NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
646843 |
6u19   |
27875 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6u19
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 1302
_Distance_constraint_stats_list.Viol_count 1065
_Distance_constraint_stats_list.Viol_total 1671.589
_Distance_constraint_stats_list.Viol_max 1.567
_Distance_constraint_stats_list.Viol_rms 0.0340
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.1046
_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 SER 0.009 0.009 2 0 "[ . 1 .]"
1 2 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 3 ASP 0.009 0.009 2 0 "[ . 1 .]"
1 4 ILE 0.198 0.053 4 0 "[ . 1 .]"
1 5 ASP 0.198 0.053 4 0 "[ . 1 .]"
1 6 ALA 0.020 0.020 4 0 "[ . 1 .]"
1 7 SER 0.020 0.020 4 0 "[ . 1 .]"
1 8 SER 0.000 0.000 . 0 "[ . 1 .]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 10 MET 0.000 0.000 . 0 "[ . 1 .]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 12 THR 0.134 0.050 10 0 "[ . 1 .]"
1 13 SER 0.174 0.050 10 0 "[ . 1 .]"
1 14 GLU 0.040 0.040 6 0 "[ . 1 .]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 17 LYS 1.068 0.356 7 0 "[ . 1 .]"
1 18 GLU 1.090 0.356 7 0 "[ . 1 .]"
1 19 GLU 0.517 0.437 4 0 "[ . 1 .]"
1 20 ASP 0.080 0.080 14 0 "[ . 1 .]"
1 21 ASP 0.184 0.036 4 0 "[ . 1 .]"
1 22 TYR 2.391 0.145 13 0 "[ . 1 .]"
1 23 ASP 0.621 0.069 7 0 "[ . 1 .]"
1 24 VAL 1.586 0.145 13 0 "[ . 1 .]"
1 25 MET 0.134 0.066 7 0 "[ . 1 .]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 27 ASP 0.134 0.066 7 0 "[ . 1 .]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 29 GLU 0.013 0.008 11 0 "[ . 1 .]"
1 30 PHE 0.857 0.100 14 0 "[ . 1 .]"
1 31 LEU 0.844 0.100 14 0 "[ . 1 .]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 33 SER 0.515 0.044 11 0 "[ . 1 .]"
1 34 VAL 1.950 0.139 1 0 "[ . 1 .]"
1 35 LEU 1.915 0.139 1 0 "[ . 1 .]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 37 ASN 0.715 0.094 4 0 "[ . 1 .]"
1 38 LEU 0.339 0.339 11 0 "[ . 1 .]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 42 ASP 0.261 0.085 3 0 "[ . 1 .]"
1 43 PRO 0.488 0.131 7 0 "[ . 1 .]"
1 44 ASN 0.008 0.008 2 0 "[ . 1 .]"
1 45 ASN 3.103 0.198 2 0 "[ . 1 .]"
1 46 GLU 0.952 0.101 11 0 "[ . 1 .]"
1 47 ALA 2.824 0.198 2 0 "[ . 1 .]"
1 48 ILE 1.114 0.231 5 0 "[ . 1 .]"
1 49 ARG 2.058 0.231 5 0 "[ . 1 .]"
1 50 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 51 ALA 0.010 0.010 11 0 "[ . 1 .]"
1 52 MET 0.278 0.059 6 0 "[ . 1 .]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 54 SER 0.817 0.167 5 0 "[ . 1 .]"
1 55 LEU 0.752 0.051 9 0 "[ . 1 .]"
1 56 ALA 1.195 0.053 12 0 "[ . 1 .]"
1 57 SER 1.339 0.167 5 0 "[ . 1 .]"
1 58 GLN 0.437 0.042 9 0 "[ . 1 .]"
1 59 ALA 0.953 0.130 11 0 "[ . 1 .]"
1 60 THR 0.272 0.044 12 0 "[ . 1 .]"
1 61 LYS 0.162 0.048 9 0 "[ . 1 .]"
1 62 ASP 0.162 0.048 9 0 "[ . 1 .]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 64 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 65 LYS 0.095 0.095 11 0 "[ . 1 .]"
1 66 ASP 0.095 0.095 11 0 "[ . 1 .]"
1 67 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 70 GLU 0.075 0.075 10 0 "[ . 1 .]"
1 71 ASP 0.075 0.075 10 0 "[ . 1 .]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 .]"
2 1 MET 0.015 0.011 2 0 "[ . 1 .]"
2 2 LYS 1.374 0.374 4 0 "[ . 1 .]"
2 3 ARG 2.778 0.374 4 0 "[ . 1 .]"
2 4 ALA 1.520 0.156 5 0 "[ . 1 .]"
2 5 ALA 0.019 0.019 12 0 "[ . 1 .]"
2 6 ALA 0.157 0.057 3 0 "[ . 1 .]"
2 7 LYS 0.134 0.038 7 0 "[ . 1 .]"
2 8 HIS 1.198 0.274 14 0 "[ . 1 .]"
2 9 LEU 7.416 0.448 5 0 "[ . 1 .]"
2 10 ILE 0.814 0.429 2 0 "[ . 1 .]"
2 11 GLU 1.198 0.274 14 0 "[ . 1 .]"
2 12 ARG 2.682 0.231 6 0 "[ . 1 .]"
2 13 TYR 5.137 0.448 5 0 "[ . 1 .]"
2 14 TYR 4.617 0.321 12 0 "[ . 1 .]"
2 15 HIS 0.000 0.000 . 0 "[ . 1 .]"
2 16 GLN 3.406 1.567 11 1 "[ . 1+ .]"
2 17 LEU 3.663 0.265 14 0 "[ . 1 .]"
2 18 THR 2.772 0.195 15 0 "[ . 1 .]"
2 19 GLU 0.210 0.176 10 0 "[ . 1 .]"
2 20 GLY 0.039 0.025 2 0 "[ . 1 .]"
2 21 CYS 1.846 0.218 10 0 "[ . 1 .]"
2 22 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 23 ASN 1.212 0.110 5 0 "[ . 1 .]"
2 24 GLU 1.212 0.110 5 0 "[ . 1 .]"
2 25 ALA 0.003 0.003 7 0 "[ . 1 .]"
2 26 CYS 0.157 0.088 12 0 "[ . 1 .]"
2 27 THR 0.274 0.088 12 0 "[ . 1 .]"
2 28 ASN 3.858 0.760 7 1 "[ . + 1 .]"
2 29 GLU 0.793 0.402 7 0 "[ . 1 .]"
2 30 PHE 1.472 0.760 7 1 "[ . + 1 .]"
2 31 CYS 5.999 1.567 11 1 "[ . 1+ .]"
2 32 ALA 1.417 0.133 1 0 "[ . 1 .]"
2 33 SER 2.974 0.218 10 0 "[ . 1 .]"
2 34 CYS 0.789 0.163 14 0 "[ . 1 .]"
2 35 PRO 0.806 0.115 10 0 "[ . 1 .]"
2 36 THR 0.333 0.272 14 0 "[ . 1 .]"
2 37 PHE 2.660 0.241 14 0 "[ . 1 .]"
2 38 LEU 0.188 0.071 1 0 "[ . 1 .]"
2 39 ARG 3.340 0.241 14 0 "[ . 1 .]"
2 40 MET 4.754 0.399 1 0 "[ . 1 .]"
2 41 ASP 2.968 0.284 3 0 "[ . 1 .]"
2 42 ASN 4.617 0.171 4 0 "[ . 1 .]"
2 43 ASN 3.471 0.163 1 0 "[ . 1 .]"
2 44 ALA 3.578 0.254 5 0 "[ . 1 .]"
2 45 ALA 9.504 0.399 1 0 "[ . 1 .]"
2 46 ALA 2.720 0.159 10 0 "[ . 1 .]"
2 47 ILE 9.565 0.353 7 0 "[ . 1 .]"
2 48 LYS 2.849 0.253 3 0 "[ . 1 .]"
2 49 ALA 2.308 0.321 12 0 "[ . 1 .]"
2 50 LEU 8.389 0.353 7 0 "[ . 1 .]"
2 51 GLU 5.463 1.307 12 1 "[ . 1 + .]"
2 52 LEU 8.731 0.362 6 0 "[ . 1 .]"
2 53 TYR 1.995 0.362 6 0 "[ . 1 .]"
2 54 LYS 7.343 1.307 12 1 "[ . 1 + .]"
2 55 ILE 12.805 0.354 4 0 "[ . 1 .]"
2 56 ASN 0.023 0.023 7 0 "[ . 1 .]"
2 57 ALA 13.045 0.364 4 0 "[ . 1 .]"
2 58 LYS 6.450 0.364 4 0 "[ . 1 .]"
2 59 LEU 3.404 0.266 7 0 "[ . 1 .]"
2 60 CYS 2.529 0.266 7 0 "[ . 1 .]"
2 61 ASP 0.678 0.098 13 0 "[ . 1 .]"
2 62 PRO 0.000 0.000 . 0 "[ . 1 .]"
2 63 HIS 0.000 0.000 . 0 "[ . 1 .]"
2 64 PRO 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 38 LEU H 1 39 PRO QD 4.000 . 4.500 4.294 3.971 4.398 . 0 0 "[ . 1 .]" 1
2 1 39 PRO HA 1 40 GLY H 4.000 . 4.500 2.193 2.180 2.220 . 0 0 "[ . 1 .]" 1
3 1 39 PRO QB 1 40 GLY H 4.000 . 4.500 3.195 3.152 3.231 . 0 0 "[ . 1 .]" 1
4 1 39 PRO QG 1 40 GLY H 5.000 . 5.500 4.633 4.610 4.677 . 0 0 "[ . 1 .]" 1
5 1 39 PRO HA 1 41 VAL H 4.000 . 4.500 3.290 3.266 3.315 . 0 0 "[ . 1 .]" 1
6 1 28 PRO HA 1 29 GLU H 4.000 . 4.500 3.525 3.453 3.553 . 0 0 "[ . 1 .]" 1
7 1 2 ALA HA 1 3 ASP H 4.000 . 4.500 3.208 2.230 3.574 . 0 0 "[ . 1 .]" 1
8 1 2 ALA MB 1 3 ASP H 5.000 . 5.500 2.738 2.118 3.688 . 0 0 "[ . 1 .]" 1
9 1 1 SER HA 1 2 ALA H 4.000 . 4.500 2.921 2.156 3.576 . 0 0 "[ . 1 .]" 1
10 1 1 SER QB 1 2 ALA H 4.000 . 4.500 2.805 1.966 3.861 . 0 0 "[ . 1 .]" 1
11 1 1 SER QB 1 3 ASP H 5.000 . 5.500 4.294 2.242 5.509 0.009 2 0 "[ . 1 .]" 1
12 1 49 ARG H 1 50 ASN H 3.000 . 3.500 2.720 2.637 2.751 . 0 0 "[ . 1 .]" 1
13 1 48 ILE H 1 49 ARG H 3.000 . 3.500 2.667 2.615 2.717 . 0 0 "[ . 1 .]" 1
14 1 49 ARG H 1 51 ALA H 5.000 . 5.500 4.106 4.046 4.208 . 0 0 "[ . 1 .]" 1
15 1 48 ILE H 1 50 ASN H 5.000 . 5.500 4.191 4.079 4.250 . 0 0 "[ . 1 .]" 1
16 1 48 ILE H 1 51 ALA H 5.000 . 5.500 4.680 4.622 4.751 . 0 0 "[ . 1 .]" 1
17 1 49 ARG HA 1 52 MET H 4.000 . 4.500 3.593 3.528 3.652 . 0 0 "[ . 1 .]" 1
18 1 51 ALA HA 1 52 MET H 4.000 . 4.500 3.551 3.548 3.558 . 0 0 "[ . 1 .]" 1
19 1 48 ILE HA 1 52 MET H 5.000 . 5.500 4.169 4.034 4.390 . 0 0 "[ . 1 .]" 1
20 1 49 ARG HA 1 50 ASN H 4.000 . 4.500 3.552 3.527 3.561 . 0 0 "[ . 1 .]" 1
21 1 47 ALA HA 1 50 ASN H 5.000 . 5.500 3.626 3.508 3.711 . 0 0 "[ . 1 .]" 1
22 1 46 GLU HA 1 50 ASN H 5.000 . 5.500 3.914 3.806 4.059 . 0 0 "[ . 1 .]" 1
23 1 49 ARG HA 1 51 ALA H 4.000 . 4.500 4.442 4.377 4.510 0.010 11 0 "[ . 1 .]" 1
24 1 48 ILE HA 1 51 ALA H 4.000 . 4.500 3.496 3.425 3.561 . 0 0 "[ . 1 .]" 1
25 1 51 ALA H 1 51 ALA HA 3.000 . 3.500 2.814 2.807 2.824 . 0 0 "[ . 1 .]" 1
26 1 49 ARG H 1 49 ARG QB 3.000 . 3.500 2.281 2.241 2.368 . 0 0 "[ . 1 .]" 1
27 1 49 ARG QB 1 50 ASN H 4.000 . 4.500 2.471 2.413 2.585 . 0 0 "[ . 1 .]" 1
28 1 49 ARG QG 1 50 ASN H 4.000 . 4.500 3.686 3.450 4.136 . 0 0 "[ . 1 .]" 1
29 1 49 ARG H 1 49 ARG QG 4.000 . 4.500 3.526 2.274 4.038 . 0 0 "[ . 1 .]" 1
30 1 47 ALA HA 1 49 ARG H 4.000 . 4.500 4.562 4.545 4.579 0.079 4 0 "[ . 1 .]" 1
31 1 40 GLY H 1 41 VAL H 3.000 . 3.500 2.545 2.515 2.560 . 0 0 "[ . 1 .]" 1
32 1 53 GLY H 1 54 SER H 3.000 . 3.500 2.705 2.682 2.738 . 0 0 "[ . 1 .]" 1
33 1 52 MET H 1 53 GLY H 3.000 . 3.500 2.638 2.620 2.652 . 0 0 "[ . 1 .]" 1
34 1 51 ALA H 1 53 GLY H 5.000 . 5.500 4.122 4.087 4.144 . 0 0 "[ . 1 .]" 1
35 1 53 GLY QA 1 55 LEU H 5.000 . 5.500 4.078 3.984 4.229 . 0 0 "[ . 1 .]" 1
36 1 53 GLY QA 1 56 ALA H 5.000 . 5.500 3.547 3.484 3.654 . 0 0 "[ . 1 .]" 1
37 1 54 SER HA 1 56 ALA H 4.000 . 4.500 4.471 4.379 4.553 0.053 12 0 "[ . 1 .]" 1
38 1 57 SER H 1 57 SER HA 3.000 . 3.500 2.615 2.298 2.848 . 0 0 "[ . 1 .]" 1
39 1 57 SER HA 1 58 GLN H 4.000 . 4.500 3.063 2.188 3.552 . 0 0 "[ . 1 .]" 1
40 1 57 SER H 1 57 SER QB 3.000 . 3.500 2.693 2.247 3.319 . 0 0 "[ . 1 .]" 1
41 1 57 SER QB 1 58 GLN H 4.000 . 4.500 3.215 2.478 3.890 . 0 0 "[ . 1 .]" 1
42 1 7 SER HA 1 8 SER H 4.000 . 4.500 2.639 2.148 3.553 . 0 0 "[ . 1 .]" 1
43 1 32 GLN H 1 33 SER H 3.000 . 3.500 2.688 2.668 2.710 . 0 0 "[ . 1 .]" 1
44 1 33 SER H 1 34 VAL H 3.000 . 3.500 2.674 2.619 2.708 . 0 0 "[ . 1 .]" 1
45 1 31 LEU H 1 33 SER H 4.000 . 4.500 4.207 4.160 4.236 . 0 0 "[ . 1 .]" 1
46 1 33 SER H 1 35 LEU H 4.000 . 4.500 4.251 4.153 4.349 . 0 0 "[ . 1 .]" 1
47 1 33 SER H 1 36 GLU H 5.000 . 5.500 4.782 4.695 4.859 . 0 0 "[ . 1 .]" 1
48 1 33 SER H 1 33 SER HA 3.000 . 3.500 2.818 2.812 2.829 . 0 0 "[ . 1 .]" 1
49 1 33 SER HA 1 34 VAL H 3.000 . 3.500 3.534 3.517 3.544 0.044 11 0 "[ . 1 .]" 1
50 1 33 SER H 1 33 SER QB 3.000 . 3.500 2.377 2.254 2.481 . 0 0 "[ . 1 .]" 1
51 1 33 SER QB 1 34 VAL H 4.000 . 4.500 2.728 2.500 3.450 . 0 0 "[ . 1 .]" 1
52 1 52 MET H 1 54 SER H 4.000 . 4.500 4.245 4.206 4.308 . 0 0 "[ . 1 .]" 1
53 1 54 SER H 1 55 LEU H 3.000 . 3.500 2.620 2.562 2.670 . 0 0 "[ . 1 .]" 1
54 1 54 SER H 1 54 SER HA 3.000 . 3.500 2.838 2.829 2.852 . 0 0 "[ . 1 .]" 1
55 1 36 GLU H 1 37 ASN H 3.000 . 3.500 2.622 2.587 2.662 . 0 0 "[ . 1 .]" 1
56 1 35 LEU H 1 36 GLU H 3.000 . 3.500 2.672 2.655 2.690 . 0 0 "[ . 1 .]" 1
57 1 36 GLU H 1 36 GLU HA 3.000 . 3.500 2.830 2.822 2.842 . 0 0 "[ . 1 .]" 1
58 1 36 GLU HA 1 37 ASN H 4.000 . 4.500 3.530 3.520 3.541 . 0 0 "[ . 1 .]" 1
59 1 35 LEU HA 1 37 ASN H 4.000 . 4.500 4.343 4.289 4.376 . 0 0 "[ . 1 .]" 1
60 1 34 VAL HA 1 37 ASN H 4.000 . 4.500 3.436 3.372 3.500 . 0 0 "[ . 1 .]" 1
61 1 33 SER HA 1 37 ASN H 5.000 . 5.500 4.179 3.979 4.335 . 0 0 "[ . 1 .]" 1
62 1 36 GLU QB 1 37 ASN H 4.000 . 4.500 2.620 2.568 2.669 . 0 0 "[ . 1 .]" 1
63 1 36 GLU QG 1 37 ASN H 5.000 . 5.500 3.824 3.587 4.266 . 0 0 "[ . 1 .]" 1
64 1 36 GLU H 1 36 GLU QG 4.000 . 4.500 3.512 2.263 4.011 . 0 0 "[ . 1 .]" 1
65 1 36 GLU H 1 38 LEU H 4.000 . 4.500 4.161 4.112 4.224 . 0 0 "[ . 1 .]" 1
66 1 32 GLN HA 1 36 GLU H 5.000 . 5.500 4.200 3.998 4.369 . 0 0 "[ . 1 .]" 1
67 1 33 SER HA 1 36 GLU H 4.000 . 4.500 3.490 3.428 3.540 . 0 0 "[ . 1 .]" 1
68 1 34 VAL HA 1 36 GLU H 4.000 . 4.500 4.416 4.346 4.482 . 0 0 "[ . 1 .]" 1
69 1 37 ASN H 1 38 LEU H 3.000 . 3.500 2.692 2.671 2.731 . 0 0 "[ . 1 .]" 1
70 1 60 THR H 1 60 THR HA 3.000 . 3.500 2.871 2.309 2.960 . 0 0 "[ . 1 .]" 1
71 1 44 ASN H 1 45 ASN H 3.000 . 3.500 2.516 2.434 2.571 . 0 0 "[ . 1 .]" 1
72 1 44 ASN H 1 44 ASN HA 3.000 . 3.500 2.873 2.848 2.904 . 0 0 "[ . 1 .]" 1
73 1 44 ASN H 1 44 ASN QB 3.000 . 3.500 2.345 2.223 2.544 . 0 0 "[ . 1 .]" 1
74 1 43 PRO HA 1 44 ASN H 3.000 . 3.500 3.466 3.446 3.508 0.008 2 0 "[ . 1 .]" 1
75 1 43 PRO QB 1 44 ASN H 4.000 . 4.500 3.325 2.837 3.455 . 0 0 "[ . 1 .]" 1
76 1 43 PRO QG 1 44 ASN H 5.000 . 5.500 3.016 2.721 3.963 . 0 0 "[ . 1 .]" 1
77 1 43 PRO QD 1 44 ASN H 5.000 . 5.500 2.766 2.650 3.012 . 0 0 "[ . 1 .]" 1
78 1 42 ASP HA 1 44 ASN H 5.000 . 5.500 3.974 3.921 4.088 . 0 0 "[ . 1 .]" 1
79 1 42 ASP QB 1 44 ASN H 4.000 . 4.500 2.490 2.348 2.658 . 0 0 "[ . 1 .]" 1
80 1 44 ASN H 1 48 ILE MG 5.000 . 5.500 5.124 4.955 5.414 . 0 0 "[ . 1 .]" 1
81 1 51 ALA H 1 52 MET H 3.000 . 3.500 2.712 2.684 2.733 . 0 0 "[ . 1 .]" 1
82 1 52 MET HA 1 53 GLY H 4.000 . 4.500 3.538 3.533 3.544 . 0 0 "[ . 1 .]" 1
83 1 51 ALA HA 1 53 GLY H 4.000 . 4.500 4.400 4.374 4.436 . 0 0 "[ . 1 .]" 1
84 1 50 ASN HA 1 53 GLY H 4.000 . 4.500 3.429 3.365 3.474 . 0 0 "[ . 1 .]" 1
85 1 49 ARG HA 1 53 GLY H 5.000 . 5.500 4.350 4.208 4.449 . 0 0 "[ . 1 .]" 1
86 1 52 MET HA 1 54 SER H 4.000 . 4.500 4.492 4.460 4.547 0.047 1 0 "[ . 1 .]" 1
87 1 53 GLY QA 1 54 SER H 4.000 . 4.500 2.683 2.667 2.693 . 0 0 "[ . 1 .]" 1
88 1 51 ALA HA 1 54 SER H 4.000 . 4.500 3.561 3.516 3.628 . 0 0 "[ . 1 .]" 1
89 1 51 ALA HA 1 55 LEU H 5.000 . 5.500 4.134 3.973 4.229 . 0 0 "[ . 1 .]" 1
90 1 54 SER HA 1 55 LEU H 4.000 . 4.500 3.538 3.523 3.556 . 0 0 "[ . 1 .]" 1
91 1 54 SER QB 1 55 LEU H 4.000 . 4.500 2.897 2.446 3.454 . 0 0 "[ . 1 .]" 1
92 1 52 MET QB 1 53 GLY H 4.000 . 4.500 2.627 2.582 2.703 . 0 0 "[ . 1 .]" 1
93 1 52 MET H 1 52 MET QB 3.000 . 3.500 2.312 2.142 2.399 . 0 0 "[ . 1 .]" 1
94 1 52 MET QG 1 53 GLY H 5.000 . 5.500 4.227 4.059 4.559 . 0 0 "[ . 1 .]" 1
95 1 52 MET H 1 52 MET QG 3.000 . 3.500 2.589 2.169 3.559 0.059 6 0 "[ . 1 .]" 1
96 1 8 SER QB 1 9 ALA H 4.000 . 4.500 3.131 2.374 3.944 . 0 0 "[ . 1 .]" 1
97 1 35 LEU H 1 37 ASN H 4.000 . 4.500 4.098 4.040 4.157 . 0 0 "[ . 1 .]" 1
98 1 37 ASN QB 1 38 LEU H 4.000 . 4.500 2.603 2.527 2.685 . 0 0 "[ . 1 .]" 1
99 1 35 LEU QD 1 38 LEU H 5.000 . 5.500 4.798 4.657 4.866 . 0 0 "[ . 1 .]" 1
100 1 37 ASN H 1 37 ASN QB 3.000 . 3.500 2.284 2.246 2.358 . 0 0 "[ . 1 .]" 1
101 1 50 ASN H 1 51 ALA H 3.000 . 3.500 2.655 2.625 2.694 . 0 0 "[ . 1 .]" 1
102 1 50 ASN HA 1 54 SER H 5.000 . 5.500 4.201 4.102 4.296 . 0 0 "[ . 1 .]" 1
103 1 50 ASN HA 1 51 ALA H 4.000 . 4.500 3.540 3.531 3.548 . 0 0 "[ . 1 .]" 1
104 1 50 ASN H 1 50 ASN QB 3.000 . 3.500 2.316 2.243 2.358 . 0 0 "[ . 1 .]" 1
105 1 50 ASN QB 1 51 ALA H 4.000 . 4.500 2.591 2.493 2.646 . 0 0 "[ . 1 .]" 1
106 1 13 SER H 1 13 SER HA 3.000 . 3.500 2.843 2.300 2.956 . 0 0 "[ . 1 .]" 1
107 1 13 SER H 1 13 SER QB 3.000 . 3.500 2.623 2.262 3.294 . 0 0 "[ . 1 .]" 1
108 1 13 SER HA 1 14 GLU H 3.000 . 3.500 2.718 2.256 3.540 0.040 6 0 "[ . 1 .]" 1
109 1 13 SER QB 1 14 GLU H 4.000 . 4.500 3.074 2.488 3.870 . 0 0 "[ . 1 .]" 1
110 1 29 GLU H 1 30 PHE H 3.000 . 3.500 2.701 2.647 2.748 . 0 0 "[ . 1 .]" 1
111 1 29 GLU H 1 31 LEU H 4.000 . 4.500 4.182 4.058 4.301 . 0 0 "[ . 1 .]" 1
112 1 29 GLU HA 1 30 PHE H 4.000 . 4.500 3.549 3.533 3.557 . 0 0 "[ . 1 .]" 1
113 1 29 GLU HA 1 32 GLN H 5.000 . 5.500 3.530 3.437 3.608 . 0 0 "[ . 1 .]" 1
114 1 29 GLU QB 1 30 PHE H 3.000 . 3.500 2.520 2.432 2.612 . 0 0 "[ . 1 .]" 1
115 1 29 GLU H 1 29 GLU QG 4.000 . 4.500 2.941 2.216 4.057 . 0 0 "[ . 1 .]" 1
116 1 29 GLU QG 1 30 PHE H 4.000 . 4.500 3.889 3.496 4.155 . 0 0 "[ . 1 .]" 1
117 1 27 ASP HA 1 29 GLU H 5.000 . 5.500 3.431 3.287 3.524 . 0 0 "[ . 1 .]" 1
118 1 70 GLU H 1 70 GLU HA 3.000 . 3.500 2.719 2.295 2.961 . 0 0 "[ . 1 .]" 1
119 1 70 GLU H 1 70 GLU QB 3.000 . 3.500 2.644 2.256 3.350 . 0 0 "[ . 1 .]" 1
120 1 70 GLU H 1 70 GLU QG 4.000 . 4.500 2.710 2.098 4.043 . 0 0 "[ . 1 .]" 1
121 1 46 GLU H 1 47 ALA H 4.000 . 4.500 2.629 2.594 2.664 . 0 0 "[ . 1 .]" 1
122 1 45 ASN H 1 47 ALA H 5.000 . 5.500 5.621 5.423 5.698 0.198 2 0 "[ . 1 .]" 1
123 1 45 ASN H 1 46 GLU H 4.000 . 4.500 4.563 4.535 4.601 0.101 11 0 "[ . 1 .]" 1
124 1 46 GLU H 1 48 ILE H 5.000 . 5.500 4.312 4.247 4.401 . 0 0 "[ . 1 .]" 1
125 1 46 GLU HA 1 47 ALA H 4.000 . 4.500 3.526 3.503 3.537 . 0 0 "[ . 1 .]" 1
126 1 45 ASN HA 1 47 ALA H 4.000 . 4.500 3.949 3.799 4.039 . 0 0 "[ . 1 .]" 1
127 1 46 GLU H 1 46 GLU QB 3.000 . 3.500 2.353 2.259 2.467 . 0 0 "[ . 1 .]" 1
128 1 46 GLU QB 1 47 ALA H 4.000 . 4.500 2.767 2.608 3.528 . 0 0 "[ . 1 .]" 1
129 1 46 GLU H 1 46 GLU QG 4.000 . 4.500 2.915 2.022 3.956 . 0 0 "[ . 1 .]" 1
130 1 46 GLU QG 1 47 ALA H 4.000 . 4.500 3.851 2.137 4.488 . 0 0 "[ . 1 .]" 1
131 1 69 GLU H 1 69 GLU HA 3.000 . 3.500 2.616 2.297 2.921 . 0 0 "[ . 1 .]" 1
132 1 69 GLU H 1 69 GLU QB 3.000 . 3.500 2.892 2.260 3.316 . 0 0 "[ . 1 .]" 1
133 1 69 GLU H 1 69 GLU QG 4.000 . 4.500 2.820 2.272 4.038 . 0 0 "[ . 1 .]" 1
134 1 68 LYS QB 1 69 GLU H 4.000 . 4.500 2.916 1.804 3.840 . 0 0 "[ . 1 .]" 1
135 1 68 LYS QG 1 69 GLU H 5.000 . 5.500 3.870 2.575 4.591 . 0 0 "[ . 1 .]" 1
136 1 66 ASP HA 1 67 LYS H 4.000 . 4.500 2.671 2.159 3.542 . 0 0 "[ . 1 .]" 1
137 1 66 ASP QB 1 67 LYS H 5.000 . 5.500 3.299 1.954 4.045 . 0 0 "[ . 1 .]" 1
138 1 11 ASP H 1 11 ASP QB 3.000 . 3.500 2.506 2.248 3.321 . 0 0 "[ . 1 .]" 1
139 1 71 ASP H 1 71 ASP HA 3.000 . 3.500 2.869 2.306 2.945 . 0 0 "[ . 1 .]" 1
140 1 70 GLU QB 1 71 ASP H 4.000 . 4.500 3.051 1.725 3.874 0.075 10 0 "[ . 1 .]" 1
141 1 62 ASP HA 1 63 GLY H 4.000 . 4.500 2.831 2.167 3.580 . 0 0 "[ . 1 .]" 1
142 1 62 ASP QB 1 63 GLY H 5.000 . 5.500 3.147 2.176 3.993 . 0 0 "[ . 1 .]" 1
143 1 62 ASP H 1 62 ASP QB 3.000 . 3.500 2.491 2.252 3.284 . 0 0 "[ . 1 .]" 1
144 1 21 ASP H 1 22 TYR H 3.000 . 3.500 2.642 2.518 2.942 . 0 0 "[ . 1 .]" 1
145 1 21 ASP HA 1 22 TYR H 3.000 . 3.500 3.378 2.608 3.536 0.036 4 0 "[ . 1 .]" 1
146 1 21 ASP QB 1 22 TYR H 4.000 . 4.500 3.146 2.600 4.028 . 0 0 "[ . 1 .]" 1
147 1 58 GLN HA 1 59 ALA H 3.000 . 3.500 3.349 2.279 3.542 0.042 9 0 "[ . 1 .]" 1
148 1 58 GLN QB 1 59 ALA H 4.000 . 4.500 2.813 2.518 4.031 . 0 0 "[ . 1 .]" 1
149 1 58 GLN QG 1 59 ALA H 4.000 . 4.500 4.033 3.573 4.378 . 0 0 "[ . 1 .]" 1
150 1 57 SER HA 1 59 ALA H 4.000 . 4.500 4.214 3.541 4.630 0.130 11 0 "[ . 1 .]" 1
151 1 58 GLN H 1 58 GLN QB 3.000 . 3.500 2.328 2.253 2.391 . 0 0 "[ . 1 .]" 1
152 1 58 GLN H 1 58 GLN QG 4.000 . 4.500 3.012 2.225 4.006 . 0 0 "[ . 1 .]" 1
153 1 67 LYS H 1 67 LYS HA 3.000 . 3.500 2.772 2.296 2.957 . 0 0 "[ . 1 .]" 1
154 1 67 LYS H 1 67 LYS QG 4.000 . 4.500 2.718 2.170 3.961 . 0 0 "[ . 1 .]" 1
155 1 24 VAL H 1 25 MET H 3.000 . 3.500 2.631 2.555 2.696 . 0 0 "[ . 1 .]" 1
156 1 25 MET H 1 26 GLN H 3.000 . 3.500 2.661 2.613 2.701 . 0 0 "[ . 1 .]" 1
157 1 25 MET H 1 27 ASP H 4.000 . 4.500 4.195 3.994 4.566 0.066 7 0 "[ . 1 .]" 1
158 1 25 MET H 1 25 MET QB 3.000 . 3.500 2.364 2.176 2.483 . 0 0 "[ . 1 .]" 1
159 1 25 MET QB 1 26 GLN H 4.000 . 4.500 2.932 2.702 3.317 . 0 0 "[ . 1 .]" 1
160 1 25 MET H 1 25 MET QG 4.000 . 4.500 2.267 2.029 2.740 . 0 0 "[ . 1 .]" 1
161 1 25 MET QG 1 26 GLN H 4.000 . 4.500 4.263 4.100 4.498 . 0 0 "[ . 1 .]" 1
162 1 25 MET H 1 25 MET HA 3.000 . 3.500 2.814 2.799 2.828 . 0 0 "[ . 1 .]" 1
163 1 72 LYS H 1 72 LYS HA 3.000 . 3.500 2.782 2.312 2.958 . 0 0 "[ . 1 .]" 1
164 1 51 ALA MB 1 53 GLY H 6.000 . 6.500 4.474 4.448 4.494 . 0 0 "[ . 1 .]" 1
165 1 51 ALA MB 1 52 MET H 3.000 . 3.500 2.498 2.450 2.559 . 0 0 "[ . 1 .]" 1
166 1 50 ASN H 1 51 ALA MB 4.000 . 4.500 4.299 4.271 4.345 . 0 0 "[ . 1 .]" 1
167 1 22 TYR H 1 23 ASP H 4.000 . 4.500 4.458 3.633 4.569 0.069 7 0 "[ . 1 .]" 1
168 1 22 TYR QB 1 23 ASP H 4.000 . 4.500 3.718 3.093 4.024 . 0 0 "[ . 1 .]" 1
169 1 22 TYR H 1 22 TYR QD 4.000 . 4.500 4.093 2.407 4.456 . 0 0 "[ . 1 .]" 1
170 1 22 TYR QD 1 23 ASP H 4.000 . 4.500 3.417 3.138 4.092 . 0 0 "[ . 1 .]" 1
171 1 22 TYR QD 1 24 VAL H 5.000 . 5.500 4.105 3.805 4.279 . 0 0 "[ . 1 .]" 1
172 1 4 ILE HA 1 5 ASP H 3.000 . 3.500 2.736 2.142 3.553 0.053 4 0 "[ . 1 .]" 1
173 1 32 GLN H 1 34 VAL H 4.000 . 4.500 4.156 4.065 4.218 . 0 0 "[ . 1 .]" 1
174 1 31 LEU H 1 32 GLN H 3.000 . 3.500 2.671 2.642 2.698 . 0 0 "[ . 1 .]" 1
175 1 32 GLN H 1 32 GLN HA 3.000 . 3.500 2.815 2.810 2.821 . 0 0 "[ . 1 .]" 1
176 1 32 GLN QB 1 33 SER H 4.000 . 4.500 2.530 2.496 2.561 . 0 0 "[ . 1 .]" 1
177 1 32 GLN H 1 32 GLN QB 3.000 . 3.500 2.251 2.242 2.256 . 0 0 "[ . 1 .]" 1
178 1 32 GLN QG 1 33 SER H 4.000 . 4.500 3.680 3.596 4.217 . 0 0 "[ . 1 .]" 1
179 1 32 GLN H 1 32 GLN QG 4.000 . 4.500 3.979 3.946 4.053 . 0 0 "[ . 1 .]" 1
180 1 22 TYR HA 1 23 ASP H 4.000 . 4.500 2.158 2.139 2.250 . 0 0 "[ . 1 .]" 1
181 1 20 ASP H 1 20 ASP QB 3.000 . 3.500 2.338 2.244 2.369 . 0 0 "[ . 1 .]" 1
182 1 30 PHE H 1 32 GLN H 4.000 . 4.500 4.070 4.028 4.108 . 0 0 "[ . 1 .]" 1
183 1 30 PHE H 1 31 LEU H 3.000 . 3.500 2.656 2.599 2.710 . 0 0 "[ . 1 .]" 1
184 1 29 GLU H 1 30 PHE QB 4.000 . 4.500 4.467 4.408 4.508 0.008 11 0 "[ . 1 .]" 1
185 1 30 PHE H 1 30 PHE QD 4.000 . 4.500 4.174 4.160 4.192 . 0 0 "[ . 1 .]" 1
186 1 30 PHE H 1 30 PHE HA 3.000 . 3.500 2.830 2.818 2.842 . 0 0 "[ . 1 .]" 1
187 1 30 PHE H 1 30 PHE QB 3.000 . 3.500 2.262 2.251 2.272 . 0 0 "[ . 1 .]" 1
188 1 30 PHE HA 1 31 LEU H 4.000 . 4.500 3.548 3.540 3.554 . 0 0 "[ . 1 .]" 1
189 1 30 PHE QB 1 31 LEU H 4.000 . 4.500 2.472 2.401 2.534 . 0 0 "[ . 1 .]" 1
190 1 30 PHE HA 1 32 GLN H 5.000 . 5.500 4.396 4.363 4.456 . 0 0 "[ . 1 .]" 1
191 1 30 PHE HA 1 33 SER H 4.000 . 4.500 3.524 3.468 3.600 . 0 0 "[ . 1 .]" 1
192 1 30 PHE HA 1 34 VAL H 5.000 . 5.500 4.447 4.348 4.538 . 0 0 "[ . 1 .]" 1
193 1 34 VAL H 1 36 GLU H 4.000 . 4.500 4.101 4.049 4.130 . 0 0 "[ . 1 .]" 1
194 1 34 VAL H 1 35 LEU H 3.000 . 3.500 2.697 2.664 2.732 . 0 0 "[ . 1 .]" 1
195 1 34 VAL H 1 34 VAL HA 3.000 . 3.500 2.824 2.815 2.830 . 0 0 "[ . 1 .]" 1
196 1 23 ASP H 1 24 VAL H 4.000 . 4.500 4.320 4.165 4.420 . 0 0 "[ . 1 .]" 1
197 1 24 VAL H 1 26 GLN H 4.000 . 4.500 4.046 3.918 4.203 . 0 0 "[ . 1 .]" 1
198 1 24 VAL HA 1 25 MET H 5.000 . 5.500 3.529 3.494 3.554 . 0 0 "[ . 1 .]" 1
199 1 24 VAL HA 1 26 GLN H 5.000 . 5.500 3.854 3.423 4.215 . 0 0 "[ . 1 .]" 1
200 1 18 GLU H 1 18 GLU HA 3.000 . 3.500 2.596 2.287 2.913 . 0 0 "[ . 1 .]" 1
201 1 18 GLU HA 1 19 GLU H 4.000 . 4.500 2.778 2.148 3.557 . 0 0 "[ . 1 .]" 1
202 1 18 GLU H 1 18 GLU QB 3.000 . 3.500 2.804 2.249 3.358 . 0 0 "[ . 1 .]" 1
203 1 18 GLU H 1 18 GLU QG 4.000 . 4.500 3.105 1.777 4.385 0.023 5 0 "[ . 1 .]" 1
204 1 68 LYS H 1 68 LYS HA 3.000 . 3.500 2.764 2.292 2.965 . 0 0 "[ . 1 .]" 1
205 1 68 LYS H 1 68 LYS QB 3.000 . 3.500 2.662 2.242 3.287 . 0 0 "[ . 1 .]" 1
206 1 68 LYS H 1 68 LYS QG 4.000 . 4.500 2.732 1.969 4.161 . 0 0 "[ . 1 .]" 1
207 1 61 LYS HA 1 62 ASP H 3.000 . 3.500 2.886 2.158 3.548 0.048 9 0 "[ . 1 .]" 1
208 1 61 LYS H 1 61 LYS HA 3.000 . 3.500 2.864 2.803 2.953 . 0 0 "[ . 1 .]" 1
209 1 61 LYS QB 1 62 ASP H 4.000 . 4.500 3.087 2.491 3.770 . 0 0 "[ . 1 .]" 1
210 1 61 LYS H 1 61 LYS QB 3.000 . 3.500 2.385 2.259 2.638 . 0 0 "[ . 1 .]" 1
211 1 61 LYS H 1 61 LYS QG 4.000 . 4.500 2.789 2.075 3.985 . 0 0 "[ . 1 .]" 1
212 1 61 LYS H 1 61 LYS QD 5.000 . 5.500 3.964 3.427 4.500 . 0 0 "[ . 1 .]" 1
213 1 60 THR HA 1 61 LYS H 4.000 . 4.500 2.595 2.145 3.517 . 0 0 "[ . 1 .]" 1
214 1 60 THR HB 1 61 LYS H 4.000 . 4.500 3.466 2.117 4.363 . 0 0 "[ . 1 .]" 1
215 1 14 GLU H 1 14 GLU QB 3.000 . 3.500 2.680 2.089 3.307 . 0 0 "[ . 1 .]" 1
216 1 14 GLU H 1 14 GLU QG 4.000 . 4.500 3.366 2.506 4.128 . 0 0 "[ . 1 .]" 1
217 1 14 GLU H 1 15 PRO QD 4.000 . 4.500 2.704 2.044 4.330 . 0 0 "[ . 1 .]" 1
218 1 55 LEU H 1 56 ALA H 4.000 . 4.500 2.704 2.669 2.760 . 0 0 "[ . 1 .]" 1
219 1 55 LEU H 1 55 LEU HA 3.000 . 3.500 2.811 2.794 2.824 . 0 0 "[ . 1 .]" 1
220 1 55 LEU HA 1 56 ALA H 3.000 . 3.500 3.546 3.542 3.551 0.051 9 0 "[ . 1 .]" 1
221 1 54 SER H 1 55 LEU QB 5.000 . 5.500 4.376 4.316 4.412 . 0 0 "[ . 1 .]" 1
222 1 55 LEU QB 1 56 ALA H 4.000 . 4.500 2.484 2.434 2.526 . 0 0 "[ . 1 .]" 1
223 1 56 ALA HA 1 57 SER H 3.000 . 3.500 3.485 3.326 3.546 0.046 1 0 "[ . 1 .]" 1
224 1 55 LEU HA 1 57 SER H 4.000 . 4.500 4.302 3.938 4.551 0.051 12 0 "[ . 1 .]" 1
225 1 54 SER HA 1 57 SER H 4.000 . 4.500 3.392 3.060 3.550 . 0 0 "[ . 1 .]" 1
226 1 56 ALA H 1 56 ALA HA 3.000 . 3.500 2.844 2.809 2.926 . 0 0 "[ . 1 .]" 1
227 1 56 ALA MB 1 57 SER H 3.000 . 3.500 2.748 2.478 3.229 . 0 0 "[ . 1 .]" 1
228 1 56 ALA MB 1 58 GLN H 5.000 . 5.500 4.159 2.217 5.510 0.010 8 0 "[ . 1 .]" 1
229 1 55 LEU H 1 56 ALA MB 4.000 . 4.500 4.346 4.246 4.511 0.011 5 0 "[ . 1 .]" 1
230 1 23 ASP HA 1 25 MET H 5.000 . 5.500 3.827 3.623 3.909 . 0 0 "[ . 1 .]" 1
231 1 23 ASP HA 1 24 VAL H 4.000 . 4.500 2.142 2.127 2.154 . 0 0 "[ . 1 .]" 1
232 1 23 ASP QB 1 24 VAL H 5.000 . 5.500 3.459 3.234 3.922 . 0 0 "[ . 1 .]" 1
233 1 23 ASP H 1 23 ASP QB 3.000 . 3.500 2.436 2.303 2.536 . 0 0 "[ . 1 .]" 1
234 1 23 ASP QB 1 25 MET H 5.000 . 5.500 3.345 2.802 4.338 . 0 0 "[ . 1 .]" 1
235 1 47 ALA H 1 48 ILE H 3.000 . 3.500 2.727 2.681 2.760 . 0 0 "[ . 1 .]" 1
236 1 47 ALA H 1 47 ALA HA 3.000 . 3.500 2.816 2.810 2.827 . 0 0 "[ . 1 .]" 1
237 1 46 GLU HA 1 48 ILE H 5.000 . 5.500 4.427 4.325 4.486 . 0 0 "[ . 1 .]" 1
238 1 47 ALA HA 1 48 ILE H 4.000 . 4.500 3.550 3.542 3.559 . 0 0 "[ . 1 .]" 1
239 1 47 ALA MB 1 48 ILE H 4.000 . 4.500 2.522 2.411 2.619 . 0 0 "[ . 1 .]" 1
240 1 31 LEU HA 1 33 SER H 4.000 . 4.500 4.384 4.353 4.416 . 0 0 "[ . 1 .]" 1
241 1 32 GLN HA 1 33 SER H 4.000 . 4.500 3.546 3.541 3.552 . 0 0 "[ . 1 .]" 1
242 1 31 LEU HA 1 32 GLN H 4.000 . 4.500 3.536 3.530 3.541 . 0 0 "[ . 1 .]" 1
243 1 31 LEU HA 1 34 VAL H 4.000 . 4.500 3.432 3.390 3.514 . 0 0 "[ . 1 .]" 1
244 1 32 GLN HA 1 34 VAL H 4.000 . 4.500 4.374 4.231 4.458 . 0 0 "[ . 1 .]" 1
245 1 31 LEU H 1 31 LEU HA 3.000 . 3.500 2.824 2.818 2.831 . 0 0 "[ . 1 .]" 1
246 1 31 LEU HA 1 35 LEU H 4.000 . 4.500 4.275 4.103 4.498 . 0 0 "[ . 1 .]" 1
247 1 32 GLN HA 1 35 LEU H 4.000 . 4.500 3.502 3.451 3.592 . 0 0 "[ . 1 .]" 1
248 1 31 LEU QB 1 32 GLN H 5.000 . 5.500 2.597 2.581 2.610 . 0 0 "[ . 1 .]" 1
249 1 30 PHE H 1 31 LEU QB 4.000 . 4.500 4.556 4.515 4.600 0.100 14 0 "[ . 1 .]" 1
250 1 19 GLU H 1 19 GLU HA 3.000 . 3.500 2.801 2.265 2.960 . 0 0 "[ . 1 .]" 1
251 1 19 GLU QB 1 20 ASP H 4.000 . 4.500 2.935 2.297 3.638 . 0 0 "[ . 1 .]" 1
252 1 19 GLU H 1 19 GLU QB 3.000 . 3.500 2.451 2.218 3.488 . 0 0 "[ . 1 .]" 1
253 1 19 GLU QG 1 20 ASP H 4.000 . 4.500 3.807 2.186 4.580 0.080 14 0 "[ . 1 .]" 1
254 1 19 GLU H 1 19 GLU QG 3.000 . 3.500 2.451 2.042 3.937 0.437 4 0 "[ . 1 .]" 1
255 1 41 VAL H 1 42 ASP H 4.000 . 4.500 4.369 4.321 4.429 . 0 0 "[ . 1 .]" 1
256 1 42 ASP H 1 45 ASN H 5.000 . 5.500 4.026 3.494 4.282 . 0 0 "[ . 1 .]" 1
257 1 35 LEU HA 1 36 GLU H 4.000 . 4.500 3.537 3.528 3.543 . 0 0 "[ . 1 .]" 1
258 1 35 LEU H 1 35 LEU HA 3.000 . 3.500 2.820 2.813 2.825 . 0 0 "[ . 1 .]" 1
259 1 35 LEU QB 1 36 GLU H 4.000 . 4.500 2.564 2.526 2.609 . 0 0 "[ . 1 .]" 1
260 1 34 VAL H 1 35 LEU QB 4.000 . 4.500 4.596 4.559 4.639 0.139 1 0 "[ . 1 .]" 1
261 1 35 LEU H 1 35 LEU QB 3.000 . 3.500 2.351 2.336 2.367 . 0 0 "[ . 1 .]" 1
262 1 45 ASN HA 1 46 GLU H 4.000 . 4.500 2.167 2.153 2.204 . 0 0 "[ . 1 .]" 1
263 1 45 ASN QB 1 46 GLU H 4.000 . 4.500 3.190 2.924 3.629 . 0 0 "[ . 1 .]" 1
264 1 45 ASN H 1 45 ASN QB 3.000 . 3.500 2.224 2.061 2.335 . 0 0 "[ . 1 .]" 1
265 1 42 ASP H 1 45 ASN QD 5.000 . 5.500 2.844 1.778 4.576 0.022 13 0 "[ . 1 .]" 1
266 1 45 ASN QD 1 47 ALA H 5.000 . 5.500 4.663 2.974 5.341 . 0 0 "[ . 1 .]" 1
267 1 10 MET H 1 10 MET HA 3.000 . 3.500 2.809 2.298 2.960 . 0 0 "[ . 1 .]" 1
268 1 10 MET H 1 10 MET QG 4.000 . 4.500 3.032 2.076 4.160 . 0 0 "[ . 1 .]" 1
269 1 3 ASP HA 1 4 ILE H 4.000 . 4.500 2.774 2.170 3.561 . 0 0 "[ . 1 .]" 1
270 1 3 ASP QB 1 4 ILE H 5.000 . 5.500 3.302 2.092 3.959 . 0 0 "[ . 1 .]" 1
271 1 17 LYS H 1 17 LYS HA 3.000 . 3.500 2.818 2.287 2.948 . 0 0 "[ . 1 .]" 1
272 1 17 LYS HA 1 18 GLU H 4.000 2.800 4.500 3.174 2.444 3.579 0.356 7 0 "[ . 1 .]" 1
273 1 17 LYS H 1 17 LYS QB 3.000 . 3.500 2.489 2.224 3.131 . 0 0 "[ . 1 .]" 1
274 1 17 LYS H 1 17 LYS QG 3.000 . 3.500 2.371 1.816 3.029 . 0 0 "[ . 1 .]" 1
275 1 17 LYS H 1 17 LYS QD 4.000 . 4.500 3.857 3.558 4.382 . 0 0 "[ . 1 .]" 1
276 1 17 LYS QB 1 18 GLU H 4.000 . 4.500 2.619 1.787 3.658 0.013 1 0 "[ . 1 .]" 1
277 1 17 LYS QG 1 18 GLU H 5.000 . 5.500 3.559 1.880 4.264 . 0 0 "[ . 1 .]" 1
278 1 17 LYS QD 1 18 GLU H 5.000 . 5.500 4.348 2.273 5.272 . 0 0 "[ . 1 .]" 1
279 1 16 ALA H 1 16 ALA MB 3.000 . 3.500 2.287 2.034 2.763 . 0 0 "[ . 1 .]" 1
280 1 16 ALA MB 1 17 LYS H 4.000 . 4.500 2.803 1.807 3.705 . 0 0 "[ . 1 .]" 1
281 1 15 PRO HA 1 16 ALA H 4.000 . 4.500 2.894 2.207 3.531 . 0 0 "[ . 1 .]" 1
282 1 15 PRO QB 1 16 ALA H 5.000 . 5.500 3.183 2.897 3.502 . 0 0 "[ . 1 .]" 1
283 1 15 PRO QG 1 16 ALA H 5.000 . 5.500 3.763 2.414 4.678 . 0 0 "[ . 1 .]" 1
284 1 5 ASP HA 1 6 ALA H 4.000 . 4.500 2.831 2.144 3.542 . 0 0 "[ . 1 .]" 1
285 1 9 ALA MB 1 10 MET H 5.000 . 5.500 2.832 2.504 3.464 . 0 0 "[ . 1 .]" 1
286 1 9 ALA HA 1 10 MET H 4.000 . 4.500 2.877 2.189 3.546 . 0 0 "[ . 1 .]" 1
287 1 59 ALA HA 1 60 THR H 3.000 . 3.500 2.905 2.199 3.544 0.044 12 0 "[ . 1 .]" 1
288 1 59 ALA H 1 59 ALA HA 3.000 . 3.500 2.798 2.302 2.919 . 0 0 "[ . 1 .]" 1
289 1 59 ALA MB 1 60 THR H 4.000 . 4.500 2.759 2.481 3.408 . 0 0 "[ . 1 .]" 1
290 1 59 ALA H 1 59 ALA MB 3.000 . 3.500 2.254 2.031 2.839 . 0 0 "[ . 1 .]" 1
291 1 6 ALA HA 1 7 SER H 4.000 . 4.500 2.674 2.190 3.541 . 0 0 "[ . 1 .]" 1
292 1 6 ALA MB 1 7 SER H 4.000 . 4.500 2.947 1.780 3.699 0.020 4 0 "[ . 1 .]" 1
293 1 73 LYS H 1 73 LYS HA 3.000 . 3.500 2.798 2.295 2.959 . 0 0 "[ . 1 .]" 1
294 1 73 LYS H 1 73 LYS QD 5.000 . 5.500 4.273 3.663 5.059 . 0 0 "[ . 1 .]" 1
295 1 72 LYS HA 1 73 LYS H 4.000 . 4.500 2.951 2.215 3.552 . 0 0 "[ . 1 .]" 1
296 1 42 ASP H 1 42 ASP QB 3.000 . 3.500 2.698 2.540 3.164 . 0 0 "[ . 1 .]" 1
297 1 42 ASP H 1 45 ASN HA 5.000 . 5.500 5.414 4.908 5.585 0.085 3 0 "[ . 1 .]" 1
298 1 64 LYS H 1 64 LYS HA 3.000 . 3.500 2.814 2.311 2.961 . 0 0 "[ . 1 .]" 1
299 1 64 LYS H 1 64 LYS QB 3.000 . 3.500 2.459 2.251 3.244 . 0 0 "[ . 1 .]" 1
300 1 64 LYS H 1 64 LYS QG 4.000 . 4.500 2.791 1.992 4.057 . 0 0 "[ . 1 .]" 1
301 1 26 GLN H 1 27 ASP H 3.000 . 3.500 2.605 2.508 2.717 . 0 0 "[ . 1 .]" 1
302 1 26 GLN HA 1 27 ASP H 4.000 . 4.500 3.315 3.152 3.524 . 0 0 "[ . 1 .]" 1
303 1 26 GLN H 1 26 GLN QB 3.000 . 3.500 2.336 2.247 2.423 . 0 0 "[ . 1 .]" 1
304 1 26 GLN QB 1 27 ASP H 4.000 . 4.500 3.250 2.679 3.569 . 0 0 "[ . 1 .]" 1
305 1 26 GLN H 1 26 GLN QG 4.000 . 4.500 2.878 2.185 3.958 . 0 0 "[ . 1 .]" 1
306 1 26 GLN QG 1 27 ASP H 4.000 . 4.500 4.255 3.769 4.443 . 0 0 "[ . 1 .]" 1
307 1 27 ASP H 1 27 ASP QB 3.000 . 3.500 2.616 2.442 2.895 . 0 0 "[ . 1 .]" 1
308 1 24 VAL HA 1 27 ASP H 5.000 . 5.500 3.786 3.645 4.001 . 0 0 "[ . 1 .]" 1
309 1 27 ASP H 1 28 PRO QD 5.000 . 5.500 3.101 2.909 3.404 . 0 0 "[ . 1 .]" 1
310 1 27 ASP H 1 28 PRO QG 5.000 . 5.500 4.704 4.383 5.191 . 0 0 "[ . 1 .]" 1
311 1 27 ASP H 1 31 LEU QD 5.000 . 5.500 3.707 3.383 4.447 . 0 0 "[ . 1 .]" 1
312 1 60 THR H 1 60 THR HB 4.000 . 4.500 3.352 2.501 3.999 . 0 0 "[ . 1 .]" 1
313 1 60 THR H 1 60 THR MG 4.000 . 4.500 2.913 2.179 3.945 . 0 0 "[ . 1 .]" 1
314 1 60 THR MG 1 61 LYS H 5.000 . 5.500 3.422 2.224 4.070 . 0 0 "[ . 1 .]" 1
315 1 63 GLY QA 1 64 LYS H 3.000 . 3.500 2.511 2.276 2.927 . 0 0 "[ . 1 .]" 1
316 1 55 LEU H 1 55 LEU HG 4.000 . 4.500 4.452 4.438 4.462 . 0 0 "[ . 1 .]" 1
317 1 55 LEU HG 1 56 ALA H 4.000 . 4.500 3.670 3.563 3.724 . 0 0 "[ . 1 .]" 1
318 1 55 LEU H 1 55 LEU QD 4.000 . 4.500 3.650 3.635 3.670 . 0 0 "[ . 1 .]" 1
319 1 55 LEU QD 1 56 ALA H 4.000 . 4.500 3.872 3.799 3.912 . 0 0 "[ . 1 .]" 1
320 1 48 ILE H 1 48 ILE HA 3.000 . 3.500 2.828 2.815 2.841 . 0 0 "[ . 1 .]" 1
321 1 48 ILE HB 1 49 ARG H 4.000 . 4.500 2.628 2.503 2.725 . 0 0 "[ . 1 .]" 1
322 1 48 ILE H 1 48 ILE HB 4.000 . 4.500 2.312 2.216 2.457 . 0 0 "[ . 1 .]" 1
323 1 48 ILE H 1 48 ILE MG 4.000 . 4.500 3.691 3.635 3.749 . 0 0 "[ . 1 .]" 1
324 1 48 ILE H 1 48 ILE QG 4.000 . 4.500 2.954 2.160 3.469 . 0 0 "[ . 1 .]" 1
325 1 48 ILE MD 1 49 ARG H 4.000 . 4.500 4.239 3.900 4.731 0.231 5 0 "[ . 1 .]" 1
326 1 48 ILE QG 1 49 ARG H 5.000 . 5.500 4.311 3.992 4.507 . 0 0 "[ . 1 .]" 1
327 1 48 ILE MG 1 49 ARG H 5.000 . 5.500 3.070 2.869 3.391 . 0 0 "[ . 1 .]" 1
328 1 48 ILE H 1 48 ILE MD 4.000 . 4.500 2.615 1.896 3.811 . 0 0 "[ . 1 .]" 1
329 1 40 GLY QA 1 41 VAL H 3.000 . 3.500 2.932 2.922 2.941 . 0 0 "[ . 1 .]" 1
330 1 41 VAL H 1 41 VAL HA 3.000 . 3.500 2.959 2.951 2.966 . 0 0 "[ . 1 .]" 1
331 1 41 VAL HA 1 42 ASP H 4.000 . 4.500 2.152 2.135 2.170 . 0 0 "[ . 1 .]" 1
332 1 41 VAL H 1 41 VAL HB 3.000 . 3.500 2.561 2.485 2.656 . 0 0 "[ . 1 .]" 1
333 1 41 VAL HB 1 42 ASP H 4.000 . 4.500 4.225 4.153 4.266 . 0 0 "[ . 1 .]" 1
334 1 40 GLY H 1 41 VAL QG 4.000 . 4.500 4.309 4.173 4.449 . 0 0 "[ . 1 .]" 1
335 1 41 VAL H 1 41 VAL QG 4.000 . 4.500 2.604 2.483 2.820 . 0 0 "[ . 1 .]" 1
336 1 45 ASN H 1 48 ILE MG 5.000 . 5.500 4.403 4.203 4.811 . 0 0 "[ . 1 .]" 1
337 1 44 ASN HA 1 45 ASN H 3.000 . 3.500 3.380 3.283 3.465 . 0 0 "[ . 1 .]" 1
338 1 44 ASN QB 1 45 ASN H 4.000 . 4.500 3.243 2.931 3.871 . 0 0 "[ . 1 .]" 1
339 1 43 PRO HA 1 45 ASN H 5.000 . 5.500 3.649 3.450 3.932 . 0 0 "[ . 1 .]" 1
340 1 41 VAL QG 1 42 ASP H 3.000 . 3.500 2.656 2.460 2.712 . 0 0 "[ . 1 .]" 1
341 1 34 VAL H 1 34 VAL HB 3.000 . 3.500 2.419 2.400 2.444 . 0 0 "[ . 1 .]" 1
342 1 34 VAL HA 1 35 LEU H 4.000 . 4.500 3.553 3.544 3.565 . 0 0 "[ . 1 .]" 1
343 1 34 VAL HB 1 35 LEU H 3.000 . 3.500 2.537 2.481 2.572 . 0 0 "[ . 1 .]" 1
344 1 33 SER H 1 34 VAL QG 5.000 . 5.500 4.152 4.089 4.190 . 0 0 "[ . 1 .]" 1
345 1 34 VAL H 1 34 VAL QG 3.000 . 3.500 2.272 2.215 2.385 . 0 0 "[ . 1 .]" 1
346 1 34 VAL QG 1 35 LEU H 4.000 . 4.500 3.098 3.053 3.125 . 0 0 "[ . 1 .]" 1
347 1 31 LEU H 1 31 LEU HG 3.000 . 3.500 2.297 2.270 2.316 . 0 0 "[ . 1 .]" 1
348 1 31 LEU QD 1 32 GLN H 4.000 . 4.500 4.113 4.102 4.125 . 0 0 "[ . 1 .]" 1
349 1 31 LEU H 1 31 LEU QD 4.000 . 4.500 3.147 3.133 3.162 . 0 0 "[ . 1 .]" 1
350 1 12 THR H 1 12 THR HB 4.000 . 4.500 2.962 2.317 3.895 . 0 0 "[ . 1 .]" 1
351 1 12 THR HA 1 13 SER H 3.000 . 3.500 2.801 2.145 3.550 0.050 10 0 "[ . 1 .]" 1
352 1 12 THR HB 1 13 SER H 4.000 . 4.500 3.669 2.420 4.240 . 0 0 "[ . 1 .]" 1
353 1 12 THR MG 1 13 SER H 4.000 . 4.500 3.113 2.149 4.051 . 0 0 "[ . 1 .]" 1
354 1 12 THR H 1 12 THR MG 4.000 . 4.500 3.182 2.058 3.874 . 0 0 "[ . 1 .]" 1
355 1 4 ILE H 1 4 ILE HB 4.000 . 4.500 2.925 2.396 3.798 . 0 0 "[ . 1 .]" 1
356 1 4 ILE HB 1 5 ASP H 4.000 . 4.500 3.429 2.519 4.264 . 0 0 "[ . 1 .]" 1
357 1 4 ILE MG 1 5 ASP H . . 4.500 3.232 2.126 4.041 . 0 0 "[ . 1 .]" 1
358 1 4 ILE H 1 4 ILE QG 4.000 . 4.500 2.677 1.866 4.116 . 0 0 "[ . 1 .]" 1
359 1 4 ILE H 1 4 ILE MD 5.000 . 5.500 3.837 3.409 4.733 . 0 0 "[ . 1 .]" 1
360 1 4 ILE MD 1 5 ASP H 5.000 . 5.500 4.577 4.150 5.181 . 0 0 "[ . 1 .]" 1
361 1 24 VAL H 1 24 VAL HB 3.000 . 3.500 2.434 2.394 2.482 . 0 0 "[ . 1 .]" 1
362 1 24 VAL QG 1 25 MET H 4.000 . 4.500 3.221 3.166 3.357 . 0 0 "[ . 1 .]" 1
363 1 24 VAL H 1 24 VAL QG 4.000 . 4.500 2.190 2.094 2.283 . 0 0 "[ . 1 .]" 1
364 1 24 VAL QG 1 26 GLN H 5.000 . 5.500 4.288 3.995 4.480 . 0 0 "[ . 1 .]" 1
365 1 35 LEU HG 1 36 GLU H 5.000 . 5.500 4.375 4.343 4.420 . 0 0 "[ . 1 .]" 1
366 1 35 LEU H 1 35 LEU HG 3.000 . 3.500 2.261 2.214 2.304 . 0 0 "[ . 1 .]" 1
367 1 35 LEU QD 1 36 GLU H 4.000 . 4.500 4.093 4.066 4.130 . 0 0 "[ . 1 .]" 1
368 1 35 LEU QD 1 37 ASN H 5.000 . 5.500 5.355 5.268 5.395 . 0 0 "[ . 1 .]" 1
369 1 35 LEU H 1 35 LEU QD 4.000 . 4.500 3.113 3.068 3.145 . 0 0 "[ . 1 .]" 1
370 1 37 ASN H 1 37 ASN QD 4.000 . 4.500 4.263 3.579 4.594 0.094 4 0 "[ . 1 .]" 1
371 1 38 LEU H 1 38 LEU HG 3.000 . 3.500 2.252 1.989 3.839 0.339 11 0 "[ . 1 .]" 1
372 1 38 LEU H 1 38 LEU QD 4.000 . 4.500 2.989 2.085 3.105 . 0 0 "[ . 1 .]" 1
373 1 65 LYS H 1 65 LYS HA 3.000 . 3.500 2.763 2.294 2.958 . 0 0 "[ . 1 .]" 1
374 1 65 LYS QB 1 66 ASP H 4.000 . 4.500 3.004 1.705 3.928 0.095 11 0 "[ . 1 .]" 1
375 1 65 LYS H 1 65 LYS QG 4.000 . 4.500 2.621 2.152 4.104 . 0 0 "[ . 1 .]" 1
376 1 37 ASN HA 1 38 LEU H 5.000 . 5.500 3.539 3.531 3.569 . 0 0 "[ . 1 .]" 1
377 1 47 ALA MB 1 50 ASN H 5.500 . 6.000 4.719 4.629 4.780 . 0 0 "[ . 1 .]" 1
378 1 46 GLU QG 1 50 ASN QD 5.000 . 5.500 4.359 2.020 5.454 . 0 0 "[ . 1 .]" 1
379 1 22 TYR QE 1 23 ASP H 5.000 . 5.500 4.426 4.115 5.517 0.017 7 0 "[ . 1 .]" 1
380 1 22 TYR QE 1 24 VAL H 5.000 . 5.500 3.949 3.602 4.341 . 0 0 "[ . 1 .]" 1
381 1 51 ALA HA 1 54 SER QB 4.000 . 4.500 3.220 2.853 3.738 . 0 0 "[ . 1 .]" 1
382 1 54 SER HA 1 57 SER QB 4.000 . 4.500 3.584 2.716 4.667 0.167 5 0 "[ . 1 .]" 1
383 1 39 PRO HA 1 39 PRO QD 4.000 . 4.500 3.387 3.354 3.408 . 0 0 "[ . 1 .]" 1
384 1 38 LEU HA 1 39 PRO QD 4.000 . 4.500 2.059 1.996 2.087 . 0 0 "[ . 1 .]" 1
385 1 38 LEU QD 1 39 PRO QD 5.000 . 5.500 2.460 2.238 3.447 . 0 0 "[ . 1 .]" 1
386 1 28 PRO HA 1 31 LEU QB 4.000 . 4.500 2.588 2.338 2.844 . 0 0 "[ . 1 .]" 1
387 1 28 PRO HA 1 31 LEU QD 4.000 . 4.500 2.716 2.543 3.022 . 0 0 "[ . 1 .]" 1
388 1 28 PRO HA 1 55 LEU QD 5.000 . 5.500 4.446 3.779 5.277 . 0 0 "[ . 1 .]" 1
389 1 27 ASP HA 1 28 PRO QD 4.000 . 4.500 2.166 2.106 2.234 . 0 0 "[ . 1 .]" 1
390 1 46 GLU HA 1 49 ARG QB 3.000 . 3.500 2.609 2.371 2.829 . 0 0 "[ . 1 .]" 1
391 1 53 GLY QA 1 56 ALA MB 4.000 . 4.500 2.949 2.649 3.562 . 0 0 "[ . 1 .]" 1
392 1 38 LEU HA 1 38 LEU QD 3.000 . 3.500 2.107 2.079 2.258 . 0 0 "[ . 1 .]" 1
393 1 38 LEU HA 1 38 LEU HG 3.000 . 3.500 2.818 2.230 2.889 . 0 0 "[ . 1 .]" 1
394 1 60 THR HA 1 60 THR HB 3.000 . 3.500 2.648 2.438 3.027 . 0 0 "[ . 1 .]" 1
395 1 60 THR HA 1 60 THR MG 3.000 . 3.500 2.317 2.257 2.413 . 0 0 "[ . 1 .]" 1
396 1 47 ALA HA 1 50 ASN QB 3.000 . 3.500 2.779 2.615 2.911 . 0 0 "[ . 1 .]" 1
397 1 29 GLU HA 1 29 GLU QG 3.000 . 3.500 2.492 2.314 2.923 . 0 0 "[ . 1 .]" 1
398 1 29 GLU HA 1 32 GLN QB 3.000 . 3.500 2.728 2.534 2.890 . 0 0 "[ . 1 .]" 1
399 1 46 GLU HA 1 46 GLU QG 3.000 . 3.500 2.447 2.271 3.308 . 0 0 "[ . 1 .]" 1
400 1 67 LYS HA 1 67 LYS QG 3.000 . 3.500 2.360 2.295 2.528 . 0 0 "[ . 1 .]" 1
401 1 67 LYS HA 1 67 LYS QD 4.000 . 4.500 3.779 2.276 4.165 . 0 0 "[ . 1 .]" 1
402 1 67 LYS QB 1 67 LYS QD 3.000 . 3.500 2.165 2.129 2.238 . 0 0 "[ . 1 .]" 1
403 1 68 LYS HA 1 68 LYS QG 3.000 . 3.500 2.576 2.311 3.310 . 0 0 "[ . 1 .]" 1
404 1 68 LYS QB 1 68 LYS QD 3.000 . 3.500 2.192 2.130 2.313 . 0 0 "[ . 1 .]" 1
405 1 72 LYS HA 1 72 LYS QG 3.000 . 3.500 2.518 2.303 3.316 . 0 0 "[ . 1 .]" 1
406 1 48 ILE HA 1 51 ALA MB 3.000 . 3.500 2.590 2.421 2.876 . 0 0 "[ . 1 .]" 1
407 1 51 ALA MB 1 52 MET ME 4.000 . 4.500 2.763 2.273 3.784 . 0 0 "[ . 1 .]" 1
408 1 22 TYR HA 1 22 TYR QD 4.000 . 4.500 2.742 2.449 3.674 . 0 0 "[ . 1 .]" 1
409 1 4 ILE HA 1 4 ILE MD 4.000 . 4.500 3.767 2.110 4.129 . 0 0 "[ . 1 .]" 1
410 1 32 GLN HA 1 32 GLN QG 3.000 . 3.500 2.475 2.280 2.869 . 0 0 "[ . 1 .]" 1
411 1 32 GLN HA 1 35 LEU QD 3.000 . 3.500 2.605 2.356 2.918 . 0 0 "[ . 1 .]" 1
412 1 30 PHE HA 1 30 PHE QD 4.000 . 4.500 2.611 2.523 2.795 . 0 0 "[ . 1 .]" 1
413 1 30 PHE HA 1 33 SER QB 5.000 . 5.500 3.042 2.867 3.552 . 0 0 "[ . 1 .]" 1
414 1 24 VAL HA 1 24 VAL HB 3.000 . 3.500 3.022 3.018 3.024 . 0 0 "[ . 1 .]" 1
415 1 24 VAL HA 1 24 VAL QG 3.000 . 3.500 2.094 2.065 2.108 . 0 0 "[ . 1 .]" 1
416 1 61 LYS HA 1 61 LYS QG 3.000 . 3.500 2.505 2.297 3.310 . 0 0 "[ . 1 .]" 1
417 1 61 LYS HA 1 61 LYS QD 4.000 . 4.500 3.895 2.167 4.443 . 0 0 "[ . 1 .]" 1
418 1 55 LEU HA 1 55 LEU HG 4.000 . 4.500 3.061 3.011 3.099 . 0 0 "[ . 1 .]" 1
419 1 55 LEU HA 1 55 LEU QD 4.000 . 4.500 2.087 2.070 2.101 . 0 0 "[ . 1 .]" 1
420 1 52 MET HA 1 55 LEU QB 4.000 . 4.500 2.588 2.521 2.678 . 0 0 "[ . 1 .]" 1
421 1 25 MET ME 1 31 LEU QD 4.000 . 4.500 2.782 2.142 3.415 . 0 0 "[ . 1 .]" 1
422 1 25 MET ME 1 55 LEU QD 4.000 . 4.500 2.405 1.976 3.152 . 0 0 "[ . 1 .]" 1
423 1 31 LEU HA 1 34 VAL QG 3.000 . 3.500 2.829 2.407 3.088 . 0 0 "[ . 1 .]" 1
424 1 31 LEU HA 1 31 LEU QD 3.000 . 3.500 2.129 2.120 2.141 . 0 0 "[ . 1 .]" 1
425 1 35 LEU HA 1 35 LEU QD 3.000 . 3.500 2.117 1.973 2.140 . 0 0 "[ . 1 .]" 1
426 1 35 LEU HA 1 38 LEU QD 3.000 . 3.500 2.278 2.130 2.380 . 0 0 "[ . 1 .]" 1
427 1 35 LEU QD 1 38 LEU QD 4.000 . 4.500 2.349 2.005 2.553 . 0 0 "[ . 1 .]" 1
428 1 32 GLN HA 1 35 LEU QB 3.000 . 3.500 2.798 2.614 3.046 . 0 0 "[ . 1 .]" 1
429 1 10 MET HA 1 10 MET ME 5.000 . 5.500 4.012 2.854 4.487 . 0 0 "[ . 1 .]" 1
430 1 10 MET QB 1 10 MET ME 4.000 . 4.500 2.723 2.093 3.676 . 0 0 "[ . 1 .]" 1
431 1 17 LYS QB 1 17 LYS QD 3.000 . 3.500 2.176 2.126 2.287 . 0 0 "[ . 1 .]" 1
432 1 48 ILE HA 1 48 ILE MG 3.000 . 3.500 2.469 2.315 2.568 . 0 0 "[ . 1 .]" 1
433 1 48 ILE HA 1 48 ILE MD 4.000 . 4.500 2.343 2.087 2.559 . 0 0 "[ . 1 .]" 1
434 1 43 PRO HA 1 48 ILE MG 5.000 . 5.500 2.419 2.250 2.749 . 0 0 "[ . 1 .]" 1
435 1 42 ASP HA 1 43 PRO QD 5.000 . 5.500 2.078 1.989 2.129 . 0 0 "[ . 1 .]" 1
436 1 64 LYS HA 1 64 LYS QG 3.000 . 3.500 2.514 2.292 3.313 . 0 0 "[ . 1 .]" 1
437 1 64 LYS HA 1 64 LYS QD 4.000 . 4.500 3.513 2.129 4.268 . 0 0 "[ . 1 .]" 1
438 1 26 GLN HA 1 26 GLN QG 3.000 . 3.500 2.521 2.246 2.871 . 0 0 "[ . 1 .]" 1
439 1 48 ILE QG 1 48 ILE MG 3.000 . 3.500 2.203 2.077 2.456 . 0 0 "[ . 1 .]" 1
440 1 34 VAL HA 1 34 VAL HB 3.000 . 3.500 3.025 3.023 3.028 . 0 0 "[ . 1 .]" 1
441 1 31 LEU HA 1 34 VAL HB 3.000 . 3.500 2.818 2.679 2.962 . 0 0 "[ . 1 .]" 1
442 1 35 LEU HA 1 35 LEU HG 4.000 . 4.500 2.843 2.802 2.987 . 0 0 "[ . 1 .]" 1
443 1 24 VAL QG 1 31 LEU QD 5.000 . 5.500 1.901 1.832 2.102 . 0 0 "[ . 1 .]" 1
444 1 24 VAL QG 1 30 PHE QD 5.000 . 5.500 2.859 2.339 3.649 . 0 0 "[ . 1 .]" 1
445 1 30 PHE QD 1 31 LEU HA 4.000 . 4.500 3.406 3.214 3.529 . 0 0 "[ . 1 .]" 1
446 1 30 PHE QD 1 31 LEU HG 4.000 . 4.500 3.288 2.987 3.433 . 0 0 "[ . 1 .]" 1
447 1 30 PHE QD 1 31 LEU QD 4.000 . 4.500 2.853 2.667 2.988 . 0 0 "[ . 1 .]" 1
448 1 30 PHE QE 1 31 LEU QD 5.000 . 5.500 3.930 3.569 4.158 . 0 0 "[ . 1 .]" 1
449 1 30 PHE QD 1 34 VAL QG 4.000 . 4.500 3.222 2.841 3.562 . 0 0 "[ . 1 .]" 1
450 1 30 PHE QE 1 34 VAL QG 4.000 . 4.500 2.822 2.467 3.091 . 0 0 "[ . 1 .]" 1
451 1 24 VAL QG 1 30 PHE QE 5.500 . 6.000 3.667 2.928 4.607 . 0 0 "[ . 1 .]" 1
452 1 22 TYR QE 1 24 VAL MG1 4.000 . 4.500 3.787 3.398 4.059 . 0 0 "[ . 1 .]" 1
453 1 22 TYR QE 1 24 VAL MG2 4.000 . 4.500 2.073 2.041 2.146 . 0 0 "[ . 1 .]" 1
454 1 22 TYR QE 1 24 VAL HB 4.000 . 4.500 4.579 4.338 4.645 0.145 13 0 "[ . 1 .]" 1
455 1 22 TYR QE 1 24 VAL HA 4.000 . 4.500 2.921 2.225 3.235 . 0 0 "[ . 1 .]" 1
456 1 22 TYR QD 1 24 VAL MG1 5.000 . 5.500 5.342 4.893 5.635 0.135 2 0 "[ . 1 .]" 1
457 1 22 TYR QD 1 24 VAL MG2 5.000 . 5.500 3.073 2.463 3.499 . 0 0 "[ . 1 .]" 1
458 1 22 TYR QD 1 24 VAL HB 5.500 . 6.000 5.595 5.174 5.783 . 0 0 "[ . 1 .]" 1
459 1 22 TYR QD 1 24 VAL HA 5.000 . 5.500 4.375 3.203 4.683 . 0 0 "[ . 1 .]" 1
460 1 25 MET HA 1 31 LEU QD 4.000 . 4.500 2.324 2.096 2.802 . 0 0 "[ . 1 .]" 1
461 1 25 MET HA 1 55 LEU QD 4.000 . 4.500 3.867 3.278 4.203 . 0 0 "[ . 1 .]" 1
462 1 35 LEU QD 1 43 PRO QB 5.000 . 5.500 5.404 4.927 5.631 0.131 7 0 "[ . 1 .]" 1
463 1 35 LEU QD 1 52 MET ME 4.000 . 4.500 2.240 1.897 2.501 . 0 0 "[ . 1 .]" 1
464 1 32 GLN QB 1 33 SER HA 4.500 . 5.000 4.080 4.053 4.098 . 0 0 "[ . 1 .]" 1
465 1 32 GLN QG 1 33 SER HA 4.500 . 5.000 3.718 3.603 4.679 . 0 0 "[ . 1 .]" 1
466 1 36 GLU HA 1 41 VAL QG 5.000 . 5.500 3.156 2.769 4.011 . 0 0 "[ . 1 .]" 1
467 1 38 LEU QD 1 41 VAL QG 4.000 . 4.500 2.598 2.437 2.899 . 0 0 "[ . 1 .]" 1
468 1 52 MET HA 1 55 LEU QD 5.000 . 5.500 3.315 3.107 3.423 . 0 0 "[ . 1 .]" 1
469 1 31 LEU QB 1 52 MET ME 4.000 . 4.500 3.660 2.906 4.181 . 0 0 "[ . 1 .]" 1
470 1 31 LEU QD 1 52 MET ME 4.000 . 4.500 3.766 3.256 4.168 . 0 0 "[ . 1 .]" 1
471 1 48 ILE MG 1 52 MET ME 4.000 . 4.500 3.304 2.725 4.142 . 0 0 "[ . 1 .]" 1
472 2 63 HIS H 2 64 PRO QD 4.000 . 4.500 3.148 2.028 4.422 . 0 0 "[ . 1 .]" 1
473 2 18 THR H 2 20 GLY H 5.000 . 5.500 4.628 4.076 5.403 . 0 0 "[ . 1 .]" 1
474 2 18 THR H 2 19 GLU H 3.000 . 3.500 2.452 2.351 2.621 . 0 0 "[ . 1 .]" 1
475 2 16 GLN H 2 18 THR H 4.000 . 4.500 4.125 4.034 4.231 . 0 0 "[ . 1 .]" 1
476 2 17 LEU H 2 18 THR H 3.000 . 3.500 2.596 2.513 2.724 . 0 0 "[ . 1 .]" 1
477 2 18 THR H 2 18 THR HA 3.000 . 3.500 2.887 2.855 2.913 . 0 0 "[ . 1 .]" 1
478 2 19 GLU H 2 20 GLY H 3.000 . 3.500 2.616 2.294 3.191 . 0 0 "[ . 1 .]" 1
479 2 20 GLY QA 2 21 CYS H 4.000 . 4.500 2.220 2.125 2.265 . 0 0 "[ . 1 .]" 1
480 2 20 GLY QA 2 22 GLY H 5.000 . 5.500 3.111 3.057 3.260 . 0 0 "[ . 1 .]" 1
481 2 20 GLY QA 2 32 ALA H 5.000 . 5.500 2.490 1.795 2.938 0.005 14 0 "[ . 1 .]" 1
482 2 20 GLY QA 2 33 SER H 5.000 . 5.500 4.200 3.832 4.798 . 0 0 "[ . 1 .]" 1
483 2 36 THR H 2 37 PHE H 3.000 . 3.500 2.501 2.254 2.852 . 0 0 "[ . 1 .]" 1
484 2 36 THR H 2 36 THR HA 3.000 . 3.500 2.899 2.855 2.945 . 0 0 "[ . 1 .]" 1
485 2 36 THR HA 2 37 PHE H 4.000 . 4.500 3.308 3.071 3.463 . 0 0 "[ . 1 .]" 1
486 2 35 PRO HA 2 37 PHE H 4.000 . 4.500 3.867 3.599 4.125 . 0 0 "[ . 1 .]" 1
487 2 53 TYR H 2 55 ILE H 4.000 . 4.500 4.240 3.932 4.319 . 0 0 "[ . 1 .]" 1
488 2 53 TYR H 2 53 TYR QD 4.000 . 4.500 4.179 4.167 4.203 . 0 0 "[ . 1 .]" 1
489 2 10 ILE H 2 53 TYR QD 5.000 . 5.500 3.867 3.548 4.333 . 0 0 "[ . 1 .]" 1
490 2 10 ILE H 2 53 TYR QE 5.000 . 5.500 4.433 4.099 4.926 . 0 0 "[ . 1 .]" 1
491 2 9 LEU H 2 53 TYR QD 5.000 . 5.500 4.943 4.558 5.230 . 0 0 "[ . 1 .]" 1
492 2 9 LEU H 2 53 TYR QE 5.000 . 5.500 4.426 4.028 4.901 . 0 0 "[ . 1 .]" 1
493 2 9 LEU H 2 13 TYR QE 5.000 . 5.500 5.767 5.618 5.948 0.448 5 0 "[ . 1 .]" 1
494 2 55 ILE H 2 57 ALA H 4.000 . 4.500 3.925 3.804 4.011 . 0 0 "[ . 1 .]" 1
495 2 55 ILE H 2 56 ASN H 3.000 . 3.500 2.425 2.293 2.478 . 0 0 "[ . 1 .]" 1
496 2 52 LEU H 2 55 ILE H 5.000 . 5.500 4.880 4.682 4.975 . 0 0 "[ . 1 .]" 1
497 2 54 LYS H 2 55 ILE H 3.000 . 3.500 2.771 2.560 2.818 . 0 0 "[ . 1 .]" 1
498 2 55 ILE H 2 55 ILE HA 3.000 . 3.500 2.900 2.885 2.924 . 0 0 "[ . 1 .]" 1
499 2 55 ILE HA 2 57 ALA H 4.000 . 4.500 4.692 4.618 4.765 0.265 5 0 "[ . 1 .]" 1
500 2 55 ILE HA 2 56 ASN H 4.000 . 4.500 3.317 3.269 3.360 . 0 0 "[ . 1 .]" 1
501 2 50 LEU H 2 53 TYR H 5.000 . 5.500 4.840 4.749 4.918 . 0 0 "[ . 1 .]" 1
502 2 47 ILE H 2 50 LEU H 4.000 . 4.500 4.706 4.654 4.789 0.289 2 0 "[ . 1 .]" 1
503 2 50 LEU H 2 51 GLU H 3.000 . 3.500 2.687 2.672 2.705 . 0 0 "[ . 1 .]" 1
504 2 48 LYS H 2 50 LEU H 4.000 . 4.500 4.143 4.093 4.216 . 0 0 "[ . 1 .]" 1
505 2 49 ALA H 2 50 LEU H 3.000 . 3.500 2.685 2.650 2.706 . 0 0 "[ . 1 .]" 1
506 2 50 LEU H 2 52 LEU H 4.000 . 4.500 4.104 4.036 4.156 . 0 0 "[ . 1 .]" 1
507 2 50 LEU H 2 50 LEU HA 3.000 . 3.500 2.834 2.826 2.841 . 0 0 "[ . 1 .]" 1
508 2 50 LEU HA 2 51 GLU H 4.000 . 4.500 3.548 3.543 3.553 . 0 0 "[ . 1 .]" 1
509 2 50 LEU HA 2 52 LEU H 4.000 . 4.500 4.434 4.381 4.508 0.008 14 0 "[ . 1 .]" 1
510 2 50 LEU QB 2 51 GLU H 4.000 . 4.500 2.487 2.459 2.510 . 0 0 "[ . 1 .]" 1
511 2 26 CYS H 2 27 THR H 4.000 . 4.500 4.308 4.196 4.588 0.088 12 0 "[ . 1 .]" 1
512 2 27 THR H 2 28 ASN H 4.000 . 4.500 2.879 2.390 3.755 . 0 0 "[ . 1 .]" 1
513 2 27 THR HA 2 28 ASN H 5.000 . 5.500 2.933 2.381 3.294 . 0 0 "[ . 1 .]" 1
514 2 28 ASN H 2 35 PRO QD 5.000 . 5.500 5.106 3.712 5.615 0.115 10 0 "[ . 1 .]" 1
515 2 28 ASN H 2 31 CYS QB 5.000 . 5.500 3.758 3.592 4.780 . 0 0 "[ . 1 .]" 1
516 2 28 ASN H 2 34 CYS QB 5.000 . 5.500 3.743 2.933 4.154 . 0 0 "[ . 1 .]" 1
517 2 8 HIS H 2 9 LEU H 3.000 . 3.500 2.727 2.691 2.765 . 0 0 "[ . 1 .]" 1
518 2 6 ALA H 2 8 HIS H 4.000 . 4.500 4.197 4.135 4.270 . 0 0 "[ . 1 .]" 1
519 2 6 ALA H 2 9 LEU H 5.000 . 5.500 4.833 4.683 4.915 . 0 0 "[ . 1 .]" 1
520 2 7 LYS H 2 8 HIS H 3.000 . 3.500 2.682 2.642 2.727 . 0 0 "[ . 1 .]" 1
521 2 8 HIS H 2 10 ILE H 5.000 . 5.500 4.261 4.182 4.386 . 0 0 "[ . 1 .]" 1
522 2 8 HIS H 2 8 HIS HA 3.000 . 3.500 2.815 2.808 2.828 . 0 0 "[ . 1 .]" 1
523 2 8 HIS HA 2 11 GLU H 5.000 . 5.500 3.541 3.500 3.590 . 0 0 "[ . 1 .]" 1
524 2 8 HIS HA 2 9 LEU H 4.000 . 4.500 3.553 3.541 3.560 . 0 0 "[ . 1 .]" 1
525 2 8 HIS HA 2 10 ILE H 5.000 . 5.500 4.574 4.483 4.716 . 0 0 "[ . 1 .]" 1
526 2 8 HIS HA 2 12 ARG H 5.000 . 5.500 3.986 3.781 4.279 . 0 0 "[ . 1 .]" 1
527 2 8 HIS QB 2 9 LEU H 4.000 . 4.500 2.559 2.471 2.608 . 0 0 "[ . 1 .]" 1
528 2 8 HIS H 2 11 GLU H 5.000 . 5.500 4.716 4.650 4.815 . 0 0 "[ . 1 .]" 1
529 2 9 LEU H 2 11 GLU H 4.000 . 4.500 4.143 4.029 4.217 . 0 0 "[ . 1 .]" 1
530 2 11 GLU H 2 12 ARG H 3.000 . 3.500 2.687 2.648 2.719 . 0 0 "[ . 1 .]" 1
531 2 9 LEU QD 2 12 ARG H 5.000 . 5.500 4.772 4.311 4.928 . 0 0 "[ . 1 .]" 1
532 2 11 GLU H 2 13 TYR H 5.000 . 5.500 4.196 4.111 4.248 . 0 0 "[ . 1 .]" 1
533 2 10 ILE H 2 11 GLU H 3.000 . 3.500 2.697 2.672 2.736 . 0 0 "[ . 1 .]" 1
534 2 11 GLU H 2 11 GLU HA 3.000 . 3.500 2.818 2.811 2.826 . 0 0 "[ . 1 .]" 1
535 2 11 GLU HA 2 12 ARG H 4.000 . 4.500 3.553 3.539 3.565 . 0 0 "[ . 1 .]" 1
536 2 11 GLU HA 2 15 HIS H 4.000 . 4.500 3.979 3.767 4.179 . 0 0 "[ . 1 .]" 1
537 2 11 GLU HA 2 13 TYR H 5.000 . 5.500 4.462 4.389 4.560 . 0 0 "[ . 1 .]" 1
538 2 10 ILE MG 2 13 TYR H 5.000 . 5.500 4.616 4.500 4.738 . 0 0 "[ . 1 .]" 1
539 2 11 GLU HA 2 14 TYR H 4.000 . 4.500 3.519 3.396 3.652 . 0 0 "[ . 1 .]" 1
540 2 14 TYR H 2 14 TYR QD 4.000 . 4.500 4.173 4.152 4.184 . 0 0 "[ . 1 .]" 1
541 2 14 TYR QD 2 15 HIS H 4.000 . 4.500 3.198 3.010 3.350 . 0 0 "[ . 1 .]" 1
542 2 14 TYR QD 2 46 ALA H 5.000 . 5.500 3.552 3.303 3.719 . 0 0 "[ . 1 .]" 1
543 2 14 TYR QE 2 45 ALA H 5.000 . 5.500 3.927 3.672 4.317 . 0 0 "[ . 1 .]" 1
544 2 14 TYR QE 2 46 ALA H 5.000 . 5.500 2.718 2.497 3.045 . 0 0 "[ . 1 .]" 1
545 2 13 TYR QD 2 14 TYR H 5.000 . 5.500 4.390 4.300 4.466 . 0 0 "[ . 1 .]" 1
546 2 11 GLU H 2 11 GLU QB 3.000 . 3.500 2.254 2.049 2.393 . 0 0 "[ . 1 .]" 1
547 2 11 GLU QB 2 12 ARG H 4.000 . 4.500 2.569 2.467 2.772 . 0 0 "[ . 1 .]" 1
548 2 11 GLU H 2 11 GLU QG 4.000 . 4.500 3.568 2.185 3.956 . 0 0 "[ . 1 .]" 1
549 2 51 GLU H 2 53 TYR H 4.000 . 4.500 4.171 4.079 4.271 . 0 0 "[ . 1 .]" 1
550 2 52 LEU H 2 53 TYR H 4.000 . 4.500 2.672 2.577 2.789 . 0 0 "[ . 1 .]" 1
551 2 53 TYR H 2 54 LYS H 4.000 . 4.500 2.694 2.588 2.777 . 0 0 "[ . 1 .]" 1
552 2 53 TYR HA 2 55 ILE H 5.000 . 5.500 4.507 4.336 4.644 . 0 0 "[ . 1 .]" 1
553 2 53 TYR H 2 53 TYR HA 3.000 . 3.500 2.820 2.807 2.837 . 0 0 "[ . 1 .]" 1
554 2 53 TYR HA 2 57 ALA H 4.000 . 4.500 4.267 3.962 4.554 0.054 15 0 "[ . 1 .]" 1
555 2 53 TYR HA 2 56 ASN H 4.000 . 4.500 3.291 3.117 3.586 . 0 0 "[ . 1 .]" 1
556 2 53 TYR HA 2 54 LYS H 4.000 . 4.500 3.553 3.530 3.572 . 0 0 "[ . 1 .]" 1
557 2 53 TYR H 2 54 LYS QB 4.000 . 4.500 4.424 4.310 4.643 0.143 13 0 "[ . 1 .]" 1
558 2 52 LEU H 2 53 TYR QB 4.000 . 4.500 4.425 4.325 4.516 0.016 2 0 "[ . 1 .]" 1
559 2 53 TYR QB 2 54 LYS H 4.000 . 4.500 2.508 2.417 2.581 . 0 0 "[ . 1 .]" 1
560 2 30 PHE H 2 31 CYS H 3.000 . 3.500 3.477 3.247 3.532 0.032 5 0 "[ . 1 .]" 1
561 2 29 GLU H 2 30 PHE H 3.000 . 3.500 2.680 2.548 2.728 . 0 0 "[ . 1 .]" 1
562 2 29 GLU H 2 30 PHE QD 5.000 . 5.500 4.327 4.062 4.724 . 0 0 "[ . 1 .]" 1
563 2 28 ASN QD 2 30 PHE QD 5.000 . 5.500 3.737 2.951 6.260 0.760 7 1 "[ . + 1 .]" 1
564 2 30 PHE HA 2 31 CYS H 5.000 . 5.500 2.588 2.532 2.617 . 0 0 "[ . 1 .]" 1
565 2 30 PHE H 2 30 PHE QD 4.000 . 4.500 2.724 2.385 3.199 . 0 0 "[ . 1 .]" 1
566 2 30 PHE QD 2 58 LYS H 4.500 . 5.000 4.984 4.336 5.072 0.072 9 0 "[ . 1 .]" 1
567 2 30 PHE QB 2 31 CYS H 5.000 . 5.500 3.921 3.916 3.938 . 0 0 "[ . 1 .]" 1
568 2 46 ALA H 2 47 ILE H 3.000 . 3.500 2.721 2.687 2.739 . 0 0 "[ . 1 .]" 1
569 2 47 ILE H 2 48 LYS H 3.000 . 3.500 2.676 2.621 2.727 . 0 0 "[ . 1 .]" 1
570 2 47 ILE H 2 49 ALA H 4.000 . 4.500 4.026 3.983 4.074 . 0 0 "[ . 1 .]" 1
571 2 45 ALA H 2 47 ILE H 4.000 . 4.500 4.213 4.123 4.274 . 0 0 "[ . 1 .]" 1
572 2 47 ILE HA 2 50 LEU H 4.000 . 4.500 3.426 3.351 3.505 . 0 0 "[ . 1 .]" 1
573 2 47 ILE H 2 47 ILE HA 3.000 . 3.500 2.832 2.818 2.843 . 0 0 "[ . 1 .]" 1
574 2 47 ILE HA 2 51 GLU H 4.000 . 4.500 4.258 4.156 4.350 . 0 0 "[ . 1 .]" 1
575 2 47 ILE HA 2 48 LYS H 4.000 . 4.500 3.546 3.537 3.553 . 0 0 "[ . 1 .]" 1
576 2 47 ILE HA 2 49 ALA H 4.000 . 4.500 4.380 4.342 4.437 . 0 0 "[ . 1 .]" 1
577 2 21 CYS H 2 22 GLY H 4.000 . 4.500 2.150 2.056 2.181 . 0 0 "[ . 1 .]" 1
578 2 21 CYS H 2 33 SER H 5.000 . 5.500 5.595 5.262 5.718 0.218 10 0 "[ . 1 .]" 1
579 2 21 CYS H 2 32 ALA H 5.000 . 5.500 4.436 4.021 4.725 . 0 0 "[ . 1 .]" 1
580 2 21 CYS H 2 23 ASN H 5.000 . 5.500 3.715 3.592 3.775 . 0 0 "[ . 1 .]" 1
581 2 21 CYS HA 2 22 GLY H 4.000 . 4.500 3.376 3.348 3.393 . 0 0 "[ . 1 .]" 1
582 2 21 CYS QB 2 22 GLY H 5.000 . 5.500 3.708 3.658 3.753 . 0 0 "[ . 1 .]" 1
583 2 21 CYS QB 2 23 ASN H 5.000 . 5.500 3.012 2.805 3.306 . 0 0 "[ . 1 .]" 1
584 2 48 LYS H 2 51 GLU H 5.000 . 5.500 4.829 4.779 4.871 . 0 0 "[ . 1 .]" 1
585 2 49 ALA H 2 51 GLU H 4.000 . 4.500 4.211 4.177 4.251 . 0 0 "[ . 1 .]" 1
586 2 51 GLU H 2 52 LEU H 4.000 . 4.500 2.650 2.604 2.691 . 0 0 "[ . 1 .]" 1
587 2 51 GLU H 2 54 LYS H 5.000 . 5.500 4.868 4.802 5.035 . 0 0 "[ . 1 .]" 1
588 2 51 GLU HA 2 55 ILE H 4.000 . 4.500 4.272 3.888 4.535 0.035 1 0 "[ . 1 .]" 1
589 2 51 GLU HA 2 53 TYR H 4.000 . 4.500 4.352 4.257 4.432 . 0 0 "[ . 1 .]" 1
590 2 51 GLU H 2 51 GLU HA 3.000 . 3.500 2.836 2.824 2.852 . 0 0 "[ . 1 .]" 1
591 2 51 GLU HA 2 52 LEU H 4.000 . 4.500 3.542 3.529 3.551 . 0 0 "[ . 1 .]" 1
592 2 51 GLU HA 2 54 LYS H 4.000 . 4.500 3.422 3.307 3.564 . 0 0 "[ . 1 .]" 1
593 2 51 GLU H 2 51 GLU QB 3.000 . 3.500 2.366 2.348 2.394 . 0 0 "[ . 1 .]" 1
594 2 51 GLU QB 2 52 LEU H 4.000 . 4.500 2.603 2.567 2.638 . 0 0 "[ . 1 .]" 1
595 2 51 GLU H 2 51 GLU QG 4.000 . 4.500 2.256 2.187 2.304 . 0 0 "[ . 1 .]" 1
596 2 51 GLU QG 2 52 LEU H 4.000 . 4.500 4.125 4.081 4.160 . 0 0 "[ . 1 .]" 1
597 2 31 CYS H 2 32 ALA H 4.000 . 4.500 4.229 4.161 4.271 . 0 0 "[ . 1 .]" 1
598 2 31 CYS H 2 34 CYS H 5.000 . 5.500 5.396 4.703 5.663 0.163 14 0 "[ . 1 .]" 1
599 2 31 CYS H 2 31 CYS HA 3.000 . 3.500 2.891 2.845 2.916 . 0 0 "[ . 1 .]" 1
600 2 31 CYS HA 2 32 ALA H 3.000 . 3.500 2.207 2.175 2.236 . 0 0 "[ . 1 .]" 1
601 2 25 ALA H 2 26 CYS H 4.000 . 4.500 4.266 3.380 4.503 0.003 7 0 "[ . 1 .]" 1
602 2 26 CYS HA 2 27 THR H 4.000 . 4.500 2.169 2.152 2.194 . 0 0 "[ . 1 .]" 1
603 2 26 CYS H 2 26 CYS HA 3.000 . 3.500 2.924 2.820 2.962 . 0 0 "[ . 1 .]" 1
604 2 37 PHE H 2 38 LEU H 4.000 . 4.500 4.399 4.144 4.571 0.071 1 0 "[ . 1 .]" 1
605 2 37 PHE H 2 37 PHE HA 3.000 . 3.500 2.936 2.859 2.975 . 0 0 "[ . 1 .]" 1
606 2 37 PHE HA 2 38 LEU H 3.000 . 3.500 2.154 2.079 2.185 . 0 0 "[ . 1 .]" 1
607 2 36 THR H 2 37 PHE QB 4.000 . 4.500 4.138 3.867 4.470 . 0 0 "[ . 1 .]" 1
608 2 31 CYS H 2 37 PHE QB 5.000 . 5.500 3.393 2.573 4.231 . 0 0 "[ . 1 .]" 1
609 2 34 CYS H 2 37 PHE QB 5.000 . 5.500 2.622 1.960 3.907 . 0 0 "[ . 1 .]" 1
610 2 37 PHE QB 2 38 LEU H 4.000 . 4.500 3.721 3.643 3.784 . 0 0 "[ . 1 .]" 1
611 2 31 CYS H 2 37 PHE QD 5.000 . 5.500 3.924 3.467 4.427 . 0 0 "[ . 1 .]" 1
612 2 37 PHE H 2 37 PHE QD 4.000 . 4.500 4.224 4.161 4.344 . 0 0 "[ . 1 .]" 1
613 2 34 CYS H 2 37 PHE QD 5.000 . 5.500 3.615 3.173 4.322 . 0 0 "[ . 1 .]" 1
614 2 37 PHE QD 2 38 LEU H 4.000 . 4.500 3.454 3.360 3.585 . 0 0 "[ . 1 .]" 1
615 2 37 PHE QD 2 39 ARG H 4.000 . 4.500 4.436 4.273 4.668 0.168 14 0 "[ . 1 .]" 1
616 2 56 ASN H 2 57 ALA H 4.000 . 4.500 2.768 2.723 2.861 . 0 0 "[ . 1 .]" 1
617 2 57 ALA H 2 58 LYS H 4.000 . 4.500 4.606 4.586 4.621 0.121 2 0 "[ . 1 .]" 1
618 2 57 ALA H 2 57 ALA HA 3.000 . 3.500 2.781 2.767 2.818 . 0 0 "[ . 1 .]" 1
619 2 57 ALA HA 2 58 LYS H 3.000 . 3.500 2.201 2.183 2.220 . 0 0 "[ . 1 .]" 1
620 2 57 ALA H 2 57 ALA MB 3.000 . 3.500 2.059 2.014 2.229 . 0 0 "[ . 1 .]" 1
621 2 57 ALA MB 2 58 LYS H 4.000 . 4.500 2.939 2.854 3.010 . 0 0 "[ . 1 .]" 1
622 2 3 ARG H 2 4 ALA H 3.000 . 3.500 2.695 2.657 2.774 . 0 0 "[ . 1 .]" 1
623 2 4 ALA H 2 5 ALA H 3.000 . 3.500 2.666 2.621 2.696 . 0 0 "[ . 1 .]" 1
624 2 4 ALA H 2 6 ALA H 5.000 . 5.500 4.150 4.083 4.192 . 0 0 "[ . 1 .]" 1
625 2 5 ALA H 2 6 ALA H 3.000 . 3.500 2.673 2.654 2.694 . 0 0 "[ . 1 .]" 1
626 2 5 ALA H 2 7 LYS H 5.000 . 5.500 4.211 4.147 4.291 . 0 0 "[ . 1 .]" 1
627 2 5 ALA H 2 8 HIS H 5.000 . 5.500 4.831 4.761 4.956 . 0 0 "[ . 1 .]" 1
628 2 4 ALA HA 2 8 HIS H 5.000 . 5.500 4.304 4.191 4.506 . 0 0 "[ . 1 .]" 1
629 2 4 ALA H 2 4 ALA HA 3.000 . 3.500 2.826 2.818 2.839 . 0 0 "[ . 1 .]" 1
630 2 4 ALA HA 2 7 LYS H 4.000 . 4.500 3.482 3.421 3.568 . 0 0 "[ . 1 .]" 1
631 2 4 ALA HA 2 5 ALA H 4.000 . 4.500 3.540 3.535 3.548 . 0 0 "[ . 1 .]" 1
632 2 4 ALA HA 2 6 ALA H 5.000 . 5.500 4.369 4.327 4.417 . 0 0 "[ . 1 .]" 1
633 2 24 GLU H 2 25 ALA H 4.000 . 4.500 2.663 2.627 2.696 . 0 0 "[ . 1 .]" 1
634 2 25 ALA HA 2 26 CYS H 4.000 . 4.500 2.212 2.149 2.632 . 0 0 "[ . 1 .]" 1
635 2 25 ALA H 2 25 ALA HA 3.000 . 3.500 2.949 2.915 2.962 . 0 0 "[ . 1 .]" 1
636 2 25 ALA MB 2 26 CYS H 5.000 . 5.500 3.178 2.726 3.719 . 0 0 "[ . 1 .]" 1
637 2 9 LEU H 2 12 ARG H 4.000 . 4.500 4.661 4.615 4.731 0.231 6 0 "[ . 1 .]" 1
638 2 7 LYS H 2 9 LEU H 5.000 . 5.500 4.208 4.157 4.284 . 0 0 "[ . 1 .]" 1
639 2 9 LEU H 2 10 ILE H 3.000 . 3.500 2.709 2.682 2.779 . 0 0 "[ . 1 .]" 1
640 2 9 LEU HA 2 11 GLU H 5.000 . 5.500 4.530 4.413 4.605 . 0 0 "[ . 1 .]" 1
641 2 9 LEU H 2 9 LEU HA 3.000 . 3.500 2.816 2.810 2.823 . 0 0 "[ . 1 .]" 1
642 2 9 LEU HA 2 12 ARG H 4.000 . 4.500 3.510 3.378 3.584 . 0 0 "[ . 1 .]" 1
643 2 9 LEU HA 2 10 ILE H 4.000 . 4.500 3.553 3.533 3.560 . 0 0 "[ . 1 .]" 1
644 2 9 LEU QB 2 10 ILE H 4.000 . 4.500 2.477 2.433 2.542 . 0 0 "[ . 1 .]" 1
645 2 54 LYS H 2 56 ASN H 4.000 . 4.500 3.725 3.671 3.875 . 0 0 "[ . 1 .]" 1
646 2 56 ASN HA 2 57 ALA H 4.000 . 4.500 2.837 2.812 2.863 . 0 0 "[ . 1 .]" 1
647 2 56 ASN H 2 56 ASN HA 3.000 . 3.500 2.294 2.290 2.309 . 0 0 "[ . 1 .]" 1
648 2 56 ASN QB 2 57 ALA H 4.000 . 4.500 3.871 3.845 3.899 . 0 0 "[ . 1 .]" 1
649 2 6 ALA H 2 7 LYS H 3.000 . 3.500 2.700 2.672 2.748 . 0 0 "[ . 1 .]" 1
650 2 6 ALA HA 2 8 HIS H 5.000 . 5.500 4.503 4.445 4.558 . 0 0 "[ . 1 .]" 1
651 2 6 ALA HA 2 9 LEU H 4.000 . 4.500 3.577 3.450 3.647 . 0 0 "[ . 1 .]" 1
652 2 6 ALA H 2 6 ALA HA 3.000 . 3.500 2.816 2.804 2.821 . 0 0 "[ . 1 .]" 1
653 2 6 ALA HA 2 7 LYS H 4.000 . 4.500 3.547 3.533 3.557 . 0 0 "[ . 1 .]" 1
654 2 6 ALA HA 2 10 ILE H 5.000 . 5.500 4.169 4.028 4.320 . 0 0 "[ . 1 .]" 1
655 2 6 ALA MB 2 7 LYS H 4.000 . 4.500 2.492 2.440 2.555 . 0 0 "[ . 1 .]" 1
656 2 12 ARG H 2 13 TYR H 3.000 . 3.500 2.695 2.669 2.730 . 0 0 "[ . 1 .]" 1
657 2 10 ILE H 2 12 ARG H 4.000 . 4.500 4.132 4.076 4.210 . 0 0 "[ . 1 .]" 1
658 2 12 ARG HA 2 13 TYR H 4.000 . 4.500 3.549 3.542 3.559 . 0 0 "[ . 1 .]" 1
659 2 12 ARG HA 2 14 TYR H 4.000 . 4.500 4.505 4.430 4.562 0.062 11 0 "[ . 1 .]" 1
660 2 12 ARG QB 2 13 TYR H 4.000 . 4.500 2.560 2.514 2.628 . 0 0 "[ . 1 .]" 1
661 2 12 ARG H 2 12 ARG QG 4.000 . 4.500 2.342 2.291 2.390 . 0 0 "[ . 1 .]" 1
662 2 12 ARG QG 2 13 TYR H 5.000 . 5.500 4.148 4.100 4.193 . 0 0 "[ . 1 .]" 1
663 2 12 ARG H 2 12 ARG QD 5.000 . 5.500 3.837 3.577 4.275 . 0 0 "[ . 1 .]" 1
664 2 13 TYR H 2 59 LEU QD . . 4.500 3.889 3.316 4.350 . 0 0 "[ . 1 .]" 1
665 2 13 TYR QE 2 57 ALA H 4.000 . 4.500 4.552 4.354 4.729 0.229 11 0 "[ . 1 .]" 1
666 2 13 TYR QD 2 53 TYR H 4.500 . 5.000 4.061 3.737 4.406 . 0 0 "[ . 1 .]" 1
667 2 13 TYR QE 2 53 TYR H 4.500 . 5.000 4.693 4.471 4.889 . 0 0 "[ . 1 .]" 1
668 2 39 ARG H 2 40 MET H 4.000 . 4.500 4.588 4.538 4.635 0.135 2 0 "[ . 1 .]" 1
669 2 38 LEU H 2 39 ARG H 5.000 . 5.500 4.500 4.456 4.552 . 0 0 "[ . 1 .]" 1
670 2 39 ARG HA 2 40 MET H 3.000 . 3.500 2.182 2.142 2.254 . 0 0 "[ . 1 .]" 1
671 2 39 ARG QB 2 40 MET H 4.000 . 4.500 2.981 2.840 3.294 . 0 0 "[ . 1 .]" 1
672 2 39 ARG H 2 39 ARG QG 4.000 . 4.500 2.483 1.816 3.474 . 0 0 "[ . 1 .]" 1
673 2 39 ARG QG 2 40 MET H 4.000 . 4.500 4.148 3.515 4.519 0.019 9 0 "[ . 1 .]" 1
674 2 39 ARG H 2 39 ARG QD 5.000 . 5.500 3.125 1.929 4.197 . 0 0 "[ . 1 .]" 1
675 2 39 ARG QD 2 40 MET H 4.000 . 4.500 3.830 3.196 4.456 . 0 0 "[ . 1 .]" 1
676 2 33 SER H 2 34 CYS H 3.000 . 3.500 2.621 2.451 2.877 . 0 0 "[ . 1 .]" 1
677 2 34 CYS H 2 34 CYS HA 3.000 . 3.500 2.912 2.785 2.959 . 0 0 "[ . 1 .]" 1
678 2 34 CYS H 2 34 CYS QB 3.000 . 3.500 2.416 2.257 2.816 . 0 0 "[ . 1 .]" 1
679 2 34 CYS QB 2 37 PHE H 5.000 . 5.500 3.160 2.585 4.299 . 0 0 "[ . 1 .]" 1
680 2 46 ALA H 2 48 LYS H 4.000 . 4.500 4.250 4.183 4.311 . 0 0 "[ . 1 .]" 1
681 2 44 ALA H 2 46 ALA H 4.000 . 4.500 4.074 4.054 4.113 . 0 0 "[ . 1 .]" 1
682 2 45 ALA H 2 46 ALA H 3.000 . 3.500 2.616 2.487 2.683 . 0 0 "[ . 1 .]" 1
683 2 43 ASN H 2 46 ALA H 4.000 . 4.500 4.628 4.581 4.659 0.159 10 0 "[ . 1 .]" 1
684 2 46 ALA HA 2 47 ILE H 4.000 . 4.500 3.540 3.532 3.552 . 0 0 "[ . 1 .]" 1
685 2 46 ALA H 2 46 ALA HA 3.000 . 3.500 2.809 2.803 2.818 . 0 0 "[ . 1 .]" 1
686 2 46 ALA HA 2 48 LYS H 4.000 . 4.500 4.554 4.509 4.603 0.103 10 0 "[ . 1 .]" 1
687 2 46 ALA HA 2 49 ALA H 4.000 . 4.500 3.478 3.417 3.538 . 0 0 "[ . 1 .]" 1
688 2 46 ALA MB 2 47 ILE H 4.000 . 4.500 2.597 2.474 2.664 . 0 0 "[ . 1 .]" 1
689 2 46 ALA H 2 46 ALA MB 3.000 . 3.500 2.083 2.014 2.228 . 0 0 "[ . 1 .]" 1
690 2 19 GLU HA 2 20 GLY H 5.000 . 5.500 3.554 3.444 3.580 . 0 0 "[ . 1 .]" 1
691 2 19 GLU H 2 19 GLU HA 3.000 . 3.500 2.945 2.797 2.972 . 0 0 "[ . 1 .]" 1
692 2 19 GLU QB 2 20 GLY H 5.000 . 5.500 1.987 1.775 2.357 0.025 2 0 "[ . 1 .]" 1
693 2 19 GLU QG 2 20 GLY H 5.000 . 5.500 3.810 3.689 4.068 . 0 0 "[ . 1 .]" 1
694 2 19 GLU H 2 19 GLU QG 4.000 . 4.500 2.737 2.151 4.027 . 0 0 "[ . 1 .]" 1
695 2 2 LYS HA 2 4 ALA H 4.000 . 4.500 4.420 4.338 4.492 . 0 0 "[ . 1 .]" 1
696 2 2 LYS HA 2 5 ALA H 4.000 . 4.500 3.434 3.337 3.520 . 0 0 "[ . 1 .]" 1
697 2 2 LYS HA 2 6 ALA H 5.000 . 5.500 4.276 3.872 4.511 . 0 0 "[ . 1 .]" 1
698 2 2 LYS H 2 3 ARG H 3.000 . 3.500 2.673 2.631 2.761 . 0 0 "[ . 1 .]" 1
699 2 2 LYS H 2 4 ALA H 4.000 . 4.500 4.215 4.097 4.381 . 0 0 "[ . 1 .]" 1
700 2 2 LYS H 2 2 LYS HA 3.000 . 3.500 2.820 2.803 2.827 . 0 0 "[ . 1 .]" 1
701 2 2 LYS HA 2 3 ARG H 4.000 . 4.500 3.541 3.532 3.560 . 0 0 "[ . 1 .]" 1
702 2 2 LYS QB 2 3 ARG H 4.000 . 4.500 2.586 2.467 2.656 . 0 0 "[ . 1 .]" 1
703 2 2 LYS H 2 2 LYS QG 4.000 . 4.500 2.348 1.672 4.035 0.128 7 0 "[ . 1 .]" 1
704 2 2 LYS QG 2 3 ARG H 5.000 . 5.500 4.019 3.001 4.200 . 0 0 "[ . 1 .]" 1
705 2 2 LYS H 2 2 LYS QD 5.000 . 5.500 3.972 3.640 4.325 . 0 0 "[ . 1 .]" 1
706 2 2 LYS QD 2 3 ARG H 5.000 . 5.500 4.899 4.501 5.296 . 0 0 "[ . 1 .]" 1
707 2 2 LYS H 2 2 LYS QE 5.000 . 5.500 4.057 3.161 4.937 . 0 0 "[ . 1 .]" 1
708 2 2 LYS QE 2 3 ARG H 5.000 . 5.500 5.252 4.483 5.874 0.374 4 0 "[ . 1 .]" 1
709 2 23 ASN H 2 24 GLU H 4.000 . 4.500 4.579 4.470 4.610 0.110 5 0 "[ . 1 .]" 1
710 2 22 GLY H 2 23 ASN H 3.000 . 3.500 2.703 2.633 2.747 . 0 0 "[ . 1 .]" 1
711 2 23 ASN HA 2 24 GLU H 3.000 . 3.500 2.198 2.149 2.239 . 0 0 "[ . 1 .]" 1
712 2 23 ASN QB 2 24 GLU H 4.000 . 4.500 2.990 2.789 3.820 . 0 0 "[ . 1 .]" 1
713 2 23 ASN QB 2 25 ALA H 5.000 . 5.500 2.850 2.333 4.015 . 0 0 "[ . 1 .]" 1
714 2 48 LYS H 2 49 ALA H 3.000 . 3.500 2.636 2.605 2.661 . 0 0 "[ . 1 .]" 1
715 2 45 ALA H 2 48 LYS H 5.000 . 5.500 4.883 4.799 4.960 . 0 0 "[ . 1 .]" 1
716 2 48 LYS HA 2 50 LEU H 4.000 . 4.500 4.363 4.321 4.434 . 0 0 "[ . 1 .]" 1
717 2 48 LYS HA 2 51 GLU H 4.000 . 4.500 3.436 3.395 3.474 . 0 0 "[ . 1 .]" 1
718 2 48 LYS H 2 48 LYS HA 3.000 . 3.500 2.824 2.812 2.830 . 0 0 "[ . 1 .]" 1
719 2 48 LYS HA 2 49 ALA H 4.000 . 4.500 3.533 3.523 3.549 . 0 0 "[ . 1 .]" 1
720 2 48 LYS HA 2 52 LEU H 4.000 . 4.500 4.064 3.881 4.243 . 0 0 "[ . 1 .]" 1
721 2 48 LYS QB 2 49 ALA H 4.000 . 4.500 2.598 2.492 2.648 . 0 0 "[ . 1 .]" 1
722 2 49 ALA H 2 52 LEU QD 4.000 . 4.500 3.758 3.531 4.283 . 0 0 "[ . 1 .]" 1
723 2 48 LYS H 2 48 LYS QG 4.000 . 4.500 2.472 2.272 4.029 . 0 0 "[ . 1 .]" 1
724 2 48 LYS QG 2 49 ALA H 4.000 . 4.500 4.118 3.777 4.191 . 0 0 "[ . 1 .]" 1
725 2 48 LYS H 2 48 LYS QD 4.000 . 4.500 3.928 3.744 4.119 . 0 0 "[ . 1 .]" 1
726 2 48 LYS H 2 48 LYS QE 5.000 . 5.500 5.022 4.805 5.753 0.253 3 0 "[ . 1 .]" 1
727 2 63 HIS H 2 63 HIS HA 3.000 . 3.500 2.728 2.300 2.954 . 0 0 "[ . 1 .]" 1
728 2 15 HIS H 2 16 GLN H 3.000 . 3.500 2.663 2.583 2.762 . 0 0 "[ . 1 .]" 1
729 2 16 GLN H 2 17 LEU H 4.000 . 4.500 2.664 2.582 2.712 . 0 0 "[ . 1 .]" 1
730 2 14 TYR H 2 16 GLN H 4.000 . 4.500 4.067 3.985 4.220 . 0 0 "[ . 1 .]" 1
731 2 12 ARG H 2 14 TYR H 4.000 . 4.500 4.183 4.114 4.287 . 0 0 "[ . 1 .]" 1
732 2 16 GLN HA 2 18 THR H 4.000 . 4.500 4.486 4.381 4.630 0.130 12 0 "[ . 1 .]" 1
733 2 16 GLN HA 2 20 GLY H 3.000 . 3.500 2.383 1.950 2.896 . 0 0 "[ . 1 .]" 1
734 2 16 GLN HA 2 17 LEU H 4.000 . 4.500 3.545 3.532 3.560 . 0 0 "[ . 1 .]" 1
735 2 16 GLN QB 2 17 LEU H 4.000 . 4.500 2.564 2.481 2.733 . 0 0 "[ . 1 .]" 1
736 2 16 GLN H 2 16 GLN QG 4.000 . 4.500 3.953 3.736 4.057 . 0 0 "[ . 1 .]" 1
737 2 16 GLN QG 2 17 LEU H 4.000 . 4.500 3.773 3.459 4.415 . 0 0 "[ . 1 .]" 1
738 2 44 ALA H 2 45 ALA H 3.000 . 3.500 2.627 2.590 2.696 . 0 0 "[ . 1 .]" 1
739 2 42 ASN H 2 44 ALA H 4.000 . 4.500 4.228 4.099 4.363 . 0 0 "[ . 1 .]" 1
740 2 43 ASN H 2 44 ALA H 4.000 . 4.500 2.646 2.508 2.789 . 0 0 "[ . 1 .]" 1
741 2 41 ASP H 2 44 ALA H 5.000 . 5.500 3.808 3.626 3.976 . 0 0 "[ . 1 .]" 1
742 2 41 ASP H 2 44 ALA MB 4.000 . 4.500 2.306 1.918 2.682 . 0 0 "[ . 1 .]" 1
743 2 44 ALA HA 2 47 ILE H 4.000 . 4.500 3.485 3.441 3.567 . 0 0 "[ . 1 .]" 1
744 2 44 ALA HA 2 46 ALA H 4.000 . 4.500 4.313 4.272 4.371 . 0 0 "[ . 1 .]" 1
745 2 44 ALA HA 2 48 LYS H 4.000 . 4.500 4.388 4.261 4.501 0.001 11 0 "[ . 1 .]" 1
746 2 44 ALA H 2 44 ALA HA 3.000 . 3.500 2.833 2.828 2.837 . 0 0 "[ . 1 .]" 1
747 2 43 ASN QD 2 44 ALA H 5.000 . 5.500 3.604 2.194 4.735 . 0 0 "[ . 1 .]" 1
748 2 44 ALA HA 2 45 ALA H 4.000 . 4.500 3.537 3.517 3.554 . 0 0 "[ . 1 .]" 1
749 2 44 ALA H 2 44 ALA MB 3.000 . 3.500 2.193 2.058 2.243 . 0 0 "[ . 1 .]" 1
750 2 44 ALA MB 2 45 ALA H 4.000 . 4.500 2.584 2.467 2.728 . 0 0 "[ . 1 .]" 1
751 2 43 ASN H 2 44 ALA MB 4.000 . 4.500 4.287 4.160 4.447 . 0 0 "[ . 1 .]" 1
752 2 40 MET H 2 40 MET HA 3.000 . 3.500 2.949 2.919 2.962 . 0 0 "[ . 1 .]" 1
753 2 40 MET HA 2 42 ASN H 6.000 . 6.500 6.470 6.381 6.568 0.068 2 0 "[ . 1 .]" 1
754 2 40 MET HA 2 41 ASP H 3.000 . 3.500 2.387 2.243 2.484 . 0 0 "[ . 1 .]" 1
755 2 40 MET QB 2 45 ALA H 4.000 . 4.500 3.369 3.007 4.003 . 0 0 "[ . 1 .]" 1
756 2 40 MET QB 2 41 ASP H 4.000 . 4.500 2.560 2.255 2.802 . 0 0 "[ . 1 .]" 1
757 2 40 MET QB 2 44 ALA H 4.000 . 4.500 4.432 4.267 4.530 0.030 13 0 "[ . 1 .]" 1
758 2 40 MET H 2 40 MET QG 4.000 . 4.500 3.227 2.249 4.231 . 0 0 "[ . 1 .]" 1
759 2 40 MET QG 2 45 ALA H 4.000 . 4.500 4.171 2.634 4.899 0.399 1 0 "[ . 1 .]" 1
760 2 40 MET QG 2 41 ASP H 4.000 . 4.500 3.303 2.185 4.474 . 0 0 "[ . 1 .]" 1
761 2 28 ASN H 2 31 CYS H 5.000 . 5.500 5.650 5.339 5.779 0.279 6 0 "[ . 1 .]" 1
762 2 28 ASN H 2 29 GLU H 4.000 . 4.500 4.272 4.021 4.394 . 0 0 "[ . 1 .]" 1
763 2 29 GLU HA 2 30 PHE H 4.000 . 4.500 3.533 3.387 3.556 . 0 0 "[ . 1 .]" 1
764 2 29 GLU HA 2 31 CYS H 5.000 . 5.500 4.045 3.932 4.325 . 0 0 "[ . 1 .]" 1
765 2 29 GLU QB 2 30 PHE H 5.000 . 5.500 2.666 2.551 3.172 . 0 0 "[ . 1 .]" 1
766 2 29 GLU QG 2 30 PHE H 5.000 . 5.500 3.999 2.851 4.551 . 0 0 "[ . 1 .]" 1
767 2 30 PHE H 2 52 LEU QD 5.000 . 5.500 4.901 4.402 5.512 0.012 8 0 "[ . 1 .]" 1
768 2 29 GLU H 2 29 GLU QG 4.000 . 4.500 2.572 1.398 3.957 0.402 7 0 "[ . 1 .]" 1
769 2 60 CYS H 2 61 ASP H 3.000 . 3.500 2.954 2.708 3.598 0.098 13 0 "[ . 1 .]" 1
770 2 61 ASP H 2 61 ASP HA 3.000 . 3.500 2.886 2.812 2.957 . 0 0 "[ . 1 .]" 1
771 2 49 ALA H 2 52 LEU H 6.000 . 6.500 4.702 4.613 4.784 . 0 0 "[ . 1 .]" 1
772 2 49 ALA HA 2 50 LEU H 4.000 . 4.500 3.564 3.555 3.571 . 0 0 "[ . 1 .]" 1
773 2 49 ALA HA 2 53 TYR H 4.000 . 4.500 4.199 3.964 4.372 . 0 0 "[ . 1 .]" 1
774 2 49 ALA HA 2 51 GLU H 4.000 . 4.500 4.509 4.454 4.563 0.063 10 0 "[ . 1 .]" 1
775 2 49 ALA H 2 49 ALA HA 3.000 . 3.500 2.817 2.810 2.825 . 0 0 "[ . 1 .]" 1
776 2 49 ALA HA 2 52 LEU H 4.000 . 4.500 3.471 3.417 3.521 . 0 0 "[ . 1 .]" 1
777 2 49 ALA MB 2 50 LEU H 3.000 . 3.500 2.583 2.513 2.644 . 0 0 "[ . 1 .]" 1
778 2 49 ALA H 2 49 ALA MB 3.000 . 3.500 2.086 2.022 2.202 . 0 0 "[ . 1 .]" 1
779 2 14 TYR H 2 49 ALA MB 4.000 . 4.500 2.696 2.573 2.903 . 0 0 "[ . 1 .]" 1
780 2 49 ALA MB 2 51 GLU H 4.000 . 4.500 4.564 4.547 4.588 0.088 14 0 "[ . 1 .]" 1
781 2 23 ASN HA 2 25 ALA H 5.000 . 5.500 4.049 3.758 4.165 . 0 0 "[ . 1 .]" 1
782 2 24 GLU HA 2 25 ALA H 4.000 . 4.500 3.530 3.424 3.547 . 0 0 "[ . 1 .]" 1
783 2 24 GLU H 2 24 GLU HA 3.000 . 3.500 2.821 2.814 2.827 . 0 0 "[ . 1 .]" 1
784 2 24 GLU QB 2 25 ALA H 4.000 . 4.500 2.676 2.544 3.675 . 0 0 "[ . 1 .]" 1
785 2 24 GLU QG 2 25 ALA H 5.000 . 5.500 4.038 2.490 4.457 . 0 0 "[ . 1 .]" 1
786 2 24 GLU H 2 24 GLU QG 4.000 . 4.500 2.470 2.028 3.954 . 0 0 "[ . 1 .]" 1
787 2 42 ASN H 2 45 ALA H 4.000 . 4.500 4.592 4.542 4.653 0.153 10 0 "[ . 1 .]" 1
788 2 42 ASN H 2 45 ALA MB 5.000 . 5.500 4.417 4.297 4.548 . 0 0 "[ . 1 .]" 1
789 2 43 ASN H 2 45 ALA H 4.000 . 4.500 3.979 3.901 4.078 . 0 0 "[ . 1 .]" 1
790 2 41 ASP H 2 45 ALA H 4.000 . 4.500 4.097 3.815 4.295 . 0 0 "[ . 1 .]" 1
791 2 41 ASP H 2 45 ALA MB 4.000 . 4.500 4.615 4.491 4.784 0.284 3 0 "[ . 1 .]" 1
792 2 45 ALA HA 2 46 ALA H 4.000 . 4.500 3.542 3.537 3.549 . 0 0 "[ . 1 .]" 1
793 2 45 ALA HA 2 47 ILE H 4.000 . 4.500 4.361 4.320 4.414 . 0 0 "[ . 1 .]" 1
794 2 45 ALA HA 2 48 LYS H 4.000 . 4.500 3.435 3.396 3.487 . 0 0 "[ . 1 .]" 1
795 2 45 ALA HA 2 49 ALA H 4.000 . 4.500 4.028 3.878 4.182 . 0 0 "[ . 1 .]" 1
796 2 45 ALA H 2 45 ALA HA 3.000 . 3.500 2.831 2.806 2.875 . 0 0 "[ . 1 .]" 1
797 2 18 THR H 2 45 ALA MB 4.000 . 4.500 4.060 3.747 4.292 . 0 0 "[ . 1 .]" 1
798 2 45 ALA MB 2 46 ALA H 3.000 . 3.500 2.618 2.549 2.677 . 0 0 "[ . 1 .]" 1
799 2 45 ALA H 2 45 ALA MB 3.000 . 3.500 2.147 2.040 2.206 . 0 0 "[ . 1 .]" 1
800 2 43 ASN H 2 45 ALA MB 4.000 . 4.500 4.598 4.506 4.663 0.163 1 0 "[ . 1 .]" 1
801 2 17 LEU H 2 45 ALA MB 5.000 . 5.500 5.101 4.710 5.563 0.063 3 0 "[ . 1 .]" 1
802 2 14 TYR H 2 15 HIS H 3.000 . 3.500 2.746 2.711 2.774 . 0 0 "[ . 1 .]" 1
803 2 15 HIS HA 2 16 GLN H 5.000 . 5.500 3.544 3.535 3.560 . 0 0 "[ . 1 .]" 1
804 2 15 HIS H 2 15 HIS HA 3.000 . 3.500 2.825 2.805 2.845 . 0 0 "[ . 1 .]" 1
805 2 15 HIS QB 2 16 GLN H 5.000 . 5.500 2.606 2.413 2.722 . 0 0 "[ . 1 .]" 1
806 2 58 LYS H 2 59 LEU H 4.000 . 4.500 4.602 4.589 4.615 0.115 4 0 "[ . 1 .]" 1
807 2 58 LYS H 2 58 LYS HA 3.000 . 3.500 2.852 2.800 2.872 . 0 0 "[ . 1 .]" 1
808 2 58 LYS HA 2 59 LEU H 4.000 . 4.500 2.216 2.184 2.236 . 0 0 "[ . 1 .]" 1
809 2 58 LYS QB 2 59 LEU H 4.000 . 4.500 2.848 2.777 2.936 . 0 0 "[ . 1 .]" 1
810 2 58 LYS H 2 58 LYS QG 4.000 . 4.500 2.181 1.771 2.265 0.029 4 0 "[ . 1 .]" 1
811 2 58 LYS QG 2 59 LEU H 4.000 . 4.500 3.939 3.900 4.040 . 0 0 "[ . 1 .]" 1
812 2 58 LYS H 2 58 LYS QD 5.000 . 5.500 3.816 3.521 4.243 . 0 0 "[ . 1 .]" 1
813 2 13 TYR H 2 14 TYR H 3.000 . 3.500 2.655 2.599 2.716 . 0 0 "[ . 1 .]" 1
814 2 13 TYR HA 2 16 GLN H 4.000 . 4.500 3.554 3.436 3.713 . 0 0 "[ . 1 .]" 1
815 2 13 TYR H 2 13 TYR HA 3.000 . 3.500 2.832 2.819 2.840 . 0 0 "[ . 1 .]" 1
816 2 13 TYR HA 2 14 TYR H 4.000 . 4.500 3.541 3.527 3.551 . 0 0 "[ . 1 .]" 1
817 2 13 TYR QB 2 14 TYR H 4.000 . 4.500 2.559 2.508 2.597 . 0 0 "[ . 1 .]" 1
818 2 7 LYS HA 2 8 HIS H 4.000 . 4.500 3.548 3.537 3.556 . 0 0 "[ . 1 .]" 1
819 2 7 LYS HA 2 11 GLU H 5.000 . 5.500 3.995 3.871 4.178 . 0 0 "[ . 1 .]" 1
820 2 7 LYS H 2 7 LYS HA 3.000 . 3.500 2.825 2.811 2.838 . 0 0 "[ . 1 .]" 1
821 2 7 LYS HA 2 10 ILE H 4.000 . 4.500 3.566 3.515 3.666 . 0 0 "[ . 1 .]" 1
822 2 7 LYS HA 2 9 LEU H 4.000 . 4.500 4.480 4.414 4.538 0.038 7 0 "[ . 1 .]" 1
823 2 7 LYS QB 2 8 HIS H 4.000 . 4.500 2.514 2.467 2.549 . 0 0 "[ . 1 .]" 1
824 2 7 LYS QG 2 8 HIS H 5.000 . 5.500 3.537 3.442 3.586 . 0 0 "[ . 1 .]" 1
825 2 7 LYS QD 2 8 HIS H 5.000 . 5.500 4.587 4.422 5.105 . 0 0 "[ . 1 .]" 1
826 2 7 LYS H 2 7 LYS QD 5.000 . 5.500 4.440 4.392 4.642 . 0 0 "[ . 1 .]" 1
827 2 14 TYR H 2 17 LEU H 4.000 . 4.500 4.687 4.577 4.765 0.265 14 0 "[ . 1 .]" 1
828 2 14 TYR HA 2 16 GLN H 4.000 . 4.500 4.512 4.452 4.621 0.121 11 0 "[ . 1 .]" 1
829 2 14 TYR HA 2 15 HIS H 4.000 . 4.500 3.559 3.548 3.565 . 0 0 "[ . 1 .]" 1
830 2 14 TYR H 2 14 TYR HA 3.000 . 3.500 2.812 2.805 2.822 . 0 0 "[ . 1 .]" 1
831 2 14 TYR HA 2 17 LEU H 4.000 . 4.500 3.622 3.533 3.747 . 0 0 "[ . 1 .]" 1
832 2 14 TYR QB 2 15 HIS H 4.000 . 4.500 2.406 2.375 2.451 . 0 0 "[ . 1 .]" 1
833 2 14 TYR H 2 17 LEU QD 5.000 . 5.500 4.672 4.171 5.508 0.008 13 0 "[ . 1 .]" 1
834 2 17 LEU QD 2 48 LYS H 5.000 . 5.500 3.970 3.651 4.206 . 0 0 "[ . 1 .]" 1
835 2 42 ASN H 2 43 ASN H 3.000 . 3.500 2.675 2.569 2.737 . 0 0 "[ . 1 .]" 1
836 2 41 ASP H 2 42 ASN H 4.000 . 4.500 4.571 4.515 4.599 0.099 11 0 "[ . 1 .]" 1
837 2 42 ASN H 2 42 ASN QD 5.000 . 5.500 3.420 2.288 3.721 . 0 0 "[ . 1 .]" 1
838 2 42 ASN HA 2 46 ALA H 4.000 . 4.500 4.036 3.866 4.236 . 0 0 "[ . 1 .]" 1
839 2 42 ASN HA 2 45 ALA H 4.000 . 4.500 3.551 3.402 3.768 . 0 0 "[ . 1 .]" 1
840 2 42 ASN HA 2 44 ALA H 4.000 . 4.500 4.629 4.596 4.671 0.171 4 0 "[ . 1 .]" 1
841 2 42 ASN HA 2 43 ASN H 4.000 . 4.500 3.533 3.505 3.549 . 0 0 "[ . 1 .]" 1
842 2 42 ASN H 2 42 ASN HA 3.000 . 3.500 2.816 2.799 2.853 . 0 0 "[ . 1 .]" 1
843 2 42 ASN QB 2 43 ASN H 4.000 . 4.500 2.724 2.520 3.390 . 0 0 "[ . 1 .]" 1
844 2 41 ASP H 2 43 ASN H 5.000 . 5.500 5.179 4.994 5.371 . 0 0 "[ . 1 .]" 1
845 2 43 ASN H 2 43 ASN QD 5.000 . 5.500 2.961 2.038 3.970 . 0 0 "[ . 1 .]" 1
846 2 43 ASN HA 2 47 ILE H 5.000 . 5.500 4.507 4.392 4.612 . 0 0 "[ . 1 .]" 1
847 2 43 ASN HA 2 46 ALA H 4.000 . 4.500 3.505 3.423 3.581 . 0 0 "[ . 1 .]" 1
848 2 43 ASN HA 2 44 ALA H 4.000 . 4.500 3.554 3.545 3.563 . 0 0 "[ . 1 .]" 1
849 2 43 ASN HA 2 45 ALA H 4.000 . 4.500 4.445 4.334 4.569 0.069 5 0 "[ . 1 .]" 1
850 2 43 ASN H 2 43 ASN HA 3.000 . 3.500 2.836 2.803 2.869 . 0 0 "[ . 1 .]" 1
851 2 43 ASN QB 2 44 ALA H 4.000 . 4.500 2.891 2.346 3.330 . 0 0 "[ . 1 .]" 1
852 2 43 ASN QB 2 45 ALA H 5.000 . 5.500 4.847 4.527 5.150 . 0 0 "[ . 1 .]" 1
853 2 1 MET HA 2 2 LYS H 4.000 . 4.500 2.992 2.212 3.498 . 0 0 "[ . 1 .]" 1
854 2 1 MET HA 2 3 ARG H 4.000 . 4.500 4.182 3.770 4.504 0.004 13 0 "[ . 1 .]" 1
855 2 1 MET QB 2 2 LYS H 4.000 . 4.500 2.994 2.181 3.624 . 0 0 "[ . 1 .]" 1
856 2 1 MET QB 2 3 ARG H 5.000 . 5.500 4.136 2.653 5.137 . 0 0 "[ . 1 .]" 1
857 2 1 MET QG 2 2 LYS H 4.000 . 4.500 3.743 1.823 4.397 . 0 0 "[ . 1 .]" 1
858 2 10 ILE HA 2 11 GLU H 4.000 . 4.500 3.548 3.540 3.555 . 0 0 "[ . 1 .]" 1
859 2 10 ILE HA 2 13 TYR H 4.000 . 4.500 3.508 3.433 3.598 . 0 0 "[ . 1 .]" 1
860 2 10 ILE HA 2 14 TYR H 5.000 . 5.500 4.121 3.992 4.248 . 0 0 "[ . 1 .]" 1
861 2 10 ILE H 2 10 ILE HA 3.000 . 3.500 2.819 2.803 2.826 . 0 0 "[ . 1 .]" 1
862 2 41 ASP HA 2 44 ALA H 5.000 . 5.500 4.686 4.553 4.972 . 0 0 "[ . 1 .]" 1
863 2 41 ASP HA 2 45 ALA H 5.000 . 5.500 4.842 4.698 5.055 . 0 0 "[ . 1 .]" 1
864 2 41 ASP HA 2 42 ASN H 3.000 . 3.500 2.457 2.325 2.582 . 0 0 "[ . 1 .]" 1
865 2 41 ASP HA 2 43 ASN H 5.000 . 5.500 4.438 4.152 4.590 . 0 0 "[ . 1 .]" 1
866 2 41 ASP QB 2 43 ASN H 4.000 . 4.500 2.652 2.335 2.766 . 0 0 "[ . 1 .]" 1
867 2 41 ASP H 2 41 ASP HA 3.000 . 3.500 2.872 2.852 2.902 . 0 0 "[ . 1 .]" 1
868 2 41 ASP QB 2 44 ALA H 4.000 . 4.500 2.586 2.433 2.951 . 0 0 "[ . 1 .]" 1
869 2 41 ASP QB 2 42 ASN H 4.000 . 4.500 2.283 2.099 2.528 . 0 0 "[ . 1 .]" 1
870 2 52 LEU H 2 54 LYS H 5.000 . 5.500 4.206 4.134 4.387 . 0 0 "[ . 1 .]" 1
871 2 52 LEU HA 2 55 ILE H 4.000 . 4.500 3.543 3.333 3.671 . 0 0 "[ . 1 .]" 1
872 2 52 LEU HA 2 53 TYR H 4.000 . 4.500 3.532 3.515 3.553 . 0 0 "[ . 1 .]" 1
873 2 52 LEU HA 2 57 ALA H 4.000 . 4.500 3.381 3.085 3.736 . 0 0 "[ . 1 .]" 1
874 2 52 LEU HA 2 56 ASN H 4.000 . 4.500 4.339 4.117 4.523 0.023 7 0 "[ . 1 .]" 1
875 2 52 LEU HA 2 54 LYS H 5.000 . 5.500 4.476 4.345 4.595 . 0 0 "[ . 1 .]" 1
876 2 52 LEU QB 2 53 TYR H 4.000 . 4.500 2.589 2.537 2.679 . 0 0 "[ . 1 .]" 1
877 2 52 LEU QB 2 57 ALA H 5.000 . 5.500 3.704 3.508 4.238 . 0 0 "[ . 1 .]" 1
878 2 3 ARG HA 2 4 ALA H 4.000 . 4.500 3.549 3.537 3.566 . 0 0 "[ . 1 .]" 1
879 2 3 ARG HA 2 6 ALA H 4.000 . 4.500 3.479 3.406 3.557 . 0 0 "[ . 1 .]" 1
880 2 3 ARG HA 2 5 ALA H 4.000 . 4.500 4.418 4.336 4.519 0.019 12 0 "[ . 1 .]" 1
881 2 3 ARG QG 2 4 ALA H 4.000 . 4.500 4.109 4.058 4.136 . 0 0 "[ . 1 .]" 1
882 2 3 ARG H 2 3 ARG QG 4.000 . 4.500 2.235 2.119 2.282 . 0 0 "[ . 1 .]" 1
883 2 3 ARG QD 2 4 ALA H 4.000 . 4.500 4.596 4.429 4.656 0.156 5 0 "[ . 1 .]" 1
884 2 3 ARG H 2 3 ARG QD 5.000 . 5.500 3.602 3.351 3.726 . 0 0 "[ . 1 .]" 1
885 2 22 GLY QA 2 23 ASN H 4.000 . 4.500 2.878 2.873 2.882 . 0 0 "[ . 1 .]" 1
886 2 38 LEU HA 2 39 ARG H 3.000 . 3.500 2.225 2.158 2.276 . 0 0 "[ . 1 .]" 1
887 2 38 LEU H 2 38 LEU HA 3.000 . 3.500 2.952 2.938 2.960 . 0 0 "[ . 1 .]" 1
888 2 38 LEU QB 2 39 ARG H 4.000 . 4.500 3.024 2.719 3.724 . 0 0 "[ . 1 .]" 1
889 2 32 ALA H 2 33 SER H 4.000 . 4.500 4.580 4.528 4.633 0.133 1 0 "[ . 1 .]" 1
890 2 32 ALA H 2 32 ALA HA 3.000 . 3.500 2.847 2.801 2.898 . 0 0 "[ . 1 .]" 1
891 2 32 ALA H 2 37 PHE QE 5.000 . 5.500 5.122 4.692 5.366 . 0 0 "[ . 1 .]" 1
892 2 37 PHE QE 2 40 MET H 4.000 . 4.500 3.611 3.185 4.070 . 0 0 "[ . 1 .]" 1
893 2 37 PHE QE 2 38 LEU H 4.000 . 4.500 4.297 4.151 4.450 . 0 0 "[ . 1 .]" 1
894 2 37 PHE QE 2 39 ARG H 4.000 . 4.500 4.500 4.230 4.741 0.241 14 0 "[ . 1 .]" 1
895 2 32 ALA HA 2 33 SER H 4.000 . 4.500 2.445 2.338 2.591 . 0 0 "[ . 1 .]" 1
896 2 18 THR H 2 32 ALA MB 5.000 . 5.500 4.379 4.025 4.834 . 0 0 "[ . 1 .]" 1
897 2 20 GLY H 2 32 ALA MB 5.000 . 5.500 3.251 2.816 3.597 . 0 0 "[ . 1 .]" 1
898 2 19 GLU H 2 32 ALA MB 5.000 . 5.500 3.482 2.780 4.079 . 0 0 "[ . 1 .]" 1
899 2 32 ALA MB 2 33 SER H 5.000 . 5.500 2.435 2.221 2.622 . 0 0 "[ . 1 .]" 1
900 2 59 LEU H 2 59 LEU HA 3.000 . 3.500 2.900 2.865 2.938 . 0 0 "[ . 1 .]" 1
901 2 59 LEU HA 2 60 CYS H 3.000 . 3.500 2.252 2.135 2.319 . 0 0 "[ . 1 .]" 1
902 2 59 LEU H 2 59 LEU HG 4.000 . 4.500 2.671 2.124 3.708 . 0 0 "[ . 1 .]" 1
903 2 59 LEU HG 2 60 CYS H 4.000 . 4.500 4.557 3.641 4.766 0.266 7 0 "[ . 1 .]" 1
904 2 59 LEU QB 2 60 CYS H 4.000 . 4.500 2.768 2.580 3.256 . 0 0 "[ . 1 .]" 1
905 2 60 CYS HA 2 61 ASP H 3.000 . 3.500 3.194 2.312 3.562 0.062 3 0 "[ . 1 .]" 1
906 2 60 CYS H 2 60 CYS HA 3.000 . 3.500 2.730 2.317 2.962 . 0 0 "[ . 1 .]" 1
907 2 60 CYS QB 2 61 ASP H 4.000 . 4.500 2.948 2.388 4.046 . 0 0 "[ . 1 .]" 1
908 2 28 ASN HA 2 30 PHE H 5.000 . 5.500 3.838 3.388 4.004 . 0 0 "[ . 1 .]" 1
909 2 28 ASN HA 2 29 GLU H 3.000 . 3.500 2.147 2.137 2.167 . 0 0 "[ . 1 .]" 1
910 2 28 ASN H 2 28 ASN HA 3.000 . 3.500 2.936 2.922 2.951 . 0 0 "[ . 1 .]" 1
911 2 28 ASN H 2 28 ASN QB 3.000 . 3.500 2.477 2.258 2.736 . 0 0 "[ . 1 .]" 1
912 2 28 ASN QB 2 30 PHE H 5.000 . 5.500 3.784 2.967 4.140 . 0 0 "[ . 1 .]" 1
913 2 28 ASN QB 2 29 GLU H 4.000 . 4.500 3.743 3.278 3.886 . 0 0 "[ . 1 .]" 1
914 2 21 CYS H 2 33 SER HA 5.500 . 6.000 5.867 5.429 6.076 0.076 9 0 "[ . 1 .]" 1
915 2 33 SER HA 2 34 CYS H 5.000 . 5.500 3.180 3.057 3.449 . 0 0 "[ . 1 .]" 1
916 2 33 SER H 2 33 SER HA 3.000 . 3.500 2.295 2.282 2.305 . 0 0 "[ . 1 .]" 1
917 2 21 CYS H 2 33 SER QB 5.000 . 5.500 3.222 2.804 3.620 . 0 0 "[ . 1 .]" 1
918 2 21 CYS H 2 32 ALA MB 5.000 . 5.500 3.883 3.686 4.039 . 0 0 "[ . 1 .]" 1
919 2 33 SER QB 2 34 CYS H 5.000 . 5.500 3.631 3.322 3.716 . 0 0 "[ . 1 .]" 1
920 2 22 GLY H 2 33 SER QB 5.000 . 5.500 3.309 2.328 4.129 . 0 0 "[ . 1 .]" 1
921 2 17 LEU HA 2 18 THR H 4.000 . 4.500 3.535 3.509 3.559 . 0 0 "[ . 1 .]" 1
922 2 17 LEU HA 2 19 GLU H 5.000 . 5.500 4.143 3.833 5.204 . 0 0 "[ . 1 .]" 1
923 2 17 LEU QB 2 18 THR H 4.000 . 4.500 2.589 2.451 2.783 . 0 0 "[ . 1 .]" 1
924 2 62 PRO HA 2 63 HIS H 3.000 . 3.500 2.271 2.214 2.368 . 0 0 "[ . 1 .]" 1
925 2 62 PRO QB 2 63 HIS H 4.000 . 4.500 2.968 2.690 3.172 . 0 0 "[ . 1 .]" 1
926 2 54 LYS HA 2 55 ILE H 4.000 . 4.500 3.551 3.508 3.565 . 0 0 "[ . 1 .]" 1
927 2 54 LYS HA 2 56 ASN H 4.000 . 4.500 3.894 3.760 4.024 . 0 0 "[ . 1 .]" 1
928 2 54 LYS H 2 54 LYS HA 3.000 . 3.500 2.801 2.786 2.849 . 0 0 "[ . 1 .]" 1
929 2 54 LYS QB 2 55 ILE H 4.000 . 4.500 2.501 2.347 3.418 . 0 0 "[ . 1 .]" 1
930 2 54 LYS H 2 54 LYS QB 3.000 . 3.500 2.238 2.151 2.357 . 0 0 "[ . 1 .]" 1
931 2 54 LYS QG 2 55 ILE H 4.000 . 4.500 3.369 2.136 4.138 . 0 0 "[ . 1 .]" 1
932 2 54 LYS H 2 54 LYS QG 4.000 . 4.500 3.756 2.249 3.952 . 0 0 "[ . 1 .]" 1
933 2 54 LYS QD 2 55 ILE H 4.000 . 4.500 4.532 3.983 4.843 0.343 10 0 "[ . 1 .]" 1
934 2 54 LYS H 2 54 LYS QD 5.000 . 5.500 4.400 3.499 4.723 . 0 0 "[ . 1 .]" 1
935 2 54 LYS H 2 54 LYS QE 5.000 . 5.500 4.864 4.200 5.889 0.389 12 0 "[ . 1 .]" 1
936 2 54 LYS H 2 55 ILE MG 5.000 . 5.500 4.229 3.718 4.647 . 0 0 "[ . 1 .]" 1
937 2 35 PRO HA 2 36 THR H 5.000 . 5.500 3.520 3.450 3.562 . 0 0 "[ . 1 .]" 1
938 2 35 PRO QB 2 36 THR H 4.000 . 4.500 2.938 2.588 3.448 . 0 0 "[ . 1 .]" 1
939 2 35 PRO QG 2 36 THR H 5.000 . 5.500 3.378 2.460 3.946 . 0 0 "[ . 1 .]" 1
940 2 35 PRO QD 2 36 THR H 4.000 . 4.500 2.863 2.646 3.012 . 0 0 "[ . 1 .]" 1
941 2 5 ALA HA 2 8 HIS H 4.000 . 4.500 3.446 3.392 3.504 . 0 0 "[ . 1 .]" 1
942 2 5 ALA HA 2 9 LEU H 5.000 . 5.500 4.164 3.852 4.427 . 0 0 "[ . 1 .]" 1
943 2 5 ALA HA 2 6 ALA H 4.000 . 4.500 3.541 3.537 3.546 . 0 0 "[ . 1 .]" 1
944 2 5 ALA HA 2 7 LYS H 4.000 . 4.500 4.406 4.323 4.456 . 0 0 "[ . 1 .]" 1
945 2 5 ALA H 2 5 ALA HA 3.000 . 3.500 2.820 2.816 2.825 . 0 0 "[ . 1 .]" 1
946 2 9 LEU H 2 9 LEU HG 4.000 . 4.500 2.503 2.252 3.938 . 0 0 "[ . 1 .]" 1
947 2 9 LEU HG 2 10 ILE H 4.000 . 4.500 4.441 4.346 4.929 0.429 2 0 "[ . 1 .]" 1
948 2 9 LEU H 2 9 LEU QD 4.000 . 4.500 2.980 2.018 3.147 . 0 0 "[ . 1 .]" 1
949 2 9 LEU QD 2 10 ILE H 4.000 . 4.500 4.010 3.757 4.088 . 0 0 "[ . 1 .]" 1
950 2 17 LEU HG 2 18 THR H 5.000 . 5.500 4.298 3.638 5.050 . 0 0 "[ . 1 .]" 1
951 2 17 LEU H 2 17 LEU HG 4.000 . 4.500 3.156 2.306 4.459 . 0 0 "[ . 1 .]" 1
952 2 17 LEU QD 2 18 THR H 4.000 . 4.500 4.023 3.831 4.116 . 0 0 "[ . 1 .]" 1
953 2 17 LEU QD 2 49 ALA H 4.000 . 4.500 3.016 2.463 3.375 . 0 0 "[ . 1 .]" 1
954 2 17 LEU H 2 17 LEU QD 4.000 . 4.500 3.198 2.227 3.674 . 0 0 "[ . 1 .]" 1
955 2 18 THR H 2 18 THR HB 4.000 . 4.500 3.609 3.594 3.633 . 0 0 "[ . 1 .]" 1
956 2 18 THR HB 2 19 GLU H 4.000 . 4.500 4.042 3.355 4.258 . 0 0 "[ . 1 .]" 1
957 2 18 THR H 2 18 THR MG 4.000 . 4.500 2.272 2.179 2.448 . 0 0 "[ . 1 .]" 1
958 2 18 THR MG 2 19 GLU H 5.000 . 5.500 3.993 3.783 4.143 . 0 0 "[ . 1 .]" 1
959 2 18 THR MG 2 45 ALA H 4.000 . 4.500 4.623 4.576 4.695 0.195 15 0 "[ . 1 .]" 1
960 2 27 THR H 2 27 THR HB 4.000 . 4.500 3.285 2.497 3.685 . 0 0 "[ . 1 .]" 1
961 2 36 THR H 2 36 THR HB 4.000 . 4.500 3.610 3.437 3.677 . 0 0 "[ . 1 .]" 1
962 2 36 THR HB 2 37 PHE H 4.000 . 4.500 4.225 4.012 4.487 . 0 0 "[ . 1 .]" 1
963 2 36 THR H 2 36 THR MG 3.000 . 3.500 2.312 1.528 2.902 0.272 14 0 "[ . 1 .]" 1
964 2 36 THR MG 2 37 PHE H 4.000 . 4.500 4.053 3.511 4.440 . 0 0 "[ . 1 .]" 1
965 2 38 LEU HG 2 39 ARG H 5.000 . 5.500 4.490 2.881 5.055 . 0 0 "[ . 1 .]" 1
966 2 38 LEU H 2 38 LEU HG 4.000 . 4.500 3.124 2.538 4.391 . 0 0 "[ . 1 .]" 1
967 2 38 LEU QD 2 39 ARG H 4.000 . 4.500 3.091 2.004 4.085 . 0 0 "[ . 1 .]" 1
968 2 38 LEU H 2 38 LEU QD 4.000 . 4.500 3.169 1.917 3.819 . 0 0 "[ . 1 .]" 1
969 2 47 ILE H 2 47 ILE HB 3.000 . 3.500 2.409 2.152 2.520 . 0 0 "[ . 1 .]" 1
970 2 47 ILE HB 2 48 LYS H 3.000 . 3.500 2.568 2.462 2.786 . 0 0 "[ . 1 .]" 1
971 2 47 ILE H 2 47 ILE MG 4.000 . 4.500 3.708 3.571 3.759 . 0 0 "[ . 1 .]" 1
972 2 47 ILE MG 2 48 LYS H 3.000 . 3.500 3.189 2.593 3.456 . 0 0 "[ . 1 .]" 1
973 2 47 ILE H 2 47 ILE QG 4.000 . 4.500 2.489 2.073 3.569 . 0 0 "[ . 1 .]" 1
974 2 47 ILE QG 2 48 LYS H 4.000 . 4.500 4.089 3.912 4.493 . 0 0 "[ . 1 .]" 1
975 2 47 ILE MD 2 50 LEU H 4.000 . 4.500 4.810 4.758 4.853 0.353 7 0 "[ . 1 .]" 1
976 2 47 ILE H 2 47 ILE MD 4.000 . 4.500 2.812 2.006 3.169 . 0 0 "[ . 1 .]" 1
977 2 47 ILE MD 2 48 LYS H 4.000 . 4.500 4.420 4.063 4.565 0.065 3 0 "[ . 1 .]" 1
978 2 50 LEU H 2 50 LEU HG 4.000 . 4.500 4.446 4.424 4.457 . 0 0 "[ . 1 .]" 1
979 2 50 LEU HG 2 51 GLU H 4.000 . 4.500 3.656 3.602 3.700 . 0 0 "[ . 1 .]" 1
980 2 50 LEU H 2 50 LEU QD 4.000 . 4.500 3.670 3.660 3.687 . 0 0 "[ . 1 .]" 1
981 2 50 LEU QD 2 51 GLU H 4.000 . 4.500 3.855 3.834 3.880 . 0 0 "[ . 1 .]" 1
982 2 52 LEU HG 2 53 TYR H 4.000 . 4.500 4.505 4.412 4.862 0.362 6 0 "[ . 1 .]" 1
983 2 52 LEU H 2 52 LEU HG 4.000 . 4.500 2.605 2.309 4.179 . 0 0 "[ . 1 .]" 1
984 2 52 LEU HG 2 57 ALA H 5.000 . 5.500 5.419 3.976 5.681 0.181 12 0 "[ . 1 .]" 1
985 2 52 LEU QD 2 53 TYR H 4.000 . 4.500 4.065 3.930 4.131 . 0 0 "[ . 1 .]" 1
986 2 52 LEU H 2 52 LEU QD 4.000 . 4.500 2.965 2.242 3.113 . 0 0 "[ . 1 .]" 1
987 2 52 LEU QD 2 57 ALA H 4.000 . 4.500 3.765 3.575 4.450 . 0 0 "[ . 1 .]" 1
988 2 55 ILE H 2 55 ILE HB 4.000 . 4.500 3.168 2.268 3.629 . 0 0 "[ . 1 .]" 1
989 2 55 ILE HB 2 56 ASN H 4.000 . 4.500 4.232 3.948 4.317 . 0 0 "[ . 1 .]" 1
990 2 55 ILE HB 2 57 ALA H 4.000 . 4.500 4.302 3.882 4.662 0.162 2 0 "[ . 1 .]" 1
991 2 55 ILE H 2 55 ILE MG 4.000 . 4.500 2.226 1.734 2.757 0.066 2 0 "[ . 1 .]" 1
992 2 55 ILE MG 2 56 ASN H 4.000 . 4.500 3.414 2.427 4.164 . 0 0 "[ . 1 .]" 1
993 2 55 ILE MG 2 57 ALA H 4.000 . 4.500 3.390 1.769 4.691 0.191 10 0 "[ . 1 .]" 1
994 2 55 ILE H 2 55 ILE QG 4.000 . 4.500 2.819 1.817 3.965 . 0 0 "[ . 1 .]" 1
995 2 55 ILE QG 2 56 ASN H 4.000 . 4.500 3.421 2.757 4.494 . 0 0 "[ . 1 .]" 1
996 2 55 ILE QG 2 57 ALA H 4.000 . 4.500 2.619 1.828 4.534 0.034 13 0 "[ . 1 .]" 1
997 2 55 ILE H 2 55 ILE MD 4.000 . 4.500 3.927 3.480 4.365 . 0 0 "[ . 1 .]" 1
998 2 55 ILE H 2 57 ALA MB 5.000 . 5.500 4.695 4.568 4.839 . 0 0 "[ . 1 .]" 1
999 2 55 ILE MD 2 56 ASN H 5.000 . 5.500 4.830 4.462 5.226 . 0 0 "[ . 1 .]" 1
1000 2 55 ILE MD 2 57 ALA H 4.000 . 4.500 3.864 3.233 4.586 0.086 13 0 "[ . 1 .]" 1
1001 2 59 LEU H 2 59 LEU QD 4.000 . 4.500 2.613 1.771 3.276 0.029 1 0 "[ . 1 .]" 1
1002 2 59 LEU QD 2 60 CYS H 4.000 . 4.500 3.528 2.920 4.372 . 0 0 "[ . 1 .]" 1
1003 2 10 ILE HB 2 11 GLU H 4.000 . 4.500 2.570 2.528 2.620 . 0 0 "[ . 1 .]" 1
1004 2 10 ILE H 2 10 ILE HB 4.000 . 4.500 2.409 2.389 2.435 . 0 0 "[ . 1 .]" 1
1005 2 10 ILE MG 2 11 GLU H 4.000 . 4.500 3.246 3.168 3.294 . 0 0 "[ . 1 .]" 1
1006 2 10 ILE MG 2 14 TYR H 4.000 . 4.500 3.913 3.867 3.984 . 0 0 "[ . 1 .]" 1
1007 2 10 ILE H 2 10 ILE MG 4.000 . 4.500 3.733 3.726 3.754 . 0 0 "[ . 1 .]" 1
1008 2 10 ILE QG 2 11 GLU H 4.000 . 4.500 4.113 4.095 4.142 . 0 0 "[ . 1 .]" 1
1009 2 10 ILE H 2 10 ILE QG 4.000 . 4.500 2.244 2.184 2.281 . 0 0 "[ . 1 .]" 1
1010 2 10 ILE MD 2 11 GLU H 5.000 . 5.500 4.432 4.395 4.490 . 0 0 "[ . 1 .]" 1
1011 2 10 ILE H 2 10 ILE MD 4.000 . 4.500 3.415 3.385 3.448 . 0 0 "[ . 1 .]" 1
1012 2 14 TYR QE 2 42 ASN H 5.000 . 5.500 5.378 5.103 5.553 0.053 10 0 "[ . 1 .]" 1
1013 2 53 TYR QD 2 54 LYS H 5.000 . 5.500 3.345 3.165 3.508 . 0 0 "[ . 1 .]" 1
1014 2 17 LEU QD 2 52 LEU H 5.000 . 5.500 4.749 4.286 5.330 . 0 0 "[ . 1 .]" 1
1015 2 53 TYR QE 2 54 LYS H 5.000 . 5.500 5.405 5.256 5.537 0.037 8 0 "[ . 1 .]" 1
1016 2 57 ALA H 2 58 LYS QG 5.000 . 5.500 5.684 5.607 5.864 0.364 4 0 "[ . 1 .]" 1
1017 2 48 LYS QB 2 52 LEU HG 5.000 . 5.500 4.071 3.457 5.631 0.131 2 0 "[ . 1 .]" 1
1018 2 48 LYS QG 2 52 LEU QD 4.000 . 4.500 4.174 2.339 4.625 0.125 9 0 "[ . 1 .]" 1
1019 2 18 THR HA 2 45 ALA MB 4.000 . 4.500 3.965 3.601 4.213 . 0 0 "[ . 1 .]" 1
1020 2 18 THR HA 2 18 THR HB 3.000 . 3.500 2.458 2.429 2.482 . 0 0 "[ . 1 .]" 1
1021 2 16 GLN HA 2 20 GLY QA 5.000 . 5.500 3.597 2.378 4.139 . 0 0 "[ . 1 .]" 1
1022 2 20 GLY QA 2 32 ALA MB 5.000 . 5.500 1.998 1.933 2.227 . 0 0 "[ . 1 .]" 1
1023 2 36 THR HA 2 36 THR HB 3.000 . 3.500 2.456 2.312 2.719 . 0 0 "[ . 1 .]" 1
1024 2 36 THR HA 2 36 THR MG 3.000 . 3.500 2.338 2.124 2.635 . 0 0 "[ . 1 .]" 1
1025 2 55 ILE HA 2 55 ILE HB 3.000 . 3.500 2.482 2.417 2.713 . 0 0 "[ . 1 .]" 1
1026 2 55 ILE HB 2 57 ALA MB 4.000 . 4.500 4.339 3.909 4.663 0.163 11 0 "[ . 1 .]" 1
1027 2 55 ILE HA 2 55 ILE MG 3.000 . 3.500 2.693 2.254 3.185 . 0 0 "[ . 1 .]" 1
1028 2 55 ILE HA 2 55 ILE QG 3.000 . 3.500 2.823 2.172 3.290 . 0 0 "[ . 1 .]" 1
1029 2 55 ILE QG 2 57 ALA MB 4.000 . 4.500 2.783 2.272 4.447 . 0 0 "[ . 1 .]" 1
1030 2 55 ILE HA 2 55 ILE MD 4.000 . 4.500 3.882 3.607 4.124 . 0 0 "[ . 1 .]" 1
1031 2 50 LEU HA 2 50 LEU HG 4.000 . 4.500 3.067 3.050 3.087 . 0 0 "[ . 1 .]" 1
1032 2 50 LEU HA 2 50 LEU QD 4.000 . 4.500 2.089 2.066 2.102 . 0 0 "[ . 1 .]" 1
1033 2 10 ILE MG 2 50 LEU HA 4.000 . 4.500 3.483 3.269 3.932 . 0 0 "[ . 1 .]" 1
1034 2 10 ILE MD 2 50 LEU HA 4.000 . 4.500 3.955 3.588 4.389 . 0 0 "[ . 1 .]" 1
1035 2 10 ILE MD 2 50 LEU QD 4.000 . 4.500 2.818 2.544 3.275 . 0 0 "[ . 1 .]" 1
1036 2 10 ILE MG 2 50 LEU QD 4.000 . 4.500 3.296 2.858 3.739 . 0 0 "[ . 1 .]" 1
1037 2 10 ILE QG 2 50 LEU QD 4.000 . 4.500 3.228 2.804 3.504 . 0 0 "[ . 1 .]" 1
1038 2 10 ILE HA 2 50 LEU HA 5.000 . 5.500 4.751 4.378 5.028 . 0 0 "[ . 1 .]" 1
1039 2 50 LEU HA 2 53 TYR QD 4.000 . 4.500 4.534 4.382 4.635 0.135 2 0 "[ . 1 .]" 1
1040 2 50 LEU HA 2 53 TYR QB 4.000 . 4.500 2.895 2.765 3.056 . 0 0 "[ . 1 .]" 1
1041 2 47 ILE HA 2 50 LEU QB 4.000 . 4.500 2.819 2.682 2.928 . 0 0 "[ . 1 .]" 1
1042 2 8 HIS HA 2 11 GLU QB 4.000 . 4.500 2.623 2.491 2.781 . 0 0 "[ . 1 .]" 1
1043 2 5 ALA HA 2 8 HIS QB 4.000 . 4.500 2.657 2.457 2.938 . 0 0 "[ . 1 .]" 1
1044 2 5 ALA MB 2 9 LEU QD 4.000 . 4.500 3.175 2.885 3.457 . 0 0 "[ . 1 .]" 1
1045 2 11 GLU HA 2 14 TYR QB 4.000 . 4.500 2.676 2.563 2.839 . 0 0 "[ . 1 .]" 1
1046 2 8 HIS HA 2 11 GLU QG 4.000 . 4.500 4.323 3.320 4.774 0.274 14 0 "[ . 1 .]" 1
1047 2 11 GLU HA 2 12 ARG QG 5.000 . 5.500 5.205 5.171 5.237 . 0 0 "[ . 1 .]" 1
1048 2 11 GLU QB 2 12 ARG QG 4.000 . 4.500 3.290 3.207 3.610 . 0 0 "[ . 1 .]" 1
1049 2 11 GLU HA 2 49 ALA MB 5.000 . 5.500 4.805 4.406 5.041 . 0 0 "[ . 1 .]" 1
1050 2 10 ILE MD 2 53 TYR QB 4.000 . 4.500 3.562 3.361 3.963 . 0 0 "[ . 1 .]" 1
1051 2 53 TYR HA 2 53 TYR QD 4.000 . 4.500 2.606 2.552 2.685 . 0 0 "[ . 1 .]" 1
1052 2 9 LEU QB 2 53 TYR QD 4.000 . 4.500 2.097 1.862 2.316 . 0 0 "[ . 1 .]" 1
1053 2 6 ALA HA 2 53 TYR QD 4.000 . 4.500 4.332 3.958 4.557 0.057 3 0 "[ . 1 .]" 1
1054 2 6 ALA MB 2 53 TYR QD 5.000 . 5.500 4.415 4.114 4.633 . 0 0 "[ . 1 .]" 1
1055 2 9 LEU QD 2 53 TYR QD 4.000 . 4.500 2.932 2.514 3.293 . 0 0 "[ . 1 .]" 1
1056 2 50 LEU QD 2 53 TYR QD 4.000 . 4.500 3.215 3.077 3.349 . 0 0 "[ . 1 .]" 1
1057 2 10 ILE MD 2 53 TYR QD 4.000 . 4.500 3.634 3.239 4.020 . 0 0 "[ . 1 .]" 1
1058 2 10 ILE QG 2 53 TYR QD 4.000 . 4.500 3.020 2.770 3.329 . 0 0 "[ . 1 .]" 1
1059 2 53 TYR QD 2 54 LYS HA 4.000 . 4.500 3.316 3.182 3.429 . 0 0 "[ . 1 .]" 1
1060 2 10 ILE HA 2 53 TYR QD 5.000 . 5.500 3.952 3.622 4.395 . 0 0 "[ . 1 .]" 1
1061 2 53 TYR QD 2 54 LYS QB 5.000 . 5.500 3.874 3.389 4.533 . 0 0 "[ . 1 .]" 1
1062 2 9 LEU QB 2 53 TYR QE 4.000 . 4.500 2.302 1.956 2.704 . 0 0 "[ . 1 .]" 1
1063 2 6 ALA HA 2 53 TYR QE 4.000 . 4.500 2.525 2.047 2.993 . 0 0 "[ . 1 .]" 1
1064 2 6 ALA MB 2 53 TYR QE 4.000 . 4.500 3.164 2.852 3.453 . 0 0 "[ . 1 .]" 1
1065 2 9 LEU QD 2 53 TYR QE 4.000 . 4.500 2.059 1.761 3.465 0.039 9 0 "[ . 1 .]" 1
1066 2 10 ILE MD 2 53 TYR QE 4.000 . 4.500 4.025 3.678 4.196 . 0 0 "[ . 1 .]" 1
1067 2 17 LEU QD 2 30 PHE HA 5.000 . 5.500 3.750 2.416 4.691 . 0 0 "[ . 1 .]" 1
1068 2 17 LEU QD 2 30 PHE QB 5.000 . 5.500 3.717 2.433 4.709 . 0 0 "[ . 1 .]" 1
1069 2 30 PHE QB 2 52 LEU QD 5.000 . 5.500 2.226 1.964 2.732 . 0 0 "[ . 1 .]" 1
1070 2 30 PHE HA 2 30 PHE QD 4.000 . 4.500 2.546 2.351 2.766 . 0 0 "[ . 1 .]" 1
1071 2 30 PHE QD 2 57 ALA MB 5.000 . 5.500 3.320 2.820 3.633 . 0 0 "[ . 1 .]" 1
1072 2 29 GLU QG 2 30 PHE QD 5.000 . 5.500 4.776 3.379 5.323 . 0 0 "[ . 1 .]" 1
1073 2 17 LEU QD 2 30 PHE QD 5.000 . 5.500 4.280 3.226 5.086 . 0 0 "[ . 1 .]" 1
1074 2 30 PHE QD 2 52 LEU QD 5.000 . 5.500 2.525 1.880 3.252 . 0 0 "[ . 1 .]" 1
1075 2 30 PHE QD 2 48 LYS QE 5.000 . 5.500 4.622 2.764 5.542 0.042 15 0 "[ . 1 .]" 1
1076 2 47 ILE HA 2 47 ILE HB 3.000 . 3.500 3.016 2.969 3.033 . 0 0 "[ . 1 .]" 1
1077 2 47 ILE HA 2 47 ILE MD 4.000 . 4.500 2.086 2.012 2.174 . 0 0 "[ . 1 .]" 1
1078 2 47 ILE HA 2 50 LEU QD 4.000 . 4.500 3.620 3.469 3.712 . 0 0 "[ . 1 .]" 1
1079 2 21 CYS QB 2 60 CYS QB 3.000 . 3.500 2.871 2.519 3.447 . 0 0 "[ . 1 .]" 1
1080 2 51 GLU HA 2 54 LYS QB 4.000 . 4.500 2.761 2.583 3.492 . 0 0 "[ . 1 .]" 1
1081 2 51 GLU HA 2 54 LYS QD 4.000 . 4.500 3.657 2.304 4.287 . 0 0 "[ . 1 .]" 1
1082 2 51 GLU HA 2 54 LYS QG . . 4.500 4.506 3.110 4.787 0.287 12 0 "[ . 1 .]" 1
1083 2 51 GLU HA 2 54 LYS QE 4.000 . 4.500 3.886 2.839 5.807 1.307 12 1 "[ . 1 + .]" 1
1084 2 51 GLU QB 2 52 LEU QD 4.000 . 4.500 3.721 2.887 3.885 . 0 0 "[ . 1 .]" 1
1085 2 48 LYS HA 2 51 GLU QB 4.000 . 4.500 2.701 2.621 2.797 . 0 0 "[ . 1 .]" 1
1086 2 51 GLU HA 2 55 ILE MG 5.000 . 5.500 4.441 4.082 5.309 . 0 0 "[ . 1 .]" 1
1087 2 48 LYS HA 2 51 GLU QG 4.000 . 4.500 3.519 3.126 3.853 . 0 0 "[ . 1 .]" 1
1088 2 31 CYS HA 2 32 ALA MB 5.000 . 5.500 3.948 3.905 3.973 . 0 0 "[ . 1 .]" 1
1089 2 16 GLN QG 2 31 CYS HA 3.000 . 3.500 3.393 2.331 5.067 1.567 11 1 "[ . 1+ .]" 1
1090 2 26 CYS HA 2 27 THR MG 5.000 . 5.500 3.951 3.457 5.442 . 0 0 "[ . 1 .]" 1
1091 2 37 PHE HA 2 38 LEU HA 5.000 . 5.500 4.396 4.338 4.413 . 0 0 "[ . 1 .]" 1
1092 2 38 LEU HA 2 39 ARG QB 5.000 . 5.500 4.431 4.225 4.607 . 0 0 "[ . 1 .]" 1
1093 2 32 ALA HA 2 37 PHE QB 5.000 . 5.500 3.047 2.790 3.459 . 0 0 "[ . 1 .]" 1
1094 2 30 PHE HA 2 37 PHE QD 5.000 . 5.500 4.174 2.966 5.527 0.027 13 0 "[ . 1 .]" 1
1095 2 37 PHE HA 2 37 PHE QD 4.000 . 4.500 2.789 2.688 2.902 . 0 0 "[ . 1 .]" 1
1096 2 37 PHE QD 2 39 ARG HA 4.000 . 4.500 4.060 3.805 4.413 . 0 0 "[ . 1 .]" 1
1097 2 37 PHE QD 2 39 ARG QB 5.000 . 5.500 5.537 5.284 5.646 0.146 14 0 "[ . 1 .]" 1
1098 2 37 PHE QD 2 39 ARG QG 4.500 . 5.000 4.543 3.979 5.001 0.001 13 0 "[ . 1 .]" 1
1099 2 37 PHE QD 2 39 ARG QD 4.500 . 5.000 3.903 3.172 5.089 0.089 14 0 "[ . 1 .]" 1
1100 2 32 ALA HA 2 37 PHE QD 5.000 . 5.500 2.616 2.111 2.976 . 0 0 "[ . 1 .]" 1
1101 2 32 ALA MB 2 37 PHE QD 5.000 . 5.500 3.450 3.290 3.706 . 0 0 "[ . 1 .]" 1
1102 2 37 PHE QD 2 40 MET ME 5.000 . 5.500 4.286 3.544 5.616 0.116 10 0 "[ . 1 .]" 1
1103 2 17 LEU QD 2 37 PHE QD 4.000 . 4.500 3.579 2.724 4.390 . 0 0 "[ . 1 .]" 1
1104 2 37 PHE QE 2 39 ARG HA 4.500 . 5.000 2.667 2.472 2.810 . 0 0 "[ . 1 .]" 1
1105 2 37 PHE QE 2 39 ARG QB 5.000 . 5.500 4.636 4.415 4.842 . 0 0 "[ . 1 .]" 1
1106 2 37 PHE QE 2 39 ARG QG 4.500 . 5.000 4.128 3.431 4.870 . 0 0 "[ . 1 .]" 1
1107 2 37 PHE QE 2 39 ARG QD 4.500 . 5.000 3.247 2.394 4.191 . 0 0 "[ . 1 .]" 1
1108 2 32 ALA HA 2 37 PHE QE 5.000 . 5.500 3.501 3.203 3.966 . 0 0 "[ . 1 .]" 1
1109 2 32 ALA MB 2 37 PHE QE 5.000 . 5.500 3.046 2.700 3.556 . 0 0 "[ . 1 .]" 1
1110 2 17 LEU HA 2 37 PHE QE 4.000 . 4.500 4.222 3.892 4.612 0.112 11 0 "[ . 1 .]" 1
1111 2 17 LEU QD 2 37 PHE QE 4.000 . 4.500 2.428 1.858 3.119 . 0 0 "[ . 1 .]" 1
1112 2 37 PHE QE 2 40 MET ME 4.000 . 4.500 3.199 2.191 4.435 . 0 0 "[ . 1 .]" 1
1113 2 55 ILE MD 2 57 ALA HA 4.000 . 4.500 3.924 3.489 4.444 . 0 0 "[ . 1 .]" 1
1114 2 55 ILE QG 2 57 ALA HA 5.000 . 5.500 3.396 3.127 4.683 . 0 0 "[ . 1 .]" 1
1115 2 55 ILE MG 2 57 ALA MB 5.000 . 5.500 3.370 2.039 4.541 . 0 0 "[ . 1 .]" 1
1116 2 55 ILE MD 2 57 ALA MB 4.000 . 4.500 2.722 2.089 3.584 . 0 0 "[ . 1 .]" 1
1117 2 4 ALA HA 2 7 LYS QB 4.000 . 4.500 2.876 2.787 3.035 . 0 0 "[ . 1 .]" 1
1118 2 27 THR HA 2 35 PRO QD 5.000 . 5.500 4.661 3.054 5.558 0.058 1 0 "[ . 1 .]" 1
1119 2 9 LEU HA 2 12 ARG QB 5.000 . 5.500 2.670 2.568 2.798 . 0 0 "[ . 1 .]" 1
1120 2 9 LEU HA 2 12 ARG QG 5.000 . 5.500 3.439 2.891 3.927 . 0 0 "[ . 1 .]" 1
1121 2 9 LEU HA 2 9 LEU HG 4.000 . 4.500 2.913 2.736 3.537 . 0 0 "[ . 1 .]" 1
1122 2 9 LEU HA 2 9 LEU QD 4.000 . 4.500 2.106 1.916 2.159 . 0 0 "[ . 1 .]" 1
1123 2 9 LEU HA 2 59 LEU QD 4.000 . 4.500 4.208 3.560 4.498 . 0 0 "[ . 1 .]" 1
1124 2 6 ALA HA 2 9 LEU QB 4.000 . 4.500 2.800 2.566 2.943 . 0 0 "[ . 1 .]" 1
1125 2 56 ASN HA 2 57 ALA MB 5.000 . 5.500 4.398 4.357 4.462 . 0 0 "[ . 1 .]" 1
1126 2 6 ALA HA 2 9 LEU HG 4.000 . 4.500 3.870 3.695 3.988 . 0 0 "[ . 1 .]" 1
1127 2 6 ALA HA 2 9 LEU QD 4.000 . 4.500 2.742 2.476 3.667 . 0 0 "[ . 1 .]" 1
1128 2 6 ALA HA 2 10 ILE MD 4.000 . 4.500 4.372 4.216 4.500 . 0 0 "[ . 1 .]" 1
1129 2 3 ARG HA 2 6 ALA MB 4.000 . 4.500 2.801 2.591 2.883 . 0 0 "[ . 1 .]" 1
1130 2 6 ALA MB 2 10 ILE MD 4.000 . 4.500 3.189 2.947 3.385 . 0 0 "[ . 1 .]" 1
1131 2 12 ARG HA 2 12 ARG QD 4.000 . 4.500 3.211 2.254 4.136 . 0 0 "[ . 1 .]" 1
1132 2 12 ARG HA 2 15 HIS QB 4.000 . 4.500 2.837 2.619 2.993 . 0 0 "[ . 1 .]" 1
1133 2 12 ARG QB 2 59 LEU QD 4.000 . 4.500 2.569 1.984 3.021 . 0 0 "[ . 1 .]" 1
1134 2 12 ARG QG 2 59 LEU QD 5.000 . 5.500 3.908 3.069 4.624 . 0 0 "[ . 1 .]" 1
1135 2 12 ARG QD 2 59 LEU QD 5.000 . 5.500 3.438 2.634 4.405 . 0 0 "[ . 1 .]" 1
1136 2 39 ARG HA 2 39 ARG QD 4.000 . 4.500 2.295 2.163 2.492 . 0 0 "[ . 1 .]" 1
1137 2 39 ARG QB 2 39 ARG QD 3.000 . 3.500 2.297 2.182 2.639 . 0 0 "[ . 1 .]" 1
1138 2 34 CYS HA 2 35 PRO QD 3.000 . 3.500 2.064 1.986 2.136 . 0 0 "[ . 1 .]" 1
1139 2 46 ALA HA 2 49 ALA MB 4.000 . 4.500 2.579 2.442 2.678 . 0 0 "[ . 1 .]" 1
1140 2 46 ALA MB 2 49 ALA MB 5.000 . 5.500 3.839 3.765 3.920 . 0 0 "[ . 1 .]" 1
1141 2 43 ASN HA 2 46 ALA MB 4.000 . 4.500 2.638 2.496 2.888 . 0 0 "[ . 1 .]" 1
1142 2 19 GLU HA 2 32 ALA MB 5.000 . 5.500 4.029 3.286 4.864 . 0 0 "[ . 1 .]" 1
1143 2 18 THR HB 2 19 GLU QG 4.000 . 4.500 3.837 3.582 4.676 0.176 10 0 "[ . 1 .]" 1
1144 2 2 LYS HA 2 2 LYS QD 4.000 . 4.500 3.516 2.287 4.042 . 0 0 "[ . 1 .]" 1
1145 2 2 LYS HA 2 2 LYS QE 5.000 . 5.500 4.470 3.432 5.402 . 0 0 "[ . 1 .]" 1
1146 2 2 LYS HA 2 5 ALA MB 3.000 . 3.500 2.622 2.408 2.830 . 0 0 "[ . 1 .]" 1
1147 2 2 LYS QB 2 2 LYS QE 4.000 . 4.500 2.703 2.165 3.578 . 0 0 "[ . 1 .]" 1
1148 2 48 LYS HA 2 48 LYS QD 4.000 . 4.500 3.239 2.226 4.113 . 0 0 "[ . 1 .]" 1
1149 2 17 LEU QD 2 48 LYS HA 4.000 . 4.500 4.043 3.790 4.206 . 0 0 "[ . 1 .]" 1
1150 2 47 ILE MG 2 48 LYS HA 4.000 . 4.500 3.321 2.884 3.512 . 0 0 "[ . 1 .]" 1
1151 2 48 LYS QB 2 48 LYS QE 4.000 . 4.500 2.779 2.192 3.788 . 0 0 "[ . 1 .]" 1
1152 2 45 ALA HA 2 48 LYS QB 4.000 . 4.500 2.666 2.508 2.807 . 0 0 "[ . 1 .]" 1
1153 2 17 LEU QD 2 48 LYS QB 4.000 . 4.500 1.982 1.811 2.092 . 0 0 "[ . 1 .]" 1
1154 2 45 ALA HA 2 48 LYS QD 5.000 . 5.500 4.066 2.767 5.410 . 0 0 "[ . 1 .]" 1
1155 2 48 LYS QD 2 52 LEU QD 4.000 . 4.500 4.012 3.105 4.548 0.048 8 0 "[ . 1 .]" 1
1156 2 17 LEU QD 2 48 LYS QG 4.000 . 4.500 3.342 2.117 3.708 . 0 0 "[ . 1 .]" 1
1157 2 48 LYS QE 2 52 LEU QD 4.000 . 4.500 3.915 3.096 4.711 0.211 14 0 "[ . 1 .]" 1
1158 2 13 TYR HA 2 16 GLN QB 3.000 . 3.500 2.611 2.390 2.949 . 0 0 "[ . 1 .]" 1
1159 2 44 ALA HA 2 47 ILE HB 4.000 . 4.500 3.062 2.832 3.180 . 0 0 "[ . 1 .]" 1
1160 2 44 ALA HA 2 47 ILE MG 4.000 . 4.500 4.324 4.016 4.449 . 0 0 "[ . 1 .]" 1
1161 2 44 ALA HA 2 47 ILE QG 4.000 . 4.500 3.230 2.863 4.133 . 0 0 "[ . 1 .]" 1
1162 2 44 ALA HA 2 47 ILE MD 4.000 . 4.500 4.379 3.636 4.754 0.254 5 0 "[ . 1 .]" 1
1163 2 40 MET HA 2 44 ALA MB 4.000 . 4.500 3.675 3.055 4.060 . 0 0 "[ . 1 .]" 1
1164 2 40 MET QB 2 44 ALA MB 3.000 . 3.500 2.243 2.054 2.522 . 0 0 "[ . 1 .]" 1
1165 2 40 MET QB 2 44 ALA HA 5.000 . 5.500 4.752 4.249 5.016 . 0 0 "[ . 1 .]" 1
1166 2 40 MET QG 2 44 ALA MB 4.000 . 4.500 2.757 1.937 3.818 . 0 0 "[ . 1 .]" 1
1167 2 40 MET ME 2 44 ALA MB 5.000 . 5.500 3.586 2.230 4.469 . 0 0 "[ . 1 .]" 1
1168 2 40 MET ME 2 45 ALA HA 5.000 . 5.500 4.605 3.410 5.380 . 0 0 "[ . 1 .]" 1
1169 2 41 ASP HA 2 44 ALA MB 4.000 . 4.500 4.286 4.018 4.669 0.169 2 0 "[ . 1 .]" 1
1170 2 41 ASP QB 2 44 ALA MB 4.000 . 4.500 2.642 2.356 3.142 . 0 0 "[ . 1 .]" 1
1171 2 40 MET HA 2 40 MET ME 5.000 . 5.500 3.807 2.874 4.198 . 0 0 "[ . 1 .]" 1
1172 2 40 MET QB 2 45 ALA MB 4.000 . 4.500 3.135 2.424 4.103 . 0 0 "[ . 1 .]" 1
1173 2 40 MET QG 2 45 ALA MB 4.000 . 4.500 3.787 2.215 4.673 0.173 12 0 "[ . 1 .]" 1
1174 2 40 MET QG 2 45 ALA HA 5.000 . 5.500 3.916 2.422 4.970 . 0 0 "[ . 1 .]" 1
1175 2 17 LEU QD 2 40 MET ME 4.000 . 4.500 4.086 3.064 4.607 0.107 10 0 "[ . 1 .]" 1
1176 2 29 GLU HA 2 34 CYS QB 5.000 . 5.500 4.178 3.732 5.509 0.009 14 0 "[ . 1 .]" 1
1177 2 34 CYS QB 2 35 PRO QD 4.000 . 4.500 2.860 2.196 3.622 . 0 0 "[ . 1 .]" 1
1178 2 34 CYS QB 2 37 PHE QB 5.000 . 5.500 2.434 2.048 4.139 . 0 0 "[ . 1 .]" 1
1179 2 61 ASP HA 2 62 PRO QD 3.000 . 3.500 2.111 2.045 2.183 . 0 0 "[ . 1 .]" 1
1180 2 61 ASP QB 2 62 PRO QD 4.000 . 4.500 2.846 2.186 3.843 . 0 0 "[ . 1 .]" 1
1181 2 13 TYR QB 2 49 ALA HA 5.000 . 5.500 2.436 2.297 2.687 . 0 0 "[ . 1 .]" 1
1182 2 17 LEU QD 2 49 ALA HA 3.000 . 3.500 2.817 2.231 3.525 0.025 5 0 "[ . 1 .]" 1
1183 2 49 ALA HA 2 52 LEU QD 4.000 . 4.500 2.358 2.198 3.070 . 0 0 "[ . 1 .]" 1
1184 2 49 ALA HA 2 52 LEU QB 4.000 . 4.500 2.552 2.383 2.669 . 0 0 "[ . 1 .]" 1
1185 2 13 TYR QB 2 49 ALA MB 3.000 . 3.500 2.380 2.213 2.565 . 0 0 "[ . 1 .]" 1
1186 2 14 TYR HA 2 49 ALA MB 3.000 . 3.500 2.396 2.129 2.756 . 0 0 "[ . 1 .]" 1
1187 2 14 TYR QB 2 49 ALA MB 4.000 . 4.500 2.434 2.146 2.706 . 0 0 "[ . 1 .]" 1
1188 2 14 TYR QB 2 17 LEU QD 5.000 . 5.500 4.565 4.158 5.060 . 0 0 "[ . 1 .]" 1
1189 2 17 LEU QD 2 49 ALA MB 4.000 . 4.500 2.893 2.145 3.366 . 0 0 "[ . 1 .]" 1
1190 2 45 ALA HA 2 48 LYS QG 4.000 . 4.500 3.549 3.140 4.425 . 0 0 "[ . 1 .]" 1
1191 2 17 LEU QD 2 45 ALA HA 4.000 . 4.500 2.885 2.137 3.579 . 0 0 "[ . 1 .]" 1
1192 2 40 MET ME 2 45 ALA MB 5.000 . 5.500 4.686 1.790 5.638 0.138 4 0 "[ . 1 .]" 1
1193 2 14 TYR HA 2 45 ALA MB 5.000 . 5.500 3.670 3.389 3.943 . 0 0 "[ . 1 .]" 1
1194 2 42 ASN HA 2 45 ALA MB 3.000 . 3.500 2.495 2.278 2.742 . 0 0 "[ . 1 .]" 1
1195 2 17 LEU QB 2 45 ALA MB 4.000 . 4.500 2.959 2.317 3.567 . 0 0 "[ . 1 .]" 1
1196 2 17 LEU QD 2 45 ALA MB 4.000 . 4.500 3.029 2.479 3.812 . 0 0 "[ . 1 .]" 1
1197 2 18 THR HB 2 45 ALA MB 4.000 . 4.500 4.447 4.147 4.600 0.100 9 0 "[ . 1 .]" 1
1198 2 18 THR MG 2 45 ALA MB 3.000 . 3.500 2.173 2.052 2.282 . 0 0 "[ . 1 .]" 1
1199 2 14 TYR QD 2 15 HIS HA 5.000 . 5.500 3.291 3.185 3.448 . 0 0 "[ . 1 .]" 1
1200 2 58 LYS HA 2 58 LYS QD 4.000 . 4.500 3.978 3.864 4.256 . 0 0 "[ . 1 .]" 1
1201 2 58 LYS QB 2 58 LYS QE 4.000 . 4.500 3.298 2.151 3.656 . 0 0 "[ . 1 .]" 1
1202 2 13 TYR HA 2 59 LEU QD 4.000 . 4.500 2.991 2.280 3.871 . 0 0 "[ . 1 .]" 1
1203 2 10 ILE HA 2 13 TYR QB 4.000 . 4.500 2.740 2.517 2.916 . 0 0 "[ . 1 .]" 1
1204 2 13 TYR HA 2 13 TYR QD 4.000 . 4.500 2.127 1.926 2.370 . 0 0 "[ . 1 .]" 1
1205 2 13 TYR QD 2 49 ALA MB 5.000 . 5.500 4.137 4.012 4.210 . 0 0 "[ . 1 .]" 1
1206 2 10 ILE HA 2 13 TYR QD 5.000 . 5.500 2.372 2.031 2.673 . 0 0 "[ . 1 .]" 1
1207 2 13 TYR QD 2 59 LEU QD 4.000 . 4.500 2.554 1.951 3.456 . 0 0 "[ . 1 .]" 1
1208 2 13 TYR QD 2 53 TYR HA 4.000 . 4.500 3.537 3.211 3.983 . 0 0 "[ . 1 .]" 1
1209 2 13 TYR QE 2 53 TYR HA 3.000 . 3.500 2.718 2.376 3.117 . 0 0 "[ . 1 .]" 1
1210 2 9 LEU QB 2 13 TYR QE 4.000 . 4.500 2.350 2.157 2.529 . 0 0 "[ . 1 .]" 1
1211 2 13 TYR QE 2 59 LEU HA 4.000 . 4.500 3.427 3.071 3.979 . 0 0 "[ . 1 .]" 1
1212 2 9 LEU HG 2 13 TYR QE 5.000 . 5.500 5.015 4.003 5.409 . 0 0 "[ . 1 .]" 1
1213 2 9 LEU QD 2 13 TYR QE 4.000 . 4.500 2.819 2.159 3.130 . 0 0 "[ . 1 .]" 1
1214 2 13 TYR QE 2 59 LEU HG 4.000 . 4.500 2.300 1.805 2.923 . 0 0 "[ . 1 .]" 1
1215 2 13 TYR QE 2 59 LEU QD 4.000 . 4.500 2.159 1.777 2.772 0.023 5 0 "[ . 1 .]" 1
1216 2 13 TYR QD 2 57 ALA MB 5.000 . 5.500 4.449 3.902 4.967 . 0 0 "[ . 1 .]" 1
1217 2 13 TYR QE 2 57 ALA MB 4.000 . 4.500 3.568 3.132 3.873 . 0 0 "[ . 1 .]" 1
1218 2 13 TYR QD 2 52 LEU QD 4.000 . 4.500 2.849 2.154 3.272 . 0 0 "[ . 1 .]" 1
1219 2 13 TYR QE 2 52 LEU QD 4.000 . 4.500 3.715 2.999 4.068 . 0 0 "[ . 1 .]" 1
1220 2 7 LYS HA 2 10 ILE HB 4.000 . 4.500 2.778 2.631 2.915 . 0 0 "[ . 1 .]" 1
1221 2 7 LYS HA 2 10 ILE MG 4.000 . 4.500 4.133 3.988 4.259 . 0 0 "[ . 1 .]" 1
1222 2 7 LYS HA 2 10 ILE MD 4.000 . 4.500 2.613 2.347 2.920 . 0 0 "[ . 1 .]" 1
1223 2 4 ALA HA 2 7 LYS QG 5.000 . 5.500 4.915 4.826 5.026 . 0 0 "[ . 1 .]" 1
1224 2 4 ALA HA 2 7 LYS QD 5.000 . 5.500 3.984 3.764 4.828 . 0 0 "[ . 1 .]" 1
1225 2 14 TYR HA 2 17 LEU QB 4.000 . 4.500 2.881 2.567 3.100 . 0 0 "[ . 1 .]" 1
1226 2 17 LEU HG 2 52 LEU QD 5.000 . 5.500 3.580 2.691 4.908 . 0 0 "[ . 1 .]" 1
1227 2 14 TYR HA 2 17 LEU QD 4.000 . 4.500 3.217 2.723 3.764 . 0 0 "[ . 1 .]" 1
1228 2 14 TYR QD 2 46 ALA HA 4.000 . 4.500 2.237 1.956 2.454 . 0 0 "[ . 1 .]" 1
1229 2 14 TYR QD 2 46 ALA MB 4.000 . 4.500 3.417 3.157 3.613 . 0 0 "[ . 1 .]" 1
1230 2 14 TYR QD 2 49 ALA MB 4.000 . 4.500 2.635 2.452 2.882 . 0 0 "[ . 1 .]" 1
1231 2 14 TYR QD 2 45 ALA MB 4.000 . 4.500 2.763 2.510 3.097 . 0 0 "[ . 1 .]" 1
1232 2 14 TYR HA 2 14 TYR QD 4.000 . 4.500 2.619 2.505 2.678 . 0 0 "[ . 1 .]" 1
1233 2 14 TYR QD 2 18 THR MG 5.000 . 5.500 3.312 2.995 3.597 . 0 0 "[ . 1 .]" 1
1234 2 14 TYR QE 2 46 ALA HA 4.000 . 4.500 3.415 3.178 3.771 . 0 0 "[ . 1 .]" 1
1235 2 14 TYR QE 2 46 ALA MB 4.000 . 4.500 3.110 2.681 3.345 . 0 0 "[ . 1 .]" 1
1236 2 14 TYR QE 2 45 ALA MB 3.000 . 3.500 2.062 1.883 2.354 . 0 0 "[ . 1 .]" 1
1237 2 14 TYR QE 2 42 ASN HA 4.000 . 4.500 2.796 2.399 3.009 . 0 0 "[ . 1 .]" 1
1238 2 14 TYR QE 2 49 ALA MB 4.000 . 4.500 4.558 4.436 4.821 0.321 12 0 "[ . 1 .]" 1
1239 2 18 THR MG 2 42 ASN HA 4.000 . 4.500 3.341 2.811 3.697 . 0 0 "[ . 1 .]" 1
1240 2 1 MET HA 2 4 ALA MB 4.000 . 4.500 3.387 2.452 4.511 0.011 2 0 "[ . 1 .]" 1
1241 2 10 ILE HA 2 10 ILE HB 3.000 . 3.500 3.022 3.019 3.024 . 0 0 "[ . 1 .]" 1
1242 2 10 ILE HA 2 10 ILE MD 4.000 . 4.500 3.801 3.796 3.805 . 0 0 "[ . 1 .]" 1
1243 2 52 LEU HA 2 57 ALA MB 3.000 . 3.500 2.745 2.479 3.251 . 0 0 "[ . 1 .]" 1
1244 2 52 LEU HA 2 52 LEU QD 4.000 . 4.500 2.214 2.162 2.448 . 0 0 "[ . 1 .]" 1
1245 2 52 LEU HA 2 55 ILE MG 5.000 . 5.500 3.040 2.015 4.056 . 0 0 "[ . 1 .]" 1
1246 2 52 LEU HA 2 55 ILE QG 4.000 . 4.500 3.339 2.079 4.829 0.329 2 0 "[ . 1 .]" 1
1247 2 52 LEU HA 2 55 ILE MD 4.000 . 4.500 3.333 2.316 4.544 0.044 15 0 "[ . 1 .]" 1
1248 2 52 LEU QB 2 57 ALA MB 3.000 . 3.500 2.770 2.277 3.483 . 0 0 "[ . 1 .]" 1
1249 2 3 ARG HA 2 3 ARG QD 4.000 . 4.500 3.993 3.942 4.142 . 0 0 "[ . 1 .]" 1
1250 2 38 LEU HA 2 38 LEU HG 4.000 . 4.500 3.021 2.448 3.535 . 0 0 "[ . 1 .]" 1
1251 2 38 LEU HA 2 38 LEU QD 4.000 . 4.500 2.211 1.936 3.058 . 0 0 "[ . 1 .]" 1
1252 2 17 LEU HA 2 32 ALA MB 5.000 . 5.500 2.889 2.215 3.440 . 0 0 "[ . 1 .]" 1
1253 2 59 LEU HA 2 59 LEU HG 4.000 . 4.500 2.618 2.154 2.792 . 0 0 "[ . 1 .]" 1
1254 2 59 LEU HA 2 59 LEU QD 4.000 . 4.500 2.557 2.025 3.153 . 0 0 "[ . 1 .]" 1
1255 2 21 CYS HA 2 60 CYS QB 4.500 . 5.000 4.374 3.937 5.075 0.075 14 0 "[ . 1 .]" 1
1256 2 64 PRO HA 2 64 PRO QD 4.000 . 4.500 3.346 3.155 3.496 . 0 0 "[ . 1 .]" 1
1257 2 17 LEU HA 2 17 LEU HG 4.000 . 4.500 2.798 2.280 3.039 . 0 0 "[ . 1 .]" 1
1258 2 61 ASP HA 2 62 PRO QG 4.000 . 4.500 4.027 3.959 4.104 . 0 0 "[ . 1 .]" 1
1259 2 62 PRO HA 2 62 PRO QD 4.000 . 4.500 3.381 3.313 3.452 . 0 0 "[ . 1 .]" 1
1260 2 54 LYS HA 2 54 LYS QD 4.000 . 4.500 4.025 3.865 4.270 . 0 0 "[ . 1 .]" 1
1261 2 54 LYS HA 2 55 ILE MG 5.000 . 5.500 4.876 4.660 5.527 0.027 13 0 "[ . 1 .]" 1
1262 2 54 LYS QB 2 54 LYS QE 4.000 . 4.500 2.638 2.096 3.540 . 0 0 "[ . 1 .]" 1
1263 2 54 LYS QB 2 55 ILE MG 5.000 . 5.500 3.411 2.808 5.362 . 0 0 "[ . 1 .]" 1
1264 2 54 LYS QG 2 55 ILE MG 5.000 . 5.500 3.786 2.654 4.896 . 0 0 "[ . 1 .]" 1
1265 2 54 LYS QD 2 55 ILE MG 5.000 . 5.500 4.572 3.276 5.640 0.140 13 0 "[ . 1 .]" 1
1266 2 54 LYS QE 2 55 ILE MG 5.000 . 5.500 4.317 2.641 5.599 0.099 2 0 "[ . 1 .]" 1
1267 2 34 CYS HA 2 35 PRO QG 5.000 . 5.500 3.974 3.882 4.060 . 0 0 "[ . 1 .]" 1
1268 2 35 PRO QB 2 36 THR MG 4.000 . 4.500 3.041 2.697 3.799 . 0 0 "[ . 1 .]" 1
1269 2 35 PRO QG 2 36 THR MG 4.000 . 4.500 3.508 2.369 4.174 . 0 0 "[ . 1 .]" 1
1270 2 35 PRO HA 2 35 PRO QD 4.000 . 4.500 3.319 3.268 3.368 . 0 0 "[ . 1 .]" 1
1271 2 35 PRO QD 2 36 THR MG 4.000 . 4.500 3.738 2.747 4.561 0.061 3 0 "[ . 1 .]" 1
1272 2 9 LEU QD 2 59 LEU QD 4.000 . 4.500 3.197 2.575 3.533 . 0 0 "[ . 1 .]" 1
1273 2 17 LEU QD 2 52 LEU QD 4.000 . 4.500 2.013 1.770 2.527 0.030 12 0 "[ . 1 .]" 1
1274 2 17 LEU HA 2 37 PHE HZ 5.000 . 5.500 4.317 3.730 5.109 . 0 0 "[ . 1 .]" 1
1275 2 17 LEU QD 2 37 PHE HZ 3.000 . 3.500 2.918 2.180 3.520 0.020 12 0 "[ . 1 .]" 1
1276 2 37 PHE HZ 2 40 MET ME 4.000 . 4.500 3.370 2.406 4.567 0.067 5 0 "[ . 1 .]" 1
1277 2 47 ILE QG 2 47 ILE MG 3.000 . 3.500 2.183 2.101 2.236 . 0 0 "[ . 1 .]" 1
1278 2 47 ILE MG 2 51 GLU QB 5.000 . 5.500 4.125 3.851 4.308 . 0 0 "[ . 1 .]" 1
1279 2 47 ILE MG 2 51 GLU QG 4.000 . 4.500 2.917 2.591 3.137 . 0 0 "[ . 1 .]" 1
1280 2 52 LEU HA 2 52 LEU HG 4.000 . 4.500 2.568 2.211 2.691 . 0 0 "[ . 1 .]" 1
1281 2 52 LEU HG 2 57 ALA MB 4.000 . 4.500 3.770 2.268 4.129 . 0 0 "[ . 1 .]" 1
1282 2 30 PHE HA 2 52 LEU QD 4.000 . 4.500 3.565 3.167 3.878 . 0 0 "[ . 1 .]" 1
1283 2 52 LEU QD 2 57 ALA MB 4.000 . 4.500 2.058 1.863 2.916 . 0 0 "[ . 1 .]" 1
1284 2 52 LEU QD 2 55 ILE MG 4.000 . 4.500 3.735 2.383 4.562 0.062 8 0 "[ . 1 .]" 1
1285 2 52 LEU QD 2 55 ILE MD 4.000 . 4.500 3.165 2.178 4.578 0.078 6 0 "[ . 1 .]" 1
1286 2 52 LEU QD 2 57 ALA HA 5.000 . 5.500 4.390 4.043 5.328 . 0 0 "[ . 1 .]" 1
1287 2 52 LEU HA 2 55 ILE HB 4.000 . 4.500 4.577 3.060 4.854 0.354 4 0 "[ . 1 .]" 1
1288 2 55 ILE HB 2 55 ILE MD 3.000 . 3.500 2.279 2.244 2.339 . 0 0 "[ . 1 .]" 1
1289 2 55 ILE QG 2 55 ILE MG 3.000 . 3.500 2.149 2.025 2.278 . 0 0 "[ . 1 .]" 1
1290 2 7 LYS QB 2 10 ILE MD 5.000 . 5.500 4.183 3.965 4.414 . 0 0 "[ . 1 .]" 1
1291 2 10 ILE QG 2 10 ILE MG 3.000 . 3.500 2.270 2.251 2.289 . 0 0 "[ . 1 .]" 1
1292 2 10 ILE MD 2 10 ILE MG 3.000 . 3.500 1.876 1.826 1.927 . 0 0 "[ . 1 .]" 1
1293 2 30 PHE QE 2 52 LEU QD 4.000 . 4.500 3.642 3.024 4.466 . 0 0 "[ . 1 .]" 1
1294 2 29 GLU QG 2 30 PHE QE 5.000 . 5.500 4.626 3.167 5.295 . 0 0 "[ . 1 .]" 1
1295 2 30 PHE QE 2 57 ALA MB 4.000 . 4.500 3.966 3.106 4.386 . 0 0 "[ . 1 .]" 1
1296 2 10 ILE MG 2 11 GLU HA 4.000 . 4.500 3.330 3.241 3.403 . 0 0 "[ . 1 .]" 1
1297 2 52 LEU QD 2 55 ILE QG 5.000 . 5.500 3.962 3.071 5.316 . 0 0 "[ . 1 .]" 1
1298 2 37 PHE HZ 2 39 ARG HA 5.000 . 5.500 4.162 3.443 4.711 . 0 0 "[ . 1 .]" 1
1299 2 63 HIS HA 2 64 PRO QD 5.000 . 5.500 2.342 2.074 3.498 . 0 0 "[ . 1 .]" 1
1300 2 41 ASP QB 2 43 ASN QD 5.000 . 5.500 2.818 1.903 4.418 . 0 0 "[ . 1 .]" 1
1301 2 32 ALA MB 2 39 ARG QD 4.500 . 5.000 4.126 3.037 5.017 0.017 2 0 "[ . 1 .]" 1
1302 2 32 ALA MB 2 39 ARG HE 5.000 . 5.500 5.114 3.322 5.576 0.076 14 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 4.587
_Distance_constraint_stats_list.Viol_max 0.058
_Distance_constraint_stats_list.Viol_rms 0.0101
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0170
_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
2 21 CYS 0.260 0.058 11 0 "[ . 1 .]"
2 26 CYS 0.084 0.046 14 0 "[ . 1 .]"
2 31 CYS 0.069 0.046 14 0 "[ . 1 .]"
2 60 CYS 0.199 0.058 11 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 21 CYS SG 2 26 CYS SG 4.000 3.700 4.000 3.975 3.834 4.016 0.016 11 0 "[ . 1 .]" 2
2 2 21 CYS SG 2 31 CYS SG 4.000 3.700 4.000 3.920 3.818 4.023 0.023 10 0 "[ . 1 .]" 2
3 2 21 CYS SG 2 60 CYS SG 4.000 3.700 4.000 4.004 3.884 4.058 0.058 11 0 "[ . 1 .]" 2
4 2 26 CYS SG 2 31 CYS SG 4.000 3.700 4.000 3.805 3.730 4.046 0.046 14 0 "[ . 1 .]" 2
5 2 26 CYS SG 2 60 CYS SG 4.000 3.700 4.000 3.876 3.816 3.956 . 0 0 "[ . 1 .]" 2
6 2 31 CYS SG 2 60 CYS SG 4.000 3.700 4.000 3.840 3.752 3.955 . 0 0 "[ . 1 .]" 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 218
_Distance_constraint_stats_list.Viol_count 238
_Distance_constraint_stats_list.Viol_total 316.960
_Distance_constraint_stats_list.Viol_max 0.917
_Distance_constraint_stats_list.Viol_rms 0.0363
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.0888
_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 GLU 1.916 0.587 14 2 "[ . 1 +-]"
1 20 ASP 2.132 0.917 7 1 "[ . + 1 .]"
1 22 TYR 2.901 0.555 10 1 "[ . + .]"
1 24 VAL 1.158 0.141 9 0 "[ . 1 .]"
1 25 MET 0.808 0.101 14 0 "[ . 1 .]"
1 30 PHE 1.595 0.147 14 0 "[ . 1 .]"
1 31 LEU 0.349 0.088 11 0 "[ . 1 .]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 35 LEU 1.564 0.165 12 0 "[ . 1 .]"
1 38 LEU 1.198 0.131 11 0 "[ . 1 .]"
1 39 PRO 0.130 0.089 15 0 "[ . 1 .]"
1 40 GLY 0.098 0.028 10 0 "[ . 1 .]"
1 41 VAL 1.249 0.262 7 0 "[ . 1 .]"
1 47 ALA 0.855 0.127 12 0 "[ . 1 .]"
1 48 ILE 2.324 0.285 1 0 "[ . 1 .]"
1 51 ALA 0.096 0.038 5 0 "[ . 1 .]"
1 52 MET 1.918 0.500 1 0 "[ . 1 .]"
1 55 LEU 0.843 0.092 12 0 "[ . 1 .]"
2 2 LYS 4.114 0.917 7 3 "[ . + 1 *-]"
2 3 ARG 1.625 0.141 9 0 "[ . 1 .]"
2 6 ALA 4.290 0.555 10 1 "[ . + .]"
2 7 LYS 0.000 0.000 . 0 "[ . 1 .]"
2 10 ILE 0.500 0.084 12 0 "[ . 1 .]"
2 11 GLU 0.000 0.000 . 0 "[ . 1 .]"
2 14 TYR 0.260 0.131 11 0 "[ . 1 .]"
2 42 ASN 1.279 0.262 7 0 "[ . 1 .]"
2 43 ASN 0.067 0.067 2 0 "[ . 1 .]"
2 44 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 45 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 46 ALA 2.555 0.285 1 0 "[ . 1 .]"
2 47 ILE 3.376 0.500 1 0 "[ . 1 .]"
2 49 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 50 LEU 2.571 0.165 12 0 "[ . 1 .]"
2 51 GLU 0.426 0.073 14 0 "[ . 1 .]"
2 53 TYR 0.065 0.061 5 0 "[ . 1 .]"
2 54 LYS 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 ASP HA 2 2 LYS QE 4.000 . 4.500 3.721 2.344 4.908 0.408 14 0 "[ . 1 .]" 3
2 1 20 ASP HA 2 2 LYS QD 4.500 . 5.000 3.996 2.824 5.110 0.110 15 0 "[ . 1 .]" 3
3 1 19 GLU QB 2 2 LYS QE 5.000 . 5.500 2.850 1.982 4.974 . 0 0 "[ . 1 .]" 3
4 1 19 GLU QG 2 2 LYS QE 5.000 . 5.500 4.125 2.698 5.759 0.259 14 0 "[ . 1 .]" 3
5 1 22 TYR QB 2 2 LYS QD 5.000 . 5.500 2.971 1.923 4.500 . 0 0 "[ . 1 .]" 3
6 1 22 TYR QB 2 2 LYS QE 5.000 . 5.500 2.719 2.051 3.170 . 0 0 "[ . 1 .]" 3
7 1 22 TYR HA 2 2 LYS QE 5.000 . 5.500 5.239 4.450 5.537 0.037 11 0 "[ . 1 .]" 3
8 1 22 TYR QD 2 2 LYS QB 4.000 . 4.500 2.921 2.529 3.684 . 0 0 "[ . 1 .]" 3
9 1 22 TYR QD 2 2 LYS QG 5.000 . 5.500 4.225 2.277 5.044 . 0 0 "[ . 1 .]" 3
10 1 22 TYR QD 2 2 LYS QD 4.000 . 4.500 3.312 2.498 4.391 . 0 0 "[ . 1 .]" 3
11 1 22 TYR QD 2 2 LYS QE 5.000 . 5.500 3.627 2.382 4.847 . 0 0 "[ . 1 .]" 3
12 1 22 TYR QD 2 6 ALA MB 5.000 . 5.500 4.992 4.604 5.274 . 0 0 "[ . 1 .]" 3
13 1 22 TYR QE 2 2 LYS QB 4.000 . 4.500 3.406 2.358 3.970 . 0 0 "[ . 1 .]" 3
14 1 22 TYR QE 2 2 LYS QD 5.000 . 5.500 4.715 3.669 5.450 . 0 0 "[ . 1 .]" 3
15 1 22 TYR QE 2 3 ARG HA 4.000 . 4.500 3.400 2.934 3.876 . 0 0 "[ . 1 .]" 3
16 1 22 TYR QE 2 3 ARG QG 4.000 . 4.500 3.084 2.456 3.685 . 0 0 "[ . 1 .]" 3
17 1 22 TYR QE 2 3 ARG QD 5.000 . 5.500 4.518 3.972 5.541 0.041 7 0 "[ . 1 .]" 3
18 1 22 TYR QE 2 6 ALA MB 3.000 . 3.500 3.645 3.198 4.055 0.555 10 1 "[ . + .]" 3
19 1 24 VAL QG 2 2 LYS QB 6.000 . 6.500 4.071 3.380 4.741 . 0 0 "[ . 1 .]" 3
20 1 24 VAL MG1 2 3 ARG HA 4.000 . 4.500 4.569 4.451 4.641 0.141 9 0 "[ . 1 .]" 3
21 1 24 VAL MG2 2 3 ARG HA 4.000 . 4.500 3.564 3.119 4.129 . 0 0 "[ . 1 .]" 3
22 1 24 VAL MG1 2 3 ARG QG 5.000 . 5.500 4.652 4.325 4.984 . 0 0 "[ . 1 .]" 3
23 1 24 VAL MG2 2 3 ARG QG 5.000 . 5.500 4.050 3.630 4.700 . 0 0 "[ . 1 .]" 3
24 1 24 VAL HB 2 6 ALA MB 4.000 . 4.500 3.971 3.596 4.569 0.069 15 0 "[ . 1 .]" 3
25 1 24 VAL MG1 2 6 ALA HA 5.000 . 5.500 4.655 4.325 4.905 . 0 0 "[ . 1 .]" 3
26 1 24 VAL MG2 2 6 ALA HA 5.000 . 5.500 3.908 3.672 4.341 . 0 0 "[ . 1 .]" 3
27 1 24 VAL MG1 2 6 ALA MB 3.000 . 3.500 2.448 2.153 2.689 . 0 0 "[ . 1 .]" 3
28 1 24 VAL MG2 2 6 ALA MB 3.000 . 3.500 2.096 1.916 2.473 . 0 0 "[ . 1 .]" 3
29 1 24 VAL HA 2 6 ALA MB 5.500 . 6.000 4.506 4.262 4.774 . 0 0 "[ . 1 .]" 3
30 1 24 VAL QG 2 10 ILE MD 4.500 . 5.000 3.261 3.015 3.539 . 0 0 "[ . 1 .]" 3
31 1 24 VAL MG1 2 53 TYR QE 4.000 . 4.500 2.696 1.941 3.393 . 0 0 "[ . 1 .]" 3
32 1 24 VAL MG2 2 53 TYR QE 4.000 . 4.500 2.771 1.928 3.388 . 0 0 "[ . 1 .]" 3
33 1 24 VAL MG1 2 53 TYR QD 5.000 . 5.500 3.946 3.461 4.538 . 0 0 "[ . 1 .]" 3
34 1 24 VAL MG2 2 53 TYR QD 5.000 . 5.500 4.678 4.005 5.099 . 0 0 "[ . 1 .]" 3
35 1 24 VAL HB 2 53 TYR QE 5.000 . 5.500 2.567 2.299 2.879 . 0 0 "[ . 1 .]" 3
36 1 25 MET ME 2 10 ILE MD 5.000 . 5.500 4.952 4.189 5.561 0.061 5 0 "[ . 1 .]" 3
37 1 25 MET ME 2 50 LEU HA 5.000 . 5.500 5.062 4.406 5.560 0.060 15 0 "[ . 1 .]" 3
38 1 25 MET ME 2 50 LEU QB 5.000 . 5.500 4.957 4.633 5.263 . 0 0 "[ . 1 .]" 3
39 1 25 MET ME 2 50 LEU HG 4.000 . 4.500 3.314 2.881 3.671 . 0 0 "[ . 1 .]" 3
40 1 25 MET ME 2 50 LEU MD1 3.000 . 3.500 2.943 2.530 3.284 . 0 0 "[ . 1 .]" 3
41 1 25 MET ME 2 50 LEU MD2 3.000 . 3.500 3.523 3.361 3.601 0.101 14 0 "[ . 1 .]" 3
42 1 25 MET QG 2 53 TYR QE 5.000 . 5.500 4.235 3.125 5.227 . 0 0 "[ . 1 .]" 3
43 1 25 MET ME 2 53 TYR QD 4.000 . 4.500 3.165 2.087 3.849 . 0 0 "[ . 1 .]" 3
44 1 25 MET ME 2 53 TYR QE 4.000 . 4.500 3.898 2.951 4.561 0.061 5 0 "[ . 1 .]" 3
45 1 25 MET ME 2 54 LYS HA 4.000 . 4.500 3.197 2.504 3.788 . 0 0 "[ . 1 .]" 3
46 1 25 MET ME 2 54 LYS QB 4.000 . 4.500 2.441 1.901 3.681 . 0 0 "[ . 1 .]" 3
47 1 25 MET ME 2 54 LYS QG 4.000 . 4.500 2.671 2.026 3.441 . 0 0 "[ . 1 .]" 3
48 1 25 MET ME 2 54 LYS QD 5.000 . 5.500 2.755 2.004 3.962 . 0 0 "[ . 1 .]" 3
49 1 25 MET ME 2 54 LYS QE 4.000 . 4.500 3.492 2.052 4.247 . 0 0 "[ . 1 .]" 3
50 1 25 MET QG 2 54 LYS QD 5.000 . 5.500 4.152 3.212 4.785 . 0 0 "[ . 1 .]" 3
51 1 25 MET QG 2 54 LYS HA 5.000 . 5.500 4.455 3.390 5.172 . 0 0 "[ . 1 .]" 3
52 1 30 PHE QD 2 3 ARG HA 5.000 . 5.500 4.521 4.097 4.892 . 0 0 "[ . 1 .]" 3
53 1 30 PHE QD 2 3 ARG QB 4.000 . 4.500 3.676 3.001 4.232 . 0 0 "[ . 1 .]" 3
54 1 30 PHE QE 2 3 ARG QB 4.000 . 4.500 2.862 2.640 3.214 . 0 0 "[ . 1 .]" 3
55 1 30 PHE QD 2 3 ARG QG 5.000 . 5.500 4.084 3.769 4.402 . 0 0 "[ . 1 .]" 3
56 1 30 PHE QE 2 3 ARG QG 5.000 . 5.500 4.201 3.969 4.494 . 0 0 "[ . 1 .]" 3
57 1 30 PHE QD 2 3 ARG QD 4.000 . 4.500 3.611 3.073 4.477 . 0 0 "[ . 1 .]" 3
58 1 30 PHE QE 2 3 ARG QD 4.000 . 4.500 3.806 3.334 4.597 0.097 7 0 "[ . 1 .]" 3
59 1 30 PHE QE 2 3 ARG HA 5.000 . 5.500 3.716 3.427 3.932 . 0 0 "[ . 1 .]" 3
60 1 30 PHE QD 2 6 ALA MB 3.000 . 3.500 3.592 3.528 3.647 0.147 14 0 "[ . 1 .]" 3
61 1 30 PHE QE 2 6 ALA MB 4.000 . 4.500 2.387 2.194 2.740 . 0 0 "[ . 1 .]" 3
62 1 30 PHE QE 2 7 LYS HA 5.000 . 5.500 3.571 3.377 3.810 . 0 0 "[ . 1 .]" 3
63 1 30 PHE QE 2 7 LYS QB 5.000 . 5.500 2.766 2.349 3.348 . 0 0 "[ . 1 .]" 3
64 1 30 PHE QE 2 7 LYS QD 5.000 . 5.500 3.970 3.657 4.143 . 0 0 "[ . 1 .]" 3
65 1 30 PHE QD 2 10 ILE MD 5.000 . 5.500 4.262 4.030 4.631 . 0 0 "[ . 1 .]" 3
66 1 30 PHE QE 2 10 ILE MD 5.000 . 5.500 3.837 3.457 4.147 . 0 0 "[ . 1 .]" 3
67 1 31 LEU QD 2 6 ALA MB 4.000 . 4.500 3.498 3.097 3.734 . 0 0 "[ . 1 .]" 3
68 1 31 LEU HG 2 6 ALA MB 5.000 . 5.500 5.228 4.795 5.453 . 0 0 "[ . 1 .]" 3
69 1 31 LEU HA 2 6 ALA MB 5.000 . 5.500 5.462 5.289 5.588 0.088 11 0 "[ . 1 .]" 3
70 1 31 LEU HA 2 10 ILE MD 4.000 . 4.500 3.520 3.296 3.908 . 0 0 "[ . 1 .]" 3
71 1 31 LEU QD 2 10 ILE MD 3.000 . 3.500 2.154 1.869 2.575 . 0 0 "[ . 1 .]" 3
72 1 31 LEU HA 2 50 LEU QD 5.000 . 5.500 4.278 3.961 4.657 . 0 0 "[ . 1 .]" 3
73 1 31 LEU QB 2 50 LEU QD 4.500 . 5.000 2.900 2.633 3.330 . 0 0 "[ . 1 .]" 3
74 1 31 LEU MD1 2 50 LEU MD1 4.000 . 4.500 2.798 2.402 3.417 . 0 0 "[ . 1 .]" 3
75 1 31 LEU MD1 2 50 LEU MD2 4.000 . 4.500 3.498 2.952 3.979 . 0 0 "[ . 1 .]" 3
76 1 31 LEU MD2 2 50 LEU MD1 4.000 . 4.500 2.469 2.063 2.864 . 0 0 "[ . 1 .]" 3
77 1 31 LEU MD2 2 50 LEU MD2 4.000 . 4.500 3.939 3.416 4.519 0.019 15 0 "[ . 1 .]" 3
78 1 31 LEU QD 2 50 LEU HG 5.000 . 5.500 4.255 3.917 4.653 . 0 0 "[ . 1 .]" 3
79 1 31 LEU QD 2 53 TYR QD 5.000 . 5.500 3.562 3.259 4.007 . 0 0 "[ . 1 .]" 3
80 1 31 LEU QD 2 53 TYR QE 5.000 . 5.500 3.586 3.098 3.887 . 0 0 "[ . 1 .]" 3
81 1 34 VAL QG 2 6 ALA MB 5.000 . 5.500 3.917 3.733 4.100 . 0 0 "[ . 1 .]" 3
82 1 34 VAL MG1 2 7 LYS HA 5.000 . 5.500 2.656 2.378 3.042 . 0 0 "[ . 1 .]" 3
83 1 34 VAL MG2 2 7 LYS HA 5.000 . 5.500 2.484 2.291 2.734 . 0 0 "[ . 1 .]" 3
84 1 34 VAL MG1 2 7 LYS QB 5.000 . 5.500 3.785 3.567 4.252 . 0 0 "[ . 1 .]" 3
85 1 34 VAL MG2 2 7 LYS QB 5.000 . 5.500 2.590 2.337 2.925 . 0 0 "[ . 1 .]" 3
86 1 34 VAL MG1 2 7 LYS QG 5.000 . 5.500 2.437 2.155 2.960 . 0 0 "[ . 1 .]" 3
87 1 34 VAL MG2 2 7 LYS QG 5.000 . 5.500 2.196 2.067 2.286 . 0 0 "[ . 1 .]" 3
88 1 34 VAL HB 2 10 ILE MD 5.000 . 5.500 3.137 2.865 3.432 . 0 0 "[ . 1 .]" 3
89 1 34 VAL HB 2 10 ILE MG 5.000 . 5.500 3.792 3.484 4.157 . 0 0 "[ . 1 .]" 3
90 1 34 VAL QG 2 10 ILE HB 4.000 . 4.500 2.402 2.252 2.713 . 0 0 "[ . 1 .]" 3
91 1 34 VAL QG 2 10 ILE QG 5.000 . 5.500 3.538 3.314 3.853 . 0 0 "[ . 1 .]" 3
92 1 34 VAL QG 2 10 ILE MD 4.000 . 4.500 2.145 1.905 2.471 . 0 0 "[ . 1 .]" 3
93 1 34 VAL QG 2 10 ILE MG 4.000 . 4.500 2.107 1.922 2.360 . 0 0 "[ . 1 .]" 3
94 1 34 VAL QG 2 50 LEU QD 5.000 . 5.500 4.136 3.751 4.535 . 0 0 "[ . 1 .]" 3
95 1 35 LEU HA 2 10 ILE MG 4.000 . 4.500 4.317 4.036 4.474 . 0 0 "[ . 1 .]" 3
96 1 35 LEU HG 2 10 ILE MG 4.000 . 4.500 4.179 3.837 4.447 . 0 0 "[ . 1 .]" 3
97 1 35 LEU HG 2 10 ILE MD 4.000 . 4.500 4.356 4.060 4.584 0.084 12 0 "[ . 1 .]" 3
98 1 35 LEU QD 2 10 ILE MD 4.000 . 4.500 3.883 3.631 4.131 . 0 0 "[ . 1 .]" 3
99 1 35 LEU HA 2 46 ALA MB 5.000 . 5.500 3.806 3.571 4.281 . 0 0 "[ . 1 .]" 3
100 1 35 LEU QB 2 46 ALA MB 5.000 . 5.500 3.731 3.327 4.144 . 0 0 "[ . 1 .]" 3
101 1 35 LEU HG 2 46 ALA MB 5.000 . 5.500 4.861 4.555 5.297 . 0 0 "[ . 1 .]" 3
102 1 35 LEU QD 2 46 ALA HA 4.500 . 5.000 3.599 3.078 4.068 . 0 0 "[ . 1 .]" 3
103 1 35 LEU QD 2 46 ALA MB 3.000 . 3.500 2.229 2.011 2.548 . 0 0 "[ . 1 .]" 3
104 1 35 LEU QD 2 47 ILE HA 4.000 . 4.500 3.727 3.483 4.135 . 0 0 "[ . 1 .]" 3
105 1 35 LEU QD 2 47 ILE MD 4.000 . 4.500 3.098 2.769 3.588 . 0 0 "[ . 1 .]" 3
106 1 35 LEU QD 2 47 ILE QG 5.000 . 5.500 4.465 4.126 4.959 . 0 0 "[ . 1 .]" 3
107 1 35 LEU QD 2 49 ALA MB 5.000 . 5.500 3.828 3.350 4.227 . 0 0 "[ . 1 .]" 3
108 1 35 LEU QD 2 50 LEU HA 5.000 . 5.500 4.228 3.991 4.488 . 0 0 "[ . 1 .]" 3
109 1 35 LEU QD 2 50 LEU QB 4.000 . 4.500 2.656 2.449 2.794 . 0 0 "[ . 1 .]" 3
110 1 35 LEU QD 2 50 LEU HG 4.000 . 4.500 4.591 4.519 4.665 0.165 12 0 "[ . 1 .]" 3
111 1 35 LEU MD1 2 50 LEU MD1 4.000 . 4.500 3.470 3.130 3.807 . 0 0 "[ . 1 .]" 3
112 1 35 LEU MD1 2 50 LEU MD2 4.000 . 4.500 2.478 2.292 2.692 . 0 0 "[ . 1 .]" 3
113 1 35 LEU MD2 2 50 LEU MD1 4.000 . 4.500 3.440 3.089 3.591 . 0 0 "[ . 1 .]" 3
114 1 35 LEU MD2 2 50 LEU MD2 4.000 . 4.500 3.281 2.910 3.700 . 0 0 "[ . 1 .]" 3
115 1 38 LEU HG 2 10 ILE MG 4.500 . 5.000 4.147 3.927 4.985 . 0 0 "[ . 1 .]" 3
116 1 38 LEU MD1 2 10 ILE MG 3.000 . 3.500 2.687 2.472 3.026 . 0 0 "[ . 1 .]" 3
117 1 38 LEU MD2 2 10 ILE MG 3.000 . 3.500 3.375 2.961 3.578 0.078 14 0 "[ . 1 .]" 3
118 1 38 LEU QD 2 10 ILE MD 4.500 . 5.000 4.448 4.206 4.554 . 0 0 "[ . 1 .]" 3
119 1 38 LEU QD 2 11 GLU HA 4.000 . 4.500 2.584 2.249 3.109 . 0 0 "[ . 1 .]" 3
120 1 38 LEU QD 2 11 GLU QB 5.000 . 5.500 3.533 3.186 3.920 . 0 0 "[ . 1 .]" 3
121 1 38 LEU QD 2 11 GLU QG 4.000 . 4.500 2.975 2.161 3.994 . 0 0 "[ . 1 .]" 3
122 1 38 LEU HA 2 14 TYR QE 5.000 . 5.500 4.797 4.256 5.111 . 0 0 "[ . 1 .]" 3
123 1 38 LEU QB 2 14 TYR QE 5.000 . 5.500 3.677 3.409 4.023 . 0 0 "[ . 1 .]" 3
124 1 38 LEU QD 2 14 TYR HA 5.000 . 5.500 4.168 3.929 4.458 . 0 0 "[ . 1 .]" 3
125 1 38 LEU MD1 2 14 TYR QB 4.000 . 4.500 2.657 2.328 3.470 . 0 0 "[ . 1 .]" 3
126 1 38 LEU MD2 2 14 TYR QB 4.000 . 4.500 2.494 2.267 2.897 . 0 0 "[ . 1 .]" 3
127 1 38 LEU MD1 2 14 TYR QD 4.000 . 4.500 3.039 2.649 3.860 . 0 0 "[ . 1 .]" 3
128 1 38 LEU MD2 2 14 TYR QD 4.000 . 4.500 2.701 2.538 3.002 . 0 0 "[ . 1 .]" 3
129 1 38 LEU MD1 2 14 TYR QE 4.000 . 4.500 3.789 3.404 4.631 0.131 11 0 "[ . 1 .]" 3
130 1 38 LEU MD2 2 14 TYR QE 4.000 . 4.500 3.392 3.060 3.750 . 0 0 "[ . 1 .]" 3
131 1 38 LEU QB 2 46 ALA MB 4.500 . 5.000 3.377 3.097 3.642 . 0 0 "[ . 1 .]" 3
132 1 38 LEU QD 2 46 ALA MB 3.000 . 3.500 2.380 2.120 2.605 . 0 0 "[ . 1 .]" 3
133 1 38 LEU QD 2 46 ALA HA 4.000 . 4.500 2.929 2.703 3.066 . 0 0 "[ . 1 .]" 3
134 1 38 LEU QD 2 49 ALA MB 4.000 . 4.500 3.288 3.026 3.567 . 0 0 "[ . 1 .]" 3
135 1 39 PRO QB 2 14 TYR QE 5.000 . 5.500 4.559 4.041 5.016 . 0 0 "[ . 1 .]" 3
136 1 39 PRO QG 2 14 TYR QE 4.000 . 4.500 3.078 2.287 4.589 0.089 15 0 "[ . 1 .]" 3
137 1 39 PRO QD 2 14 TYR QD 5.000 . 5.500 3.802 3.343 4.317 . 0 0 "[ . 1 .]" 3
138 1 39 PRO QD 2 14 TYR QE 4.000 . 4.500 2.925 2.572 3.323 . 0 0 "[ . 1 .]" 3
139 1 41 VAL HA 2 42 ASN QB 4.500 . 5.000 4.082 3.824 4.989 . 0 0 "[ . 1 .]" 3
140 1 41 VAL QG 2 42 ASN HA 5.000 . 5.500 3.876 3.491 4.339 . 0 0 "[ . 1 .]" 3
141 1 41 VAL QG 2 42 ASN QB 4.000 . 4.500 2.403 2.034 2.773 . 0 0 "[ . 1 .]" 3
142 1 41 VAL QG 2 43 ASN HA 4.000 . 4.500 2.443 1.981 2.759 . 0 0 "[ . 1 .]" 3
143 1 41 VAL HA 2 46 ALA MB 5.000 . 5.500 4.521 4.243 4.932 . 0 0 "[ . 1 .]" 3
144 1 41 VAL HB 2 46 ALA MB 5.000 . 5.500 4.049 3.661 4.385 . 0 0 "[ . 1 .]" 3
145 1 41 VAL QG 2 46 ALA HA 5.000 . 5.500 3.847 3.586 4.060 . 0 0 "[ . 1 .]" 3
146 1 41 VAL MG1 2 46 ALA MB 3.000 . 3.500 2.471 2.191 2.847 . 0 0 "[ . 1 .]" 3
147 1 41 VAL MG2 2 46 ALA MB 3.000 . 3.500 2.167 2.005 2.402 . 0 0 "[ . 1 .]" 3
148 1 41 VAL QG 2 14 TYR QE 4.000 . 4.500 3.241 2.850 3.769 . 0 0 "[ . 1 .]" 3
149 1 41 VAL QG 2 14 TYR QD 5.000 . 5.500 4.200 3.996 4.486 . 0 0 "[ . 1 .]" 3
150 1 47 ALA MB 2 43 ASN HA 5.000 . 5.500 4.360 3.776 4.764 . 0 0 "[ . 1 .]" 3
151 1 47 ALA MB 2 43 ASN QB 4.000 . 4.500 2.526 2.062 2.975 . 0 0 "[ . 1 .]" 3
152 1 47 ALA MB 2 44 ALA HA 4.000 . 4.500 3.868 3.586 4.225 . 0 0 "[ . 1 .]" 3
153 1 47 ALA HA 2 47 ILE QG 4.000 . 4.500 4.544 4.359 4.627 0.127 12 0 "[ . 1 .]" 3
154 1 47 ALA HA 2 47 ILE MD 5.000 . 5.500 4.562 4.100 5.011 . 0 0 "[ . 1 .]" 3
155 1 47 ALA MB 2 47 ILE HB 5.000 . 5.500 4.751 4.351 4.999 . 0 0 "[ . 1 .]" 3
156 1 47 ALA MB 2 47 ILE QG 4.000 . 4.500 3.004 2.735 3.423 . 0 0 "[ . 1 .]" 3
157 1 47 ALA MB 2 47 ILE MD 4.000 . 4.500 3.175 2.608 3.765 . 0 0 "[ . 1 .]" 3
158 1 47 ALA MB 2 47 ILE MG 5.000 . 5.500 4.534 4.275 4.933 . 0 0 "[ . 1 .]" 3
159 1 48 ILE QG 2 43 ASN HA 5.000 . 5.500 4.380 3.831 4.851 . 0 0 "[ . 1 .]" 3
160 1 48 ILE MD 2 43 ASN HA 4.000 . 4.500 3.151 2.560 4.018 . 0 0 "[ . 1 .]" 3
161 1 48 ILE QG 2 43 ASN QB 5.000 . 5.500 4.088 2.939 4.938 . 0 0 "[ . 1 .]" 3
162 1 48 ILE MD 2 43 ASN QB 4.000 . 4.500 3.155 2.404 4.289 . 0 0 "[ . 1 .]" 3
163 1 48 ILE MD 2 46 ALA HA 5.000 . 5.500 5.565 5.175 5.785 0.285 1 0 "[ . 1 .]" 3
164 1 48 ILE QG 2 46 ALA MB 5.000 . 5.500 3.739 3.293 4.355 . 0 0 "[ . 1 .]" 3
165 1 48 ILE MD 2 46 ALA MB 3.000 . 3.500 2.924 2.696 3.099 . 0 0 "[ . 1 .]" 3
166 1 48 ILE HA 2 47 ILE QG 5.000 . 5.500 3.939 3.644 4.111 . 0 0 "[ . 1 .]" 3
167 1 48 ILE HA 2 47 ILE MD 3.000 . 3.500 2.312 2.226 2.573 . 0 0 "[ . 1 .]" 3
168 1 48 ILE HB 2 47 ILE MD 5.000 . 5.500 4.692 4.513 4.856 . 0 0 "[ . 1 .]" 3
169 1 48 ILE QG 2 47 ILE MD 3.000 . 3.500 3.109 2.658 3.678 0.178 11 0 "[ . 1 .]" 3
170 1 48 ILE MD 2 47 ILE HA 5.000 . 5.500 4.804 4.193 5.412 . 0 0 "[ . 1 .]" 3
171 1 48 ILE MD 2 47 ILE HB 5.000 . 5.500 5.277 4.997 5.615 0.115 5 0 "[ . 1 .]" 3
172 1 48 ILE MD 2 47 ILE QG 4.000 . 4.500 3.390 2.780 4.243 . 0 0 "[ . 1 .]" 3
173 1 48 ILE MD 2 47 ILE MD 3.000 . 3.500 2.435 2.041 2.699 . 0 0 "[ . 1 .]" 3
174 1 51 ALA HA 2 47 ILE MD 5.000 . 5.500 4.181 3.960 4.919 . 0 0 "[ . 1 .]" 3
175 1 51 ALA HA 2 47 ILE MG 5.000 . 5.500 4.184 3.790 4.725 . 0 0 "[ . 1 .]" 3
176 1 51 ALA MB 2 47 ILE HA 4.000 . 4.500 3.784 3.465 3.906 . 0 0 "[ . 1 .]" 3
177 1 51 ALA MB 2 47 ILE HB 5.000 . 5.500 4.542 4.371 4.859 . 0 0 "[ . 1 .]" 3
178 1 51 ALA MB 2 47 ILE QG 4.000 . 4.500 2.721 2.009 3.298 . 0 0 "[ . 1 .]" 3
179 1 51 ALA MB 2 47 ILE MD 3.000 . 3.500 1.996 1.814 2.600 . 0 0 "[ . 1 .]" 3
180 1 51 ALA MB 2 47 ILE MG 4.000 . 4.500 2.759 2.351 3.520 . 0 0 "[ . 1 .]" 3
181 1 51 ALA HA 2 50 LEU QD 5.000 . 5.500 5.328 4.944 5.538 0.038 5 0 "[ . 1 .]" 3
182 1 51 ALA MB 2 50 LEU QD 4.000 . 4.500 3.295 3.032 3.491 . 0 0 "[ . 1 .]" 3
183 1 52 MET ME 2 47 ILE HA 4.500 . 5.000 5.120 5.008 5.500 0.500 1 0 "[ . 1 .]" 3
184 1 52 MET ME 2 47 ILE MD 4.000 . 4.500 3.804 3.358 4.624 0.124 1 0 "[ . 1 .]" 3
185 1 52 MET HA 2 50 LEU QD 4.500 . 5.000 4.445 4.264 4.662 . 0 0 "[ . 1 .]" 3
186 1 52 MET ME 2 50 LEU MD1 4.000 . 4.500 3.684 3.424 3.996 . 0 0 "[ . 1 .]" 3
187 1 52 MET ME 2 50 LEU MD2 4.000 . 4.500 2.145 1.916 2.694 . 0 0 "[ . 1 .]" 3
188 1 55 LEU QB 2 50 LEU QD 5.000 . 5.500 3.612 3.472 3.731 . 0 0 "[ . 1 .]" 3
189 1 55 LEU HG 2 50 LEU QD 4.500 . 5.000 5.013 4.881 5.092 0.092 12 0 "[ . 1 .]" 3
190 1 55 LEU QD 2 50 LEU MD1 4.000 . 4.500 3.579 3.393 3.676 . 0 0 "[ . 1 .]" 3
191 1 55 LEU QD 2 50 LEU MD2 4.000 . 4.500 2.559 2.346 2.680 . 0 0 "[ . 1 .]" 3
192 1 55 LEU QD 2 51 GLU HA 4.500 . 5.000 4.979 4.774 5.073 0.073 14 0 "[ . 1 .]" 3
193 1 55 LEU QD 2 51 GLU QG 4.500 . 5.000 4.705 4.424 5.055 0.055 1 0 "[ . 1 .]" 3
194 1 55 LEU QD 2 54 LYS QB 4.500 . 5.000 4.057 3.768 4.516 . 0 0 "[ . 1 .]" 3
195 1 55 LEU QD 2 54 LYS QE 4.500 . 5.000 3.444 2.106 4.709 . 0 0 "[ . 1 .]" 3
196 1 55 LEU QD 2 54 LYS QD 4.500 . 5.000 3.156 2.579 3.954 . 0 0 "[ . 1 .]" 3
197 1 22 TYR QD 2 3 ARG H 5.000 . 5.500 5.314 4.477 5.611 0.111 15 0 "[ . 1 .]" 3
198 1 22 TYR QE 2 3 ARG H 5.000 . 5.500 4.582 4.142 4.841 . 0 0 "[ . 1 .]" 3
199 1 30 PHE QD 2 3 ARG HE 5.000 . 5.500 5.062 2.771 5.551 0.051 6 0 "[ . 1 .]" 3
200 1 30 PHE QE 2 7 LYS H 5.000 . 5.500 3.010 2.830 3.390 . 0 0 "[ . 1 .]" 3
201 1 34 VAL QG 2 7 LYS H 5.000 . 5.500 3.956 3.781 4.193 . 0 0 "[ . 1 .]" 3
202 1 34 VAL QG 2 10 ILE H 5.000 . 5.500 4.205 4.073 4.451 . 0 0 "[ . 1 .]" 3
203 1 38 LEU QD 2 14 TYR H 5.000 . 5.500 4.077 3.834 4.450 . 0 0 "[ . 1 .]" 3
204 1 38 LEU QD 2 46 ALA H 4.000 . 4.500 4.528 4.102 4.619 0.119 9 0 "[ . 1 .]" 3
205 1 40 GLY QA 2 42 ASN QD 4.000 . 4.500 2.121 1.772 3.343 0.028 10 0 "[ . 1 .]" 3
206 1 41 VAL HA 2 42 ASN QD 5.000 . 5.500 5.383 3.502 5.762 0.262 7 0 "[ . 1 .]" 3
207 1 41 VAL QG 2 42 ASN H 5.000 . 5.500 4.948 4.354 5.307 . 0 0 "[ . 1 .]" 3
208 1 41 VAL QG 2 42 ASN QD 5.000 . 5.500 4.083 2.235 4.595 . 0 0 "[ . 1 .]" 3
209 1 41 VAL HA 2 43 ASN H 5.000 . 5.500 4.999 4.387 5.567 0.067 2 0 "[ . 1 .]" 3
210 1 41 VAL QG 2 43 ASN H 5.000 . 5.500 3.652 3.008 3.909 . 0 0 "[ . 1 .]" 3
211 1 41 VAL QG 2 44 ALA H 5.000 . 5.500 4.586 4.210 4.931 . 0 0 "[ . 1 .]" 3
212 1 41 VAL QG 2 45 ALA H 5.000 . 5.500 4.786 4.398 5.108 . 0 0 "[ . 1 .]" 3
213 1 41 VAL QG 2 46 ALA H 4.000 . 4.500 3.513 3.154 3.756 . 0 0 "[ . 1 .]" 3
214 1 41 VAL QG 2 47 ILE H 5.000 . 5.500 4.012 3.741 4.235 . 0 0 "[ . 1 .]" 3
215 1 48 ILE H 2 47 ILE MD 4.000 . 4.500 3.991 3.736 4.335 . 0 0 "[ . 1 .]" 3
216 1 51 ALA H 2 47 ILE MD 4.000 . 4.500 3.763 3.562 4.385 . 0 0 "[ . 1 .]" 3
217 1 20 ASP OD1 2 2 LYS NZ 3.500 . 4.000 3.982 3.282 4.917 0.917 7 1 "[ . + 1 .]" 3
218 1 19 GLU OE1 2 2 LYS NZ 3.500 . 4.000 3.944 3.131 4.587 0.587 14 2 "[ . 1 +-]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 74
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.060
_Distance_constraint_stats_list.Viol_max 0.002
_Distance_constraint_stats_list.Viol_rms 0.0001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0020
_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 28 PRO 0.002 0.002 11 0 "[ . 1 .]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 32 GLN 0.002 0.002 11 0 "[ . 1 .]"
1 33 SER 0.000 0.000 . 0 "[ . 1 .]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 48 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 49 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 50 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 52 MET 0.000 0.000 . 0 "[ . 1 .]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 54 SER 0.000 0.000 . 0 "[ . 1 .]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 57 SER 0.000 0.000 . 0 "[ . 1 .]"
2 3 ARG 0.000 0.000 . 0 "[ . 1 .]"
2 4 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 5 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 7 LYS 0.000 0.000 . 0 "[ . 1 .]"
2 8 HIS 0.000 0.000 . 0 "[ . 1 .]"
2 9 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 10 ILE 0.000 0.000 . 0 "[ . 1 .]"
2 11 GLU 0.000 0.000 . 0 "[ . 1 .]"
2 12 ARG 0.000 0.000 . 0 "[ . 1 .]"
2 13 TYR 0.000 0.000 . 0 "[ . 1 .]"
2 14 TYR 0.000 0.000 . 0 "[ . 1 .]"
2 15 HIS 0.000 0.000 . 0 "[ . 1 .]"
2 16 GLN 0.000 0.000 . 0 "[ . 1 .]"
2 17 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 18 THR 0.000 0.000 . 0 "[ . 1 .]"
2 42 ASN 0.000 0.000 . 0 "[ . 1 .]"
2 43 ASN 0.000 0.000 . 0 "[ . 1 .]"
2 44 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 45 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 46 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 47 ILE 0.000 0.000 . 0 "[ . 1 .]"
2 48 LYS 0.002 0.002 10 0 "[ . 1 .]"
2 49 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 50 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 51 GLU 0.000 0.000 . 0 "[ . 1 .]"
2 52 LEU 0.002 0.002 10 0 "[ . 1 .]"
2 53 TYR 0.000 0.000 . 0 "[ . 1 .]"
2 54 LYS 0.000 0.000 . 0 "[ . 1 .]"
2 55 ILE 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 28 PRO O 1 32 GLN H 2.150 . 2.500 1.927 1.798 2.117 0.002 11 0 "[ . 1 .]" 4
2 1 28 PRO O 1 32 GLN N 2.900 2.500 3.300 2.841 2.714 3.033 . 0 0 "[ . 1 .]" 4
3 1 29 GLU O 1 33 SER H 2.150 . 2.500 2.176 1.959 2.288 . 0 0 "[ . 1 .]" 4
4 1 29 GLU O 1 33 SER N 2.900 2.500 3.300 3.091 2.872 3.205 . 0 0 "[ . 1 .]" 4
5 1 30 PHE O 1 34 VAL H 2.150 . 2.500 2.230 2.143 2.302 . 0 0 "[ . 1 .]" 4
6 1 30 PHE O 1 34 VAL N 2.900 2.500 3.300 3.142 3.032 3.214 . 0 0 "[ . 1 .]" 4
7 1 31 LEU O 1 35 LEU H 2.150 . 2.500 2.107 1.947 2.298 . 0 0 "[ . 1 .]" 4
8 1 31 LEU O 1 35 LEU N 2.900 2.500 3.300 3.055 2.889 3.235 . 0 0 "[ . 1 .]" 4
9 1 32 GLN O 1 36 GLU H 2.150 . 2.500 2.054 1.909 2.159 . 0 0 "[ . 1 .]" 4
10 1 32 GLN O 1 36 GLU N 2.900 2.500 3.300 2.981 2.844 3.099 . 0 0 "[ . 1 .]" 4
11 1 33 SER O 1 37 ASN H 2.150 . 2.500 2.038 1.901 2.155 . 0 0 "[ . 1 .]" 4
12 1 33 SER O 1 37 ASN N 2.900 2.500 3.300 2.928 2.786 3.061 . 0 0 "[ . 1 .]" 4
13 1 34 VAL O 1 38 LEU H 2.150 . 2.500 2.298 2.278 2.325 . 0 0 "[ . 1 .]" 4
14 1 34 VAL O 1 38 LEU N 2.900 2.500 3.300 3.186 3.160 3.210 . 0 0 "[ . 1 .]" 4
15 1 46 GLU O 1 50 ASN H 2.150 . 2.500 1.879 1.807 1.992 . 0 0 "[ . 1 .]" 4
16 1 46 GLU O 1 50 ASN N 2.900 2.500 3.300 2.831 2.737 2.952 . 0 0 "[ . 1 .]" 4
17 1 47 ALA O 1 51 ALA H 2.150 . 2.500 1.982 1.900 2.124 . 0 0 "[ . 1 .]" 4
18 1 47 ALA O 1 51 ALA N 2.900 2.500 3.300 2.892 2.790 3.031 . 0 0 "[ . 1 .]" 4
19 1 48 ILE O 1 52 MET H 2.150 . 2.500 2.086 1.988 2.258 . 0 0 "[ . 1 .]" 4
20 1 48 ILE O 1 52 MET N 2.900 2.500 3.300 3.017 2.927 3.182 . 0 0 "[ . 1 .]" 4
21 1 49 ARG O 1 53 GLY H 2.150 . 2.500 2.172 2.081 2.238 . 0 0 "[ . 1 .]" 4
22 1 49 ARG O 1 53 GLY N 2.900 2.500 3.300 3.086 3.000 3.154 . 0 0 "[ . 1 .]" 4
23 1 50 ASN O 1 54 SER H 2.150 . 2.500 2.070 1.979 2.156 . 0 0 "[ . 1 .]" 4
24 1 50 ASN O 1 54 SER N 2.900 2.500 3.300 3.014 2.920 3.102 . 0 0 "[ . 1 .]" 4
25 1 51 ALA O 1 55 LEU H 2.150 . 2.500 2.023 1.942 2.095 . 0 0 "[ . 1 .]" 4
26 1 51 ALA O 1 55 LEU N 2.900 2.500 3.300 2.946 2.859 3.007 . 0 0 "[ . 1 .]" 4
27 1 52 MET O 1 56 ALA H 2.150 . 2.500 2.028 1.841 2.233 . 0 0 "[ . 1 .]" 4
28 1 52 MET O 1 56 ALA N 2.900 2.500 3.300 2.968 2.762 3.165 . 0 0 "[ . 1 .]" 4
29 1 53 GLY O 1 57 SER H 2.150 . 2.500 2.146 1.847 2.267 . 0 0 "[ . 1 .]" 4
30 1 53 GLY O 1 57 SER N 2.900 2.500 3.300 2.951 2.592 3.186 . 0 0 "[ . 1 .]" 4
31 2 3 ARG O 2 7 LYS H 2.150 . 2.500 2.232 2.106 2.298 . 0 0 "[ . 1 .]" 4
32 2 3 ARG O 2 7 LYS N 2.900 2.500 3.300 3.155 3.031 3.238 . 0 0 "[ . 1 .]" 4
33 2 4 ALA O 2 8 HIS H 2.150 . 2.500 2.108 2.014 2.290 . 0 0 "[ . 1 .]" 4
34 2 4 ALA O 2 8 HIS N 2.900 2.500 3.300 3.049 2.951 3.220 . 0 0 "[ . 1 .]" 4
35 2 5 ALA O 2 9 LEU H 2.150 . 2.500 2.051 1.811 2.206 . 0 0 "[ . 1 .]" 4
36 2 5 ALA O 2 9 LEU N 2.900 2.500 3.300 2.988 2.750 3.130 . 0 0 "[ . 1 .]" 4
37 2 6 ALA O 2 10 ILE H 2.150 . 2.500 2.075 1.939 2.198 . 0 0 "[ . 1 .]" 4
38 2 6 ALA O 2 10 ILE N 2.900 2.500 3.300 3.030 2.891 3.157 . 0 0 "[ . 1 .]" 4
39 2 7 LYS O 2 11 GLU H 2.150 . 2.500 1.905 1.815 2.045 . 0 0 "[ . 1 .]" 4
40 2 7 LYS O 2 11 GLU N 2.900 2.500 3.300 2.852 2.762 2.973 . 0 0 "[ . 1 .]" 4
41 2 8 HIS O 2 12 ARG H 2.150 . 2.500 1.915 1.806 2.068 . 0 0 "[ . 1 .]" 4
42 2 8 HIS O 2 12 ARG N 2.900 2.500 3.300 2.840 2.751 2.978 . 0 0 "[ . 1 .]" 4
43 2 9 LEU O 2 13 TYR H 2.150 . 2.500 2.024 1.815 2.178 . 0 0 "[ . 1 .]" 4
44 2 9 LEU O 2 13 TYR N 2.900 2.500 3.300 2.955 2.747 3.097 . 0 0 "[ . 1 .]" 4
45 2 10 ILE O 2 14 TYR H 2.150 . 2.500 2.001 1.951 2.069 . 0 0 "[ . 1 .]" 4
46 2 10 ILE O 2 14 TYR N 2.900 2.500 3.300 2.937 2.890 3.011 . 0 0 "[ . 1 .]" 4
47 2 11 GLU O 2 15 HIS H 2.150 . 2.500 1.972 1.805 2.121 . 0 0 "[ . 1 .]" 4
48 2 11 GLU O 2 15 HIS N 2.900 2.500 3.300 2.940 2.767 3.087 . 0 0 "[ . 1 .]" 4
49 2 12 ARG O 2 16 GLN H 2.150 . 2.500 1.923 1.803 2.070 . 0 0 "[ . 1 .]" 4
50 2 12 ARG O 2 16 GLN N 2.900 2.500 3.300 2.834 2.688 2.988 . 0 0 "[ . 1 .]" 4
51 2 13 TYR O 2 17 LEU H 2.150 . 2.500 1.958 1.801 2.096 . 0 0 "[ . 1 .]" 4
52 2 13 TYR O 2 17 LEU N 2.900 2.500 3.300 2.869 2.726 3.003 . 0 0 "[ . 1 .]" 4
53 2 14 TYR O 2 18 THR H 2.150 . 2.500 2.027 1.837 2.230 . 0 0 "[ . 1 .]" 4
54 2 14 TYR O 2 18 THR N 2.900 2.500 3.300 2.950 2.784 3.143 . 0 0 "[ . 1 .]" 4
55 2 42 ASN O 2 46 ALA H 2.150 . 2.500 2.050 1.875 2.298 . 0 0 "[ . 1 .]" 4
56 2 42 ASN O 2 46 ALA N 2.900 2.500 3.300 2.930 2.765 3.165 . 0 0 "[ . 1 .]" 4
57 2 43 ASN O 2 47 ILE H 2.150 . 2.500 2.318 2.241 2.377 . 0 0 "[ . 1 .]" 4
58 2 43 ASN O 2 47 ILE N 2.900 2.500 3.300 3.226 3.150 3.285 . 0 0 "[ . 1 .]" 4
59 2 44 ALA O 2 48 LYS H 2.150 . 2.500 2.180 2.069 2.314 . 0 0 "[ . 1 .]" 4
60 2 44 ALA O 2 48 LYS N 2.900 2.500 3.300 3.133 3.029 3.267 . 0 0 "[ . 1 .]" 4
61 2 45 ALA O 2 49 ALA H 2.150 . 2.500 1.892 1.801 1.998 . 0 0 "[ . 1 .]" 4
62 2 45 ALA O 2 49 ALA N 2.900 2.500 3.300 2.813 2.718 2.911 . 0 0 "[ . 1 .]" 4
63 2 46 ALA O 2 50 LEU H 2.150 . 2.500 2.039 1.919 2.116 . 0 0 "[ . 1 .]" 4
64 2 46 ALA O 2 50 LEU N 2.900 2.500 3.300 2.955 2.846 3.034 . 0 0 "[ . 1 .]" 4
65 2 47 ILE O 2 51 GLU H 2.150 . 2.500 2.095 2.009 2.188 . 0 0 "[ . 1 .]" 4
66 2 47 ILE O 2 51 GLU N 2.900 2.500 3.300 3.043 2.957 3.123 . 0 0 "[ . 1 .]" 4
67 2 48 LYS O 2 52 LEU H 2.150 . 2.500 1.935 1.798 2.068 0.002 10 0 "[ . 1 .]" 4
68 2 48 LYS O 2 52 LEU N 2.900 2.500 3.300 2.857 2.708 2.981 . 0 0 "[ . 1 .]" 4
69 2 49 ALA O 2 53 TYR H 2.150 . 2.500 2.134 1.965 2.237 . 0 0 "[ . 1 .]" 4
70 2 49 ALA O 2 53 TYR N 2.900 2.500 3.300 3.044 2.887 3.150 . 0 0 "[ . 1 .]" 4
71 2 50 LEU O 2 54 LYS H 2.150 . 2.500 2.218 2.068 2.341 . 0 0 "[ . 1 .]" 4
72 2 50 LEU O 2 54 LYS N 2.900 2.500 3.300 3.154 3.028 3.268 . 0 0 "[ . 1 .]" 4
73 2 51 GLU O 2 55 ILE H 2.150 . 2.500 2.128 1.862 2.301 . 0 0 "[ . 1 .]" 4
74 2 51 GLU O 2 55 ILE N 2.900 2.500 3.300 3.071 2.829 3.244 . 0 0 "[ . 1 .]" 4
stop_
save_
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