622 1 53 GLU QG 1 55 THR MG 1.800 . 5.000 4.080 2.493 5.016 0.016 16 0 "[ . 1 . 2]" 1
623 1 55 THR MG 1 57 LEU MD1 1.800 . 6.000 4.579 3.685 6.017 0.017 3 0 "[ . 1 . 2]" 1
624 1 55 THR MG 1 57 LEU MD2 1.800 . 5.000 4.971 4.338 5.195 0.195 8 0 "[ . 1 . 2]" 1
625 1 55 THR H 1 58 PHE QB 1.800 . 5.000 2.433 1.795 3.037 0.005 17 0 "[ . 1 . 2]" 1
626 1 55 THR MG 1 58 PHE QB 1.800 . 6.000 3.983 3.386 4.462 . 0 0 "[ . 1 . 2]" 1
627 1 55 THR MG 1 58 PHE HB3 1.800 . 6.000 5.122 3.504 6.017 0.017 3 0 "[ . 1 . 2]" 1
628 1 55 THR MG 1 58 PHE QD 1.800 . 5.000 3.542 2.414 4.964 . 0 0 "[ . 1 . 2]" 1
629 1 55 THR H 1 57 LEU H 1.800 . 6.000 3.982 2.962 5.478 . 0 0 "[ . 1 . 2]" 1
630 1 55 THR HA 1 57 LEU H 1.800 . 6.000 4.440 3.974 6.040 0.040 16 0 "[ . 1 . 2]" 1
631 1 55 THR HB 1 57 LEU H 1.800 . 5.000 4.153 3.224 5.183 0.183 17 0 "[ . 1 . 2]" 1
632 1 55 THR MG 1 57 LEU H 1.800 . 6.000 4.483 3.805 5.439 . 0 0 "[ . 1 . 2]" 1
633 1 55 THR MG 1 57 LEU QB 1.800 . 6.000 4.760 3.735 6.120 0.120 16 0 "[ . 1 . 2]" 1
634 1 56 ALA H 1 58 PHE H 1.800 . 6.000 3.696 2.758 4.463 . 0 0 "[ . 1 . 2]" 1
635 1 56 ALA HA 1 58 PHE H 1.800 . 6.000 3.672 3.494 3.884 . 0 0 "[ . 1 . 2]" 1
636 1 56 ALA MB 1 58 PHE H 1.800 . 5.000 4.190 3.878 4.321 . 0 0 "[ . 1 . 2]" 1
637 1 55 THR H 1 58 PHE H 1.800 . 5.000 3.405 2.990 4.160 . 0 0 "[ . 1 . 2]" 1
638 1 55 THR HA 1 58 PHE H 1.800 . 6.000 5.101 4.483 5.996 . 0 0 "[ . 1 . 2]" 1
639 1 55 THR HB 1 58 PHE H 1.800 . 6.000 5.640 4.798 6.157 0.157 17 0 "[ . 1 . 2]" 1
640 1 55 THR MG 1 58 PHE H 1.800 . 5.000 4.902 4.514 5.273 0.273 11 0 "[ . 1 . 2]" 1
641 1 61 LYS QG 1 63 ILE QG 1.800 . 6.000 3.511 2.745 5.339 . 0 0 "[ . 1 . 2]" 1
642 1 61 LYS QD 1 63 ILE QG 1.800 . 6.000 3.861 2.410 5.188 . 0 0 "[ . 1 . 2]" 1
643 1 61 LYS QE 1 63 ILE QG 1.800 . 6.000 3.662 2.287 6.045 0.045 12 0 "[ . 1 . 2]" 1
644 1 61 LYS QG 1 63 ILE MG 1.800 . 6.000 5.321 4.343 5.742 . 0 0 "[ . 1 . 2]" 1
645 1 61 LYS QD 1 63 ILE MG 1.800 . 6.000 5.547 4.330 6.051 0.051 6 0 "[ . 1 . 2]" 1
646 1 61 LYS QE 1 63 ILE MG 1.800 . 6.000 5.507 4.599 6.126 0.126 5 0 "[ . 1 . 2]" 1
647 1 61 LYS QE 1 63 ILE MD 1.800 . 5.000 3.691 2.390 4.804 . 0 0 "[ . 1 . 2]" 1
648 1 61 LYS QD 1 63 ILE MD 1.800 . 6.000 3.544 2.416 4.504 . 0 0 "[ . 1 . 2]" 1
649 1 61 LYS QG 1 63 ILE MD 1.800 . 6.000 4.072 3.411 4.830 . 0 0 "[ . 1 . 2]" 1
650 1 61 LYS QB 1 63 ILE MD 1.800 . 6.000 4.502 3.650 5.462 . 0 0 "[ . 1 . 2]" 1
651 1 63 ILE MG 1 65 ALA HA 1.800 . 6.000 3.822 3.486 4.297 . 0 0 "[ . 1 . 2]" 1
652 1 63 ILE MG 1 67 HIS QB 1.800 . 6.000 2.329 1.886 3.671 . 0 0 "[ . 1 . 2]" 1
653 1 63 ILE MD 1 67 HIS QB 1.800 . 6.000 3.367 2.055 4.501 . 0 0 "[ . 1 . 2]" 1
654 1 65 ALA H 1 67 HIS H 1.800 . 6.000 4.277 4.093 4.727 . 0 0 "[ . 1 . 2]" 1
655 1 64 SER QB 1 66 ALA H 1.800 . 6.000 3.039 2.689 3.420 . 0 0 "[ . 1 . 2]" 1
656 1 64 SER QB 1 66 ALA MB 1.800 . 5.000 3.313 2.921 3.790 . 0 0 "[ . 1 . 2]" 1
657 1 65 ALA HA 1 67 HIS H 1.800 . 5.000 4.417 4.283 4.683 . 0 0 "[ . 1 . 2]" 1
658 1 65 ALA HA 1 68 LEU H 1.800 . 4.200 3.352 3.128 3.539 . 0 0 "[ . 1 . 2]" 1
659 1 65 ALA HA 1 68 LEU QB 1.800 . 5.000 2.626 2.239 2.914 . 0 0 "[ . 1 . 2]" 1
660 1 65 ALA MB 1 68 LEU H 1.800 . 5.000 4.412 4.155 4.566 . 0 0 "[ . 1 . 2]" 1
661 1 65 ALA HA 1 68 LEU MD1 1.800 . 5.000 4.324 3.037 5.074 0.074 10 0 "[ . 1 . 2]" 1
662 1 65 ALA MB 1 68 LEU MD1 1.800 . 6.000 4.598 3.445 5.240 . 0 0 "[ . 1 . 2]" 1
663 1 66 ALA H 1 68 LEU H 1.800 . 5.000 4.049 3.832 4.254 . 0 0 "[ . 1 . 2]" 1
664 1 68 LEU MD1 1 71 ILE MD 1.800 . 5.000 4.037 3.530 4.881 . 0 0 "[ . 1 . 2]" 1
665 1 68 LEU MD2 1 71 ILE HA 1.800 . 5.000 4.979 4.866 5.087 0.087 13 0 "[ . 1 . 2]" 1
666 1 68 LEU MD2 1 71 ILE HB 1.800 . 5.000 2.350 2.232 2.591 . 0 0 "[ . 1 . 2]" 1
667 1 68 LEU MD2 1 71 ILE QG 1.800 . 6.000 3.300 2.355 3.655 . 0 0 "[ . 1 . 2]" 1
668 1 68 LEU MD2 1 71 ILE MD 1.800 . 5.000 2.407 1.891 3.828 . 0 0 "[ . 1 . 2]" 1
669 1 66 ALA HA 1 69 LYS H 1.800 . 5.000 3.371 3.228 3.500 . 0 0 "[ . 1 . 2]" 1
670 1 66 ALA MB 1 69 LYS H 1.800 . 5.000 4.398 4.213 4.531 . 0 0 "[ . 1 . 2]" 1
671 1 66 ALA HA 1 69 LYS QB 1.800 . 4.200 3.432 2.816 3.721 . 0 0 "[ . 1 . 2]" 1
672 1 66 ALA MB 1 69 LYS QB 1.800 . 6.000 3.964 3.766 4.163 . 0 0 "[ . 1 . 2]" 1
673 1 66 ALA MB 1 69 LYS QG 1.800 . 6.000 4.251 3.235 5.559 . 0 0 "[ . 1 . 2]" 1
674 1 66 ALA HA 1 69 LYS QD 1.800 . 4.200 3.105 2.067 4.296 0.096 1 0 "[ . 1 . 2]" 1
675 1 66 ALA MB 1 69 LYS QD 1.800 . 6.000 3.945 3.022 5.231 . 0 0 "[ . 1 . 2]" 1
676 1 66 ALA HA 1 69 LYS QE 1.800 . 6.000 3.487 2.404 5.967 . 0 0 "[ . 1 . 2]" 1
677 1 67 HIS H 1 69 LYS H 1.800 . 6.000 4.177 4.061 4.440 . 0 0 "[ . 1 . 2]" 1
678 1 67 HIS HA 1 69 LYS H 1.800 . 6.000 3.922 3.587 4.191 . 0 0 "[ . 1 . 2]" 1
679 1 67 HIS QB 1 69 LYS H 1.800 . 6.000 4.651 4.492 4.887 . 0 0 "[ . 1 . 2]" 1
680 1 66 ALA HA 1 70 ILE H 1.800 . 6.000 5.197 4.924 5.388 . 0 0 "[ . 1 . 2]" 1
681 1 67 HIS HA 1 70 ILE H 1.800 . 4.200 3.114 2.922 3.298 . 0 0 "[ . 1 . 2]" 1
682 1 67 HIS HA 1 70 ILE MG 1.800 . 6.000 4.432 3.490 4.735 . 0 0 "[ . 1 . 2]" 1
683 1 67 HIS QB 1 70 ILE MD 1.800 . 6.000 3.458 2.723 4.548 . 0 0 "[ . 1 . 2]" 1
684 1 68 LEU H 1 70 ILE H 1.800 . 6.000 4.142 3.982 4.223 . 0 0 "[ . 1 . 2]" 1
685 1 70 ILE QG 1 73 LYS QD 1.800 . 4.200 3.360 2.729 4.230 0.030 6 0 "[ . 1 . 2]" 1
686 1 70 ILE QG 1 73 LYS QG 1.800 . 4.200 4.288 3.997 4.420 0.220 20 0 "[ . 1 . 2]" 1
687 1 70 ILE MG 1 73 LYS QD 1.800 . 6.000 3.939 2.986 5.421 . 0 0 "[ . 1 . 2]" 1
688 1 70 ILE MG 1 73 LYS QG 1.800 . 6.000 4.346 3.198 5.891 . 0 0 "[ . 1 . 2]" 1
689 1 70 ILE MG 1 73 LYS QB 1.800 . 5.000 3.734 3.119 5.052 0.052 18 0 "[ . 1 . 2]" 1
690 1 70 ILE MG 1 74 ASN QB 1.800 . 5.000 3.550 2.662 4.509 . 0 0 "[ . 1 . 2]" 1
691 1 68 LEU HA 1 71 ILE H 1.800 . 6.000 3.325 3.201 3.458 . 0 0 "[ . 1 . 2]" 1
692 1 68 LEU HA 1 71 ILE HB 1.800 . 5.000 3.251 2.959 3.487 . 0 0 "[ . 1 . 2]" 1
693 1 68 LEU MD1 1 71 ILE H 1.800 . 6.000 4.702 3.928 6.088 0.088 12 0 "[ . 1 . 2]" 1
694 1 68 LEU MD2 1 71 ILE H 1.800 . 6.000 3.767 3.540 3.969 . 0 0 "[ . 1 . 2]" 1
695 1 68 LEU MD1 1 71 ILE HB 1.800 . 6.000 3.729 2.673 5.094 . 0 0 "[ . 1 . 2]" 1
696 1 68 LEU MD1 1 71 ILE QG 1.800 . 6.000 4.921 3.595 5.881 . 0 0 "[ . 1 . 2]" 1
697 1 68 LEU HA 1 71 ILE MG 1.800 . 5.000 4.542 4.359 4.730 . 0 0 "[ . 1 . 2]" 1
698 1 68 LEU QB 1 71 ILE MG 1.800 . 6.000 5.543 5.350 5.677 . 0 0 "[ . 1 . 2]" 1
699 1 68 LEU MD1 1 71 ILE MG 1.800 . 5.000 4.239 3.247 5.191 0.191 17 0 "[ . 1 . 2]" 1
700 1 68 LEU MD2 1 71 ILE MG 1.800 . 5.000 3.087 2.961 3.286 . 0 0 "[ . 1 . 2]" 1
701 1 68 LEU HA 1 71 ILE MD 1.800 . 4.200 2.430 2.263 4.235 0.035 8 0 "[ . 1 . 2]" 1
702 1 68 LEU QB 1 71 ILE MD 1.800 . 6.000 4.077 3.751 5.729 . 0 0 "[ . 1 . 2]" 1
703 1 69 LYS H 1 71 ILE H 1.800 . 6.000 4.238 4.092 4.414 . 0 0 "[ . 1 . 2]" 1
704 1 69 LYS QG 1 71 ILE H 1.800 . 6.000 5.582 5.123 6.041 0.041 13 0 "[ . 1 . 2]" 1
705 1 71 ILE MG 1 75 LEU QB 1.800 . 5.000 3.583 2.725 4.499 . 0 0 "[ . 1 . 2]" 1
706 1 68 LEU HA 1 72 ALA MB 1.800 . 6.000 5.738 5.515 5.963 . 0 0 "[ . 1 . 2]" 1
707 1 68 LEU HA 1 72 ALA H 1.800 . 6.000 4.895 4.642 5.142 . 0 0 "[ . 1 . 2]" 1
708 1 69 LYS HA 1 72 ALA H 1.800 . 5.000 3.328 3.110 3.700 . 0 0 "[ . 1 . 2]" 1
709 1 69 LYS HA 1 72 ALA MB 1.800 . 4.200 2.928 2.480 3.399 . 0 0 "[ . 1 . 2]" 1
710 1 69 LYS QB 1 72 ALA MB 1.800 . 6.000 4.050 3.662 4.911 . 0 0 "[ . 1 . 2]" 1
711 1 69 LYS QG 1 72 ALA MB 1.800 . 6.000 4.237 3.233 4.993 . 0 0 "[ . 1 . 2]" 1
712 1 70 ILE H 1 72 ALA H 1.800 . 6.000 4.302 4.164 4.564 . 0 0 "[ . 1 . 2]" 1
713 1 70 ILE HA 1 72 ALA H 1.800 . 6.000 4.318 4.130 4.529 . 0 0 "[ . 1 . 2]" 1
714 1 72 ALA H 1 74 ASN H 1.800 . 6.000 4.400 4.206 4.698 . 0 0 "[ . 1 . 2]" 1
715 1 72 ALA H 1 75 LEU H 1.800 . 6.000 5.262 5.024 5.431 . 0 0 "[ . 1 . 2]" 1
716 1 72 ALA H 1 76 LEU MD2 1.800 . 6.000 5.584 4.598 6.172 0.172 16 0 "[ . 1 . 2]" 1
717 1 71 ILE H 1 73 LYS H 1.800 . 6.000 4.253 4.035 4.644 . 0 0 "[ . 1 . 2]" 1
718 1 73 LYS H 1 75 LEU H 1.800 . 6.000 4.723 4.242 5.048 . 0 0 "[ . 1 . 2]" 1
719 1 69 LYS HA 1 73 LYS H 1.800 . 6.000 4.485 4.249 4.751 . 0 0 "[ . 1 . 2]" 1
720 1 70 ILE HA 1 73 LYS H 1.800 . 4.200 3.325 2.939 3.758 . 0 0 "[ . 1 . 2]" 1
721 1 70 ILE HA 1 73 LYS QB 1.800 . 4.200 2.962 2.249 4.228 0.028 10 0 "[ . 1 . 2]" 1
722 1 70 ILE MG 1 73 LYS H 1.800 . 5.000 4.495 4.266 4.987 . 0 0 "[ . 1 . 2]" 1
723 1 70 ILE QG 1 73 LYS QB 1.800 . 6.000 4.235 3.165 5.546 . 0 0 "[ . 1 . 2]" 1
724 1 70 ILE HA 1 73 LYS QG 1.800 . 6.000 3.012 2.282 4.516 . 0 0 "[ . 1 . 2]" 1
725 1 72 ALA HA 1 74 ASN H 1.800 . 6.000 4.616 4.187 4.982 . 0 0 "[ . 1 . 2]" 1
726 1 72 ALA MB 1 74 ASN H 1.800 . 6.000 4.662 4.460 4.990 . 0 0 "[ . 1 . 2]" 1
727 1 71 ILE HA 1 74 ASN H 1.800 . 5.000 3.788 3.354 4.289 . 0 0 "[ . 1 . 2]" 1
728 1 70 ILE HA 1 74 ASN H 1.800 . 6.000 4.105 3.373 4.518 . 0 0 "[ . 1 . 2]" 1
729 1 74 ASN H 1 76 LEU H 1.800 . 6.000 4.254 3.994 4.592 . 0 0 "[ . 1 . 2]" 1
730 1 73 LYS HA 1 75 LEU H 1.800 . 6.000 5.180 4.679 5.751 . 0 0 "[ . 1 . 2]" 1
731 1 72 ALA HA 1 75 LEU H 1.800 . 4.200 4.105 3.714 4.334 0.134 20 0 "[ . 1 . 2]" 1
732 1 72 ALA HA 1 75 LEU MD1 1.800 . 5.000 4.677 4.243 5.247 0.247 2 0 "[ . 1 . 2]" 1
733 1 71 ILE HA 1 75 LEU H 1.800 . 5.000 4.057 3.559 4.596 . 0 0 "[ . 1 . 2]" 1
734 1 71 ILE MG 1 75 LEU HG 1.800 . 5.000 4.403 2.565 5.004 0.004 6 0 "[ . 1 . 2]" 1
735 1 71 ILE HA 1 75 LEU MD1 1.800 . 6.000 3.626 2.749 5.482 . 0 0 "[ . 1 . 2]" 1
736 1 71 ILE HA 1 75 LEU MD2 1.800 . 6.000 4.052 2.920 4.634 . 0 0 "[ . 1 . 2]" 1
737 1 71 ILE MG 1 75 LEU MD1 1.800 . 5.000 2.939 2.203 4.168 . 0 0 "[ . 1 . 2]" 1
738 1 71 ILE MG 1 75 LEU MD2 1.800 . 5.000 2.368 1.999 3.118 . 0 0 "[ . 1 . 2]" 1
739 1 74 ASN HA 1 76 LEU H 1.800 . 6.000 4.807 4.146 5.326 . 0 0 "[ . 1 . 2]" 1
740 1 73 LYS HA 1 76 LEU H 1.800 . 5.000 4.215 3.392 4.789 . 0 0 "[ . 1 . 2]" 1
741 1 72 ALA HA 1 76 LEU H 1.800 . 5.000 3.504 2.520 4.267 . 0 0 "[ . 1 . 2]" 1
742 1 72 ALA HA 1 76 LEU QB 1.800 . 6.000 4.342 2.325 5.952 . 0 0 "[ . 1 . 2]" 1
743 1 72 ALA HA 1 76 LEU HG 1.800 . 5.000 3.546 2.237 5.063 0.063 9 0 "[ . 1 . 2]" 1
744 1 72 ALA HA 1 76 LEU MD1 1.800 . 5.000 3.987 2.443 5.146 0.146 2 0 "[ . 1 . 2]" 1
745 1 72 ALA MB 1 76 LEU MD1 1.800 . 5.000 3.553 2.024 5.022 0.022 8 0 "[ . 1 . 2]" 1
746 1 72 ALA HA 1 76 LEU MD2 1.800 . 5.000 3.229 2.241 3.908 . 0 0 "[ . 1 . 2]" 1
747 1 72 ALA MB 1 76 LEU MD2 1.800 . 5.000 3.657 2.698 4.400 . 0 0 "[ . 1 . 2]" 1
748 1 3 LEU MD1 1 52 ALA HA 1.800 . 6.000 5.238 4.652 5.682 . 0 0 "[ . 1 . 2]" 1
749 1 3 LEU MD1 1 52 ALA MB 1.800 . 5.000 3.636 3.125 4.163 . 0 0 "[ . 1 . 2]" 1
750 1 3 LEU MD2 1 52 ALA HA 1.800 . 6.000 4.182 3.725 4.869 . 0 0 "[ . 1 . 2]" 1
751 1 3 LEU MD2 1 52 ALA MB 1.800 . 5.000 2.639 2.093 3.638 . 0 0 "[ . 1 . 2]" 1
752 1 3 LEU QB 1 53 GLU QG 1.800 . 5.000 4.533 3.830 4.945 . 0 0 "[ . 1 . 2]" 1
753 1 3 LEU QB 1 53 GLU QB 1.800 . 6.000 4.975 4.157 5.833 . 0 0 "[ . 1 . 2]" 1
754 1 3 LEU HG 1 53 GLU QG 1.800 . 5.000 4.755 3.686 5.080 0.080 19 0 "[ . 1 . 2]" 1
755 1 3 LEU MD1 1 53 GLU QG 1.800 . 6.000 4.878 3.766 5.848 . 0 0 "[ . 1 . 2]" 1
756 1 3 LEU MD2 1 53 GLU HA 1.800 . 5.000 5.035 4.399 5.201 0.201 20 0 "[ . 1 . 2]" 1
757 1 3 LEU MD2 1 53 GLU QG 1.800 . 4.200 2.715 2.335 3.526 . 0 0 "[ . 1 . 2]" 1
758 1 3 LEU MD2 1 53 GLU QB 1.800 . 5.000 3.356 2.323 4.087 . 0 0 "[ . 1 . 2]" 1
759 1 4 THR HA 1 52 ALA MB 1.800 . 4.200 2.672 2.165 3.356 . 0 0 "[ . 1 . 2]" 1
760 1 4 THR MG 1 52 ALA MB 1.800 . 4.200 3.673 3.064 4.376 0.176 9 0 "[ . 1 . 2]" 1
761 1 7 VAL MG1 1 19 MET ME 1.800 . 4.200 3.338 2.961 3.927 . 0 0 "[ . 1 . 2]" 1
762 1 7 VAL MG2 1 19 MET ME 1.800 . 4.200 4.141 3.563 4.374 0.174 17 0 "[ . 1 . 2]" 1
763 1 7 VAL HA 1 22 LEU MD1 1.800 . 4.200 2.844 2.152 3.876 . 0 0 "[ . 1 . 2]" 1
764 1 7 VAL HA 1 22 LEU MD2 1.800 . 4.200 3.342 2.529 4.216 0.016 3 0 "[ . 1 . 2]" 1
765 1 7 VAL MG2 1 22 LEU HG 1.800 . 5.000 4.405 3.539 5.032 0.032 11 0 "[ . 1 . 2]" 1
766 1 7 VAL MG2 1 22 LEU MD2 1.800 . 4.200 3.350 2.165 4.137 . 0 0 "[ . 1 . 2]" 1
767 1 7 VAL QG 1 37 GLY HA2 1.800 . 6.000 5.831 5.612 5.996 . 0 0 "[ . 1 . 2]" 1
768 1 7 VAL QG 1 37 GLY HA3 1.800 . 5.000 5.020 4.778 5.146 0.146 18 0 "[ . 1 . 2]" 1
769 1 7 VAL HB 1 52 ALA MB 1.800 . 5.000 2.314 2.063 2.598 . 0 0 "[ . 1 . 2]" 1
770 1 7 VAL MG1 1 52 ALA HA 1.800 . 5.000 3.619 3.118 3.930 . 0 0 "[ . 1 . 2]" 1
771 1 7 VAL MG1 1 52 ALA MB 1.800 . 4.200 2.091 1.974 2.548 . 0 0 "[ . 1 . 2]" 1
772 1 7 VAL MG2 1 52 ALA HA 1.800 . 5.000 4.739 4.363 5.010 0.010 11 0 "[ . 1 . 2]" 1
773 1 7 VAL MG2 1 52 ALA MB 1.800 . 4.200 2.792 2.530 3.004 . 0 0 "[ . 1 . 2]" 1
774 1 8 ILE MD 1 36 ASP HB3 1.800 . 6.000 5.397 4.687 6.092 0.092 15 0 "[ . 1 . 2]" 1
775 1 8 ILE MD 1 36 ASP HB2 1.800 . 6.000 5.556 4.884 6.105 0.105 2 0 "[ . 1 . 2]" 1
776 1 8 ILE MD 1 37 GLY QA 1.800 . 6.000 5.954 5.321 6.178 0.178 20 0 "[ . 1 . 2]" 1
777 1 8 ILE MD 1 52 ALA MB 1.800 . 6.000 2.047 1.888 2.267 . 0 0 "[ . 1 . 2]" 1
778 1 10 ALA MB 1 22 LEU HA 1.800 . 5.000 4.781 4.130 5.100 0.100 18 0 "[ . 1 . 2]" 1
779 1 10 ALA MB 1 22 LEU HG 1.800 . 6.000 3.028 2.286 4.402 . 0 0 "[ . 1 . 2]" 1
780 1 10 ALA MB 1 22 LEU MD1 1.800 . 4.200 2.689 1.952 3.756 . 0 0 "[ . 1 . 2]" 1
781 1 10 ALA MB 1 22 LEU MD2 1.800 . 4.200 2.995 1.981 4.249 0.049 3 0 "[ . 1 . 2]" 1
782 1 13 GLY H 1 61 LYS QE 1.800 . 6.000 5.038 2.216 6.084 0.084 20 0 "[ . 1 . 2]" 1
783 1 15 GLU QG 1 70 ILE MD 1.800 . 5.000 4.381 3.141 5.137 0.137 5 0 "[ . 1 . 2]" 1
784 1 15 GLU QB 1 70 ILE MD 1.800 . 6.000 5.134 3.106 6.059 0.059 17 0 "[ . 1 . 2]" 1
785 1 16 GLY QA 1 32 VAL MG1 1.800 . 4.200 2.986 2.129 4.206 0.006 9 0 "[ . 1 . 2]" 1
786 1 16 GLY H 1 32 VAL MG1 1.800 . 5.000 4.512 2.696 5.139 0.139 5 0 "[ . 1 . 2]" 1
787 1 16 GLY QA 1 70 ILE MG 1.800 . 6.000 3.828 2.655 4.927 . 0 0 "[ . 1 . 2]" 1
788 1 16 GLY H 1 70 ILE MG 1.800 . 5.000 4.856 3.376 5.141 0.141 8 0 "[ . 1 . 2]" 1
789 1 17 LYS QG 1 32 VAL MG1 1.800 . 6.000 3.995 3.188 4.755 . 0 0 "[ . 1 . 2]" 1
790 1 17 LYS H 1 33 TYR H 1.800 . 6.000 5.998 5.175 6.281 0.281 5 0 "[ . 1 . 2]" 1
791 1 17 LYS H 1 70 ILE MG 1.800 . 6.000 5.261 4.634 6.072 0.072 9 0 "[ . 1 . 2]" 1
792 1 17 LYS QD 1 70 ILE MD 1.800 . 6.000 4.517 2.879 5.890 . 0 0 "[ . 1 . 2]" 1
793 1 17 LYS QD 1 70 ILE HA 1.800 . 6.000 5.847 4.565 6.112 0.112 11 0 "[ . 1 . 2]" 1
794 1 7 VAL HA 1 19 MET ME 1.800 . 6.000 5.338 4.777 5.988 . 0 0 "[ . 1 . 2]" 1
795 1 19 MET HB3 1 28 ILE MD 1.800 . 6.000 3.226 2.475 4.046 . 0 0 "[ . 1 . 2]" 1
796 1 19 MET QB 1 28 ILE QG 1.800 . 6.000 4.406 3.916 4.837 . 0 0 "[ . 1 . 2]" 1
797 1 19 MET HB2 1 28 ILE MD 1.800 . 5.000 4.672 3.970 5.098 0.098 10 0 "[ . 1 . 2]" 1
798 1 19 MET HG3 1 28 ILE MD 1.800 . 6.000 4.454 2.449 5.660 . 0 0 "[ . 1 . 2]" 1
799 1 19 MET HG2 1 28 ILE MD 1.800 . 5.000 4.080 3.072 5.048 0.048 2 0 "[ . 1 . 2]" 1
800 1 19 MET ME 1 28 ILE QG 1.800 . 6.000 5.255 4.588 5.706 . 0 0 "[ . 1 . 2]" 1
801 1 19 MET ME 1 28 ILE MG 1.800 . 5.000 4.921 3.856 5.138 0.138 12 0 "[ . 1 . 2]" 1
802 1 19 MET ME 1 28 ILE MD 1.800 . 4.200 3.412 2.711 3.868 . 0 0 "[ . 1 . 2]" 1
803 1 19 MET HB3 1 31 THR HB 1.800 . 6.000 2.806 2.291 3.812 . 0 0 "[ . 1 . 2]" 1
804 1 19 MET HB3 1 31 THR MG 1.800 . 6.000 3.383 2.298 4.167 . 0 0 "[ . 1 . 2]" 1
805 1 19 MET HB2 1 31 THR MG 1.800 . 6.000 3.837 2.301 5.045 . 0 0 "[ . 1 . 2]" 1
806 1 19 MET HG3 1 31 THR MG 1.800 . 6.000 4.420 2.268 6.052 0.052 10 0 "[ . 1 . 2]" 1
807 1 19 MET HG2 1 31 THR MG 1.800 . 6.000 4.685 3.610 6.056 0.056 19 0 "[ . 1 . 2]" 1
808 1 19 MET ME 1 31 THR HA 1.800 . 6.000 6.043 5.783 6.165 0.165 12 0 "[ . 1 . 2]" 1
809 1 19 MET ME 1 31 THR HB 1.800 . 6.000 4.195 3.699 4.868 . 0 0 "[ . 1 . 2]" 1
810 1 19 MET H 1 33 TYR H 1.800 . 6.000 5.649 5.000 6.045 0.045 1 0 "[ . 1 . 2]" 1
811 1 19 MET ME 1 52 ALA HA 1.800 . 6.000 5.956 5.634 6.134 0.134 9 0 "[ . 1 . 2]" 1
812 1 10 ALA MB 1 20 ILE MG 1.800 . 4.200 3.447 2.402 4.239 0.039 19 0 "[ . 1 . 2]" 1
813 1 10 ALA MB 1 20 ILE MD 1.800 . 4.200 4.210 3.685 4.390 0.190 15 0 "[ . 1 . 2]" 1
814 1 20 ILE MG 1 25 GLY HA3 1.800 . 5.000 4.297 3.769 5.041 0.041 4 0 "[ . 1 . 2]" 1
815 1 20 ILE MG 1 25 GLY HA2 1.800 . 5.000 3.001 2.522 3.681 . 0 0 "[ . 1 . 2]" 1
816 1 20 ILE MD 1 25 GLY HA3 1.800 . 6.000 6.019 5.620 6.118 0.118 1 0 "[ . 1 . 2]" 1
817 1 20 ILE MD 1 25 GLY HA2 1.800 . 6.000 5.002 4.716 5.140 . 0 0 "[ . 1 . 2]" 1
818 1 20 ILE MD 1 26 GLU HA 1.800 . 6.000 5.712 4.776 6.118 0.118 14 0 "[ . 1 . 2]" 1
819 1 20 ILE MG 1 27 GLU HA 1.800 . 6.000 3.618 3.113 4.526 . 0 0 "[ . 1 . 2]" 1
820 1 20 ILE MG 1 27 GLU QG 1.800 . 6.000 4.144 3.197 5.985 . 0 0 "[ . 1 . 2]" 1
821 1 20 ILE MD 1 27 GLU HA 1.800 . 4.200 3.554 2.186 4.203 0.003 9 0 "[ . 1 . 2]" 1
822 1 20 ILE MD 1 27 GLU QB 1.800 . 6.000 4.226 2.803 4.871 . 0 0 "[ . 1 . 2]" 1
823 1 20 ILE MD 1 27 GLU HG3 1.800 . 5.000 4.024 2.984 5.026 0.026 20 0 "[ . 1 . 2]" 1
824 1 20 ILE MD 1 27 GLU HG2 1.800 . 5.000 3.610 2.138 5.029 0.029 20 0 "[ . 1 . 2]" 1
825 1 20 ILE HA 1 27 GLU HA 1.800 . 4.200 3.062 2.670 3.465 . 0 0 "[ . 1 . 2]" 1
826 1 20 ILE H 1 28 ILE H 1.800 . 6.000 5.083 4.895 5.354 . 0 0 "[ . 1 . 2]" 1
827 1 21 SER H 1 26 GLU H 1.800 . 4.200 2.882 2.380 4.228 0.028 6 0 "[ . 1 . 2]" 1
828 1 21 SER H 1 26 GLU QB 1.800 . 5.000 3.872 3.301 4.755 . 0 0 "[ . 1 . 2]" 1
829 1 21 SER H 1 26 GLU QG 1.800 . 6.000 4.846 2.298 5.883 . 0 0 "[ . 1 . 2]" 1
830 1 21 SER H 1 27 GLU HA 1.800 . 6.000 4.284 3.772 4.626 . 0 0 "[ . 1 . 2]" 1
831 1 21 SER H 1 28 ILE MD 1.800 . 4.200 3.192 2.663 3.583 . 0 0 "[ . 1 . 2]" 1
832 1 6 GLU HA 1 22 LEU MD1 1.800 . 6.000 4.835 4.039 5.650 . 0 0 "[ . 1 . 2]" 1
833 1 6 GLU QB 1 22 LEU MD1 1.800 . 6.000 3.388 2.367 4.786 . 0 0 "[ . 1 . 2]" 1
834 1 6 GLU QG 1 22 LEU MD1 1.800 . 6.000 4.137 1.955 6.001 0.001 2 0 "[ . 1 . 2]" 1
835 1 6 GLU HA 1 22 LEU MD2 1.800 . 6.000 4.356 2.998 5.946 . 0 0 "[ . 1 . 2]" 1
836 1 6 GLU QB 1 22 LEU MD2 1.800 . 6.000 2.922 2.023 4.981 . 0 0 "[ . 1 . 2]" 1
837 1 6 GLU QG 1 22 LEU MD2 1.800 . 6.000 3.524 1.919 5.108 . 0 0 "[ . 1 . 2]" 1
838 1 7 VAL HB 1 22 LEU MD1 1.800 . 6.000 5.066 4.104 5.931 . 0 0 "[ . 1 . 2]" 1
839 1 7 VAL HB 1 22 LEU MD2 1.800 . 6.000 5.393 4.462 5.926 . 0 0 "[ . 1 . 2]" 1
840 1 10 ALA HA 1 22 LEU MD1 1.800 . 6.000 5.049 3.819 6.102 0.102 20 0 "[ . 1 . 2]" 1
841 1 7 VAL QG 1 23 VAL QG 1.800 . 4.200 4.250 3.951 4.360 0.160 6 0 "[ . 1 . 2]" 1
842 1 10 ALA MB 1 23 VAL QG 1.800 . 6.000 5.917 5.492 6.169 0.169 19 0 "[ . 1 . 2]" 1
843 1 20 ILE MG 1 25 GLY H 1.800 . 5.000 4.347 3.862 4.968 . 0 0 "[ . 1 . 2]" 1
844 1 20 ILE HA 1 26 GLU H 1.800 . 6.000 4.281 3.690 5.988 . 0 0 "[ . 1 . 2]" 1
845 1 20 ILE MG 1 26 GLU H 1.800 . 5.000 3.039 2.272 4.605 . 0 0 "[ . 1 . 2]" 1
846 1 21 SER HA 1 26 GLU H 1.800 . 6.000 4.959 4.621 5.718 . 0 0 "[ . 1 . 2]" 1
847 1 21 SER QB 1 26 GLU H 1.800 . 4.200 3.428 2.683 4.132 . 0 0 "[ . 1 . 2]" 1
848 1 21 SER H 1 27 GLU H 1.800 . 6.000 5.438 5.235 5.586 . 0 0 "[ . 1 . 2]" 1
849 1 20 ILE MG 1 27 GLU H 1.800 . 6.000 4.736 4.191 5.764 . 0 0 "[ . 1 . 2]" 1
850 1 20 ILE MD 1 27 GLU QG 1.800 . 6.000 3.215 2.117 4.479 . 0 0 "[ . 1 . 2]" 1
851 1 19 MET H 1 28 ILE H 1.800 . 5.000 3.439 3.093 4.022 . 0 0 "[ . 1 . 2]" 1
852 1 19 MET QB 1 28 ILE MG 1.800 . 6.000 3.621 3.280 4.042 . 0 0 "[ . 1 . 2]" 1
853 1 20 ILE HA 1 28 ILE H 1.800 . 4.200 3.358 2.789 3.877 . 0 0 "[ . 1 . 2]" 1
854 1 20 ILE MG 1 28 ILE MD 1.800 . 5.000 4.764 4.437 5.077 0.077 15 0 "[ . 1 . 2]" 1
855 1 21 SER QB 1 28 ILE MD 1.800 . 4.200 2.551 2.036 3.259 . 0 0 "[ . 1 . 2]" 1
856 1 21 SER HA 1 28 ILE MD 1.800 . 4.200 4.135 3.796 4.247 0.047 8 0 "[ . 1 . 2]" 1
857 1 19 MET ME 1 31 THR MG 1.800 . 6.000 3.778 2.665 4.792 . 0 0 "[ . 1 . 2]" 1
858 1 31 THR H 1 75 LEU MD1 1.800 . 5.000 4.141 3.281 5.018 0.018 2 0 "[ . 1 . 2]" 1
859 1 31 THR H 1 75 LEU MD2 1.800 . 6.000 5.735 3.561 6.188 0.188 12 0 "[ . 1 . 2]" 1
860 1 32 VAL HB 1 70 ILE MG 1.800 . 6.000 5.986 5.010 6.190 0.190 10 0 "[ . 1 . 2]" 1
861 1 32 VAL MG1 1 70 ILE MD 1.800 . 6.000 5.845 4.377 6.087 0.087 15 0 "[ . 1 . 2]" 1
862 1 32 VAL MG1 1 70 ILE MG 1.800 . 5.000 3.849 3.338 4.129 . 0 0 "[ . 1 . 2]" 1
863 1 32 VAL MG1 1 71 ILE HA 1.800 . 4.200 2.781 2.258 3.475 . 0 0 "[ . 1 . 2]" 1
864 1 32 VAL MG1 1 71 ILE HB 1.800 . 5.000 4.798 4.157 5.096 0.096 8 0 "[ . 1 . 2]" 1
865 1 32 VAL MG1 1 71 ILE QG 1.800 . 6.000 2.643 2.165 4.138 . 0 0 "[ . 1 . 2]" 1
866 1 32 VAL MG1 1 71 ILE MG 1.800 . 5.000 2.947 2.261 3.510 . 0 0 "[ . 1 . 2]" 1
867 1 32 VAL MG1 1 71 ILE MD 1.800 . 5.000 3.673 2.175 4.334 . 0 0 "[ . 1 . 2]" 1
868 1 32 VAL MG2 1 71 ILE HA 1.800 . 6.000 3.500 2.439 3.891 . 0 0 "[ . 1 . 2]" 1
869 1 32 VAL MG2 1 71 ILE MD 1.800 . 4.200 3.741 2.523 4.312 0.112 5 0 "[ . 1 . 2]" 1
870 1 32 VAL MG2 1 71 ILE QG 1.800 . 6.000 3.004 2.465 4.212 . 0 0 "[ . 1 . 2]" 1
871 1 32 VAL MG2 1 71 ILE MG 1.800 . 4.200 2.231 2.092 2.413 . 0 0 "[ . 1 . 2]" 1
872 1 32 VAL MG1 1 74 ASN HB3 1.800 . 4.200 3.306 2.545 4.250 0.050 1 0 "[ . 1 . 2]" 1
873 1 32 VAL MG1 1 74 ASN HB2 1.800 . 4.200 3.614 2.813 4.359 0.159 2 0 "[ . 1 . 2]" 1
874 1 32 VAL HB 1 75 LEU MD1 1.800 . 5.000 3.990 3.570 5.079 0.079 17 0 "[ . 1 . 2]" 1
875 1 32 VAL HB 1 75 LEU MD2 1.800 . 4.200 4.202 3.568 4.416 0.216 4 0 "[ . 1 . 2]" 1
876 1 32 VAL HB 1 75 LEU HG 1.800 . 6.000 6.127 5.489 6.310 0.310 7 0 "[ . 1 . 2]" 1
877 1 32 VAL QG 1 75 LEU HG 1.800 . 5.000 3.295 2.703 4.281 . 0 0 "[ . 1 . 2]" 1
878 1 32 VAL MG1 1 75 LEU MD1 1.800 . 4.200 2.537 1.869 4.435 0.235 1 0 "[ . 1 . 2]" 1
879 1 32 VAL MG1 1 75 LEU MD2 1.800 . 4.200 3.264 1.925 4.303 0.103 11 0 "[ . 1 . 2]" 1
880 1 32 VAL MG2 1 75 LEU QB 1.800 . 6.000 4.051 3.643 4.598 . 0 0 "[ . 1 . 2]" 1
881 1 32 VAL MG2 1 75 LEU MD2 1.800 . 4.200 1.946 1.870 2.355 . 0 0 "[ . 1 . 2]" 1
882 1 32 VAL H 1 75 LEU MD1 1.800 . 5.000 2.702 2.245 3.193 . 0 0 "[ . 1 . 2]" 1
883 1 19 MET HA 1 33 TYR H 1.800 . 5.000 4.304 3.758 4.891 . 0 0 "[ . 1 . 2]" 1
884 1 19 MET QB 1 33 TYR H 1.800 . 4.200 2.846 2.432 3.736 . 0 0 "[ . 1 . 2]" 1
885 1 34 LEU MD2 1 75 LEU HG 1.800 . 6.000 4.191 2.250 5.761 . 0 0 "[ . 1 . 2]" 1
886 1 34 LEU MD2 1 75 LEU MD1 1.800 . 6.000 4.248 2.385 5.805 . 0 0 "[ . 1 . 2]" 1
887 1 39 SER H 1 50 SER H 1.800 . 4.200 3.383 2.876 3.927 . 0 0 "[ . 1 . 2]" 1
888 1 39 SER H 1 50 SER QB 1.800 . 6.000 4.097 3.067 5.246 . 0 0 "[ . 1 . 2]" 1
889 1 39 SER H 1 49 ILE MG 1.800 . 6.000 4.959 3.077 6.102 0.102 11 0 "[ . 1 . 2]" 1
890 1 33 TYR QB 1 39 SER H 1.800 . 6.000 5.122 4.457 5.952 . 0 0 "[ . 1 . 2]" 1
891 1 40 ALA MB 1 47 ILE MD 1.800 . 6.000 5.058 4.711 5.365 . 0 0 "[ . 1 . 2]" 1
892 1 40 ALA MB 1 47 ILE MG 1.800 . 4.200 2.872 2.507 3.401 . 0 0 "[ . 1 . 2]" 1
893 1 40 ALA MB 1 49 ILE HA 1.800 . 5.000 2.866 2.113 3.858 . 0 0 "[ . 1 . 2]" 1
894 1 40 ALA HA 1 49 ILE HA 1.800 . 6.000 2.392 2.283 2.759 . 0 0 "[ . 1 . 2]" 1
895 1 40 ALA H 1 50 SER H 1.800 . 6.000 5.266 5.107 5.434 . 0 0 "[ . 1 . 2]" 1
896 1 41 LYS H 1 47 ILE MG 1.800 . 6.000 3.092 2.337 3.611 . 0 0 "[ . 1 . 2]" 1
897 1 41 LYS H 1 48 VAL H 1.800 . 4.200 3.373 2.999 3.899 . 0 0 "[ . 1 . 2]" 1
898 1 41 LYS H 1 48 VAL MG1 1.800 . 6.000 4.584 4.113 5.288 . 0 0 "[ . 1 . 2]" 1
899 1 41 LYS QB 1 48 VAL MG1 1.800 . 5.000 4.616 3.310 5.116 0.116 10 0 "[ . 1 . 2]" 1
900 1 41 LYS QG 1 48 VAL HB 1.800 . 6.000 2.646 2.211 4.015 . 0 0 "[ . 1 . 2]" 1
901 1 41 LYS QG 1 48 VAL MG1 1.800 . 5.000 3.715 3.194 4.991 . 0 0 "[ . 1 . 2]" 1
902 1 41 LYS QD 1 48 VAL HB 1.800 . 5.000 3.719 2.828 4.048 . 0 0 "[ . 1 . 2]" 1
903 1 41 LYS QD 1 48 VAL MG1 1.800 . 4.200 3.987 3.277 4.392 0.192 9 0 "[ . 1 . 2]" 1
904 1 41 LYS QE 1 48 VAL MG1 1.800 . 4.200 3.028 2.085 4.297 0.097 13 0 "[ . 1 . 2]" 1
905 1 41 LYS QE 1 48 VAL HB 1.800 . 6.000 2.850 2.141 4.058 . 0 0 "[ . 1 . 2]" 1
906 1 41 LYS H 1 49 ILE HA 1.800 . 4.200 3.874 3.536 4.147 . 0 0 "[ . 1 . 2]" 1
907 1 41 LYS H 1 49 ILE H 1.800 . 6.000 5.245 4.983 5.362 . 0 0 "[ . 1 . 2]" 1
908 1 41 LYS H 1 50 SER H 1.800 . 6.000 5.864 5.246 6.117 0.117 4 0 "[ . 1 . 2]" 1
909 1 42 LYS HB3 1 47 ILE MD 1.800 . 5.000 2.868 2.337 3.556 . 0 0 "[ . 1 . 2]" 1
910 1 42 LYS HB2 1 47 ILE MD 1.800 . 5.000 4.091 3.611 4.668 . 0 0 "[ . 1 . 2]" 1
911 1 42 LYS QG 1 47 ILE MD 1.800 . 4.200 2.584 2.020 3.983 . 0 0 "[ . 1 . 2]" 1
912 1 42 LYS QD 1 47 ILE MD 1.800 . 4.200 2.663 1.955 3.784 . 0 0 "[ . 1 . 2]" 1
913 1 42 LYS QE 1 47 ILE MD 1.800 . 4.200 3.485 2.238 4.124 . 0 0 "[ . 1 . 2]" 1
914 1 42 LYS H 1 48 VAL H 1.800 . 6.000 5.289 4.996 5.546 . 0 0 "[ . 1 . 2]" 1
915 1 42 LYS QD 1 68 LEU MD1 1.800 . 4.200 3.673 2.207 4.385 0.185 1 0 "[ . 1 . 2]" 1
916 1 42 LYS QD 1 68 LEU MD2 1.800 . 4.200 4.240 3.884 4.385 0.185 12 0 "[ . 1 . 2]" 1
917 1 42 LYS QE 1 68 LEU MD1 1.800 . 3.300 2.855 1.935 3.368 0.068 7 0 "[ . 1 . 2]" 1
918 1 42 LYS QE 1 68 LEU MD2 1.800 . 3.300 3.137 2.597 3.437 0.137 12 0 "[ . 1 . 2]" 1
919 1 43 ASP H 1 48 VAL QG 1.800 . 4.200 3.889 3.580 4.317 0.117 20 0 "[ . 1 . 2]" 1
920 1 43 ASP QB 1 48 VAL MG2 1.800 . 5.000 2.890 2.451 3.680 . 0 0 "[ . 1 . 2]" 1
921 1 45 ALA MB 1 65 ALA MB 1.800 . 4.200 3.420 2.654 4.248 0.048 20 0 "[ . 1 . 2]" 1
922 1 45 ALA H 1 65 ALA MB 1.800 . 6.000 4.225 3.231 5.040 . 0 0 "[ . 1 . 2]" 1
923 1 46 THR MG 1 62 HIS QB 1.800 . 4.200 2.937 2.228 3.741 . 0 0 "[ . 1 . 2]" 1
924 1 46 THR MG 1 62 HIS HA 1.800 . 4.200 3.692 2.960 4.186 . 0 0 "[ . 1 . 2]" 1
925 1 46 THR MG 1 62 HIS HD1 1.800 . 4.200 3.100 2.398 4.122 . 0 0 "[ . 1 . 2]" 1
926 1 46 THR MG 1 63 ILE HA 1.800 . 6.000 4.728 4.085 5.188 . 0 0 "[ . 1 . 2]" 1
927 1 46 THR MG 1 63 ILE MG 1.800 . 6.000 4.395 3.883 5.258 . 0 0 "[ . 1 . 2]" 1
928 1 46 THR MG 1 63 ILE MD 1.800 . 6.000 6.027 5.722 6.244 0.244 20 0 "[ . 1 . 2]" 1
929 1 46 THR MG 1 64 SER QB 1.800 . 5.000 4.660 4.090 5.098 0.098 1 0 "[ . 1 . 2]" 1
930 1 46 THR MG 1 64 SER HA 1.800 . 4.200 3.058 2.316 3.415 . 0 0 "[ . 1 . 2]" 1
931 1 40 ALA HA 1 47 ILE MG 1.800 . 6.000 4.427 3.592 4.993 . 0 0 "[ . 1 . 2]" 1
932 1 42 LYS QG 1 47 ILE MG 1.800 . 6.000 2.724 2.186 4.071 . 0 0 "[ . 1 . 2]" 1
933 1 42 LYS HA 1 47 ILE MD 1.800 . 5.000 2.328 2.155 2.547 . 0 0 "[ . 1 . 2]" 1
934 1 42 LYS HA 1 47 ILE HA 1.800 . 4.200 2.791 2.555 3.149 . 0 0 "[ . 1 . 2]" 1
935 1 47 ILE H 1 63 ILE H 1.800 . 4.200 3.746 3.145 4.154 . 0 0 "[ . 1 . 2]" 1
936 1 47 ILE HB 1 63 ILE HB 1.800 . 5.000 2.900 2.187 4.771 . 0 0 "[ . 1 . 2]" 1
937 1 47 ILE HB 1 63 ILE QG 1.800 . 6.000 4.479 4.081 4.870 . 0 0 "[ . 1 . 2]" 1
938 1 47 ILE HB 1 63 ILE MG 1.800 . 6.000 2.317 1.937 3.518 . 0 0 "[ . 1 . 2]" 1
939 1 47 ILE HB 1 63 ILE MD 1.800 . 6.000 3.764 3.194 4.309 . 0 0 "[ . 1 . 2]" 1
940 1 47 ILE QG 1 63 ILE QG 1.800 . 5.000 5.070 4.605 5.247 0.247 5 0 "[ . 1 . 2]" 1
941 1 47 ILE MG 1 63 ILE MG 1.800 . 4.200 3.273 2.637 4.242 0.042 11 0 "[ . 1 . 2]" 1
942 1 47 ILE MG 1 63 ILE MD 1.800 . 4.200 3.884 3.211 4.314 0.114 19 0 "[ . 1 . 2]" 1
943 1 47 ILE MD 1 63 ILE MG 1.800 . 5.000 3.982 3.686 4.903 . 0 0 "[ . 1 . 2]" 1
944 1 47 ILE H 1 64 SER QB 1.800 . 6.000 5.463 5.143 5.691 . 0 0 "[ . 1 . 2]" 1
945 1 47 ILE H 1 64 SER HA 1.800 . 5.000 3.854 3.346 4.118 . 0 0 "[ . 1 . 2]" 1
946 1 47 ILE QG 1 65 ALA HA 1.800 . 5.000 2.577 2.124 2.848 . 0 0 "[ . 1 . 2]" 1
947 1 47 ILE QG 1 65 ALA MB 1.800 . 4.200 3.708 2.898 4.047 . 0 0 "[ . 1 . 2]" 1
948 1 47 ILE MG 1 65 ALA HA 1.800 . 6.000 5.143 4.443 5.498 . 0 0 "[ . 1 . 2]" 1
949 1 47 ILE MG 1 65 ALA MB 1.800 . 6.000 5.658 5.060 6.004 0.004 5 0 "[ . 1 . 2]" 1
950 1 47 ILE MD 1 65 ALA HA 1.800 . 4.200 3.202 2.573 3.537 . 0 0 "[ . 1 . 2]" 1
951 1 47 ILE MD 1 65 ALA MB 1.800 . 4.200 3.438 2.978 3.858 . 0 0 "[ . 1 . 2]" 1
952 1 47 ILE MD 1 68 LEU QB 1.800 . 5.000 3.308 3.018 3.658 . 0 0 "[ . 1 . 2]" 1
953 1 40 ALA HA 1 48 VAL H 1.800 . 6.000 5.222 4.854 5.733 . 0 0 "[ . 1 . 2]" 1
954 1 41 LYS QB 1 48 VAL HB 1.800 . 6.000 3.843 2.198 4.629 . 0 0 "[ . 1 . 2]" 1
955 1 41 LYS QB 1 48 VAL MG2 1.800 . 6.000 4.652 3.135 5.362 . 0 0 "[ . 1 . 2]" 1
956 1 41 LYS HG3 1 48 VAL MG2 1.800 . 5.000 3.996 2.967 5.081 0.081 9 0 "[ . 1 . 2]" 1
957 1 41 LYS HG2 1 48 VAL MG2 1.800 . 4.200 3.784 3.412 4.244 0.044 5 0 "[ . 1 . 2]" 1
958 1 41 LYS QD 1 48 VAL MG2 1.800 . 5.000 4.201 3.477 4.641 . 0 0 "[ . 1 . 2]" 1
959 1 41 LYS QE 1 48 VAL MG2 1.800 . 3.300 2.838 2.225 3.337 0.037 8 0 "[ . 1 . 2]" 1
960 1 42 LYS HA 1 48 VAL H 1.800 . 4.200 3.561 3.153 4.023 . 0 0 "[ . 1 . 2]" 1
961 1 43 ASP HA 1 48 VAL MG2 1.800 . 5.000 4.980 4.429 5.098 0.098 12 0 "[ . 1 . 2]" 1
962 1 43 ASP HB3 1 48 VAL MG2 1.800 . 5.000 3.766 3.073 4.640 . 0 0 "[ . 1 . 2]" 1
963 1 43 ASP HB2 1 48 VAL MG2 1.800 . 4.200 3.059 2.483 4.241 0.041 14 0 "[ . 1 . 2]" 1
964 1 48 VAL MG2 1 60 ALA MB 1.800 . 5.000 4.466 4.059 4.928 . 0 0 "[ . 1 . 2]" 1
965 1 48 VAL MG1 1 60 ALA MB 1.800 . 3.300 2.655 2.206 3.299 . 0 0 "[ . 1 . 2]" 1
966 1 48 VAL HA 1 62 HIS HA 1.800 . 4.200 3.145 2.939 3.383 . 0 0 "[ . 1 . 2]" 1
967 1 48 VAL H 1 62 HIS HA 1.800 . 6.000 5.626 5.222 6.015 0.015 17 0 "[ . 1 . 2]" 1
968 1 48 VAL MG1 1 62 HIS HD1 1.800 . 4.200 3.865 3.078 4.242 0.042 1 0 "[ . 1 . 2]" 1
969 1 48 VAL MG1 1 62 HIS HA 1.800 . 4.200 4.192 3.891 4.357 0.157 19 0 "[ . 1 . 2]" 1
970 1 48 VAL MG1 1 62 HIS QB 1.800 . 6.000 5.379 5.112 5.641 . 0 0 "[ . 1 . 2]" 1
971 1 48 VAL MG2 1 62 HIS HD1 1.800 . 4.200 3.156 2.207 3.964 . 0 0 "[ . 1 . 2]" 1
972 1 48 VAL MG2 1 62 HIS HA 1.800 . 4.200 4.099 3.898 4.257 0.057 8 0 "[ . 1 . 2]" 1
973 1 48 VAL MG2 1 62 HIS QB 1.800 . 5.000 4.862 4.349 5.073 0.073 9 0 "[ . 1 . 2]" 1
974 1 40 ALA HA 1 49 ILE H 1.800 . 6.000 4.946 4.675 5.225 . 0 0 "[ . 1 . 2]" 1
975 1 40 ALA MB 1 49 ILE HB 1.800 . 6.000 3.011 2.040 5.299 . 0 0 "[ . 1 . 2]" 1
976 1 40 ALA MB 1 49 ILE HG13 1.800 . 5.000 2.938 2.283 4.695 . 0 0 "[ . 1 . 2]" 1
977 1 40 ALA MB 1 49 ILE HG12 1.800 . 6.000 2.869 2.050 4.643 . 0 0 "[ . 1 . 2]" 1
978 1 40 ALA HA 1 49 ILE MG 1.800 . 5.000 4.138 3.052 4.942 . 0 0 "[ . 1 . 2]" 1
979 1 40 ALA MB 1 49 ILE MG 1.800 . 4.200 3.092 2.120 3.767 . 0 0 "[ . 1 . 2]" 1
980 1 40 ALA HA 1 49 ILE MD 1.800 . 6.000 5.038 4.314 5.870 . 0 0 "[ . 1 . 2]" 1
981 1 40 ALA MB 1 49 ILE MD 1.800 . 4.200 3.732 3.390 4.213 0.013 4 0 "[ . 1 . 2]" 1
982 1 49 ILE H 1 61 LYS H 1.800 . 5.000 3.279 2.888 3.750 . 0 0 "[ . 1 . 2]" 1
983 1 49 ILE HB 1 61 LYS QB 1.800 . 6.000 4.486 2.395 5.997 . 0 0 "[ . 1 . 2]" 1
984 1 49 ILE MG 1 61 LYS HA 1.800 . 6.000 5.503 4.568 6.104 0.104 2 0 "[ . 1 . 2]" 1
985 1 49 ILE MG 1 61 LYS QB 1.800 . 6.000 3.160 2.409 4.250 . 0 0 "[ . 1 . 2]" 1
986 1 49 ILE MG 1 61 LYS QG 1.800 . 5.000 4.120 3.059 4.785 . 0 0 "[ . 1 . 2]" 1
987 1 49 ILE MG 1 61 LYS QD 1.800 . 4.200 3.648 2.710 4.276 0.076 9 0 "[ . 1 . 2]" 1
988 1 49 ILE MG 1 61 LYS QE 1.800 . 5.000 4.495 2.350 5.089 0.089 11 0 "[ . 1 . 2]" 1
989 1 49 ILE MD 1 61 LYS HA 1.800 . 6.000 5.727 5.083 6.206 0.206 10 0 "[ . 1 . 2]" 1
990 1 49 ILE MD 1 61 LYS QB 1.800 . 6.000 3.242 2.343 4.303 . 0 0 "[ . 1 . 2]" 1
991 1 49 ILE MD 1 61 LYS QG 1.800 . 6.000 4.099 3.600 4.688 . 0 0 "[ . 1 . 2]" 1
992 1 49 ILE MD 1 61 LYS QD 1.800 . 5.000 3.347 2.245 4.516 . 0 0 "[ . 1 . 2]" 1
993 1 49 ILE MD 1 61 LYS QE 1.800 . 6.000 4.078 2.677 5.043 . 0 0 "[ . 1 . 2]" 1
994 1 49 ILE H 1 62 HIS HA 1.800 . 4.200 3.683 3.352 4.106 . 0 0 "[ . 1 . 2]" 1
995 1 49 ILE MD 1 62 HIS HA 1.800 . 6.000 5.533 4.315 6.116 0.116 20 0 "[ . 1 . 2]" 1
996 1 40 ALA HA 1 50 SER H 1.800 . 5.000 3.683 3.171 3.899 . 0 0 "[ . 1 . 2]" 1
997 1 40 ALA MB 1 50 SER H 1.800 . 6.000 3.910 3.147 4.875 . 0 0 "[ . 1 . 2]" 1
998 1 39 SER QB 1 50 SER QB 1.800 . 4.200 3.373 2.266 4.228 0.028 3 0 "[ . 1 . 2]" 1
999 1 19 MET ME 1 52 ALA MB 1.800 . 6.000 5.180 4.760 5.557 . 0 0 "[ . 1 . 2]" 1
1000 1 33 TYR QB 1 52 ALA MB 1.800 . 5.000 4.282 3.752 5.071 0.071 11 0 "[ . 1 . 2]" 1
1001 1 33 TYR QB 1 52 ALA H 1.800 . 6.000 4.420 3.717 4.930 . 0 0 "[ . 1 . 2]" 1
1002 1 37 GLY QA 1 52 ALA MB 1.800 . 6.000 3.548 2.893 4.153 . 0 0 "[ . 1 . 2]" 1
1003 1 38 TRP HA 1 52 ALA H 1.800 . 6.000 5.041 4.649 5.362 . 0 0 "[ . 1 . 2]" 1
1004 1 33 TYR QB 1 53 GLU H 1.800 . 6.000 6.086 5.781 6.232 0.232 11 0 "[ . 1 . 2]" 1
1005 1 4 THR MG 1 53 GLU QB 1.800 . 5.000 3.079 2.190 4.967 . 0 0 "[ . 1 . 2]" 1
1006 1 4 THR MG 1 53 GLU QG 1.800 . 6.000 3.826 2.339 4.735 . 0 0 "[ . 1 . 2]" 1
1007 1 54 GLU QG 1 59 LYS HA 1.800 . 5.000 3.629 2.742 5.031 0.031 11 0 "[ . 1 . 2]" 1
1008 1 8 ILE MD 1 54 GLU QG 1.800 . 6.000 5.922 5.081 6.104 0.104 19 0 "[ . 1 . 2]" 1
1009 1 8 ILE MD 1 55 THR MG 1.800 . 6.000 5.868 5.220 6.070 0.070 16 0 "[ . 1 . 2]" 1
1010 1 4 THR HB 1 55 THR MG 1.800 . 6.000 4.263 3.519 5.471 . 0 0 "[ . 1 . 2]" 1
1011 1 4 THR MG 1 55 THR MG 1.800 . 6.000 2.836 2.171 4.045 . 0 0 "[ . 1 . 2]" 1
1012 1 4 THR MG 1 57 LEU MD1 1.800 . 6.000 5.385 4.475 6.117 0.117 18 0 "[ . 1 . 2]" 1
1013 1 8 ILE MG 1 59 LYS QD 1.800 . 6.000 4.841 2.438 6.035 0.035 14 0 "[ . 1 . 2]" 1
1014 1 8 ILE MG 1 59 LYS QE 1.800 . 5.000 4.228 2.921 4.997 . 0 0 "[ . 1 . 2]" 1
1015 1 54 GLU QB 1 59 LYS QG 1.800 . 6.000 5.942 5.548 6.140 0.140 11 0 "[ . 1 . 2]" 1
1016 1 54 GLU QG 1 59 LYS QG 1.800 . 6.000 4.727 4.372 6.044 0.044 15 0 "[ . 1 . 2]" 1
1017 1 54 GLU QG 1 59 LYS QD 1.800 . 6.000 5.876 4.846 6.158 0.158 14 0 "[ . 1 . 2]" 1
1018 1 50 SER HA 1 60 ALA H 1.800 . 6.000 5.997 5.761 6.145 0.145 20 0 "[ . 1 . 2]" 1
1019 1 50 SER HA 1 60 ALA HA 1.800 . 4.200 3.148 2.913 3.333 . 0 0 "[ . 1 . 2]" 1
1020 1 50 SER HA 1 60 ALA MB 1.800 . 4.200 4.169 3.858 4.317 0.117 10 0 "[ . 1 . 2]" 1
1021 1 50 SER HB3 1 60 ALA MB 1.800 . 5.000 4.648 3.008 5.136 0.136 10 0 "[ . 1 . 2]" 1
1022 1 54 GLU QB 1 60 ALA H 1.800 . 6.000 5.229 3.704 5.989 . 0 0 "[ . 1 . 2]" 1
1023 1 54 GLU HG3 1 60 ALA H 1.800 . 6.000 4.390 3.060 6.064 0.064 10 0 "[ . 1 . 2]" 1
1024 1 54 GLU HG2 1 60 ALA H 1.800 . 6.000 4.626 3.138 5.982 . 0 0 "[ . 1 . 2]" 1
1025 1 54 GLU QG 1 60 ALA MB 1.800 . 6.000 3.540 2.207 4.543 . 0 0 "[ . 1 . 2]" 1
1026 1 50 SER HA 1 61 LYS H 1.800 . 5.000 3.339 2.652 4.001 . 0 0 "[ . 1 . 2]" 1
1027 1 49 ILE MG 1 61 LYS H 1.800 . 5.000 4.359 3.587 5.106 0.106 11 0 "[ . 1 . 2]" 1
1028 1 46 THR MG 1 62 HIS HB3 1.800 . 5.000 2.984 2.247 3.827 . 0 0 "[ . 1 . 2]" 1
1029 1 46 THR MG 1 62 HIS HB2 1.800 . 6.000 4.400 3.660 5.272 . 0 0 "[ . 1 . 2]" 1
1030 1 46 THR MG 1 63 ILE H 1.800 . 4.200 3.110 2.379 4.072 . 0 0 "[ . 1 . 2]" 1
1031 1 47 ILE MG 1 63 ILE H 1.800 . 5.000 4.936 4.453 5.234 0.234 17 0 "[ . 1 . 2]" 1
1032 1 47 ILE MG 1 63 ILE HB 1.800 . 5.000 3.988 3.329 5.145 0.145 3 0 "[ . 1 . 2]" 1
1033 1 48 VAL HA 1 63 ILE H 1.800 . 5.000 4.126 3.573 4.755 . 0 0 "[ . 1 . 2]" 1
1034 1 48 VAL QG 1 63 ILE H 1.800 . 6.000 4.595 4.228 4.958 . 0 0 "[ . 1 . 2]" 1
1035 1 63 ILE MG 1 68 LEU HA 1.800 . 6.000 2.884 2.346 4.050 . 0 0 "[ . 1 . 2]" 1
1036 1 63 ILE MG 1 68 LEU MD2 1.800 . 4.200 3.154 2.391 4.375 0.175 12 0 "[ . 1 . 2]" 1
1037 1 63 ILE MG 1 68 LEU HG 1.800 . 4.200 3.965 2.913 4.386 0.186 10 0 "[ . 1 . 2]" 1
1038 1 63 ILE MD 1 68 LEU HA 1.800 . 6.000 3.583 3.046 3.988 . 0 0 "[ . 1 . 2]" 1
1039 1 63 ILE MD 1 68 LEU HG 1.800 . 6.000 5.235 3.961 6.029 0.029 13 0 "[ . 1 . 2]" 1
1040 1 63 ILE MD 1 68 LEU MD1 1.800 . 6.000 5.397 5.007 5.804 . 0 0 "[ . 1 . 2]" 1
1041 1 63 ILE MD 1 68 LEU MD2 1.800 . 4.200 3.681 3.204 4.309 0.109 12 0 "[ . 1 . 2]" 1
1042 1 45 ALA HA 1 65 ALA MB 1.800 . 5.000 2.558 2.246 3.095 . 0 0 "[ . 1 . 2]" 1
1043 1 46 THR H 1 65 ALA H 1.800 . 5.000 5.146 5.014 5.261 0.261 15 0 "[ . 1 . 2]" 1
1044 1 46 THR HA 1 65 ALA H 1.800 . 4.200 3.128 2.916 3.304 . 0 0 "[ . 1 . 2]" 1
1045 1 46 THR MG 1 65 ALA H 1.800 . 5.000 4.367 4.117 4.549 . 0 0 "[ . 1 . 2]" 1
1046 1 46 THR HA 1 65 ALA MB 1.800 . 6.000 3.664 3.352 3.841 . 0 0 "[ . 1 . 2]" 1
1047 1 46 THR MG 1 65 ALA MB 1.800 . 5.000 5.022 4.854 5.151 0.151 8 0 "[ . 1 . 2]" 1
1048 1 47 ILE H 1 65 ALA H 1.800 . 4.200 4.243 3.924 4.364 0.164 14 0 "[ . 1 . 2]" 1
1049 1 47 ILE MD 1 65 ALA H 1.800 . 5.000 4.844 4.506 5.097 0.097 17 0 "[ . 1 . 2]" 1
1050 1 47 ILE HB 1 65 ALA MB 1.800 . 6.000 5.842 4.962 6.085 0.085 7 0 "[ . 1 . 2]" 1
1051 1 47 ILE MD 1 68 LEU MD1 1.800 . 4.200 3.463 2.094 4.193 . 0 0 "[ . 1 . 2]" 1
1052 1 47 ILE HB 1 68 LEU MD1 1.800 . 6.000 5.319 4.062 5.941 . 0 0 "[ . 1 . 2]" 1
1053 1 47 ILE MG 1 68 LEU MD1 1.800 . 5.000 3.966 2.431 4.758 . 0 0 "[ . 1 . 2]" 1
1054 1 47 ILE QG 1 68 LEU MD1 1.800 . 4.200 3.304 2.088 3.942 . 0 0 "[ . 1 . 2]" 1
1055 1 47 ILE HB 1 68 LEU MD2 1.800 . 5.000 4.098 3.217 5.180 0.180 9 0 "[ . 1 . 2]" 1
1056 1 47 ILE MD 1 68 LEU MD2 1.800 . 4.200 3.846 3.352 4.377 0.177 17 0 "[ . 1 . 2]" 1
1057 1 47 ILE MG 1 68 LEU MD2 1.800 . 4.200 2.957 2.285 3.846 . 0 0 "[ . 1 . 2]" 1
1058 1 47 ILE QG 1 68 LEU MD2 1.800 . 4.200 2.873 2.180 3.771 . 0 0 "[ . 1 . 2]" 1
1059 1 63 ILE MD 1 68 LEU QB 1.800 . 6.000 4.452 3.119 4.862 . 0 0 "[ . 1 . 2]" 1
1060 1 63 ILE MG 1 68 LEU QB 1.800 . 4.200 2.840 2.406 3.811 . 0 0 "[ . 1 . 2]" 1
1061 1 15 GLU HA 1 70 ILE MD 1.800 . 6.000 5.500 4.218 6.108 0.108 17 0 "[ . 1 . 2]" 1
1062 1 15 GLU HA 1 70 ILE MG 1.800 . 6.000 5.587 4.320 6.150 0.150 7 0 "[ . 1 . 2]" 1
1063 1 32 VAL MG1 1 70 ILE HB 1.800 . 6.000 5.697 5.319 6.119 0.119 9 0 "[ . 1 . 2]" 1
1064 1 32 VAL MG2 1 71 ILE HB 1.800 . 6.000 4.691 4.505 4.972 . 0 0 "[ . 1 . 2]" 1
1065 1 31 THR HA 1 75 LEU MD2 1.800 . 6.000 3.753 2.682 4.523 . 0 0 "[ . 1 . 2]" 1
1066 1 32 VAL MG2 1 75 LEU MD1 1.800 . 3.300 2.050 1.767 2.442 0.033 11 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 245
_Distance_constraint_stats_list.Viol_total 437.429
_Distance_constraint_stats_list.Viol_max 0.289
_Distance_constraint_stats_list.Viol_rms 0.0568
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0288
_Distance_constraint_stats_list.Viol_average_violations_only 0.0893
_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 THR 0.306 0.120 5 0 "[ . 1 . 2]"
1 5 SER 0.260 0.049 15 0 "[ . 1 . 2]"
1 6 GLU 0.373 0.083 9 0 "[ . 1 . 2]"
1 7 VAL 0.391 0.125 8 0 "[ . 1 . 2]"
1 8 ILE 0.306 0.120 5 0 "[ . 1 . 2]"
1 9 LYS 0.260 0.049 15 0 "[ . 1 . 2]"
1 10 ALA 0.373 0.083 9 0 "[ . 1 . 2]"
1 11 ASN 0.391 0.125 8 0 "[ . 1 . 2]"
1 39 SER 5.427 0.289 7 0 "[ . 1 . 2]"
1 41 LYS 1.158 0.136 9 0 "[ . 1 . 2]"
1 47 ILE 2.719 0.203 9 0 "[ . 1 . 2]"
1 48 VAL 1.158 0.136 9 0 "[ . 1 . 2]"
1 49 ILE 2.211 0.192 9 0 "[ . 1 . 2]"
1 50 SER 5.427 0.289 7 0 "[ . 1 . 2]"
1 61 LYS 2.211 0.192 9 0 "[ . 1 . 2]"
1 63 ILE 2.719 0.203 9 0 "[ . 1 . 2]"
1 66 ALA 2.531 0.239 13 0 "[ . 1 . 2]"
1 67 HIS 0.761 0.106 11 0 "[ . 1 . 2]"
1 68 LEU 0.445 0.135 9 0 "[ . 1 . 2]"
1 69 LYS 1.345 0.200 2 0 "[ . 1 . 2]"
1 70 ILE 4.792 0.239 13 0 "[ . 1 . 2]"
1 71 ILE 1.187 0.128 10 0 "[ . 1 . 2]"
1 72 ALA 1.703 0.164 13 0 "[ . 1 . 2]"
1 73 LYS 1.345 0.200 2 0 "[ . 1 . 2]"
1 74 ASN 2.262 0.227 16 0 "[ . 1 . 2]"
1 75 LEU 0.426 0.128 10 0 "[ . 1 . 2]"
1 76 LEU 1.258 0.164 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 THR O 1 8 ILE H 2.300 2.300 2.900 2.420 2.180 2.628 0.120 5 0 "[ . 1 . 2]" 2
2 1 5 SER O 1 9 LYS H 2.300 2.300 2.900 2.369 2.251 2.569 0.049 15 0 "[ . 1 . 2]" 2
3 1 6 GLU O 1 10 ALA H 2.300 2.300 2.900 2.324 2.217 2.520 0.083 9 0 "[ . 1 . 2]" 2
4 1 7 VAL O 1 11 ASN H 2.300 2.300 2.900 2.395 2.175 2.684 0.125 8 0 "[ . 1 . 2]" 2
5 1 4 THR O 1 8 ILE N 2.400 2.400 3.500 3.338 3.126 3.536 0.036 6 0 "[ . 1 . 2]" 2
6 1 5 SER O 1 9 LYS N 2.400 2.400 3.500 3.309 3.155 3.526 0.026 7 0 "[ . 1 . 2]" 2
7 1 6 GLU O 1 10 ALA N 2.400 2.400 3.500 3.239 3.120 3.457 . 0 0 "[ . 1 . 2]" 2
8 1 7 VAL O 1 11 ASN N 2.400 2.400 3.500 3.264 2.939 3.538 0.038 1 0 "[ . 1 . 2]" 2
9 1 66 ALA O 1 70 ILE H 2.300 2.300 2.900 2.794 2.604 2.929 0.029 11 0 "[ . 1 . 2]" 2
10 1 67 HIS O 1 71 ILE H 2.300 2.300 2.900 2.629 2.429 2.755 . 0 0 "[ . 1 . 2]" 2
11 1 68 LEU O 1 72 ALA H 2.300 2.300 2.900 2.551 2.314 2.750 . 0 0 "[ . 1 . 2]" 2
12 1 69 LYS O 1 73 LYS H 2.300 2.300 2.900 2.246 2.100 2.444 0.200 2 0 "[ . 1 . 2]" 2
13 1 70 ILE O 1 74 ASN H 2.300 2.300 2.900 2.195 2.073 2.460 0.227 16 0 "[ . 1 . 2]" 2
14 1 71 ILE O 1 75 LEU H 2.300 2.300 2.900 2.385 2.172 2.594 0.128 10 0 "[ . 1 . 2]" 2
15 1 72 ALA O 1 76 LEU H 2.300 2.300 2.900 2.251 2.136 2.568 0.164 13 0 "[ . 1 . 2]" 2
16 1 66 ALA O 1 70 ILE N 2.400 2.400 3.500 3.621 3.436 3.739 0.239 13 0 "[ . 1 . 2]" 2
17 1 67 HIS O 1 71 ILE N 2.400 2.400 3.500 3.496 3.296 3.606 0.106 11 0 "[ . 1 . 2]" 2
18 1 68 LEU O 1 72 ALA N 2.400 2.400 3.500 3.457 3.221 3.635 0.135 9 0 "[ . 1 . 2]" 2
19 1 69 LYS O 1 73 LYS N 2.400 2.400 3.500 3.162 3.033 3.374 . 0 0 "[ . 1 . 2]" 2
20 1 70 ILE O 1 74 ASN N 2.400 2.400 3.500 3.147 3.022 3.390 . 0 0 "[ . 1 . 2]" 2
21 1 71 ILE O 1 75 LEU N 2.400 2.400 3.500 3.282 2.923 3.561 0.061 6 0 "[ . 1 . 2]" 2
22 1 72 ALA O 1 76 LEU N 2.400 2.400 3.500 3.017 2.769 3.281 . 0 0 "[ . 1 . 2]" 2
23 1 39 SER H 1 50 SER O 2.300 2.300 2.900 2.855 2.742 2.976 0.076 8 0 "[ . 1 . 2]" 2
24 1 39 SER N 1 50 SER O 2.400 2.400 3.500 3.720 3.588 3.789 0.289 7 0 "[ . 1 . 2]" 2
25 1 39 SER O 1 50 SER H 2.300 2.300 2.900 2.340 2.185 2.594 0.115 19 0 "[ . 1 . 2]" 2
26 1 39 SER O 1 50 SER N 2.400 2.400 3.500 3.239 2.874 3.476 . 0 0 "[ . 1 . 2]" 2
27 1 41 LYS H 1 48 VAL O 2.300 2.300 2.900 2.375 2.180 2.806 0.120 12 0 "[ . 1 . 2]" 2
28 1 41 LYS N 1 48 VAL O 2.400 2.400 3.500 3.110 2.944 3.262 . 0 0 "[ . 1 . 2]" 2
29 1 41 LYS O 1 48 VAL H 2.300 2.300 2.900 2.329 2.164 2.611 0.136 9 0 "[ . 1 . 2]" 2
30 1 41 LYS O 1 48 VAL N 2.400 2.400 3.500 3.254 3.051 3.497 . 0 0 "[ . 1 . 2]" 2
31 1 49 ILE O 1 61 LYS H 2.300 2.300 2.900 2.280 2.108 2.684 0.192 9 0 "[ . 1 . 2]" 2
32 1 49 ILE O 1 61 LYS N 2.400 2.400 3.500 3.002 2.783 3.419 . 0 0 "[ . 1 . 2]" 2
33 1 49 ILE H 1 61 LYS O 2.300 2.300 2.900 2.283 2.136 2.518 0.164 14 0 "[ . 1 . 2]" 2
34 1 49 ILE N 1 61 LYS O 2.400 2.400 3.500 3.225 3.095 3.443 . 0 0 "[ . 1 . 2]" 2
35 1 47 ILE O 1 63 ILE H 2.300 2.300 2.900 2.572 2.237 2.863 0.063 10 0 "[ . 1 . 2]" 2
36 1 47 ILE O 1 63 ILE N 2.400 2.400 3.500 3.237 3.053 3.428 . 0 0 "[ . 1 . 2]" 2
37 1 47 ILE H 1 63 ILE O 2.300 2.300 2.900 2.177 2.097 2.303 0.203 9 0 "[ . 1 . 2]" 2
38 1 47 ILE N 1 63 ILE O 2.400 2.400 3.500 3.051 2.818 3.222 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 54
_Distance_constraint_stats_list.Viol_total 68.493
_Distance_constraint_stats_list.Viol_max 0.178
_Distance_constraint_stats_list.Viol_rms 0.0380
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0214
_Distance_constraint_stats_list.Viol_average_violations_only 0.0634
_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 19 MET 2.666 0.178 12 0 "[ . 1 . 2]"
1 21 SER 0.758 0.092 16 0 "[ . 1 . 2]"
1 26 GLU 0.758 0.092 16 0 "[ . 1 . 2]"
1 28 ILE 2.666 0.178 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 MET O 1 28 ILE H 2.300 2.300 2.900 2.301 2.145 2.681 0.155 17 0 "[ . 1 . 2]" 3
2 1 19 MET O 1 28 ILE N 2.400 2.400 3.500 3.120 2.957 3.339 . 0 0 "[ . 1 . 2]" 3
3 1 19 MET H 1 28 ILE O 2.300 2.300 2.900 2.666 2.559 2.808 . 0 0 "[ . 1 . 2]" 3
4 1 19 MET N 1 28 ILE O 2.400 2.400 3.500 3.591 3.518 3.678 0.178 12 0 "[ . 1 . 2]" 3
5 1 21 SER O 1 26 GLU H 2.300 2.300 2.900 2.796 2.595 2.979 0.079 10 0 "[ . 1 . 2]" 3
6 1 21 SER O 1 26 GLU N 2.400 2.400 3.500 3.493 3.369 3.592 0.092 16 0 "[ . 1 . 2]" 3
7 1 21 SER H 1 26 GLU O 2.300 2.300 2.900 2.447 2.238 2.607 0.062 14 0 "[ . 1 . 2]" 3
8 1 21 SER N 1 26 GLU O 2.400 2.400 3.500 3.376 3.197 3.552 0.052 12 0 "[ . 1 . 2]" 3
stop_
save_
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