NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
378006 |
1gjs   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gjs
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 736
_Distance_constraint_stats_list.Viol_count 1166
_Distance_constraint_stats_list.Viol_total 3442.002
_Distance_constraint_stats_list.Viol_max 0.573
_Distance_constraint_stats_list.Viol_rms 0.0300
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0984
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 5 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 6 VAL 0.054 0.046 4 0 "[ . 1 . 2 . 3]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 ALA 0.743 0.250 22 0 "[ . 1 . 2 . 3]"
1 15 VAL 0.854 0.250 22 0 "[ . 1 . 2 . 3]"
1 16 ASP 0.175 0.128 23 0 "[ . 1 . 2 . 3]"
1 17 ALA 0.028 0.028 14 0 "[ . 1 . 2 . 3]"
1 18 ASN 0.485 0.135 1 0 "[ . 1 . 2 . 3]"
1 19 SER 1.206 0.128 23 0 "[ . 1 . 2 . 3]"
1 20 LEU 1.618 0.145 18 0 "[ . 1 . 2 . 3]"
1 21 ALA 5.636 0.183 12 0 "[ . 1 . 2 . 3]"
1 22 GLU 9.417 0.427 20 0 "[ . 1 . 2 . 3]"
1 23 ALA 0.427 0.427 20 0 "[ . 1 . 2 . 3]"
1 24 LYS 6.321 0.169 9 0 "[ . 1 . 2 . 3]"
1 25 VAL 5.028 0.400 26 0 "[ . 1 . 2 . 3]"
1 26 LEU 4.135 0.208 21 0 "[ . 1 . 2 . 3]"
1 27 ALA 0.109 0.073 9 0 "[ . 1 . 2 . 3]"
1 28 ASN 2.191 0.139 22 0 "[ . 1 . 2 . 3]"
1 29 ARG 1.562 0.400 26 0 "[ . 1 . 2 . 3]"
1 30 GLU 5.910 0.256 15 0 "[ . 1 . 2 . 3]"
1 31 LEU 14.082 0.443 5 0 "[ . 1 . 2 . 3]"
1 32 ASP 9.351 0.443 5 0 "[ . 1 . 2 . 3]"
1 33 LYS 3.089 0.156 21 0 "[ . 1 . 2 . 3]"
1 34 TYR 3.173 0.256 15 0 "[ . 1 . 2 . 3]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 36 VAL 5.287 0.197 1 0 "[ . 1 . 2 . 3]"
1 37 SER 0.849 0.241 14 0 "[ . 1 . 2 . 3]"
1 38 ASP 2.081 0.211 2 0 "[ . 1 . 2 . 3]"
1 39 TYR 4.338 0.488 29 0 "[ . 1 . 2 . 3]"
1 40 TYR 6.629 0.241 14 0 "[ . 1 . 2 . 3]"
1 41 LYS 15.297 0.573 5 1 "[ + 1 . 2 . 3]"
1 42 ASN 13.735 0.573 5 1 "[ + 1 . 2 . 3]"
1 43 LEU 1.331 0.130 21 0 "[ . 1 . 2 . 3]"
1 44 ILE 2.514 0.146 17 0 "[ . 1 . 2 . 3]"
1 45 ASN 4.185 0.169 9 0 "[ . 1 . 2 . 3]"
1 46 ASN 1.632 0.163 22 0 "[ . 1 . 2 . 3]"
1 47 ALA 1.014 0.166 13 0 "[ . 1 . 2 . 3]"
1 48 LYS 1.687 0.245 13 0 "[ . 1 . 2 . 3]"
1 49 THR 1.743 0.245 13 0 "[ . 1 . 2 . 3]"
1 50 VAL 5.820 0.277 2 0 "[ . 1 . 2 . 3]"
1 51 GLU 0.845 0.047 30 0 "[ . 1 . 2 . 3]"
1 52 GLY 0.995 0.047 30 0 "[ . 1 . 2 . 3]"
1 53 VAL 7.448 0.277 2 0 "[ . 1 . 2 . 3]"
1 54 LYS 0.236 0.083 26 0 "[ . 1 . 2 . 3]"
1 55 ALA 1.707 0.449 10 0 "[ . 1 . 2 . 3]"
1 56 LEU 13.504 0.377 26 0 "[ . 1 . 2 . 3]"
1 57 ILE 10.086 0.309 20 0 "[ . 1 . 2 . 3]"
1 58 ASP 6.910 0.314 14 0 "[ . 1 . 2 . 3]"
1 59 GLU 14.072 0.449 10 0 "[ . 1 . 2 . 3]"
1 60 ILE 11.741 0.331 10 0 "[ . 1 . 2 . 3]"
1 61 LEU 6.847 0.309 20 0 "[ . 1 . 2 . 3]"
1 62 ALA 0.316 0.169 18 0 "[ . 1 . 2 . 3]"
1 63 ALA 0.817 0.285 7 0 "[ . 1 . 2 . 3]"
1 64 LEU 1.399 0.285 7 0 "[ . 1 . 2 . 3]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 ILE H 1 4 ILE HB 4.000 . 5.000 3.050 2.439 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 4 ILE HA 1 5 PHE H 4.000 . 5.000 2.731 2.176 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 5 PHE HA 1 6 VAL H 4.000 . 5.000 2.841 2.177 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 6 VAL H 1 6 VAL HB 4.000 . 5.000 3.075 2.290 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 6 VAL H 1 6 VAL QG 4.000 . 5.500 2.210 1.754 2.944 0.046 4 0 "[ . 1 . 2 . 3]" 1
6 1 6 VAL HA 1 6 VAL QG 3.000 . 3.800 2.177 2.067 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 6 VAL HA 1 7 LEU H 4.000 . 5.000 2.623 2.179 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 7 LEU HA 1 7 LEU QD 4.000 . 5.500 2.597 1.985 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 7 LEU HA 1 7 LEU HG 4.000 . 5.000 3.056 2.305 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 12 ASP HA 1 13 GLU H 4.000 . 5.000 2.816 2.166 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 13 GLU H 1 13 GLU QG 4.000 . 5.000 2.916 2.054 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 13 GLU HA 1 14 ALA H 4.000 . 5.000 2.889 2.187 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 14 ALA H 1 14 ALA MB 3.000 . 3.800 2.414 2.208 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 14 ALA HA 1 15 VAL H 3.000 . 3.300 2.637 2.172 3.550 0.250 22 0 "[ . 1 . 2 . 3]" 1
15 1 15 VAL H 1 15 VAL HB 4.000 . 5.000 2.955 2.387 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 15 VAL H 1 15 VAL QG 4.000 . 5.500 2.098 1.756 2.578 0.044 12 0 "[ . 1 . 2 . 3]" 1
17 1 15 VAL HA 1 15 VAL QG 3.000 . 3.800 2.187 2.061 2.325 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 15 VAL HA 1 16 ASP H 4.000 . 5.000 2.746 2.170 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 15 VAL HB 1 16 ASP H 4.000 . 5.000 3.387 2.049 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 15 VAL QG 1 16 ASP H 4.000 . 5.500 2.823 1.886 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 16 ASP QB 1 19 SER QB 4.000 . 5.000 3.996 2.223 5.128 0.128 23 0 "[ . 1 . 2 . 3]" 1
22 1 17 ALA HA 1 20 LEU QB 4.000 . 5.000 3.648 2.449 5.028 0.028 14 0 "[ . 1 . 2 . 3]" 1
23 1 18 ASN HA 1 21 ALA MB 3.000 . 3.300 2.902 2.304 3.435 0.135 1 0 "[ . 1 . 2 . 3]" 1
24 1 18 ASN QB 1 19 SER H 4.000 . 5.000 2.740 1.810 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 18 ASN QB 1 19 SER HA 4.000 . 5.000 4.098 3.886 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 18 ASN QB 1 21 ALA MB 4.000 . 5.500 4.303 3.072 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 18 ASN QD 1 22 GLU H 4.000 . 5.000 4.723 3.350 5.075 0.075 8 0 "[ . 1 . 2 . 3]" 1
28 1 19 SER HA 1 19 SER QB 2.500 . 2.700 2.336 2.192 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 19 SER HA 1 22 GLU H 4.000 . 5.000 3.508 3.282 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 19 SER HA 1 22 GLU QB 4.000 . 5.000 2.640 2.281 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 19 SER HA 1 22 GLU QG 4.000 . 5.000 4.456 2.299 5.023 0.023 23 0 "[ . 1 . 2 . 3]" 1
32 1 19 SER QB 1 22 GLU H 4.000 . 5.000 4.975 4.765 5.099 0.099 29 0 "[ . 1 . 2 . 3]" 1
33 1 19 SER QB 1 22 GLU QB 4.000 . 5.000 4.278 3.712 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 19 SER QB 1 50 VAL QG 4.000 . 5.500 4.053 2.755 4.965 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 20 LEU HA 1 20 LEU QD 4.000 . 5.000 2.189 1.989 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 20 LEU HA 1 20 LEU HG 4.000 . 5.000 3.004 2.258 3.731 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 20 LEU HA 1 21 ALA H 4.000 . 5.000 3.568 3.543 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 20 LEU HA 1 23 ALA MB 4.000 . 5.500 2.866 2.376 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 20 LEU HA 1 50 VAL HA 4.000 . 5.000 4.807 4.362 5.056 0.056 14 0 "[ . 1 . 2 . 3]" 1
40 1 20 LEU HA 1 50 VAL QG 3.000 . 3.800 2.995 2.228 3.862 0.062 19 0 "[ . 1 . 2 . 3]" 1
41 1 20 LEU QB 1 20 LEU QD 2.500 . 2.700 1.942 1.900 2.068 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 20 LEU QB 1 21 ALA H 3.000 . 3.300 2.433 2.254 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 20 LEU QB 1 21 ALA HA 4.000 . 5.000 4.025 3.817 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 20 LEU QB 1 22 GLU H 4.000 . 5.000 4.705 4.437 4.962 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 20 LEU QB 1 50 VAL QG 4.000 . 5.500 3.876 2.642 4.967 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 20 LEU QD 1 21 ALA H 4.000 . 5.500 3.712 2.714 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 20 LEU QD 1 23 ALA MB 4.000 . 6.000 3.287 2.572 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 20 LEU QD 1 24 LYS H 4.000 . 5.500 4.373 3.484 5.140 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 20 LEU QD 1 24 LYS QD 4.000 . 5.500 3.748 2.487 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 20 LEU QD 1 24 LYS QE 4.000 . 5.500 2.717 2.021 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 20 LEU QD 1 24 LYS QG . . 3.800 3.344 2.437 3.945 0.145 18 0 "[ . 1 . 2 . 3]" 1
52 1 20 LEU QD 1 48 LYS HA 4.000 . 5.500 4.410 3.282 5.567 0.067 8 0 "[ . 1 . 2 . 3]" 1
53 1 20 LEU QD 1 49 THR H 4.000 . 5.500 4.406 3.615 5.076 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 20 LEU QD 1 49 THR HA 4.000 . 5.500 3.201 2.263 4.780 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 20 LEU QD 1 50 VAL H 4.000 . 5.500 3.107 2.160 4.190 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 20 LEU QD 1 50 VAL HA 4.000 . 5.500 3.248 2.518 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 20 LEU QD 1 50 VAL HB 4.000 . 5.500 3.578 2.063 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 20 LEU QD 1 50 VAL QG 2.500 . 3.700 2.285 1.813 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 20 LEU QD 1 53 VAL H 4.000 . 5.500 5.316 4.833 5.572 0.072 23 0 "[ . 1 . 2 . 3]" 1
60 1 20 LEU QD 1 53 VAL HB 4.000 . 5.500 4.928 4.185 5.480 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 20 LEU QD 1 53 VAL QG 2.500 . 3.700 3.290 2.379 3.792 0.092 18 0 "[ . 1 . 2 . 3]" 1
62 1 20 LEU HG 1 21 ALA H 4.000 . 5.000 4.166 3.261 5.013 0.013 19 0 "[ . 1 . 2 . 3]" 1
63 1 20 LEU HG 1 24 LYS QE 4.000 . 5.000 4.138 2.329 5.108 0.108 26 0 "[ . 1 . 2 . 3]" 1
64 1 21 ALA H 1 21 ALA HA 2.500 . 2.700 2.848 2.827 2.883 0.183 12 0 "[ . 1 . 2 . 3]" 1
65 1 21 ALA H 1 21 ALA MB 2.500 . 3.200 2.230 2.194 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 21 ALA HA 1 22 GLU H 4.000 . 5.000 3.566 3.515 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 21 ALA HA 1 24 LYS H 3.000 . 3.500 3.510 3.295 3.618 0.118 1 0 "[ . 1 . 2 . 3]" 1
68 1 21 ALA HA 1 24 LYS QB 3.000 . 3.300 2.883 2.484 3.192 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 21 ALA HA 1 24 LYS QD 4.000 . 5.000 3.451 2.547 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 21 ALA HA 1 24 LYS QG 4.000 . 5.000 3.753 3.184 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 21 ALA MB 1 22 GLU H 2.500 . 3.400 2.466 2.213 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 22 GLU H 1 22 GLU HA 2.500 . 2.900 2.849 2.838 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 22 GLU H 1 22 GLU QB 2.500 . 2.900 2.292 2.260 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 22 GLU H 1 22 GLU QG 4.000 . 5.000 3.929 1.764 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 22 GLU HA 1 22 GLU QB 2.500 . 2.700 2.389 2.269 2.411 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 22 GLU HA 1 22 GLU QG 3.000 . 3.300 2.467 2.313 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 22 GLU HA 1 25 VAL H 4.000 . 5.000 3.289 3.121 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 22 GLU HA 1 25 VAL HA 4.000 . 5.000 5.146 5.068 5.208 0.208 17 0 "[ . 1 . 2 . 3]" 1
79 1 22 GLU HA 1 25 VAL HB 3.000 . 3.300 2.317 2.286 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 22 GLU HA 1 25 VAL QG 4.000 . 5.500 2.930 2.771 3.098 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 22 GLU HA 1 26 LEU QB 6.000 . 8.000 4.999 4.668 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 22 GLU QB 1 23 ALA H 3.000 . 3.500 2.537 2.372 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 22 GLU QB 1 23 ALA HA 4.000 . 5.000 4.074 3.721 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 22 GLU QB 1 26 LEU QB 4.000 . 5.000 5.079 4.122 5.208 0.208 21 0 "[ . 1 . 2 . 3]" 1
85 1 22 GLU QB 1 26 LEU QD 4.000 . 5.500 3.574 2.438 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 22 GLU QG 1 23 ALA H 4.000 . 5.000 3.670 3.469 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 22 GLU QG 1 23 ALA HA 4.000 . 5.000 3.752 3.531 5.427 0.427 20 0 "[ . 1 . 2 . 3]" 1
88 1 22 GLU QG 1 26 LEU QD 4.000 . 5.500 2.116 1.963 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 22 GLU QG 1 26 LEU HG 4.000 . 5.000 2.449 2.257 5.022 0.022 20 0 "[ . 1 . 2 . 3]" 1
90 1 23 ALA H 1 23 ALA HA 2.500 . 2.900 2.843 2.816 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 23 ALA H 1 23 ALA MB 2.500 . 3.400 2.243 2.205 2.263 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 23 ALA H 1 25 VAL H 4.000 . 5.000 4.077 4.012 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 23 ALA H 1 50 VAL QG 4.000 . 5.500 4.596 4.107 5.497 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 23 ALA HA 1 24 LYS H 4.000 . 5.000 3.567 3.545 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 23 ALA HA 1 25 VAL H 4.000 . 5.000 4.512 4.332 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 23 ALA HA 1 26 LEU H 4.000 . 5.000 3.677 3.411 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 23 ALA HA 1 26 LEU QB 4.000 . 5.000 2.860 2.541 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 23 ALA HA 1 26 LEU QD 4.000 . 5.500 2.991 2.493 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 23 ALA HA 1 26 LEU HG 4.000 . 5.000 4.164 3.737 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 23 ALA HA 1 27 ALA H 4.000 . 5.000 3.906 3.724 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 23 ALA HA 1 53 VAL QG 4.000 . 5.500 4.072 3.585 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 23 ALA MB 1 24 LYS H 2.500 . 3.400 2.441 2.294 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 23 ALA MB 1 24 LYS HA 4.000 . 5.500 3.836 3.801 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 23 ALA MB 1 25 VAL H 4.000 . 5.500 4.457 4.394 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 23 ALA MB 1 50 VAL HA 4.000 . 5.500 3.700 3.103 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 23 ALA MB 1 50 VAL QG 3.000 . 4.300 2.517 1.915 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 23 ALA MB 1 53 VAL HB 4.000 . 5.500 3.458 2.954 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 23 ALA MB 1 53 VAL QG 3.000 . 4.300 2.539 2.193 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 24 LYS H 1 24 LYS HA 3.000 . 3.500 2.884 2.863 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 24 LYS H 1 24 LYS QB 2.500 . 2.900 2.375 2.336 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 24 LYS H 1 24 LYS QD 4.000 . 5.000 3.940 3.622 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 24 LYS H 1 24 LYS QE 4.000 . 5.000 4.222 3.401 5.067 0.067 11 0 "[ . 1 . 2 . 3]" 1
113 1 24 LYS H 1 24 LYS QG 4.000 . 5.000 2.303 2.177 2.380 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 24 LYS H 1 25 VAL H 3.000 . 3.700 2.607 2.575 2.675 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 24 LYS H 1 25 VAL HB 4.000 . 5.000 4.719 4.673 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 24 LYS H 1 25 VAL QG 4.000 . 5.500 4.156 4.095 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 24 LYS H 1 44 ILE MG 4.000 . 5.500 4.575 4.399 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 24 LYS H 1 53 VAL QG 4.000 . 5.500 3.630 3.444 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 24 LYS HA 1 24 LYS QD 4.000 . 5.000 3.944 3.878 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 24 LYS HA 1 25 VAL H 4.000 . 5.000 3.560 3.548 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 24 LYS HA 1 26 LEU H 4.000 . 5.000 4.681 4.555 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 24 LYS HA 1 27 ALA H 4.000 . 5.000 3.540 3.374 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 24 LYS HA 1 27 ALA MB 3.000 . 3.800 2.569 2.286 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 24 LYS HA 1 44 ILE HB 4.000 . 5.000 4.919 4.653 5.067 0.067 7 0 "[ . 1 . 2 . 3]" 1
125 1 24 LYS HA 1 44 ILE MD 4.000 . 5.500 4.241 3.689 4.950 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 24 LYS HA 1 44 ILE MG 3.000 . 3.800 2.434 2.140 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 24 LYS HA 1 53 VAL QG 3.000 . 3.800 2.714 2.369 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 24 LYS QB 1 24 LYS QD 3.000 . 3.300 2.166 2.119 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 24 LYS QB 1 24 LYS QE 4.000 . 5.000 3.198 2.140 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 24 LYS QB 1 25 VAL H 3.000 . 3.500 2.582 2.513 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 24 LYS QB 1 25 VAL QG 4.000 . 5.500 3.179 3.054 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 24 LYS QB 1 28 ASN QD 4.000 . 5.000 4.819 4.201 5.068 0.068 29 0 "[ . 1 . 2 . 3]" 1
133 1 24 LYS QB 1 44 ILE MG 4.000 . 5.500 2.458 2.236 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 24 LYS QB 1 45 ASN H 4.000 . 5.000 5.000 4.709 5.169 0.169 9 0 "[ . 1 . 2 . 3]" 1
135 1 24 LYS QB 1 45 ASN HA 4.000 . 5.000 3.622 3.109 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 24 LYS QB 1 53 VAL QG 3.000 . 3.800 3.787 3.596 3.918 0.118 12 0 "[ . 1 . 2 . 3]" 1
137 1 24 LYS QD 1 45 ASN HA 3.000 . 3.300 2.374 2.281 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 24 LYS QD 1 45 ASN QB 4.000 . 5.000 4.284 4.107 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 24 LYS QD 1 47 ALA H 4.000 . 5.000 3.998 2.889 5.084 0.084 19 0 "[ . 1 . 2 . 3]" 1
140 1 24 LYS QD 1 53 VAL QG 4.000 . 5.500 3.641 2.827 4.117 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 24 LYS QE 1 45 ASN HA 4.000 . 5.000 3.761 3.032 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 24 LYS QE 1 47 ALA H 4.000 . 5.000 3.897 2.264 5.065 0.065 22 0 "[ . 1 . 2 . 3]" 1
143 1 24 LYS QE 1 47 ALA MB 3.000 . 3.800 2.854 2.118 3.966 0.166 13 0 "[ . 1 . 2 . 3]" 1
144 1 24 LYS QE 1 53 VAL QG 4.000 . 5.500 3.285 2.427 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 24 LYS QG 1 44 ILE HA 4.000 . 5.000 4.497 4.050 5.080 0.080 9 0 "[ . 1 . 2 . 3]" 1
146 1 24 LYS QG 1 45 ASN HA 4.000 . 5.000 4.109 3.664 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 24 LYS QG 1 53 VAL HA 4.000 . 5.000 4.970 4.653 5.126 0.126 15 0 "[ . 1 . 2 . 3]" 1
148 1 24 LYS QG 1 53 VAL QG 3.000 . 3.800 2.337 2.145 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 25 VAL H 1 25 VAL HA 3.000 . 3.500 2.865 2.853 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 25 VAL H 1 25 VAL HB 2.500 . 2.900 2.417 2.398 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 25 VAL H 1 25 VAL QG 2.500 . 3.200 2.260 2.207 2.348 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 25 VAL H 1 26 LEU H 3.000 . 3.700 2.742 2.677 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 25 VAL HA 1 25 VAL QG 2.500 . 3.200 2.112 2.080 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 25 VAL HA 1 26 LEU H 4.000 . 5.000 3.579 3.561 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 25 VAL HA 1 28 ASN H 4.000 . 5.000 3.482 3.209 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 25 VAL HA 1 28 ASN QB 4.000 . 5.000 2.595 2.294 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 25 VAL HA 1 28 ASN QD 4.000 . 5.000 4.580 4.137 4.970 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 25 VAL HA 1 29 ARG QG 4.000 . 5.000 4.412 3.659 5.400 0.400 26 0 "[ . 1 . 2 . 3]" 1
159 1 25 VAL HB 1 26 LEU H 3.000 . 3.500 2.496 2.400 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 25 VAL QG 1 26 LEU H 4.000 . 5.500 3.015 2.943 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 25 VAL QG 1 29 ARG QD 4.000 . 5.500 3.638 2.520 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 25 VAL QG 1 29 ARG QG 4.000 . 5.500 3.218 2.516 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 26 LEU H 1 26 LEU HA 3.000 . 3.500 2.859 2.844 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 26 LEU H 1 26 LEU QB 2.500 . 2.900 2.396 2.350 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 26 LEU H 1 26 LEU QD 4.000 2.800 5.500 3.138 3.087 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 26 LEU H 1 26 LEU HG 3.000 . 3.500 2.302 2.217 2.383 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 26 LEU H 1 27 ALA H 3.000 . 3.700 2.701 2.642 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 26 LEU HA 1 26 LEU QD 2.500 . 3.200 2.124 2.085 2.183 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 26 LEU HA 1 26 LEU HG 3.000 . 3.300 2.905 2.747 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 26 LEU HA 1 27 ALA H 4.000 . 5.000 3.553 3.534 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 26 LEU HA 1 29 ARG H 4.000 . 5.000 3.681 3.436 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 26 LEU HA 1 29 ARG QB 4.000 . 5.000 3.416 2.656 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 26 LEU HA 1 29 ARG QD 4.000 . 5.000 3.846 2.269 5.204 0.204 26 0 "[ . 1 . 2 . 3]" 1
174 1 26 LEU HA 1 30 GLU H 4.000 . 5.000 4.593 3.952 4.842 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 26 LEU QB 1 26 LEU HG 2.500 . 2.700 2.389 2.363 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 26 LEU QB 1 27 ALA H 4.000 . 5.000 2.571 2.454 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 26 LEU QD 1 27 ALA H 4.000 . 5.500 4.099 4.030 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 26 LEU QD 1 29 ARG QB 4.000 . 5.500 4.099 3.586 5.200 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 26 LEU QD 1 29 ARG QD 4.000 . 5.500 3.825 2.353 5.165 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 26 LEU QD 1 29 ARG QG 4.000 . 5.500 3.894 3.241 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 26 LEU QD 1 30 GLU H 4.000 . 5.500 5.397 4.967 5.581 0.081 25 0 "[ . 1 . 2 . 3]" 1
182 1 26 LEU HG 1 27 ALA H 4.000 . 5.000 4.398 4.314 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 27 ALA H 1 27 ALA HA 3.000 . 3.500 2.886 2.840 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 27 ALA H 1 27 ALA MB 2.500 . 3.200 2.236 2.142 2.270 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 27 ALA HA 1 28 ASN H 4.000 . 5.000 3.541 3.482 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 27 ALA HA 1 29 ARG H 4.000 . 5.000 4.422 4.267 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 27 ALA HA 1 30 GLU H 4.000 . 5.000 3.420 3.201 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 27 ALA HA 1 30 GLU QB 4.000 . 5.000 2.850 2.345 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 27 ALA HA 1 30 GLU QG 4.000 . 5.000 3.833 2.689 5.015 0.015 14 0 "[ . 1 . 2 . 3]" 1
190 1 27 ALA HA 1 31 LEU H 4.000 . 5.000 4.668 4.269 4.941 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 27 ALA HA 1 31 LEU QD 4.000 . 5.500 4.396 4.021 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 27 ALA HA 1 57 ILE MD 4.000 . 5.500 3.833 2.886 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 27 ALA HA 1 57 ILE QG 4.000 . 5.000 3.870 3.102 5.073 0.073 9 0 "[ . 1 . 2 . 3]" 1
194 1 27 ALA MB 1 28 ASN H 3.000 . 4.000 2.562 2.080 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 27 ALA MB 1 53 VAL HB 4.000 . 5.500 4.724 4.039 5.367 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 27 ALA MB 1 53 VAL QG 3.000 . 4.300 2.365 1.883 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 27 ALA MB 1 57 ILE HB 4.000 . 5.800 4.694 4.194 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 27 ALA MB 1 57 ILE MD 2.500 . 3.700 2.300 1.855 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 28 ASN H 1 28 ASN HA 3.000 . 3.500 2.843 2.836 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 28 ASN H 1 28 ASN QB 2.500 . 2.900 2.255 2.215 2.273 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 28 ASN H 1 28 ASN QD 4.000 . 5.000 4.494 4.233 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 28 ASN H 1 29 ARG H 2.500 . 3.100 2.777 2.659 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 28 ASN H 1 30 GLU H 4.000 . 5.000 4.156 3.857 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 28 ASN H 1 44 ILE MD 4.000 . 5.500 4.681 3.597 5.562 0.062 24 0 "[ . 1 . 2 . 3]" 1
205 1 28 ASN H 1 44 ILE MG 4.000 . 5.500 3.665 2.774 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 28 ASN HA 1 28 ASN QD 4.000 . 5.000 3.326 2.763 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 28 ASN HA 1 29 ARG H 4.000 . 5.000 3.568 3.542 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 28 ASN HA 1 30 GLU H 4.000 . 5.000 4.305 4.130 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 28 ASN HA 1 31 LEU H 4.000 . 5.000 3.678 3.473 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 28 ASN HA 1 31 LEU QB 4.000 . 5.000 3.694 3.175 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 28 ASN HA 1 31 LEU QD 4.000 . 5.500 2.734 2.315 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 28 ASN HA 1 31 LEU HG 4.000 . 5.000 2.876 2.393 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 28 ASN HA 1 41 LYS QE 4.000 . 5.000 4.871 3.976 5.139 0.139 22 0 "[ . 1 . 2 . 3]" 1
214 1 28 ASN QB 1 29 ARG H 3.000 . 3.500 2.511 2.351 2.594 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 28 ASN HB2 1 44 ILE MG 4.000 . 5.500 3.615 2.535 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 28 ASN QD 1 41 LYS HA 4.000 . 5.000 3.673 2.759 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 28 ASN QD 1 41 LYS QB 4.000 . 5.000 2.207 1.773 2.969 0.027 5 0 "[ . 1 . 2 . 3]" 1
218 1 28 ASN QD 1 44 ILE HB 4.000 . 5.000 4.110 3.160 4.719 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 28 ASN QD 1 44 ILE MG 4.000 . 5.500 4.312 3.812 4.792 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 28 ASN QD 1 45 ASN H 4.000 . 5.000 4.954 4.544 5.076 0.076 14 0 "[ . 1 . 2 . 3]" 1
221 1 29 ARG H 1 29 ARG HA 2.500 . 2.900 2.864 2.839 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 29 ARG H 1 29 ARG QB 2.500 . 2.900 2.455 2.196 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 29 ARG H 1 29 ARG QD 4.000 . 5.000 3.892 3.543 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 29 ARG H 1 29 ARG QG 4.000 . 5.000 2.294 1.840 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 29 ARG H 1 30 GLU H 2.500 . 3.100 2.676 2.525 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 29 ARG H 1 31 LEU H 4.000 . 5.000 4.394 4.273 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 29 ARG HA 1 29 ARG QB 2.500 . 2.700 2.351 2.176 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 29 ARG HA 1 29 ARG QD 4.000 . 5.000 3.514 2.150 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 29 ARG HA 1 30 GLU H 4.000 . 5.000 3.534 3.462 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 29 ARG HA 1 32 ASP H 3.000 . 3.500 3.330 3.065 3.530 0.030 10 0 "[ . 1 . 2 . 3]" 1
231 1 29 ARG HA 1 32 ASP QB 3.000 . 3.300 2.509 2.118 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 29 ARG QB 1 30 GLU H 3.000 . 3.500 2.912 2.589 3.617 0.117 5 0 "[ . 1 . 2 . 3]" 1
233 1 29 ARG QG 1 30 GLU H 4.000 . 5.000 3.637 2.080 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 30 GLU H 1 30 GLU HA 2.500 . 2.900 2.844 2.832 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 30 GLU H 1 30 GLU QB 2.500 . 2.900 2.332 2.243 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 30 GLU H 1 30 GLU QG 4.000 . 5.000 3.141 2.234 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 30 GLU H 1 31 LEU H 2.500 . 3.100 2.769 2.714 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 30 GLU HA 1 30 GLU QB 2.500 . 2.700 2.399 2.366 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 30 GLU HA 1 31 LEU H 3.000 . 3.500 3.558 3.534 3.581 0.081 30 0 "[ . 1 . 2 . 3]" 1
240 1 30 GLU HA 1 33 LYS H 3.000 . 3.500 3.422 3.224 3.652 0.152 9 0 "[ . 1 . 2 . 3]" 1
241 1 30 GLU HA 1 33 LYS QB 4.000 . 5.000 3.086 2.238 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 30 GLU HA 1 33 LYS QD 4.000 . 5.000 3.746 2.257 5.049 0.049 21 0 "[ . 1 . 2 . 3]" 1
243 1 30 GLU HA 1 33 LYS QE 4.000 . 5.000 3.928 2.071 5.154 0.154 23 0 "[ . 1 . 2 . 3]" 1
244 1 30 GLU HA 1 33 LYS QG 4.000 . 5.000 3.837 2.277 5.053 0.053 17 0 "[ . 1 . 2 . 3]" 1
245 1 30 GLU QB 1 31 LEU H 4.000 . 5.000 2.553 2.363 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 30 GLU QB 1 31 LEU QB 4.000 . 5.000 4.602 4.461 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 30 GLU QB 1 31 LEU HG 4.000 . 5.000 3.364 3.056 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 30 GLU QB 1 34 TYR QD 4.000 . 5.000 3.983 2.885 5.001 0.001 5 0 "[ . 1 . 2 . 3]" 1
249 1 30 GLU QB 1 34 TYR QE 4.000 . 5.000 3.509 2.327 4.800 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 30 GLU QB 1 57 ILE MD 4.000 . 5.500 3.862 2.908 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 30 GLU QB 1 57 ILE MG 4.000 . 5.500 3.638 2.916 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 30 GLU QB 1 61 LEU QD 4.000 . 5.500 4.113 3.238 4.977 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 30 GLU QG 1 31 LEU H 4.000 . 5.000 3.902 3.428 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 30 GLU QG 1 34 TYR QD 4.000 . 5.000 4.001 2.448 5.256 0.256 15 0 "[ . 1 . 2 . 3]" 1
255 1 30 GLU QG 1 34 TYR QE 4.000 . 5.000 3.165 2.080 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 30 GLU QG 1 57 ILE MD 4.000 . 5.500 4.882 3.756 5.488 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 30 GLU QG 1 57 ILE MG 4.000 . 5.500 3.998 2.632 5.025 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 30 GLU QG 1 61 LEU QD 4.000 . 5.500 4.010 2.834 5.464 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 31 LEU H 1 31 LEU HA 3.000 . 3.500 2.868 2.841 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 31 LEU H 1 31 LEU QB 2.500 . 2.900 2.661 2.518 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 31 LEU H 1 31 LEU QD 4.000 . 5.500 2.519 2.301 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 31 LEU H 1 31 LEU HG 4.000 . 5.000 1.813 1.753 2.003 0.047 1 0 "[ . 1 . 2 . 3]" 1
263 1 31 LEU HA 1 31 LEU QD 4.000 . 5.500 2.121 2.074 2.174 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 31 LEU HA 1 31 LEU HG 4.000 . 5.000 3.306 3.137 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 31 LEU HA 1 34 TYR H 4.000 . 5.000 3.489 3.285 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 31 LEU HA 1 34 TYR QB 4.000 . 5.000 2.995 2.459 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 31 LEU HA 1 34 TYR QD 4.000 . 5.000 2.795 2.332 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 31 LEU HA 1 34 TYR QE 4.000 . 5.000 4.752 3.824 5.058 0.058 16 0 "[ . 1 . 2 . 3]" 1
269 1 31 LEU HA 1 35 GLY H 4.000 . 5.000 4.062 3.657 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 31 LEU HA 1 60 ILE MG 4.000 . 5.500 5.322 4.826 5.592 0.092 29 0 "[ . 1 . 2 . 3]" 1
271 1 31 LEU HA 1 61 LEU QD 4.000 . 5.500 4.793 4.254 5.342 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 31 LEU QB 1 32 ASP H 3.000 . 3.500 2.499 2.240 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 31 LEU QB 1 32 ASP QB 4.000 . 5.000 3.891 3.691 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 31 LEU QB 1 36 VAL HB 4.000 . 5.000 3.537 2.305 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 31 LEU QB 1 36 VAL QG 4.000 . 5.500 2.368 1.994 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 31 LEU QB 1 40 TYR QB 4.000 . 5.000 3.702 3.152 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 31 LEU QD 1 34 TYR QB 4.000 . 5.500 3.994 3.482 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 31 LEU QD 1 34 TYR QD 4.000 . 5.500 3.408 2.745 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 31 LEU QD 1 36 VAL HA 4.000 . 5.500 5.452 5.037 5.697 0.197 1 0 "[ . 1 . 2 . 3]" 1
280 1 31 LEU QD 1 36 VAL HB 4.000 . 5.500 3.763 2.681 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 31 LEU QD 1 40 TYR H 4.000 . 5.500 4.491 4.111 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 31 LEU QD 1 40 TYR QB 4.000 . 5.500 2.377 1.981 3.131 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 31 LEU QD 1 40 TYR QD 4.000 . 5.500 3.899 3.581 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 31 LEU QD 1 41 LYS H 4.000 . 5.500 3.241 2.707 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 31 LEU QD 1 57 ILE HA 4.000 . 5.500 3.796 3.331 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 31 LEU QD 1 60 ILE QG 4.000 . 5.500 4.434 3.001 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 31 LEU QD 1 61 LEU QD 2.500 . 3.700 3.631 3.028 3.786 0.086 1 0 "[ . 1 . 2 . 3]" 1
288 1 31 LEU HG 1 32 ASP QB 4.000 . 5.000 5.311 5.208 5.443 0.443 5 0 "[ . 1 . 2 . 3]" 1
289 1 32 ASP H 1 32 ASP HA 3.000 . 3.500 2.834 2.795 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 32 ASP H 1 32 ASP QB 2.500 . 2.900 2.217 2.178 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 32 ASP H 1 33 LYS H 3.000 . 3.700 2.745 2.494 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 32 ASP H 1 34 TYR H 4.000 . 5.000 4.329 4.123 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 32 ASP HA 1 33 LYS H 4.000 . 5.000 3.563 3.512 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 32 ASP HA 1 35 GLY H 4.000 . 5.000 3.336 3.025 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 32 ASP HA 1 35 GLY QA 4.000 . 5.000 3.417 2.968 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 32 ASP QB 1 33 LYS H 4.000 . 5.000 2.554 2.402 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 32 ASP QB 1 33 LYS HA 4.000 . 5.000 4.103 3.906 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 33 LYS H 1 33 LYS HA 3.000 . 3.500 2.856 2.838 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 33 LYS H 1 33 LYS QB 3.000 . 3.500 2.365 2.233 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 33 LYS H 1 33 LYS QD 4.000 . 5.000 4.277 3.533 4.792 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 33 LYS H 1 33 LYS QG 4.000 . 5.000 3.136 1.757 4.034 0.043 9 0 "[ . 1 . 2 . 3]" 1
302 1 33 LYS H 1 34 TYR H 3.000 . 3.700 2.749 2.581 2.829 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 33 LYS HA 1 33 LYS QD 4.000 . 5.000 3.925 2.285 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 33 LYS HA 1 33 LYS QE 4.000 . 5.000 4.561 3.949 5.156 0.156 21 0 "[ . 1 . 2 . 3]" 1
305 1 33 LYS HA 1 34 TYR H 4.000 . 5.000 3.572 3.545 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 33 LYS QB 1 33 LYS QE 4.000 . 5.000 2.727 2.090 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 33 LYS QB 1 34 TYR H 4.000 . 5.000 2.621 2.273 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 33 LYS QB 1 34 TYR QD 4.000 . 5.000 3.634 2.318 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 33 LYS QB 1 34 TYR QE 4.000 . 5.000 4.127 2.447 5.080 0.080 28 0 "[ . 1 . 2 . 3]" 1
310 1 33 LYS QD 1 34 TYR QE 4.000 . 5.000 4.152 3.003 5.110 0.110 12 0 "[ . 1 . 2 . 3]" 1
311 1 33 LYS QE 1 34 TYR QE 4.000 . 5.000 4.078 2.942 5.138 0.138 6 0 "[ . 1 . 2 . 3]" 1
312 1 33 LYS QG 1 34 TYR H 4.000 . 5.000 3.361 1.816 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 34 TYR H 1 34 TYR HA 3.000 . 3.500 2.901 2.866 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 34 TYR H 1 34 TYR QB 3.000 . 3.500 2.413 2.294 2.643 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 34 TYR H 1 34 TYR QD 4.000 . 5.000 2.689 1.842 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 34 TYR H 1 35 GLY H 2.500 . 3.100 2.529 2.182 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 34 TYR H 1 36 VAL QG 4.000 . 5.500 3.857 3.292 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 34 TYR HA 1 34 TYR QD 4.000 . 5.000 2.466 2.143 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 34 TYR HA 1 36 VAL H 4.000 . 5.000 4.805 4.256 5.055 0.055 15 0 "[ . 1 . 2 . 3]" 1
320 1 34 TYR QB 1 34 TYR QE 4.000 . 5.000 3.977 3.961 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 34 TYR QB 1 35 GLY H 4.000 . 5.000 2.804 2.552 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 34 TYR QB 1 36 VAL H 4.000 . 5.000 2.857 2.454 3.180 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 34 TYR QB 1 36 VAL QG 4.000 . 5.500 2.153 2.013 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 34 TYR QB 1 64 LEU QD 4.000 . 5.500 3.822 2.930 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 34 TYR QD 1 35 GLY H 4.000 . 5.000 4.356 3.698 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 34 TYR QD 1 57 ILE MG 4.000 . 5.500 5.082 4.097 5.573 0.073 12 0 "[ . 1 . 2 . 3]" 1
327 1 34 TYR QD 1 61 LEU QD 4.000 . 5.500 3.376 2.258 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 34 TYR QE 1 61 LEU QD 4.000 . 5.500 2.753 2.190 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 35 GLY H 1 35 GLY QA 2.500 . 2.900 2.296 2.241 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 35 GLY H 1 36 VAL H 4.000 . 5.000 2.355 2.004 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 35 GLY H 1 36 VAL QG 4.000 . 5.500 3.217 2.902 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 35 GLY QA 1 36 VAL H 4.000 . 5.000 2.853 2.772 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 35 GLY QA 1 36 VAL QG 4.000 . 5.500 3.759 3.509 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 36 VAL H 1 36 VAL HB 3.000 . 3.500 3.155 2.366 3.648 0.148 2 0 "[ . 1 . 2 . 3]" 1
335 1 36 VAL H 1 36 VAL QG 3.000 . 4.000 1.805 1.736 2.372 0.064 1 0 "[ . 1 . 2 . 3]" 1
336 1 36 VAL H 1 37 SER H 4.000 . 5.000 4.453 2.788 4.702 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 36 VAL HA 1 36 VAL HB 3.000 . 3.300 2.750 2.384 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 36 VAL HA 1 36 VAL QG 3.000 . 3.800 2.196 2.087 2.383 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 36 VAL HA 1 37 SER H 2.500 . 2.900 2.607 2.410 3.083 0.183 14 0 "[ . 1 . 2 . 3]" 1
340 1 36 VAL HA 1 40 TYR QD 4.000 . 5.000 4.811 3.809 5.127 0.127 23 0 "[ . 1 . 2 . 3]" 1
341 1 36 VAL HB 1 37 SER H 4.000 . 5.000 2.988 1.913 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 36 VAL HB 1 40 TYR QB 4.000 . 5.000 3.929 3.012 5.142 0.142 13 0 "[ . 1 . 2 . 3]" 1
343 1 36 VAL HB 1 40 TYR QD 4.000 . 5.000 3.360 2.704 4.753 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 36 VAL HB 1 40 TYR QE 4.000 . 5.000 4.450 3.389 5.117 0.117 22 0 "[ . 1 . 2 . 3]" 1
345 1 36 VAL QG 1 37 SER H 4.000 . 5.500 2.309 1.724 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 36 VAL QG 1 40 TYR H 4.000 . 5.500 4.250 3.439 5.502 0.002 14 0 "[ . 1 . 2 . 3]" 1
347 1 36 VAL QG 1 40 TYR QB 4.000 . 5.500 3.015 2.410 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 36 VAL QG 1 40 TYR QD 4.000 . 5.500 2.571 2.009 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 36 VAL QG 1 40 TYR QE 4.000 . 5.500 3.256 2.219 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 36 VAL QG 1 60 ILE MG 4.000 . 5.500 2.810 2.049 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 36 VAL QG 1 61 LEU QD 4.000 . 6.000 3.759 2.470 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 36 VAL QG 1 64 LEU QD 4.000 . 6.000 3.034 2.222 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 36 VAL QG 1 64 LEU HG 4.000 . 5.500 5.036 3.850 5.578 0.078 2 0 "[ . 1 . 2 . 3]" 1
354 1 37 SER H 1 40 TYR QD 4.000 . 5.000 3.154 2.519 5.241 0.241 14 0 "[ . 1 . 2 . 3]" 1
355 1 37 SER HA 1 38 ASP H 4.000 . 5.000 2.385 2.192 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 37 SER QB 1 38 ASP H 4.000 . 5.000 2.993 1.846 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 38 ASP HA 1 38 ASP QB 2.500 . 2.700 2.330 2.198 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 38 ASP HA 1 40 TYR H 4.000 . 5.000 4.258 3.510 5.051 0.051 2 0 "[ . 1 . 2 . 3]" 1
359 1 38 ASP HA 1 41 LYS H 4.000 . 5.000 3.439 3.197 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 38 ASP HA 1 41 LYS QB 3.000 . 3.300 3.232 2.520 3.511 0.211 2 0 "[ . 1 . 2 . 3]" 1
361 1 38 ASP HA 1 41 LYS QD 4.000 . 5.000 3.116 2.164 5.071 0.071 21 0 "[ . 1 . 2 . 3]" 1
362 1 38 ASP HA 1 41 LYS QE 4.000 . 5.000 3.709 2.076 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 38 ASP HA 1 41 LYS QG 4.000 . 5.000 3.340 2.061 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 38 ASP QB 1 41 LYS H 4.000 . 5.000 4.716 4.227 5.060 0.060 25 0 "[ . 1 . 2 . 3]" 1
365 1 38 ASP QB 1 41 LYS QB 4.000 . 5.000 4.254 3.398 4.981 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 38 ASP QB 1 41 LYS QD 4.000 . 5.000 3.636 2.157 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 39 TYR HA 1 39 TYR QB 2.500 . 2.700 2.324 2.176 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 39 TYR HA 1 39 TYR QD 4.000 . 5.000 2.958 2.899 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 39 TYR HA 1 39 TYR QE 4.000 . 5.000 4.714 4.633 5.488 0.488 29 0 "[ . 1 . 2 . 3]" 1
370 1 39 TYR HA 1 41 LYS H 4.000 . 5.000 4.289 3.779 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 39 TYR HA 1 42 ASN QB 4.000 . 5.000 3.150 2.473 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 39 TYR QB 1 39 TYR QE 4.000 . 5.000 3.956 3.934 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 39 TYR QB 1 40 TYR H 4.000 . 5.000 2.555 2.384 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 39 TYR QD 1 40 TYR H 4.000 . 5.000 2.964 2.822 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 39 TYR QD 1 40 TYR QE 4.000 . 5.000 3.828 3.469 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 39 TYR QD 1 43 LEU QD 4.000 . 5.500 4.143 3.804 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 39 TYR QE 1 40 TYR H 4.000 . 5.000 5.108 4.401 5.201 0.201 8 0 "[ . 1 . 2 . 3]" 1
378 1 39 TYR QE 1 40 TYR QD 4.000 . 5.000 4.084 3.438 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 39 TYR QE 1 40 TYR QE 4.000 . 5.000 4.225 2.639 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 39 TYR QE 1 43 LEU QD 4.000 . 5.500 3.021 2.432 5.500 0.000 29 0 "[ . 1 . 2 . 3]" 1
381 1 40 TYR H 1 40 TYR HA 3.000 . 3.500 2.843 2.804 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 40 TYR H 1 40 TYR QB 3.000 . 3.500 2.459 2.361 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 40 TYR H 1 41 LYS H 3.000 . 3.700 2.783 2.547 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 40 TYR H 1 41 LYS QB 4.000 . 5.000 4.751 4.506 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 40 TYR H 1 43 LEU QB 4.000 . 5.000 4.858 4.689 5.004 0.004 21 0 "[ . 1 . 2 . 3]" 1
386 1 40 TYR HA 1 40 TYR QD 4.000 . 5.000 2.568 2.311 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 40 TYR HA 1 40 TYR QE 4.000 . 5.000 4.460 4.301 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 40 TYR HA 1 41 LYS H 4.000 . 5.000 3.559 3.496 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 40 TYR HA 1 43 LEU H 4.000 . 5.000 3.231 3.058 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 40 TYR HA 1 43 LEU QB 4.000 . 5.000 2.543 2.387 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 40 TYR HA 1 43 LEU QD 4.000 . 5.500 3.351 3.133 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 40 TYR HA 1 43 LEU HG 4.000 . 5.000 5.020 4.878 5.130 0.130 21 0 "[ . 1 . 2 . 3]" 1
393 1 40 TYR HA 1 60 ILE MD 4.000 . 5.500 4.220 3.721 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 40 TYR QB 1 40 TYR QE 4.000 . 5.000 3.968 3.955 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 40 TYR QB 1 41 LYS H 4.000 . 5.000 2.722 2.526 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 40 TYR QB 1 60 ILE MD 4.000 . 5.500 2.812 2.242 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 40 TYR QB 1 60 ILE MG 4.000 . 5.500 3.644 2.863 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 40 TYR QD 1 56 LEU QD 4.000 . 5.500 3.712 2.708 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 40 TYR QD 1 60 ILE MD 4.000 . 5.500 2.647 2.069 3.383 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 40 TYR QD 1 60 ILE QG 4.000 . 5.000 3.534 2.724 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 40 TYR QD 1 60 ILE MG 4.000 . 5.500 3.621 2.715 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 40 TYR QE 1 43 LEU QD 4.000 . 5.500 4.203 3.745 4.879 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 40 TYR QE 1 56 LEU QD 4.000 . 5.500 4.706 3.786 5.469 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 40 TYR QE 1 60 ILE MD 4.000 . 5.500 3.717 2.280 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 40 TYR QE 1 60 ILE MG 4.000 . 5.500 3.797 2.956 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 41 LYS H 1 41 LYS HA 3.000 . 3.500 2.858 2.836 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 41 LYS H 1 41 LYS QB 3.000 . 3.500 2.331 2.125 2.643 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 41 LYS H 1 41 LYS QD 4.000 . 5.000 3.851 3.175 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 41 LYS H 1 41 LYS QE 4.000 . 5.000 4.391 3.416 5.040 0.040 13 0 "[ . 1 . 2 . 3]" 1
410 1 41 LYS H 1 41 LYS QG 2.500 . 2.900 2.513 1.788 2.990 0.090 14 0 "[ . 1 . 2 . 3]" 1
411 1 41 LYS H 1 42 ASN H 3.000 . 3.700 2.632 2.549 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 41 LYS H 1 42 ASN HA 4.000 . 5.000 5.281 5.214 5.335 0.335 20 0 "[ . 1 . 2 . 3]" 1
413 1 41 LYS H 1 42 ASN QB 4.000 . 5.000 4.525 4.351 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 41 LYS HA 1 41 LYS QD 4.000 . 5.000 4.204 2.301 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 41 LYS HA 1 41 LYS QE 4.000 . 5.000 4.355 3.926 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 41 LYS HA 1 42 ASN H 4.000 . 5.000 3.531 3.507 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 41 LYS HA 1 44 ILE H 3.000 . 3.500 3.410 3.133 3.583 0.083 28 0 "[ . 1 . 2 . 3]" 1
418 1 41 LYS HA 1 44 ILE HB 4.000 . 5.000 3.122 2.649 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 41 LYS HA 1 44 ILE MD 4.000 . 5.500 3.706 2.271 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 41 LYS HA 1 44 ILE QG 4.000 . 5.000 2.943 2.312 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 41 LYS HA 1 44 ILE MG 4.000 . 5.500 4.376 3.992 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 41 LYS HA 1 57 ILE MD 4.000 . 5.500 5.397 4.798 5.780 0.280 5 0 "[ . 1 . 2 . 3]" 1
423 1 41 LYS QB 1 41 LYS QD 3.000 . 3.300 2.247 2.124 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 41 LYS QB 1 41 LYS QE 4.000 . 5.000 2.293 2.009 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 41 LYS QB 1 42 ASN H 4.000 . 5.000 3.052 2.157 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 41 LYS QB 1 42 ASN HA 4.000 . 5.000 4.340 3.700 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 41 LYS QB 1 44 ILE MG 4.000 . 5.500 5.186 4.672 5.526 0.026 5 0 "[ . 1 . 2 . 3]" 1
428 1 41 LYS QD 1 42 ASN H 4.000 . 5.000 4.196 3.079 5.220 0.220 23 0 "[ . 1 . 2 . 3]" 1
429 1 41 LYS QE 1 42 ASN H 4.000 . 5.000 4.817 4.111 5.573 0.573 5 1 "[ + 1 . 2 . 3]" 1
430 1 41 LYS QG 1 42 ASN H 4.000 . 5.000 2.708 1.808 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 42 ASN H 1 42 ASN HA 3.000 . 3.500 2.854 2.832 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 42 ASN H 1 43 LEU H 4.000 . 5.000 2.627 2.459 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 42 ASN HA 1 43 LEU H 4.000 . 5.000 3.530 3.454 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 42 ASN HA 1 44 ILE HB 4.000 . 5.000 4.964 4.829 5.089 0.089 3 0 "[ . 1 . 2 . 3]" 1
435 1 42 ASN HA 1 45 ASN QB 2.500 . 2.700 2.778 2.706 2.839 0.139 6 0 "[ . 1 . 2 . 3]" 1
436 1 42 ASN HA 1 45 ASN QD 4.000 . 5.000 3.802 2.197 4.968 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 42 ASN QB 1 43 LEU H 4.000 . 5.000 2.662 2.515 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 42 ASN QB 1 43 LEU QB 4.000 . 5.000 4.059 3.942 4.959 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 43 LEU H 1 43 LEU HA 3.000 . 3.500 2.842 2.834 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 43 LEU H 1 43 LEU QB 2.500 . 2.900 2.263 2.249 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 43 LEU H 1 43 LEU QD 4.000 . 5.500 3.695 3.683 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 43 LEU H 1 43 LEU HG 4.000 . 5.000 4.473 4.456 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 43 LEU H 1 44 ILE H 2.500 . 3.100 2.725 2.628 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 43 LEU H 1 44 ILE HB 4.000 . 5.000 4.900 4.758 5.101 0.101 5 0 "[ . 1 . 2 . 3]" 1
445 1 43 LEU HA 1 43 LEU QD 2.500 . 2.700 2.098 2.074 2.116 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 43 LEU HA 1 43 LEU HG 3.000 . 3.300 3.109 3.069 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 43 LEU HA 1 44 ILE H 4.000 . 5.000 3.561 3.542 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 43 LEU HA 1 46 ASN H 4.000 . 5.000 3.398 3.160 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 43 LEU HA 1 46 ASN QB 4.000 . 5.000 3.097 2.328 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 43 LEU QB 1 43 LEU QD 2.500 . 3.200 1.930 1.921 1.943 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 43 LEU QB 1 43 LEU HG 2.500 . 2.700 2.363 2.350 2.374 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 43 LEU QB 1 44 ILE H 3.000 . 3.500 2.595 2.516 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 43 LEU QB 1 44 ILE HA 4.000 . 5.000 4.209 4.179 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 43 LEU QB 1 45 ASN H 4.000 . 5.000 4.755 4.723 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 43 LEU QD 1 44 ILE H 4.000 . 5.500 3.932 3.874 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 44 ILE H 1 44 ILE HA 3.000 . 3.500 2.858 2.850 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 44 ILE H 1 44 ILE HB 2.500 . 2.900 2.501 2.380 2.685 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 44 ILE H 1 44 ILE MD 4.000 . 5.500 3.322 2.561 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 44 ILE H 1 44 ILE QG 4.000 . 5.000 2.180 2.035 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 44 ILE H 1 44 ILE MG 3.000 . 4.000 3.772 3.743 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 44 ILE H 1 45 ASN H 2.500 . 3.100 2.682 2.625 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 44 ILE HA 1 44 ILE MD 3.000 . 3.800 2.702 2.055 3.818 0.018 14 0 "[ . 1 . 2 . 3]" 1
463 1 44 ILE HA 1 44 ILE MG 3.000 . 3.800 2.379 2.269 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 44 ILE HA 1 45 ASN H 4.000 . 5.000 3.546 3.532 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 44 ILE HA 1 46 ASN H 4.000 . 5.000 4.019 3.588 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 44 ILE HA 1 47 ALA H 4.000 . 5.000 3.427 3.053 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 44 ILE HA 1 53 VAL MG2 4.000 . 5.500 3.881 3.247 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 44 ILE HA 1 56 LEU QD 3.000 . 3.800 2.949 2.558 3.336 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 44 ILE HB 1 45 ASN H 3.000 . 3.500 2.586 2.440 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 44 ILE HB 1 57 ILE MD 4.000 . 5.500 5.124 4.598 5.510 0.010 25 0 "[ . 1 . 2 . 3]" 1
471 1 44 ILE MD 1 44 ILE MG 2.500 . 3.700 1.915 1.820 2.060 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 44 ILE MD 1 53 VAL HA 4.000 . 5.500 3.735 2.551 4.776 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 44 ILE MD 1 56 LEU QB 3.000 . 3.800 3.317 2.561 3.946 0.146 17 0 "[ . 1 . 2 . 3]" 1
474 1 44 ILE MD 1 57 ILE H 4.000 . 5.500 4.293 3.517 4.829 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 44 ILE MD 1 57 ILE QG 4.000 . 5.500 3.151 2.056 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 44 ILE MD 1 60 ILE QG 4.000 . 5.500 5.038 3.837 5.628 0.128 3 0 "[ . 1 . 2 . 3]" 1
477 1 44 ILE QG 1 44 ILE MG 3.000 . 3.800 2.301 2.158 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 44 ILE MG 1 45 ASN H 4.000 . 5.500 3.384 3.218 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 44 ILE MG 1 45 ASN HA 4.000 . 5.500 3.435 3.301 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 44 ILE MG 1 45 ASN QB 4.000 . 5.500 4.560 4.205 4.916 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 44 ILE MG 1 53 VAL MG2 2.500 . 3.700 2.684 2.230 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 44 ILE MG 1 57 ILE QG 4.000 . 5.500 4.591 3.958 5.471 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 45 ASN H 1 45 ASN HA 3.000 . 3.500 2.830 2.759 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 45 ASN H 1 45 ASN QB 2.500 . 2.900 2.329 2.234 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 45 ASN H 1 45 ASN QD 4.000 . 5.000 3.974 2.599 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 45 ASN H 1 46 ASN H 3.000 . 3.700 2.720 2.556 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 45 ASN HA 1 45 ASN QB 2.500 . 2.700 2.415 2.367 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 45 ASN HA 1 46 ASN H 4.000 . 5.000 3.517 3.441 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 45 ASN HA 1 47 ALA H 4.000 . 5.000 3.841 3.603 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 45 ASN QB 1 46 ASN H 3.000 . 3.500 2.756 2.570 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 45 ASN QB 1 47 ALA H 4.000 . 5.000 4.555 4.389 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 46 ASN H 1 46 ASN QB 2.500 . 2.900 2.423 2.261 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 46 ASN H 1 47 ALA H 2.500 . 3.100 2.606 2.314 3.229 0.129 6 0 "[ . 1 . 2 . 3]" 1
494 1 46 ASN H 1 47 ALA MB 4.000 . 5.500 4.224 3.955 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 46 ASN H 1 56 LEU QD 4.000 . 5.500 5.507 4.947 5.663 0.163 22 0 "[ . 1 . 2 . 3]" 1
496 1 46 ASN HA 1 47 ALA H 4.000 . 5.000 3.284 2.748 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 46 ASN QB 1 47 ALA H 4.000 . 5.000 3.417 2.586 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 47 ALA H 1 47 ALA HA 3.000 . 3.500 2.843 2.782 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 47 ALA H 1 47 ALA MB 2.500 . 3.200 2.230 2.174 2.263 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 47 ALA HA 1 49 THR H 4.000 . 5.000 3.810 3.565 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 47 ALA HA 1 53 VAL QG 4.000 . 5.500 4.231 3.863 4.861 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 47 ALA MB 1 49 THR H 3.000 . 4.000 2.992 2.616 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 47 ALA MB 1 53 VAL H 4.000 . 5.500 3.670 3.104 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 47 ALA MB 1 53 VAL HA 3.000 . 3.800 3.274 2.759 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 47 ALA MB 1 53 VAL QG 2.500 . 3.700 2.028 1.809 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 48 LYS HA 1 48 LYS QD 4.000 . 5.000 3.769 2.196 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 48 LYS HA 1 49 THR H 4.000 . 5.000 3.405 3.129 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 48 LYS HA 1 49 THR MG 4.000 . 5.500 4.921 3.878 5.745 0.245 13 0 "[ . 1 . 2 . 3]" 1
509 1 48 LYS QB 1 48 LYS QD 3.000 . 3.300 2.226 2.127 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 48 LYS QB 1 49 THR H 4.000 . 5.000 3.259 2.564 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 48 LYS QB 1 49 THR MG 4.000 . 5.500 3.759 2.490 5.124 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 49 THR H 1 49 THR MG 4.000 . 5.500 3.225 1.834 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 49 THR H 1 52 GLY H 4.000 . 5.000 4.170 3.268 4.977 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 49 THR H 1 52 GLY QA 4.000 . 5.000 4.039 3.223 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 49 THR H 1 53 VAL QG 4.000 . 5.500 3.764 3.172 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 49 THR HA 1 49 THR MG 3.000 . 3.800 2.472 2.214 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 49 THR HA 1 50 VAL H 3.000 . 3.500 2.314 2.174 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 49 THR HB 1 50 VAL H 4.000 . 5.000 3.392 2.506 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 49 THR HB 1 51 GLU H 4.000 . 5.000 3.464 2.606 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 49 THR HB 1 52 GLY H 4.000 . 5.000 3.216 2.323 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 49 THR MG 1 50 VAL H 4.000 . 5.500 3.094 1.762 3.993 0.038 20 0 "[ . 1 . 2 . 3]" 1
522 1 49 THR MG 1 51 GLU H 4.000 . 5.500 3.323 1.939 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 49 THR MG 1 52 GLY H 4.000 . 5.500 3.383 1.755 4.496 0.045 26 0 "[ . 1 . 2 . 3]" 1
524 1 49 THR MG 1 52 GLY QA 4.000 . 5.500 4.213 2.533 5.520 0.020 20 0 "[ . 1 . 2 . 3]" 1
525 1 49 THR MG 1 53 VAL QG 4.000 . 5.500 4.889 3.979 5.450 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 50 VAL H 1 50 VAL HB 4.000 . 5.000 2.778 2.417 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 50 VAL H 1 50 VAL QG 4.000 . 5.500 1.946 1.766 2.209 0.034 27 0 "[ . 1 . 2 . 3]" 1
528 1 50 VAL H 1 51 GLU H 4.000 . 5.000 2.674 2.530 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 50 VAL HA 1 50 VAL QG 2.500 . 3.200 2.190 2.060 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 50 VAL HA 1 51 GLU H 4.000 . 5.000 3.548 3.479 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 50 VAL HA 1 52 GLY H 4.000 . 5.000 4.182 3.896 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 50 VAL HA 1 53 VAL H 4.000 . 5.000 3.120 2.843 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 50 VAL HA 1 53 VAL HB 4.000 . 5.000 2.730 2.308 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 50 VAL HA 1 53 VAL QG 2.500 . 3.200 2.409 2.052 3.071 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 50 VAL HB 1 51 GLU H 4.000 . 5.000 3.256 1.890 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 50 VAL HB 1 53 VAL H 4.000 . 5.000 5.168 4.877 5.277 0.277 2 0 "[ . 1 . 2 . 3]" 1
537 1 50 VAL QG 1 51 GLU H 4.000 . 5.500 2.595 1.951 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 50 VAL QG 1 51 GLU HA 4.000 . 5.500 3.224 2.961 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 50 VAL QG 1 54 LYS H 4.000 . 5.500 4.005 3.319 5.139 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 50 VAL QG 1 54 LYS QE 4.000 . 5.500 4.153 2.160 5.539 0.039 10 0 "[ . 1 . 2 . 3]" 1
541 1 50 VAL QG 1 54 LYS QG 4.000 . 5.500 4.338 2.568 5.583 0.083 26 0 "[ . 1 . 2 . 3]" 1
542 1 51 GLU H 1 51 GLU QB 3.000 . 3.500 2.391 2.206 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 51 GLU H 1 51 GLU QG 4.000 . 5.000 2.731 2.022 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 51 GLU H 1 52 GLY H 4.000 . 5.000 2.671 2.621 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 51 GLU H 1 52 GLY QA 4.000 . 5.000 4.588 4.543 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 51 GLU H 1 53 VAL H 4.000 . 5.000 4.003 3.833 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 51 GLU HA 1 52 GLY H 3.000 . 3.500 3.526 3.476 3.547 0.047 30 0 "[ . 1 . 2 . 3]" 1
548 1 51 GLU HA 1 53 VAL H 4.000 . 5.000 4.152 3.614 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 51 GLU HA 1 54 LYS H 4.000 . 5.000 3.706 3.376 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 51 GLU HA 1 54 LYS QB 4.000 . 5.000 3.699 2.748 5.023 0.023 20 0 "[ . 1 . 2 . 3]" 1
551 1 51 GLU HA 1 54 LYS QD 4.000 . 6.000 4.023 2.414 5.994 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 51 GLU HA 1 55 ALA H 4.000 . 5.000 4.231 3.495 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 51 GLU QB 1 52 GLY H 4.000 . 5.000 2.840 2.494 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 51 GLU QB 1 52 GLY QA 4.000 . 5.000 3.841 3.627 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 51 GLU QG 1 52 GLY H 4.000 . 5.000 3.407 1.979 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 52 GLY H 1 52 GLY QA 2.500 . 2.700 2.251 2.233 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 52 GLY H 1 53 VAL H 3.000 . 3.700 2.574 2.370 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 52 GLY H 1 53 VAL QG 4.000 . 5.500 3.992 3.695 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 52 GLY H 1 55 ALA MB 4.000 . 5.500 4.625 4.224 5.062 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 52 GLY QA 1 53 VAL H 3.000 . 3.500 2.828 2.732 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 52 GLY QA 1 53 VAL HB 4.000 . 5.000 4.934 4.845 5.016 0.016 6 0 "[ . 1 . 2 . 3]" 1
562 1 52 GLY QA 1 53 VAL QG 4.000 . 5.500 3.867 3.762 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 52 GLY QA 1 55 ALA H 4.000 . 5.000 3.401 3.254 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 52 GLY QA 1 55 ALA MB 3.000 . 3.800 2.432 2.278 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 52 GLY QA 1 56 LEU H 4.000 . 5.000 3.717 3.217 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 53 VAL H 1 53 VAL HA 3.000 . 3.500 2.863 2.839 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 53 VAL H 1 53 VAL HB 2.500 . 2.900 2.444 2.379 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 53 VAL H 1 53 VAL QG 2.500 . 3.200 2.206 2.005 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 53 VAL H 1 54 LYS H 3.000 . 3.700 2.816 2.729 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 53 VAL HA 1 53 VAL HB 3.000 . 3.300 3.030 3.025 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 53 VAL HA 1 53 VAL QG 2.500 . 3.200 2.095 2.061 2.120 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 53 VAL HA 1 54 LYS H 4.000 . 5.000 3.590 3.574 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 53 VAL HA 1 56 LEU H 4.000 . 5.000 3.706 3.394 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 53 VAL HA 1 56 LEU QB 4.000 . 5.000 2.918 2.504 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 53 VAL HA 1 56 LEU QD 4.000 . 5.500 3.545 3.154 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 53 VAL HA 1 57 ILE H 4.000 . 5.000 4.478 3.842 5.018 0.018 22 0 "[ . 1 . 2 . 3]" 1
577 1 53 VAL HB 1 54 LYS H 3.000 . 3.500 2.457 2.285 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 53 VAL QG 1 54 LYS H 4.000 . 5.500 2.993 2.864 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 53 VAL QG 1 54 LYS HA 4.000 . 5.500 3.248 3.177 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 54 LYS H 1 54 LYS HA 3.000 . 3.500 2.879 2.842 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 54 LYS H 1 54 LYS QB 3.000 . 3.500 2.399 2.253 2.710 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 54 LYS H 1 54 LYS QG 4.000 . 5.000 2.816 1.821 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 54 LYS H 1 55 ALA H 2.500 . 3.100 2.654 2.493 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 54 LYS HA 1 55 ALA H 4.000 . 5.000 3.552 3.515 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 54 LYS HA 1 57 ILE H 4.000 . 5.000 3.637 3.255 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 54 LYS HA 1 57 ILE HB 4.000 . 5.000 3.370 2.756 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 54 LYS HA 1 57 ILE MD 4.000 . 5.500 4.479 2.614 5.289 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 54 LYS HA 1 57 ILE QG 4.000 . 5.000 3.366 2.383 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 54 LYS HA 1 57 ILE MG 4.000 . 5.500 4.637 4.172 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 54 LYS QB 1 54 LYS QE 4.000 . 5.000 3.040 2.120 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 54 LYS QB 1 55 ALA H 3.000 . 3.500 2.835 2.449 3.544 0.044 22 0 "[ . 1 . 2 . 3]" 1
592 1 55 ALA H 1 55 ALA HA 2.500 . 2.900 2.876 2.834 2.904 0.004 17 0 "[ . 1 . 2 . 3]" 1
593 1 55 ALA H 1 55 ALA MB 2.500 . 2.700 2.243 2.154 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 55 ALA H 1 56 LEU H 2.500 . 3.100 2.620 2.531 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 55 ALA HA 1 56 LEU H 4.000 . 5.000 3.500 3.387 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 55 ALA HA 1 58 ASP H 4.000 . 5.000 3.409 3.158 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 55 ALA HA 1 58 ASP QB 4.000 . 5.000 2.604 2.210 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 55 ALA HA 1 59 GLU QG 4.000 . 5.000 4.735 3.831 5.449 0.449 10 0 "[ . 1 . 2 . 3]" 1
599 1 55 ALA MB 1 56 LEU H 2.500 . 3.200 2.748 2.532 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 55 ALA MB 1 56 LEU HA 4.000 . 5.500 3.860 3.777 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 55 ALA MB 1 56 LEU QB 4.000 . 5.500 3.943 3.757 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 56 LEU H 1 56 LEU HA 2.500 . 2.900 2.870 2.830 2.936 0.036 21 0 "[ . 1 . 2 . 3]" 1
603 1 56 LEU H 1 56 LEU QB 2.500 . 2.900 2.268 2.222 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 56 LEU H 1 56 LEU QD 3.000 . 3.800 3.721 3.627 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 56 LEU H 1 56 LEU HG 4.000 . 5.000 4.452 4.307 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 56 LEU H 1 57 ILE H 3.000 . 3.700 2.667 2.471 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 56 LEU H 1 58 ASP H 3.000 . 3.700 3.928 3.737 4.014 0.314 14 0 "[ . 1 . 2 . 3]" 1
608 1 56 LEU H 1 60 ILE MD 4.000 . 5.500 5.546 5.221 5.824 0.324 30 0 "[ . 1 . 2 . 3]" 1
609 1 56 LEU HA 1 56 LEU QD 4.000 . 5.500 2.133 2.059 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 56 LEU HA 1 56 LEU HG 4.000 . 5.000 3.021 2.622 3.304 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 56 LEU HA 1 57 ILE H 4.000 . 5.000 3.559 3.515 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 56 LEU HA 1 59 GLU QB 4.000 . 5.000 3.130 2.661 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 56 LEU HA 1 59 GLU QG 4.000 . 5.000 3.203 2.243 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 56 LEU HA 1 60 ILE H 4.000 . 5.000 4.185 3.857 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 56 LEU QB 1 57 ILE H 4.000 . 5.000 2.456 1.936 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 56 LEU QB 1 59 GLU QB 4.000 . 5.000 4.883 4.381 5.377 0.377 26 0 "[ . 1 . 2 . 3]" 1
617 1 56 LEU QB 1 60 ILE MD 4.000 . 5.500 3.785 3.333 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 56 LEU QD 1 59 GLU QB 4.000 . 5.500 3.352 2.426 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 57 ILE H 1 57 ILE HA 3.000 . 3.500 2.866 2.753 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 57 ILE H 1 57 ILE HB 2.500 . 2.900 2.579 2.237 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 57 ILE H 1 57 ILE MD 4.000 . 5.500 2.869 1.688 3.708 0.112 27 0 "[ . 1 . 2 . 3]" 1
622 1 57 ILE H 1 57 ILE QG 4.000 . 5.000 2.220 1.799 3.489 0.001 10 0 "[ . 1 . 2 . 3]" 1
623 1 57 ILE H 1 57 ILE MG 4.000 . 5.500 3.769 3.678 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 57 ILE H 1 58 ASP H 2.500 . 3.100 2.616 2.341 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 57 ILE H 1 60 ILE H 4.000 . 5.000 4.667 4.470 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 57 ILE HA 1 57 ILE MD 3.000 . 3.800 2.292 2.059 3.840 0.040 12 0 "[ . 1 . 2 . 3]" 1
627 1 57 ILE HA 1 58 ASP H 4.000 . 5.000 3.543 3.491 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 57 ILE HA 1 59 GLU H 4.000 . 5.000 4.313 4.020 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 57 ILE HA 1 60 ILE H 4.000 . 5.000 3.260 2.963 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 57 ILE HA 1 60 ILE HB 3.000 . 3.300 2.451 2.314 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 57 ILE HA 1 60 ILE MD 3.000 . 3.800 2.622 2.254 4.022 0.222 10 0 "[ . 1 . 2 . 3]" 1
632 1 57 ILE HA 1 60 ILE MG 4.000 . 5.500 3.879 3.729 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 57 ILE HA 1 61 LEU H 4.000 . 5.000 3.637 3.352 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 57 ILE HB 1 58 ASP H 2.500 . 2.900 2.631 2.478 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 57 ILE HB 1 59 GLU H 4.000 . 5.000 5.051 4.918 5.222 0.222 5 0 "[ . 1 . 2 . 3]" 1
636 1 57 ILE HB 1 61 LEU QB 4.000 . 5.000 5.206 5.139 5.309 0.309 20 0 "[ . 1 . 2 . 3]" 1
637 1 57 ILE MD 1 57 ILE MG 2.500 . 3.700 2.080 1.803 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 57 ILE MD 1 60 ILE HB 4.000 . 5.500 3.834 3.328 5.308 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 57 ILE MD 1 60 ILE MG 4.000 . 6.000 4.181 3.672 5.522 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 57 ILE MG 1 58 ASP H 4.000 . 5.500 3.544 3.132 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 57 ILE MG 1 58 ASP HA 4.000 . 5.500 3.578 3.145 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 57 ILE MG 1 61 LEU H 4.000 . 5.500 3.497 3.185 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 57 ILE MG 1 61 LEU QD 3.000 . 4.300 1.952 1.858 2.022 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 58 ASP H 1 58 ASP HA 3.000 . 3.500 2.859 2.830 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 58 ASP H 1 58 ASP QB 3.000 . 3.500 2.386 2.273 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 58 ASP H 1 59 GLU H 3.000 . 3.700 2.712 2.616 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 58 ASP H 1 59 GLU QB 4.000 . 5.000 4.706 4.567 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 58 ASP H 1 60 ILE H 4.000 . 5.000 4.071 3.992 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 58 ASP HA 1 58 ASP QB 2.500 . 2.700 2.383 2.196 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 58 ASP HA 1 59 GLU H 4.000 . 5.000 3.555 3.523 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 58 ASP HA 1 61 LEU H 4.000 . 5.000 3.556 3.318 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 58 ASP HA 1 61 LEU QB 4.000 . 5.000 2.738 2.443 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 58 ASP HA 1 61 LEU QD 4.000 . 5.500 3.212 2.823 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 58 ASP HA 1 62 ALA H 4.000 . 5.000 3.801 3.459 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 58 ASP QB 1 59 GLU H 4.000 . 5.000 2.675 2.558 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 58 ASP QB 1 59 GLU HA 4.000 . 5.000 4.025 3.895 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 58 ASP QB 1 59 GLU QG 4.000 . 5.000 3.820 3.198 5.057 0.057 21 0 "[ . 1 . 2 . 3]" 1
658 1 59 GLU H 1 59 GLU HA 2.500 . 2.900 2.891 2.881 2.916 0.016 10 0 "[ . 1 . 2 . 3]" 1
659 1 59 GLU H 1 59 GLU QB 2.500 . 2.900 2.359 2.244 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 59 GLU H 1 59 GLU QG 4.000 . 5.000 2.512 2.167 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 59 GLU H 1 60 ILE H 3.000 . 3.700 2.527 2.478 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 59 GLU H 1 60 ILE HA 4.000 . 5.000 5.198 5.148 5.235 0.235 27 0 "[ . 1 . 2 . 3]" 1
663 1 59 GLU H 1 61 LEU H 4.000 . 5.000 4.116 3.966 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 59 GLU HA 1 59 GLU QB 2.500 . 2.700 2.361 2.172 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 59 GLU HA 1 60 ILE H 4.000 . 5.000 3.537 3.514 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 59 GLU HA 1 60 ILE QG 4.000 . 5.000 5.064 4.945 5.331 0.331 10 0 "[ . 1 . 2 . 3]" 1
667 1 59 GLU HA 1 62 ALA H 4.000 . 5.000 3.508 3.253 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 59 GLU HA 1 62 ALA MB 3.000 . 3.800 2.525 2.292 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 59 GLU QB 1 60 ILE H 3.000 . 3.500 2.823 2.541 3.611 0.111 10 0 "[ . 1 . 2 . 3]" 1
670 1 59 GLU QB 1 60 ILE HA 4.000 . 5.000 4.086 3.869 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 59 GLU QB 1 60 ILE MD 4.000 . 5.500 4.368 2.338 5.328 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 59 GLU QB 1 60 ILE QG 4.000 . 5.000 3.428 2.981 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 59 GLU QB 1 62 ALA MB 4.000 . 5.500 4.109 3.722 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 59 GLU QG 1 60 ILE H 4.000 . 5.000 3.625 1.977 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 59 GLU QG 1 62 ALA MB 4.000 . 5.500 4.445 3.957 5.137 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 60 ILE H 1 60 ILE HA 3.000 . 3.500 2.873 2.859 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 60 ILE H 1 60 ILE HB 2.500 . 2.900 2.489 2.375 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 60 ILE H 1 60 ILE MD 4.000 . 5.800 3.277 2.277 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 60 ILE H 1 60 ILE QG 2.500 . 2.900 2.179 1.906 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 60 ILE H 1 60 ILE MG 3.000 . 3.800 3.759 3.745 3.813 0.013 10 0 "[ . 1 . 2 . 3]" 1
681 1 60 ILE HA 1 60 ILE HB 3.000 . 3.300 3.028 3.018 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 60 ILE HA 1 60 ILE MD 4.000 . 5.500 3.601 2.135 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 60 ILE HA 1 60 ILE QG 3.000 . 3.300 2.486 2.333 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 60 ILE HA 1 60 ILE MG 2.500 . 3.200 2.364 2.270 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 60 ILE HA 1 61 LEU H 4.000 . 5.000 3.565 3.537 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 60 ILE HA 1 62 ALA H 4.000 . 5.000 4.362 3.886 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 60 ILE HA 1 63 ALA H 4.000 . 5.000 3.673 3.305 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 60 ILE HA 1 63 ALA MB 4.000 . 5.500 3.158 2.276 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 60 ILE HB 1 60 ILE MD 2.500 . 3.200 2.423 2.238 3.214 0.014 28 0 "[ . 1 . 2 . 3]" 1
690 1 60 ILE HB 1 61 LEU H 2.500 . 2.900 2.543 2.274 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 60 ILE QG 1 60 ILE MG 2.500 . 3.200 2.265 2.227 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 60 ILE MG 1 61 LEU H 4.000 . 5.500 3.360 3.096 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 60 ILE MG 1 61 LEU HA 4.000 . 5.500 3.463 3.280 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 61 LEU H 1 61 LEU HA 3.000 . 3.500 2.885 2.845 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 61 LEU H 1 61 LEU QB 2.500 . 2.900 2.357 2.260 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 61 LEU H 1 61 LEU QD 4.000 . 5.500 3.228 3.073 3.348 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 61 LEU H 1 61 LEU HG 4.000 . 5.000 2.470 2.190 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 61 LEU H 1 62 ALA H 3.000 . 3.700 2.590 2.453 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 61 LEU H 1 62 ALA MB 4.000 . 5.500 4.292 4.162 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 61 LEU H 1 63 ALA H 4.000 . 5.000 4.121 3.834 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 61 LEU HA 1 61 LEU QD 4.000 . 5.500 2.106 2.076 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 61 LEU HA 1 61 LEU HG 4.000 . 5.000 2.903 2.756 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 61 LEU HA 1 62 ALA H 4.000 . 5.000 3.521 3.377 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 61 LEU HA 1 63 ALA H 4.000 . 5.000 3.964 3.336 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 61 LEU HA 1 64 LEU H 4.000 . 5.000 3.611 3.078 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 61 LEU HA 1 64 LEU QB 4.000 . 5.000 3.612 2.391 5.028 0.028 21 0 "[ . 1 . 2 . 3]" 1
707 1 61 LEU HA 1 64 LEU QD 4.000 . 5.500 2.690 2.187 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 61 LEU HA 1 64 LEU HG 4.000 . 5.000 3.490 2.343 4.709 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 61 LEU QB 1 62 ALA H 4.000 . 5.000 2.739 2.597 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 61 LEU QB 1 62 ALA HA 4.000 . 5.000 3.950 3.890 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 61 LEU QD 1 62 ALA H 4.000 . 5.500 4.189 4.115 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 61 LEU QD 1 64 LEU H 4.000 . 5.500 4.748 4.246 5.443 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 61 LEU QD 1 64 LEU HG 4.000 . 5.500 4.209 3.225 5.251 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 62 ALA H 1 62 ALA HA 3.000 . 3.500 2.866 2.805 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 62 ALA H 1 62 ALA MB 2.500 . 3.400 2.253 2.203 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 62 ALA H 1 63 ALA H 3.000 . 3.700 2.675 2.418 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 62 ALA H 1 64 LEU H 4.000 . 5.000 4.421 3.924 5.169 0.169 18 0 "[ . 1 . 2 . 3]" 1
718 1 62 ALA HA 1 63 ALA H 4.000 . 5.000 3.475 3.082 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 62 ALA HA 1 64 LEU H 4.000 . 5.000 4.222 3.310 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 62 ALA MB 1 63 ALA H 3.000 . 3.800 2.790 2.311 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 63 ALA H 1 63 ALA HA 3.000 . 3.500 2.891 2.841 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 63 ALA H 1 63 ALA MB 2.500 . 3.400 2.319 2.163 2.700 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 63 ALA H 1 64 LEU QB 4.000 . 5.000 4.740 3.386 5.285 0.285 7 0 "[ . 1 . 2 . 3]" 1
724 1 63 ALA H 1 64 LEU HG 4.000 . 5.000 4.254 3.132 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 63 ALA MB 1 64 LEU H 3.000 . 3.800 2.845 2.162 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 64 LEU H 1 64 LEU QB 3.000 . 3.500 2.537 2.100 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 64 LEU H 1 64 LEU QD 4.000 . 5.500 2.981 1.775 3.501 0.025 18 0 "[ . 1 . 2 . 3]" 1
728 1 64 LEU H 1 64 LEU HG 3.000 . 3.500 2.425 1.815 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 64 LEU H 1 65 PRO QD 4.000 . 5.000 4.087 3.031 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 64 LEU HA 1 64 LEU QD 4.000 . 5.500 2.497 2.089 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 64 LEU HA 1 64 LEU HG 4.000 . 5.000 2.995 2.312 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 64 LEU HA 1 65 PRO QD 2.500 . 2.700 2.109 2.053 2.162 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 64 LEU HA 1 65 PRO QG 4.000 . 5.000 4.054 3.992 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 64 LEU QB 1 65 PRO QD 4.000 . 5.000 2.656 2.198 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 64 LEU QD 1 65 PRO QD 4.000 . 5.500 2.942 2.257 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 65 PRO HA 1 65 PRO QD 4.000 . 5.000 3.384 3.267 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
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