Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
570531 | 2lp7 RC | 18237 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lp7
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 575
_Distance_constraint_stats_list.Viol_count 1378
_Distance_constraint_stats_list.Viol_total 2339.493
_Distance_constraint_stats_list.Viol_max 0.782
_Distance_constraint_stats_list.Viol_rms 0.0872
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0336
_Distance_constraint_stats_list.Viol_average_violations_only 0.1543
_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 3 ILE 0.483 0.312 1 0 "[ . 1 ]"
1 5 GLU 0.596 0.145 9 0 "[ . 1 ]"
1 6 ALA 0.001 0.001 2 0 "[ . 1 ]"
1 8 ARG 0.414 0.103 10 0 "[ . 1 ]"
1 9 ASP 6.278 0.735 10 7 "[ * -*** +*]"
1 10 GLY 0.180 0.066 9 0 "[ . 1 ]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 12 ALA 1.388 0.367 4 0 "[ . 1 ]"
1 13 TYR 0.199 0.188 9 0 "[ . 1 ]"
1 14 VAL 3.634 0.250 4 0 "[ . 1 ]"
1 15 ARG 1.821 0.344 3 0 "[ . 1 ]"
1 16 LYS 0.520 0.084 1 0 "[ . 1 ]"
1 17 ASP 6.543 0.782 2 10 [*+*****-*1*]
1 18 GLY 0.010 0.010 4 0 "[ . 1 ]"
1 19 GLU 0.322 0.089 8 0 "[ . 1 ]"
1 20 TRP 1.560 0.250 4 0 "[ . 1 ]"
1 21 VAL 1.650 0.178 8 0 "[ . 1 ]"
1 22 LEU 2.464 0.208 10 0 "[ . 1 ]"
1 23 LEU 2.001 0.178 8 0 "[ . 1 ]"
1 24 SER 5.625 0.367 4 0 "[ . 1 ]"
1 25 THR 0.004 0.004 7 0 "[ . 1 ]"
1 26 PHE 1.386 0.310 10 0 "[ . 1 ]"
1 27 LEU 3.846 0.327 3 0 "[ . 1 ]"
1 28 GLY 0.439 0.159 7 0 "[ . 1 ]"
1 29 SER 1.806 0.310 10 0 "[ . 1 ]"
1 30 SER 0.309 0.081 11 0 "[ . 1 ]"
1 31 GLY 3.937 0.453 9 0 "[ . 1 ]"
1 32 ASN 5.122 0.494 7 0 "[ . 1 ]"
1 33 GLU 4.906 0.381 7 0 "[ . 1 ]"
1 34 GLN 5.618 0.494 7 0 "[ . 1 ]"
1 35 GLU 4.296 0.385 9 0 "[ . 1 ]"
1 36 LEU 1.455 0.177 10 0 "[ . 1 ]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 38 GLU 8.669 0.385 9 0 "[ . 1 ]"
1 39 LEU 0.669 0.138 5 0 "[ . 1 ]"
1 40 ASP 3.629 0.381 7 0 "[ . 1 ]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 42 TRP 4.747 0.376 9 0 "[ . 1 ]"
1 43 ALA 5.361 0.408 7 0 "[ . 1 ]"
1 44 SER 0.238 0.052 7 0 "[ . 1 ]"
1 45 LEU 2.307 0.266 7 0 "[ . 1 ]"
1 46 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 47 ASN 5.163 0.408 7 0 "[ . 1 ]"
1 48 TRP 5.162 0.230 10 0 "[ . 1 ]"
1 49 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 50 ASN 6.192 0.369 4 0 "[ . 1 ]"
1 51 ILE 1.320 0.158 5 0 "[ . 1 ]"
1 52 THR 0.762 0.117 5 0 "[ . 1 ]"
1 53 ASN 3.417 0.369 4 0 "[ . 1 ]"
1 54 TRP 3.443 0.291 5 0 "[ . 1 ]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 56 TRP 5.709 0.291 5 0 "[ . 1 ]"
1 57 TYR 0.000 0.000 . 0 "[ . 1 ]"
1 58 ILE 1.410 0.187 7 0 "[ . 1 ]"
1 59 LYS 1.924 0.218 1 0 "[ . 1 ]"
2 3 ILE 0.327 0.145 9 0 "[ . 1 ]"
2 5 GLU 0.776 0.218 7 0 "[ . 1 ]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 8 ARG 0.327 0.052 4 0 "[ . 1 ]"
2 9 ASP 7.407 0.749 1 11 [+*-********]
2 10 GLY 0.327 0.052 4 0 "[ . 1 ]"
2 11 GLN 0.000 0.000 . 0 "[ . 1 ]"
2 12 ALA 2.059 0.333 10 0 "[ . 1 ]"
2 13 TYR 2.457 0.263 10 0 "[ . 1 ]"
2 14 VAL 3.279 0.391 10 0 "[ . 1 ]"
2 15 ARG 0.564 0.188 9 0 "[ . 1 ]"
2 16 LYS 0.069 0.044 5 0 "[ . 1 ]"
2 17 ASP 6.278 0.735 10 7 "[ * -*** +*]"
2 18 GLY 0.234 0.103 10 0 "[ . 1 ]"
2 19 GLU 1.352 0.191 10 0 "[ . 1 ]"
2 20 TRP 1.805 0.218 7 0 "[ . 1 ]"
2 21 VAL 3.656 0.263 10 0 "[ . 1 ]"
2 22 LEU 2.156 0.391 10 0 "[ . 1 ]"
2 23 LEU 1.151 0.185 1 0 "[ . 1 ]"
2 24 SER 6.321 0.379 10 0 "[ . 1 ]"
2 25 THR 0.004 0.004 7 0 "[ . 1 ]"
2 26 PHE 1.132 0.304 7 0 "[ . 1 ]"
2 27 LEU 4.737 0.379 10 0 "[ . 1 ]"
2 28 GLY 0.464 0.304 7 0 "[ . 1 ]"
2 29 SER 1.793 0.275 1 0 "[ . 1 ]"
2 30 SER 0.675 0.177 1 0 "[ . 1 ]"
2 31 GLY 3.830 0.402 7 0 "[ . 1 ]"
2 32 ASN 4.626 0.470 5 0 "[ . 1 ]"
2 33 GLU 4.869 0.386 5 0 "[ . 1 ]"
2 34 GLN 5.594 0.470 5 0 "[ . 1 ]"
2 35 GLU 3.996 0.340 8 0 "[ . 1 ]"
2 36 LEU 1.583 0.192 7 0 "[ . 1 ]"
2 37 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 38 GLU 8.357 0.387 2 0 "[ . 1 ]"
2 39 LEU 0.560 0.146 5 0 "[ . 1 ]"
2 40 ASP 3.400 0.387 2 0 "[ . 1 ]"
2 41 LYS 0.000 0.000 . 0 "[ . 1 ]"
2 42 TRP 4.583 0.362 4 0 "[ . 1 ]"
2 43 ALA 6.202 0.447 5 0 "[ . 1 ]"
2 44 SER 0.940 0.196 4 0 "[ . 1 ]"
2 45 LEU 2.891 0.314 1 0 "[ . 1 ]"
2 46 TRP 0.000 0.000 . 0 "[ . 1 ]"
2 47 ASN 6.291 0.447 5 0 "[ . 1 ]"
2 48 TRP 8.506 0.445 4 0 "[ . 1 ]"
2 49 PHE 2.089 0.435 5 0 "[ . 1 ]"
2 50 ASN 5.976 0.366 10 0 "[ . 1 ]"
2 51 ILE 3.366 0.445 4 0 "[ . 1 ]"
2 52 THR 0.753 0.102 7 0 "[ . 1 ]"
2 53 ASN 2.328 0.366 10 0 "[ . 1 ]"
2 54 TRP 3.816 0.281 11 0 "[ . 1 ]"
2 55 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 56 TRP 5.375 0.273 7 0 "[ . 1 ]"
2 57 TYR 0.000 0.000 . 0 "[ . 1 ]"
2 58 ILE 1.652 0.247 7 0 "[ . 1 ]"
2 59 LYS 1.745 0.190 3 0 "[ . 1 ]"
3 3 ILE 0.235 0.091 7 0 "[ . 1 ]"
3 5 GLU 0.686 0.312 1 0 "[ . 1 ]"
3 6 ALA 0.023 0.023 4 0 "[ . 1 ]"
3 8 ARG 0.249 0.058 2 0 "[ . 1 ]"
3 9 ASP 6.543 0.782 2 10 [*+*****-*1*]
3 10 GLY 0.239 0.058 2 0 "[ . 1 ]"
3 11 GLN 0.000 0.000 . 0 "[ . 1 ]"
3 12 ALA 2.399 0.418 6 0 "[ . 1 ]"
3 13 TYR 2.321 0.265 3 0 "[ . 1 ]"
3 14 VAL 3.886 0.344 3 0 "[ . 1 ]"
3 15 ARG 1.151 0.229 11 0 "[ . 1 ]"
3 16 LYS 0.131 0.033 8 0 "[ . 1 ]"
3 17 ASP 7.407 0.749 1 11 [+*-********]
3 18 GLY 0.000 0.000 . 0 "[ . 1 ]"
3 19 GLU 1.613 0.253 3 0 "[ . 1 ]"
3 20 TRP 1.542 0.165 11 0 "[ . 1 ]"
3 21 VAL 4.356 0.265 3 0 "[ . 1 ]"
3 22 LEU 2.565 0.185 2 0 "[ . 1 ]"
3 23 LEU 2.006 0.226 5 0 "[ . 1 ]"
3 24 SER 7.589 0.418 6 0 "[ . 1 ]"
3 25 THR 0.000 0.000 . 0 "[ . 1 ]"
3 26 PHE 0.937 0.161 7 0 "[ . 1 ]"
3 27 LEU 4.857 0.366 10 0 "[ . 1 ]"
3 28 GLY 0.641 0.172 2 0 "[ . 1 ]"
3 29 SER 1.716 0.311 2 0 "[ . 1 ]"
3 30 SER 1.111 0.404 2 0 "[ . 1 ]"
3 31 GLY 4.141 0.482 1 0 "[ . 1 ]"
3 32 ASN 5.527 0.484 2 0 "[ . 1 ]"
3 33 GLU 5.538 0.484 2 0 "[ . 1 ]"
3 34 GLN 6.076 0.482 1 0 "[ . 1 ]"
3 35 GLU 4.674 0.438 9 0 "[ . 1 ]"
3 36 LEU 1.325 0.154 10 0 "[ . 1 ]"
3 37 LEU 0.000 0.000 . 0 "[ . 1 ]"
3 38 GLU 8.647 0.438 9 0 "[ . 1 ]"
3 39 LEU 0.512 0.183 7 0 "[ . 1 ]"
3 40 ASP 3.407 0.416 9 0 "[ . 1 ]"
3 41 LYS 0.000 0.000 . 0 "[ . 1 ]"
3 42 TRP 5.102 0.394 9 0 "[ . 1 ]"
3 43 ALA 5.818 0.367 2 0 "[ . 1 ]"
3 44 SER 0.411 0.177 7 0 "[ . 1 ]"
3 45 LEU 2.305 0.251 8 0 "[ . 1 ]"
3 46 TRP 0.000 0.000 . 0 "[ . 1 ]"
3 47 ASN 5.261 0.367 2 0 "[ . 1 ]"
3 48 TRP 6.416 0.433 7 0 "[ . 1 ]"
3 49 PHE 0.806 0.418 2 0 "[ . 1 ]"
3 50 ASN 5.983 0.358 10 0 "[ . 1 ]"
3 51 ILE 2.132 0.433 7 0 "[ . 1 ]"
3 52 THR 0.845 0.117 4 0 "[ . 1 ]"
3 53 ASN 3.067 0.358 10 0 "[ . 1 ]"
3 54 TRP 3.999 0.315 9 0 "[ . 1 ]"
3 55 LEU 0.000 0.000 . 0 "[ . 1 ]"
3 56 TRP 6.522 0.315 9 0 "[ . 1 ]"
3 57 TYR 0.000 0.000 . 0 "[ . 1 ]"
3 58 ILE 1.599 0.219 4 0 "[ . 1 ]"
3 59 LYS 1.704 0.198 4 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 3 ILE MD 3 5 GLU H 4.500 . 4.500 4.079 2.599 4.812 0.312 1 0 "[ . 1 ]" 1
2 1 5 GLU H 1 6 ALA H 5.500 . 5.500 3.783 1.936 4.585 . 0 0 "[ . 1 ]" 1
3 1 5 GLU H 1 20 TRP HE1 4.500 . 4.500 4.174 3.063 4.588 0.088 11 0 "[ . 1 ]" 1
4 1 5 GLU H 2 3 ILE MD 4.500 . 4.500 4.096 2.823 4.645 0.145 9 0 "[ . 1 ]" 1
5 1 6 ALA H 1 20 TRP HE1 5.500 . 5.500 4.502 2.608 5.501 0.001 2 0 "[ . 1 ]" 1
6 1 8 ARG H 1 9 ASP H 4.500 . 4.500 3.914 3.565 4.409 . 0 0 "[ . 1 ]" 1
7 1 8 ARG H 1 10 GLY H 5.500 . 5.500 5.488 5.281 5.566 0.066 9 0 "[ . 1 ]" 1
8 1 8 ARG QD 2 18 GLY H 4.500 . 4.500 3.884 2.981 4.603 0.103 10 0 "[ . 1 ]" 1
9 1 9 ASP H 1 10 GLY H 4.500 . 4.500 1.951 1.764 2.329 . 0 0 "[ . 1 ]" 1
10 1 9 ASP H 1 11 GLN H 4.500 . 4.500 2.803 2.688 2.879 . 0 0 "[ . 1 ]" 1
11 1 9 ASP H 2 17 ASP H 3.500 . 3.500 4.071 3.826 4.235 0.735 10 7 "[ * -*** +*]" 1
12 1 10 GLY H 1 11 GLN H 4.500 . 4.500 2.460 2.388 2.529 . 0 0 "[ . 1 ]" 1
13 1 10 GLY H 2 17 ASP H 4.500 . 4.500 3.489 3.228 3.774 . 0 0 "[ . 1 ]" 1
14 1 11 GLN H 1 12 ALA H 6.500 . 6.500 4.531 4.501 4.547 . 0 0 "[ . 1 ]" 1
15 1 12 ALA H 1 13 TYR H 5.500 . 5.500 4.438 4.403 4.447 . 0 0 "[ . 1 ]" 1
16 1 12 ALA H 1 22 LEU MD2 4.500 . 4.500 2.977 2.779 3.259 . 0 0 "[ . 1 ]" 1
17 1 12 ALA H 1 23 LEU H 5.500 . 5.500 5.054 4.748 5.441 . 0 0 "[ . 1 ]" 1
18 1 12 ALA H 1 24 SER H 5.500 . 5.500 5.604 5.362 5.867 0.367 4 0 "[ . 1 ]" 1
19 1 13 TYR H 1 14 VAL H 4.500 . 4.500 4.426 4.413 4.443 . 0 0 "[ . 1 ]" 1
20 1 13 TYR H 1 23 LEU H 5.500 . 5.500 4.667 4.429 4.950 . 0 0 "[ . 1 ]" 1
21 1 13 TYR H 2 14 VAL MG2 4.500 . 4.500 2.631 2.472 2.793 . 0 0 "[ . 1 ]" 1
22 1 13 TYR H 2 15 ARG H 3.500 . 3.500 3.429 3.278 3.688 0.188 9 0 "[ . 1 ]" 1
23 1 14 VAL H 1 15 ARG H 4.500 . 4.500 4.500 4.482 4.528 0.028 3 0 "[ . 1 ]" 1
24 1 14 VAL H 1 16 LYS H 5.500 . 5.500 5.547 5.503 5.584 0.084 1 0 "[ . 1 ]" 1
25 1 14 VAL H 1 20 TRP H 6.500 . 6.500 6.617 6.552 6.750 0.250 4 0 "[ . 1 ]" 1
26 1 14 VAL H 1 21 VAL H 3.000 . 3.000 2.620 2.463 2.776 . 0 0 "[ . 1 ]" 1
27 1 14 VAL H 1 22 LEU H 4.500 . 4.500 4.618 4.575 4.674 0.174 11 0 "[ . 1 ]" 1
28 1 14 VAL H 1 23 LEU H 4.500 . 4.500 3.580 3.374 3.886 . 0 0 "[ . 1 ]" 1
29 1 14 VAL H 2 14 VAL MG2 4.500 . 4.500 4.104 3.908 4.367 . 0 0 "[ . 1 ]" 1
30 1 14 VAL H 2 15 ARG H 5.500 . 5.500 5.469 5.264 5.613 0.113 3 0 "[ . 1 ]" 1
31 1 14 VAL MG2 3 13 TYR H 4.500 . 4.500 2.731 2.475 2.888 . 0 0 "[ . 1 ]" 1
32 1 14 VAL MG2 3 14 VAL H 4.500 . 4.500 4.215 4.094 4.538 0.038 3 0 "[ . 1 ]" 1
33 1 14 VAL MG2 3 23 LEU H 4.500 . 4.500 4.248 4.032 4.554 0.054 3 0 "[ . 1 ]" 1
34 1 15 ARG H 1 16 LYS H 5.500 . 5.500 4.292 4.273 4.306 . 0 0 "[ . 1 ]" 1
35 1 15 ARG H 1 21 VAL H 5.500 . 5.500 5.249 5.154 5.438 . 0 0 "[ . 1 ]" 1
36 1 15 ARG H 3 13 TYR H 3.500 . 3.500 3.503 3.380 3.635 0.135 9 0 "[ . 1 ]" 1
37 1 15 ARG H 3 14 VAL H 5.500 . 5.500 5.623 5.535 5.844 0.344 3 0 "[ . 1 ]" 1
38 1 16 LYS H 1 17 ASP H 6.500 . 6.500 4.248 4.226 4.264 . 0 0 "[ . 1 ]" 1
39 1 16 LYS H 1 18 GLY H 4.500 . 4.500 4.003 3.899 4.085 . 0 0 "[ . 1 ]" 1
40 1 16 LYS H 1 19 GLU H 3.000 . 3.000 2.635 2.595 2.670 . 0 0 "[ . 1 ]" 1
41 1 16 LYS H 1 20 TRP H 5.500 . 5.500 5.184 5.057 5.326 . 0 0 "[ . 1 ]" 1
42 1 16 LYS H 1 21 VAL H 4.500 . 4.500 4.014 3.814 4.191 . 0 0 "[ . 1 ]" 1
43 1 17 ASP H 1 18 GLY H 5.500 . 5.500 3.039 3.001 3.060 . 0 0 "[ . 1 ]" 1
44 1 17 ASP H 1 19 GLU H 6.500 . 6.500 4.317 4.258 4.379 . 0 0 "[ . 1 ]" 1
45 1 17 ASP H 3 9 ASP H 3.500 . 3.500 4.095 3.709 4.282 0.782 2 10 [*+*****-*1*] 1
46 1 17 ASP H 3 10 GLY H 4.500 . 4.500 3.673 3.403 4.103 . 0 0 "[ . 1 ]" 1
47 1 18 GLY H 1 19 GLU H 4.500 . 4.500 2.783 2.765 2.821 . 0 0 "[ . 1 ]" 1
48 1 18 GLY H 3 8 ARG QD 4.500 . 4.500 3.990 3.269 4.510 0.010 4 0 "[ . 1 ]" 1
49 1 19 GLU H 1 20 TRP H 4.500 . 4.500 4.401 4.386 4.420 . 0 0 "[ . 1 ]" 1
50 1 19 GLU H 1 21 VAL H 5.500 . 5.500 5.498 5.355 5.589 0.089 8 0 "[ . 1 ]" 1
51 1 20 TRP H 1 20 TRP HE1 5.500 . 5.500 4.202 3.716 4.811 . 0 0 "[ . 1 ]" 1
52 1 20 TRP H 1 21 VAL H 4.500 . 4.500 4.303 4.243 4.405 . 0 0 "[ . 1 ]" 1
53 1 21 VAL H 1 22 LEU H 4.500 . 4.500 4.302 4.156 4.388 . 0 0 "[ . 1 ]" 1
54 1 21 VAL H 1 23 LEU H 5.500 . 5.500 5.621 5.583 5.678 0.178 8 0 "[ . 1 ]" 1
55 1 22 LEU H 1 23 LEU H 4.500 . 4.500 4.416 4.373 4.440 . 0 0 "[ . 1 ]" 1
56 1 22 LEU H 1 24 SER H 5.500 . 5.500 5.605 5.488 5.708 0.208 10 0 "[ . 1 ]" 1
57 1 22 LEU H 1 25 THR H 5.500 . 5.500 5.113 4.971 5.306 . 0 0 "[ . 1 ]" 1
58 1 23 LEU H 1 24 SER H 4.500 . 4.500 2.782 2.740 2.832 . 0 0 "[ . 1 ]" 1
59 1 23 LEU H 1 25 THR H 4.500 . 4.500 4.368 4.234 4.504 0.004 7 0 "[ . 1 ]" 1
60 1 23 LEU H 1 26 PHE H 6.500 . 6.500 5.330 5.211 5.424 . 0 0 "[ . 1 ]" 1
61 1 23 LEU H 1 27 LEU H 6.500 . 6.500 6.524 6.252 6.638 0.138 3 0 "[ . 1 ]" 1
62 1 23 LEU H 2 14 VAL MG2 4.500 . 4.500 4.188 4.079 4.318 . 0 0 "[ . 1 ]" 1
63 1 24 SER H 1 25 THR H 4.500 . 4.500 2.891 2.746 2.974 . 0 0 "[ . 1 ]" 1
64 1 24 SER H 1 26 PHE H 5.500 . 5.500 4.246 4.201 4.302 . 0 0 "[ . 1 ]" 1
65 1 24 SER H 1 27 LEU H 4.500 . 4.500 4.753 4.602 4.827 0.327 3 0 "[ . 1 ]" 1
66 1 24 SER H 1 28 GLY H 6.500 . 6.500 6.411 6.060 6.659 0.159 7 0 "[ . 1 ]" 1
67 1 25 THR H 1 26 PHE H 4.500 . 4.500 2.495 2.477 2.535 . 0 0 "[ . 1 ]" 1
68 1 25 THR H 1 27 LEU H 4.500 . 4.500 3.862 3.778 3.936 . 0 0 "[ . 1 ]" 1
69 1 25 THR H 1 28 GLY H 5.500 . 5.500 5.127 4.912 5.354 . 0 0 "[ . 1 ]" 1
70 1 25 THR HA 1 28 GLY H 4.500 . 4.500 3.946 3.662 4.283 . 0 0 "[ . 1 ]" 1
71 1 26 PHE H 1 27 LEU H 3.000 . 3.000 2.275 2.159 2.371 . 0 0 "[ . 1 ]" 1
72 1 26 PHE H 1 28 GLY H 4.500 . 4.500 4.145 3.781 4.656 0.156 4 0 "[ . 1 ]" 1
73 1 26 PHE H 1 29 SER H 6.500 . 6.500 6.248 5.455 6.810 0.310 10 0 "[ . 1 ]" 1
74 1 26 PHE H 3 27 LEU MD2 5.500 . 5.500 5.312 4.712 5.678 0.178 11 0 "[ . 1 ]" 1
75 1 27 LEU H 1 28 GLY H 4.500 . 4.500 2.531 2.380 2.833 . 0 0 "[ . 1 ]" 1
76 1 27 LEU H 1 29 SER H 5.500 . 5.500 4.574 3.903 5.555 0.055 6 0 "[ . 1 ]" 1
77 1 27 LEU H 3 27 LEU QD 5.500 . 5.500 4.009 3.645 4.261 . 0 0 "[ . 1 ]" 1
78 1 27 LEU HA 1 28 GLY H 4.500 . 4.500 3.503 3.298 3.569 . 0 0 "[ . 1 ]" 1
79 1 27 LEU QB 1 28 GLY H 4.500 . 4.500 2.670 2.212 3.295 . 0 0 "[ . 1 ]" 1
80 1 27 LEU QB 1 29 SER H . . 4.500 3.089 1.947 4.510 0.010 6 0 "[ . 1 ]" 1
81 1 27 LEU QD 2 27 LEU H 5.500 . 5.500 3.877 3.522 4.155 . 0 0 "[ . 1 ]" 1
82 1 27 LEU MD2 2 26 PHE H 5.500 . 5.500 5.200 4.608 5.630 0.130 10 0 "[ . 1 ]" 1
83 1 27 LEU MD2 2 28 GLY H 6.500 . 6.500 5.050 4.784 5.443 . 0 0 "[ . 1 ]" 1
84 1 28 GLY H 1 29 SER H 4.500 . 4.500 2.599 2.182 3.624 . 0 0 "[ . 1 ]" 1
85 1 28 GLY H 3 27 LEU MD2 6.500 . 6.500 5.025 4.570 5.657 . 0 0 "[ . 1 ]" 1
86 1 29 SER H 1 30 SER H 4.500 . 4.500 4.294 3.605 4.581 0.081 11 0 "[ . 1 ]" 1
87 1 29 SER H 1 31 GLY H 5.500 . 5.500 4.601 3.928 5.041 . 0 0 "[ . 1 ]" 1
88 1 29 SER HA 1 32 ASN H 4.500 . 4.500 4.302 3.617 4.679 0.179 4 0 "[ . 1 ]" 1
89 1 30 SER H 1 31 GLY H 4.500 . 4.500 2.836 1.452 3.737 . 0 0 "[ . 1 ]" 1
90 1 30 SER H 1 32 ASN H 5.500 . 5.500 4.204 3.219 5.510 0.010 9 0 "[ . 1 ]" 1
91 1 30 SER H 1 33 GLU H 6.500 . 6.500 3.443 2.688 3.843 . 0 0 "[ . 1 ]" 1
92 1 30 SER H 1 34 GLN H 5.500 . 5.500 5.300 4.703 5.530 0.030 10 0 "[ . 1 ]" 1
93 1 30 SER HA 1 33 GLU H 4.500 . 4.500 4.144 3.274 4.490 . 0 0 "[ . 1 ]" 1
94 1 31 GLY H 1 32 ASN H 4.500 . 4.500 2.583 1.494 3.395 . 0 0 "[ . 1 ]" 1
95 1 31 GLY H 1 32 ASN QB 5.500 . 5.500 4.404 3.490 5.132 . 0 0 "[ . 1 ]" 1
96 1 31 GLY H 1 33 GLU H 4.500 . 4.500 3.197 2.452 3.837 . 0 0 "[ . 1 ]" 1
97 1 31 GLY H 1 33 GLU QB 5.500 . 5.500 3.837 3.415 4.676 . 0 0 "[ . 1 ]" 1
98 1 31 GLY H 1 33 GLU QG 5.500 . 5.500 4.692 3.281 5.529 0.029 7 0 "[ . 1 ]" 1
99 1 31 GLY H 1 34 GLN H 5.500 . 5.500 5.141 4.054 5.712 0.212 6 0 "[ . 1 ]" 1
100 1 31 GLY H 1 36 LEU QD 6.500 . 6.500 5.566 4.804 6.490 . 0 0 "[ . 1 ]" 1
101 1 31 GLY QA 1 32 ASN H . . 3.000 2.586 2.185 2.927 . 0 0 "[ . 1 ]" 1
102 1 31 GLY QA 1 33 GLU H 4.500 . 4.500 3.753 3.355 4.188 . 0 0 "[ . 1 ]" 1
103 1 31 GLY QA 1 34 GLN H 4.500 . 4.500 4.763 4.250 4.953 0.453 9 0 "[ . 1 ]" 1
104 1 32 ASN H 1 33 GLU H 4.500 . 4.500 2.106 1.418 3.018 . 0 0 "[ . 1 ]" 1
105 1 32 ASN H 1 33 GLU HA 4.500 . 4.500 4.498 4.153 4.881 0.381 7 0 "[ . 1 ]" 1
106 1 32 ASN H 1 34 GLN H 4.500 . 4.500 3.809 3.020 4.654 0.154 9 0 "[ . 1 ]" 1
107 1 32 ASN H 1 35 GLU H 5.500 . 5.500 5.360 5.123 5.644 0.144 9 0 "[ . 1 ]" 1
108 1 32 ASN H 1 36 LEU QD 6.500 . 6.500 4.702 4.434 5.247 . 0 0 "[ . 1 ]" 1
109 1 32 ASN HA 1 34 GLN H 4.500 . 4.500 3.214 2.921 4.149 . 0 0 "[ . 1 ]" 1
110 1 32 ASN HA 1 35 GLU H 4.500 . 4.500 3.389 3.093 3.563 . 0 0 "[ . 1 ]" 1
111 1 32 ASN QB 1 33 GLU H 3.500 . 3.500 3.376 3.092 3.751 0.251 9 0 "[ . 1 ]" 1
112 1 32 ASN QB 1 34 GLN H 4.500 . 4.500 4.326 4.144 4.994 0.494 7 0 "[ . 1 ]" 1
113 1 32 ASN QB 1 35 GLU H 4.500 . 4.500 4.074 3.302 4.645 0.145 10 0 "[ . 1 ]" 1
114 1 33 GLU H 1 33 GLU HA 3.000 . 3.000 2.823 2.815 2.835 . 0 0 "[ . 1 ]" 1
115 1 33 GLU H 1 34 GLN H 3.000 . 3.000 2.344 2.214 2.559 . 0 0 "[ . 1 ]" 1
116 1 33 GLU H 1 35 GLU H 4.500 . 4.500 4.494 3.743 4.722 0.222 4 0 "[ . 1 ]" 1
117 1 33 GLU H 1 36 LEU MD1 4.500 . 4.500 4.050 3.891 4.636 0.136 7 0 "[ . 1 ]" 1
118 1 33 GLU H 1 36 LEU HG 4.500 . 4.500 4.572 4.462 4.677 0.177 10 0 "[ . 1 ]" 1
119 1 34 GLN H 1 34 GLN HA 3.000 . 3.000 2.844 2.812 2.867 . 0 0 "[ . 1 ]" 1
120 1 34 GLN H 1 35 GLU H 3.000 . 3.000 2.829 2.696 2.864 . 0 0 "[ . 1 ]" 1
121 1 34 GLN H 1 36 LEU H 4.500 . 4.500 3.821 3.695 4.538 0.038 7 0 "[ . 1 ]" 1
122 1 34 GLN H 1 36 LEU QD 6.500 . 6.500 4.595 4.510 4.799 . 0 0 "[ . 1 ]" 1
123 1 34 GLN H 1 36 LEU HG 4.500 . 4.500 4.532 4.444 4.615 0.115 7 0 "[ . 1 ]" 1
124 1 35 GLU H 1 36 LEU H 3.000 . 3.000 2.532 2.419 2.634 . 0 0 "[ . 1 ]" 1
125 1 35 GLU H 1 37 LEU H 4.500 . 4.500 4.109 3.849 4.398 . 0 0 "[ . 1 ]" 1
126 1 35 GLU H 1 38 GLU H 4.500 . 4.500 4.715 4.583 4.885 0.385 9 0 "[ . 1 ]" 1
127 1 36 LEU H 1 37 LEU H 3.000 . 3.000 2.553 2.417 2.856 . 0 0 "[ . 1 ]" 1
128 1 36 LEU H 1 38 GLU H 4.500 . 4.500 3.842 3.662 4.043 . 0 0 "[ . 1 ]" 1
129 1 38 GLU H 1 39 LEU H 3.000 . 3.000 2.657 2.623 2.706 . 0 0 "[ . 1 ]" 1
130 1 38 GLU H 1 40 ASP H 4.500 . 4.500 4.173 4.019 4.315 . 0 0 "[ . 1 ]" 1
131 1 38 GLU H 1 40 ASP QB . . 4.500 4.799 4.708 4.881 0.381 7 0 "[ . 1 ]" 1
132 1 38 GLU H 1 42 TRP HE1 4.750 . 4.750 4.992 4.917 5.126 0.376 9 0 "[ . 1 ]" 1
133 1 38 GLU H 3 39 LEU MD2 6.500 . 6.500 6.255 5.332 6.683 0.183 7 0 "[ . 1 ]" 1
134 1 39 LEU H 1 40 ASP H 4.500 . 4.500 2.875 2.727 2.964 . 0 0 "[ . 1 ]" 1
135 1 39 LEU H 1 40 ASP QB 4.500 . 4.500 4.483 4.358 4.523 0.023 11 0 "[ . 1 ]" 1
136 1 39 LEU H 1 41 LYS H 4.500 . 4.500 4.074 3.988 4.268 . 0 0 "[ . 1 ]" 1
137 1 39 LEU H 1 42 TRP H 6.500 . 6.500 4.760 4.600 5.423 . 0 0 "[ . 1 ]" 1
138 1 39 LEU H 1 42 TRP HE1 5.500 . 5.500 4.215 3.288 4.721 . 0 0 "[ . 1 ]" 1
139 1 39 LEU MD1 2 42 TRP HE1 6.500 . 6.500 6.238 5.468 6.638 0.138 5 0 "[ . 1 ]" 1
140 1 39 LEU MD2 2 38 GLU H 6.500 . 6.500 6.249 4.901 6.601 0.101 4 0 "[ . 1 ]" 1
141 1 39 LEU HG 1 40 ASP H 4.500 . 4.500 4.196 4.071 4.499 . 0 0 "[ . 1 ]" 1
142 1 40 ASP H 1 42 TRP H 4.500 . 4.500 4.362 4.181 4.602 0.102 7 0 "[ . 1 ]" 1
143 1 40 ASP H 1 43 ALA H 5.500 . 5.500 5.167 4.654 5.530 0.030 2 0 "[ . 1 ]" 1
144 1 40 ASP QB 1 43 ALA H 5.500 . 5.500 5.338 5.169 5.565 0.065 2 0 "[ . 1 ]" 1
145 1 41 LYS H 1 43 ALA H 5.500 . 5.500 4.009 3.705 4.212 . 0 0 "[ . 1 ]" 1
146 1 42 TRP H 1 42 TRP HE1 4.500 . 4.500 4.216 4.082 4.410 . 0 0 "[ . 1 ]" 1
147 1 42 TRP H 1 43 ALA H 3.000 . 3.000 2.741 2.661 2.811 . 0 0 "[ . 1 ]" 1
148 1 42 TRP H 1 44 SER H 4.500 . 4.500 4.186 4.064 4.271 . 0 0 "[ . 1 ]" 1
149 1 42 TRP H 1 45 LEU H 5.500 . 5.500 5.340 5.203 5.766 0.266 7 0 "[ . 1 ]" 1
150 1 42 TRP QB 1 43 ALA H 6.500 . 6.500 2.728 2.568 3.660 . 0 0 "[ . 1 ]" 1
151 1 42 TRP HE1 1 43 ALA H 6.500 . 6.500 6.489 4.777 6.738 0.238 9 0 "[ . 1 ]" 1
152 1 42 TRP HE1 3 39 LEU MD1 6.500 . 6.500 6.081 4.870 6.559 0.059 8 0 "[ . 1 ]" 1
153 1 43 ALA H 1 43 ALA MB 3.000 . 3.000 2.172 2.056 2.235 . 0 0 "[ . 1 ]" 1
154 1 43 ALA H 1 44 SER H 4.500 . 4.500 2.660 2.575 2.704 . 0 0 "[ . 1 ]" 1
155 1 43 ALA H 1 45 LEU H 4.500 . 4.500 4.522 4.449 4.582 0.082 5 0 "[ . 1 ]" 1
156 1 43 ALA H 1 46 TRP H 5.500 . 5.500 4.988 4.891 5.211 . 0 0 "[ . 1 ]" 1
157 1 43 ALA H 1 47 ASN H 5.500 . 5.500 5.800 5.715 5.908 0.408 7 0 "[ . 1 ]" 1
158 1 44 SER H 1 45 LEU H 4.500 . 4.500 2.867 2.755 2.910 . 0 0 "[ . 1 ]" 1
159 1 44 SER H 1 46 TRP H 4.500 . 4.500 4.311 4.286 4.346 . 0 0 "[ . 1 ]" 1
160 1 44 SER H 1 47 ASN H 4.500 . 4.500 4.522 4.504 4.552 0.052 7 0 "[ . 1 ]" 1
161 1 45 LEU H 1 46 TRP H 4.500 . 4.500 2.740 2.718 2.748 . 0 0 "[ . 1 ]" 1
162 1 45 LEU H 1 47 ASN H 4.500 . 4.500 3.988 3.954 4.033 . 0 0 "[ . 1 ]" 1
163 1 45 LEU QB 1 48 TRP HE1 4.500 . 4.500 4.657 4.615 4.719 0.219 6 0 "[ . 1 ]" 1
164 1 46 TRP H 1 47 ASN H 4.500 . 4.500 2.655 2.636 2.681 . 0 0 "[ . 1 ]" 1
165 1 47 ASN H 1 48 TRP H 4.500 . 4.500 2.638 2.601 2.660 . 0 0 "[ . 1 ]" 1
166 1 47 ASN H 1 50 ASN H 5.500 . 5.500 5.648 5.589 5.704 0.204 7 0 "[ . 1 ]" 1
167 1 48 TRP H 1 48 TRP HA 3.000 . 3.000 2.908 2.904 2.912 . 0 0 "[ . 1 ]" 1
168 1 48 TRP H 1 48 TRP HE1 5.500 . 5.500 5.692 5.670 5.730 0.230 10 0 "[ . 1 ]" 1
169 1 48 TRP H 1 49 PHE H 4.500 . 4.500 2.349 2.300 2.394 . 0 0 "[ . 1 ]" 1
170 1 48 TRP H 1 50 ASN H 4.500 . 4.500 4.134 3.954 4.206 . 0 0 "[ . 1 ]" 1
171 1 48 TRP HE1 1 49 PHE H 6.500 . 6.500 4.929 4.309 5.132 . 0 0 "[ . 1 ]" 1
172 1 48 TRP HE1 1 51 ILE QG 6.000 . 6.000 5.460 4.832 5.762 . 0 0 "[ . 1 ]" 1
173 1 48 TRP HE1 1 51 ILE MG 5.500 . 5.500 5.620 5.566 5.658 0.158 5 0 "[ . 1 ]" 1
174 1 49 PHE H 1 50 ASN H 4.500 . 4.500 2.629 2.533 2.843 . 0 0 "[ . 1 ]" 1
175 1 49 PHE H 1 51 ILE H 5.500 . 5.500 4.536 4.496 4.601 . 0 0 "[ . 1 ]" 1
176 1 50 ASN H 1 51 ILE H 4.500 . 4.500 2.462 2.416 2.486 . 0 0 "[ . 1 ]" 1
177 1 50 ASN H 1 52 THR H 4.500 . 4.500 4.444 4.306 4.513 0.013 3 0 "[ . 1 ]" 1
178 1 50 ASN H 1 53 ASN H 4.500 . 4.500 4.811 4.779 4.869 0.369 4 0 "[ . 1 ]" 1
179 1 50 ASN H 1 54 TRP HE1 4.500 . 4.500 4.602 4.540 4.644 0.144 8 0 "[ . 1 ]" 1
180 1 51 ILE H 1 52 THR H 4.500 . 4.500 2.717 2.700 2.730 . 0 0 "[ . 1 ]" 1
181 1 51 ILE H 1 53 ASN H 4.500 . 4.500 3.781 3.750 3.826 . 0 0 "[ . 1 ]" 1
182 1 51 ILE H 1 54 TRP HE1 6.500 . 6.500 4.319 4.126 4.501 . 0 0 "[ . 1 ]" 1
183 1 51 ILE HA 1 54 TRP H 5.500 . 5.500 3.925 3.839 4.027 . 0 0 "[ . 1 ]" 1
184 1 52 THR H 1 53 ASN H 4.500 . 4.500 2.388 2.305 2.437 . 0 0 "[ . 1 ]" 1
185 1 52 THR H 1 54 TRP H 4.500 . 4.500 4.567 4.540 4.617 0.117 5 0 "[ . 1 ]" 1
186 1 52 THR H 1 55 LEU H 6.500 . 6.500 4.803 4.680 4.977 . 0 0 "[ . 1 ]" 1
187 1 53 ASN H 1 54 TRP H 4.500 . 4.500 2.767 2.733 2.811 . 0 0 "[ . 1 ]" 1
188 1 53 ASN H 1 55 LEU H 4.500 . 4.500 3.907 3.703 4.139 . 0 0 "[ . 1 ]" 1
189 1 53 ASN QB 1 54 TRP H 4.500 . 4.500 2.258 2.184 2.323 . 0 0 "[ . 1 ]" 1
190 1 54 TRP H 1 54 TRP HE1 4.500 . 4.500 4.019 3.885 4.109 . 0 0 "[ . 1 ]" 1
191 1 54 TRP H 1 55 LEU H 4.500 . 4.500 2.591 2.478 2.685 . 0 0 "[ . 1 ]" 1
192 1 54 TRP H 1 56 TRP H 4.500 . 4.500 4.644 4.544 4.791 0.291 5 0 "[ . 1 ]" 1
193 1 54 TRP H 1 57 TYR H 5.500 . 5.500 4.883 4.707 5.326 . 0 0 "[ . 1 ]" 1
194 1 54 TRP HA 1 57 TYR H 6.500 . 6.500 3.211 3.038 3.323 . 0 0 "[ . 1 ]" 1
195 1 54 TRP HE1 1 55 LEU H 6.500 . 6.500 5.982 5.774 6.150 . 0 0 "[ . 1 ]" 1
196 1 55 LEU H 1 56 TRP H 4.500 . 4.500 3.019 3.001 3.042 . 0 0 "[ . 1 ]" 1
197 1 55 LEU H 1 57 TYR H 4.500 . 4.500 3.916 3.883 4.001 . 0 0 "[ . 1 ]" 1
198 1 55 LEU H 1 58 ILE H 6.500 . 6.500 4.894 4.749 5.213 . 0 0 "[ . 1 ]" 1
199 1 56 TRP H 1 56 TRP HE1 4.500 . 4.500 4.572 4.526 4.723 0.223 5 0 "[ . 1 ]" 1
200 1 56 TRP H 1 57 TYR H 3.000 . 3.000 2.664 2.631 2.694 . 0 0 "[ . 1 ]" 1
201 1 56 TRP H 1 58 ILE H 4.500 . 4.500 4.628 4.593 4.687 0.187 7 0 "[ . 1 ]" 1
202 1 56 TRP H 1 59 LYS H 4.500 . 4.500 4.675 4.629 4.718 0.218 1 0 "[ . 1 ]" 1
203 1 57 TYR H 1 58 ILE H 3.000 . 3.000 2.657 2.588 2.690 . 0 0 "[ . 1 ]" 1
204 1 57 TYR H 1 59 LYS H 4.500 . 4.500 3.510 3.422 3.581 . 0 0 "[ . 1 ]" 1
205 1 58 ILE H 1 59 LYS H 3.000 . 3.000 2.504 2.396 2.583 . 0 0 "[ . 1 ]" 1
206 2 5 GLU H 2 6 ALA H 5.500 . 5.500 3.570 1.943 4.593 . 0 0 "[ . 1 ]" 1
207 2 5 GLU H 2 20 TRP HE1 4.500 . 4.500 4.090 2.464 4.718 0.218 7 0 "[ . 1 ]" 1
208 2 5 GLU H 3 3 ILE MD 4.500 . 4.500 4.008 2.857 4.591 0.091 7 0 "[ . 1 ]" 1
209 2 6 ALA H 2 20 TRP HE1 5.500 . 5.500 3.917 2.270 5.174 . 0 0 "[ . 1 ]" 1
210 2 8 ARG H 2 9 ASP H 4.500 . 4.500 3.958 3.847 4.105 . 0 0 "[ . 1 ]" 1
211 2 8 ARG H 2 10 GLY H 5.500 . 5.500 5.530 5.513 5.552 0.052 4 0 "[ . 1 ]" 1
212 2 8 ARG QD 3 18 GLY H 4.500 . 4.500 3.892 3.134 4.316 . 0 0 "[ . 1 ]" 1
213 2 9 ASP H 2 10 GLY H 4.500 . 4.500 1.914 1.754 2.023 . 0 0 "[ . 1 ]" 1
214 2 9 ASP H 2 11 GLN H 4.500 . 4.500 2.784 2.660 2.902 . 0 0 "[ . 1 ]" 1
215 2 9 ASP H 3 17 ASP H 3.500 . 3.500 4.173 4.028 4.249 0.749 1 11 [+*-********] 1
216 2 10 GLY H 2 11 GLN H 4.500 . 4.500 2.449 2.314 2.564 . 0 0 "[ . 1 ]" 1
217 2 10 GLY H 3 17 ASP H 4.500 . 4.500 3.761 3.601 3.996 . 0 0 "[ . 1 ]" 1
218 2 11 GLN H 2 12 ALA H 6.500 . 6.500 4.524 4.488 4.569 . 0 0 "[ . 1 ]" 1
219 2 12 ALA H 2 13 TYR H 5.500 . 5.500 4.450 4.444 4.458 . 0 0 "[ . 1 ]" 1
220 2 12 ALA H 2 22 LEU MD2 4.500 . 4.500 2.911 2.725 3.483 . 0 0 "[ . 1 ]" 1
221 2 12 ALA H 2 23 LEU H 5.500 . 5.500 5.009 4.775 5.111 . 0 0 "[ . 1 ]" 1
222 2 12 ALA H 2 24 SER H 5.500 . 5.500 5.687 5.548 5.833 0.333 10 0 "[ . 1 ]" 1
223 2 13 TYR H 2 14 VAL H 4.500 . 4.500 4.348 4.117 4.381 . 0 0 "[ . 1 ]" 1
224 2 13 TYR H 2 21 VAL H 5.500 . 5.500 5.691 5.651 5.763 0.263 10 0 "[ . 1 ]" 1
225 2 13 TYR H 2 23 LEU H 5.500 . 5.500 4.621 4.412 4.821 . 0 0 "[ . 1 ]" 1
226 2 13 TYR H 3 14 VAL MG2 4.500 . 4.500 2.661 2.463 2.867 . 0 0 "[ . 1 ]" 1
227 2 13 TYR H 3 15 ARG H 3.500 . 3.500 3.471 3.287 3.650 0.150 9 0 "[ . 1 ]" 1
228 2 14 VAL H 2 15 ARG H 4.500 . 4.500 4.479 4.406 4.501 0.001 2 0 "[ . 1 ]" 1
229 2 14 VAL H 2 16 LYS H 5.500 . 5.500 5.447 5.190 5.544 0.044 5 0 "[ . 1 ]" 1
230 2 14 VAL H 2 20 TRP H 6.500 . 6.500 6.550 5.787 6.670 0.170 6 0 "[ . 1 ]" 1
231 2 14 VAL H 2 21 VAL H 3.000 . 3.000 2.306 1.914 2.396 . 0 0 "[ . 1 ]" 1
232 2 14 VAL H 2 22 LEU H 4.500 . 4.500 4.606 4.535 4.891 0.391 10 0 "[ . 1 ]" 1
233 2 14 VAL H 2 23 LEU H 4.500 . 4.500 3.799 3.570 4.495 . 0 0 "[ . 1 ]" 1
234 2 14 VAL H 3 14 VAL MG2 4.500 . 4.500 4.161 4.007 4.487 . 0 0 "[ . 1 ]" 1
235 2 14 VAL H 3 15 ARG H 5.500 . 5.500 5.560 5.390 5.729 0.229 11 0 "[ . 1 ]" 1
236 2 15 ARG H 2 16 LYS H 5.500 . 5.500 4.285 4.275 4.302 . 0 0 "[ . 1 ]" 1
237 2 15 ARG H 2 21 VAL H 5.500 . 5.500 5.327 5.214 5.439 . 0 0 "[ . 1 ]" 1
238 2 16 LYS H 2 17 ASP H 6.500 . 6.500 4.251 4.221 4.283 . 0 0 "[ . 1 ]" 1
239 2 16 LYS H 2 18 GLY H 4.500 . 4.500 3.886 3.793 3.997 . 0 0 "[ . 1 ]" 1
240 2 16 LYS H 2 19 GLU H 3.000 . 3.000 2.611 2.512 2.693 . 0 0 "[ . 1 ]" 1
241 2 16 LYS H 2 20 TRP H 5.500 . 5.500 5.381 5.180 5.490 . 0 0 "[ . 1 ]" 1
242 2 16 LYS H 2 21 VAL H 4.500 . 4.500 4.344 4.254 4.459 . 0 0 "[ . 1 ]" 1
243 2 17 ASP H 2 18 GLY H 5.500 . 5.500 3.031 3.013 3.053 . 0 0 "[ . 1 ]" 1
244 2 17 ASP H 2 19 GLU H 6.500 . 6.500 4.429 4.373 4.474 . 0 0 "[ . 1 ]" 1
245 2 18 GLY H 2 19 GLU H 4.500 . 4.500 2.834 2.823 2.849 . 0 0 "[ . 1 ]" 1
246 2 19 GLU H 2 20 TRP H 4.500 . 4.500 4.385 4.379 4.394 . 0 0 "[ . 1 ]" 1
247 2 19 GLU H 2 21 VAL H 5.500 . 5.500 5.623 5.579 5.691 0.191 10 0 "[ . 1 ]" 1
248 2 20 TRP H 2 20 TRP HE1 5.500 . 5.500 4.155 3.593 4.820 . 0 0 "[ . 1 ]" 1
249 2 20 TRP H 2 21 VAL H 4.500 . 4.500 4.405 4.365 4.430 . 0 0 "[ . 1 ]" 1
250 2 21 VAL H 2 22 LEU H 4.500 . 4.500 4.226 4.136 4.322 . 0 0 "[ . 1 ]" 1
251 2 21 VAL H 2 23 LEU H 5.500 . 5.500 5.513 5.474 5.560 0.060 9 0 "[ . 1 ]" 1
252 2 22 LEU H 2 23 LEU H 4.500 . 4.500 4.399 4.371 4.417 . 0 0 "[ . 1 ]" 1
253 2 22 LEU H 2 24 SER H 5.500 . 5.500 5.590 5.508 5.643 0.143 9 0 "[ . 1 ]" 1
254 2 22 LEU H 2 25 THR H 5.500 . 5.500 5.162 5.011 5.266 . 0 0 "[ . 1 ]" 1
255 2 23 LEU H 2 24 SER H 4.500 . 4.500 2.739 2.685 2.761 . 0 0 "[ . 1 ]" 1
256 2 23 LEU H 2 25 THR H 4.500 . 4.500 4.307 4.151 4.407 . 0 0 "[ . 1 ]" 1
257 2 23 LEU H 2 26 PHE H 6.500 . 6.500 5.373 5.291 5.439 . 0 0 "[ . 1 ]" 1
258 2 23 LEU H 2 27 LEU H 6.500 . 6.500 6.581 6.459 6.685 0.185 1 0 "[ . 1 ]" 1
259 2 23 LEU H 3 14 VAL MG2 4.500 . 4.500 4.180 4.006 4.394 . 0 0 "[ . 1 ]" 1
260 2 24 SER H 2 25 THR H 4.500 . 4.500 2.839 2.670 2.892 . 0 0 "[ . 1 ]" 1
261 2 24 SER H 2 26 PHE H 5.500 . 5.500 4.256 4.210 4.315 . 0 0 "[ . 1 ]" 1
262 2 24 SER H 2 27 LEU H 4.500 . 4.500 4.784 4.672 4.879 0.379 10 0 "[ . 1 ]" 1
263 2 24 SER H 2 28 GLY H 6.500 . 6.500 6.440 6.280 6.582 0.082 5 0 "[ . 1 ]" 1
264 2 25 THR H 2 26 PHE H 4.500 . 4.500 2.495 2.468 2.526 . 0 0 "[ . 1 ]" 1
265 2 25 THR H 2 27 LEU H 4.500 . 4.500 3.833 3.739 3.883 . 0 0 "[ . 1 ]" 1
266 2 25 THR H 2 28 GLY H 5.500 . 5.500 5.142 5.009 5.504 0.004 7 0 "[ . 1 ]" 1
267 2 25 THR HA 2 28 GLY H 4.500 . 4.500 3.940 3.662 4.419 . 0 0 "[ . 1 ]" 1
268 2 26 PHE H 2 27 LEU H 3.000 . 3.000 2.251 2.160 2.358 . 0 0 "[ . 1 ]" 1
269 2 26 PHE H 2 28 GLY H 4.500 . 4.500 4.178 3.840 4.804 0.304 7 0 "[ . 1 ]" 1
270 2 26 PHE H 2 29 SER H 6.500 . 6.500 6.204 5.404 6.726 0.226 7 0 "[ . 1 ]" 1
271 2 27 LEU H 2 28 GLY H 4.500 . 4.500 2.538 2.413 2.937 . 0 0 "[ . 1 ]" 1
272 2 27 LEU H 2 29 SER H 5.500 . 5.500 4.576 4.003 5.371 . 0 0 "[ . 1 ]" 1
273 2 27 LEU HA 2 28 GLY H 4.500 . 4.500 3.521 3.408 3.571 . 0 0 "[ . 1 ]" 1
274 2 27 LEU QB 2 28 GLY H 4.500 . 4.500 2.608 2.078 3.045 . 0 0 "[ . 1 ]" 1
275 2 27 LEU QB 2 29 SER H . . 4.500 3.125 2.088 4.697 0.197 1 0 "[ . 1 ]" 1
276 2 27 LEU QD 3 27 LEU H 5.500 . 5.500 3.949 3.696 4.278 . 0 0 "[ . 1 ]" 1
277 2 27 LEU MD2 3 26 PHE H 5.500 . 5.500 5.370 4.815 5.661 0.161 2 0 "[ . 1 ]" 1
278 2 27 LEU MD2 3 28 GLY H 6.500 . 6.500 4.935 4.417 5.466 . 0 0 "[ . 1 ]" 1
279 2 28 GLY H 2 29 SER H 4.500 . 4.500 2.542 2.150 3.192 . 0 0 "[ . 1 ]" 1
280 2 29 SER H 2 30 SER H 4.500 . 4.500 4.144 2.601 4.561 0.061 11 0 "[ . 1 ]" 1
281 2 29 SER H 2 31 GLY H 5.500 . 5.500 4.739 3.896 5.775 0.275 1 0 "[ . 1 ]" 1
282 2 29 SER HA 2 32 ASN H 4.500 . 4.500 4.182 3.497 4.737 0.237 10 0 "[ . 1 ]" 1
283 2 30 SER H 2 31 GLY H 4.500 . 4.500 2.805 1.896 3.295 . 0 0 "[ . 1 ]" 1
284 2 30 SER H 2 32 ASN H 5.500 . 5.500 3.895 3.112 5.461 . 0 0 "[ . 1 ]" 1
285 2 30 SER H 2 33 GLU H 6.500 . 6.500 3.370 2.795 3.857 . 0 0 "[ . 1 ]" 1
286 2 30 SER H 2 34 GLN H 5.500 . 5.500 5.315 4.575 5.677 0.177 1 0 "[ . 1 ]" 1
287 2 30 SER HA 2 33 GLU H 4.500 . 4.500 4.159 3.258 4.542 0.042 8 0 "[ . 1 ]" 1
288 2 31 GLY H 2 32 ASN H 4.500 . 4.500 2.437 1.555 3.354 . 0 0 "[ . 1 ]" 1
289 2 31 GLY H 2 32 ASN QB 5.500 . 5.500 4.430 3.486 5.186 . 0 0 "[ . 1 ]" 1
290 2 31 GLY H 2 33 GLU H 4.500 . 4.500 3.161 2.413 3.560 . 0 0 "[ . 1 ]" 1
291 2 31 GLY H 2 33 GLU QB 5.500 . 5.500 3.860 3.398 4.666 . 0 0 "[ . 1 ]" 1
292 2 31 GLY H 2 33 GLU QG 5.500 . 5.500 4.783 3.333 5.531 0.031 6 0 "[ . 1 ]" 1
293 2 31 GLY H 2 34 GLN H 5.500 . 5.500 5.075 4.261 5.770 0.270 10 0 "[ . 1 ]" 1
294 2 31 GLY H 2 36 LEU QD 6.500 . 6.500 5.662 4.928 6.372 . 0 0 "[ . 1 ]" 1
295 2 31 GLY QA 2 32 ASN H . . 3.000 2.664 2.212 2.919 . 0 0 "[ . 1 ]" 1
296 2 31 GLY QA 2 33 GLU H 4.500 . 4.500 3.800 3.323 4.170 . 0 0 "[ . 1 ]" 1
297 2 31 GLY QA 2 34 GLN H 4.500 . 4.500 4.742 4.178 4.902 0.402 7 0 "[ . 1 ]" 1
298 2 32 ASN H 2 33 GLU H 4.500 . 4.500 1.958 1.408 2.971 . 0 0 "[ . 1 ]" 1
299 2 32 ASN H 2 33 GLU HA 4.500 . 4.500 4.433 4.141 4.886 0.386 5 0 "[ . 1 ]" 1
300 2 32 ASN H 2 34 GLN H 4.500 . 4.500 3.680 3.034 4.733 0.233 10 0 "[ . 1 ]" 1
301 2 32 ASN H 2 35 GLU H 5.500 . 5.500 5.315 5.154 5.629 0.129 9 0 "[ . 1 ]" 1
302 2 32 ASN H 2 36 LEU QD 6.500 . 6.500 4.701 4.488 5.021 . 0 0 "[ . 1 ]" 1
303 2 32 ASN HA 2 34 GLN H 4.500 . 4.500 3.236 2.945 4.043 . 0 0 "[ . 1 ]" 1
304 2 32 ASN HA 2 35 GLU H 4.500 . 4.500 3.366 3.082 3.534 . 0 0 "[ . 1 ]" 1
305 2 32 ASN QB 2 33 GLU H 3.500 . 3.500 3.430 3.078 3.754 0.254 8 0 "[ . 1 ]" 1
306 2 32 ASN QB 2 34 GLN H 4.500 . 4.500 4.379 4.196 4.970 0.470 5 0 "[ . 1 ]" 1
307 2 32 ASN QB 2 35 GLU H 4.500 . 4.500 4.192 3.278 4.655 0.155 2 0 "[ . 1 ]" 1
308 2 33 GLU H 2 33 GLU HA 3.000 . 3.000 2.825 2.812 2.832 . 0 0 "[ . 1 ]" 1
309 2 33 GLU H 2 34 GLN H 3.000 . 3.000 2.361 2.211 2.494 . 0 0 "[ . 1 ]" 1
310 2 33 GLU H 2 35 GLU H 4.500 . 4.500 4.505 3.792 4.704 0.204 7 0 "[ . 1 ]" 1
311 2 33 GLU H 2 36 LEU MD1 4.500 . 4.500 4.048 3.900 4.634 0.134 5 0 "[ . 1 ]" 1
312 2 33 GLU H 2 36 LEU HG 4.500 . 4.500 4.572 4.447 4.692 0.192 7 0 "[ . 1 ]" 1
313 2 34 GLN H 2 34 GLN HA 3.000 . 3.000 2.848 2.810 2.871 . 0 0 "[ . 1 ]" 1
314 2 34 GLN H 2 35 GLU H 3.000 . 3.000 2.815 2.727 2.867 . 0 0 "[ . 1 ]" 1
315 2 34 GLN H 2 36 LEU H 4.500 . 4.500 3.826 3.663 4.606 0.106 5 0 "[ . 1 ]" 1
316 2 34 GLN H 2 36 LEU QD 6.500 . 6.500 4.589 4.523 4.667 . 0 0 "[ . 1 ]" 1
317 2 34 GLN H 2 36 LEU HG 4.500 . 4.500 4.530 4.404 4.633 0.133 10 0 "[ . 1 ]" 1
318 2 35 GLU H 2 36 LEU H 3.000 . 3.000 2.557 2.429 2.640 . 0 0 "[ . 1 ]" 1
319 2 35 GLU H 2 37 LEU H 4.500 . 4.500 4.177 3.783 4.434 . 0 0 "[ . 1 ]" 1
320 2 35 GLU H 2 38 GLU H 4.500 . 4.500 4.697 4.582 4.840 0.340 8 0 "[ . 1 ]" 1
321 2 36 LEU H 2 37 LEU H 3.000 . 3.000 2.569 2.484 2.825 . 0 0 "[ . 1 ]" 1
322 2 36 LEU H 2 38 GLU H 4.500 . 4.500 3.810 3.662 4.057 . 0 0 "[ . 1 ]" 1
323 2 38 GLU H 2 39 LEU H 3.000 . 3.000 2.651 2.609 2.712 . 0 0 "[ . 1 ]" 1
324 2 38 GLU H 2 40 ASP H 4.500 . 4.500 4.187 3.985 4.453 . 0 0 "[ . 1 ]" 1
325 2 38 GLU H 2 40 ASP QB . . 4.500 4.791 4.633 4.887 0.387 2 0 "[ . 1 ]" 1
326 2 38 GLU H 2 42 TRP HE1 4.750 . 4.750 4.996 4.883 5.112 0.362 4 0 "[ . 1 ]" 1
327 2 39 LEU H 2 40 ASP H 4.500 . 4.500 2.874 2.719 3.035 . 0 0 "[ . 1 ]" 1
328 2 39 LEU H 2 40 ASP QB 4.500 . 4.500 4.466 4.342 4.516 0.016 7 0 "[ . 1 ]" 1
329 2 39 LEU H 2 41 LYS H 4.500 . 4.500 4.093 3.914 4.223 . 0 0 "[ . 1 ]" 1
330 2 39 LEU H 2 42 TRP H 6.500 . 6.500 4.748 4.591 4.997 . 0 0 "[ . 1 ]" 1
331 2 39 LEU H 2 42 TRP HE1 5.500 . 5.500 4.344 3.983 4.634 . 0 0 "[ . 1 ]" 1
332 2 39 LEU MD1 3 42 TRP HE1 6.500 . 6.500 6.261 5.344 6.646 0.146 5 0 "[ . 1 ]" 1
333 2 39 LEU MD2 3 38 GLU H 6.500 . 6.500 6.239 5.416 6.625 0.125 2 0 "[ . 1 ]" 1
334 2 39 LEU HG 2 40 ASP H 4.500 . 4.500 4.184 3.891 4.328 . 0 0 "[ . 1 ]" 1
335 2 40 ASP H 2 42 TRP H 4.500 . 4.500 4.355 4.165 4.512 0.012 7 0 "[ . 1 ]" 1
336 2 40 ASP H 2 43 ALA H 5.500 . 5.500 5.195 4.687 5.525 0.025 9 0 "[ . 1 ]" 1
337 2 40 ASP QB 2 43 ALA H 5.500 . 5.500 5.367 5.221 5.571 0.071 4 0 "[ . 1 ]" 1
338 2 41 LYS H 2 43 ALA H 5.500 . 5.500 4.021 3.731 4.200 . 0 0 "[ . 1 ]" 1
339 2 42 TRP H 2 42 TRP HE1 4.500 . 4.500 4.162 4.062 4.264 . 0 0 "[ . 1 ]" 1
340 2 42 TRP H 2 43 ALA H 3.000 . 3.000 2.742 2.653 2.833 . 0 0 "[ . 1 ]" 1
341 2 42 TRP H 2 44 SER H 4.500 . 4.500 4.202 4.146 4.264 . 0 0 "[ . 1 ]" 1
342 2 42 TRP H 2 45 LEU H 5.500 . 5.500 5.343 5.215 5.455 . 0 0 "[ . 1 ]" 1
343 2 42 TRP QB 2 43 ALA H 6.500 . 6.500 2.657 2.554 2.792 . 0 0 "[ . 1 ]" 1
344 2 42 TRP HE1 2 43 ALA H 6.500 . 6.500 6.634 6.442 6.758 0.258 10 0 "[ . 1 ]" 1
345 2 43 ALA H 2 43 ALA MB 3.000 . 3.000 2.175 2.052 2.231 . 0 0 "[ . 1 ]" 1
346 2 43 ALA H 2 44 SER H 4.500 . 4.500 2.649 2.607 2.694 . 0 0 "[ . 1 ]" 1
347 2 43 ALA H 2 45 LEU H 4.500 . 4.500 4.591 4.495 4.700 0.200 7 0 "[ . 1 ]" 1
348 2 43 ALA H 2 46 TRP H 5.500 . 5.500 4.862 4.721 5.024 . 0 0 "[ . 1 ]" 1
349 2 43 ALA H 2 47 ASN H 5.500 . 5.500 5.819 5.687 5.947 0.447 5 0 "[ . 1 ]" 1
350 2 44 SER H 2 45 LEU H 4.500 . 4.500 2.928 2.812 3.002 . 0 0 "[ . 1 ]" 1
351 2 44 SER H 2 46 TRP H 4.500 . 4.500 4.254 4.135 4.344 . 0 0 "[ . 1 ]" 1
352 2 44 SER H 2 47 ASN H 4.500 . 4.500 4.584 4.487 4.696 0.196 4 0 "[ . 1 ]" 1
353 2 45 LEU H 2 46 TRP H 4.500 . 4.500 2.720 2.667 2.762 . 0 0 "[ . 1 ]" 1
354 2 45 LEU H 2 47 ASN H 4.500 . 4.500 4.024 3.941 4.137 . 0 0 "[ . 1 ]" 1
355 2 45 LEU QB 2 48 TRP HE1 4.500 . 4.500 4.671 4.591 4.814 0.314 1 0 "[ . 1 ]" 1
356 2 46 TRP H 2 47 ASN H 4.500 . 4.500 2.754 2.609 2.914 . 0 0 "[ . 1 ]" 1
357 2 47 ASN H 2 48 TRP H 4.500 . 4.500 2.655 2.617 2.677 . 0 0 "[ . 1 ]" 1
358 2 47 ASN H 2 50 ASN H 5.500 . 5.500 5.668 5.568 5.783 0.283 5 0 "[ . 1 ]" 1
359 2 48 TRP H 2 48 TRP HA 3.000 . 3.000 2.836 2.746 2.913 . 0 0 "[ . 1 ]" 1
360 2 48 TRP H 2 48 TRP HE1 5.500 . 5.500 5.166 4.515 5.799 0.299 1 0 "[ . 1 ]" 1
361 2 48 TRP H 2 49 PHE H 4.500 . 4.500 2.533 2.311 2.780 . 0 0 "[ . 1 ]" 1
362 2 48 TRP H 2 50 ASN H 4.500 . 4.500 4.119 3.946 4.211 . 0 0 "[ . 1 ]" 1
363 2 48 TRP HE1 2 49 PHE H 6.500 . 6.500 5.704 4.290 6.935 0.435 5 0 "[ . 1 ]" 1
364 2 48 TRP HE1 2 51 ILE QG 6.000 . 6.000 5.796 4.794 6.445 0.445 4 0 "[ . 1 ]" 1
365 2 48 TRP HE1 2 51 ILE MG 5.500 . 5.500 5.614 5.463 5.769 0.269 1 0 "[ . 1 ]" 1
366 2 49 PHE H 2 50 ASN H 4.500 . 4.500 2.764 2.530 2.916 . 0 0 "[ . 1 ]" 1
367 2 49 PHE H 2 51 ILE H 5.500 . 5.500 4.559 4.452 4.640 . 0 0 "[ . 1 ]" 1
368 2 50 ASN H 2 51 ILE H 4.500 . 4.500 2.520 2.397 2.641 . 0 0 "[ . 1 ]" 1
369 2 50 ASN H 2 52 THR H 4.500 . 4.500 4.298 4.134 4.520 0.020 10 0 "[ . 1 ]" 1
370 2 50 ASN H 2 53 ASN H 4.500 . 4.500 4.712 4.589 4.866 0.366 10 0 "[ . 1 ]" 1
371 2 50 ASN H 2 54 TRP HE1 4.500 . 4.500 4.662 4.558 4.781 0.281 11 0 "[ . 1 ]" 1
372 2 51 ILE H 2 52 THR H 4.500 . 4.500 2.748 2.702 2.785 . 0 0 "[ . 1 ]" 1
373 2 51 ILE H 2 53 ASN H 4.500 . 4.500 3.831 3.729 3.895 . 0 0 "[ . 1 ]" 1
374 2 51 ILE H 2 54 TRP HE1 6.500 . 6.500 4.105 3.774 4.432 . 0 0 "[ . 1 ]" 1
375 2 51 ILE HA 2 54 TRP H 5.500 . 5.500 4.036 3.882 4.123 . 0 0 "[ . 1 ]" 1
376 2 52 THR H 2 53 ASN H 4.500 . 4.500 2.301 2.235 2.415 . 0 0 "[ . 1 ]" 1
377 2 52 THR H 2 54 TRP H 4.500 . 4.500 4.567 4.550 4.602 0.102 7 0 "[ . 1 ]" 1
378 2 52 THR H 2 55 LEU H 6.500 . 6.500 4.841 4.708 5.014 . 0 0 "[ . 1 ]" 1
379 2 53 ASN H 2 54 TRP H 4.500 . 4.500 2.808 2.748 2.852 . 0 0 "[ . 1 ]" 1
380 2 53 ASN H 2 55 LEU H 4.500 . 4.500 3.915 3.678 4.109 . 0 0 "[ . 1 ]" 1
381 2 53 ASN QB 2 54 TRP H 4.500 . 4.500 2.238 2.215 2.282 . 0 0 "[ . 1 ]" 1
382 2 54 TRP H 2 54 TRP HE1 4.500 . 4.500 3.878 3.694 4.065 . 0 0 "[ . 1 ]" 1
383 2 54 TRP H 2 55 LEU H 4.500 . 4.500 2.576 2.446 2.668 . 0 0 "[ . 1 ]" 1
384 2 54 TRP H 2 56 TRP H 4.500 . 4.500 4.618 4.533 4.727 0.227 7 0 "[ . 1 ]" 1
385 2 54 TRP H 2 57 TYR H 5.500 . 5.500 4.934 4.706 5.495 . 0 0 "[ . 1 ]" 1
386 2 54 TRP HA 2 57 TYR H 6.500 . 6.500 3.272 3.190 3.603 . 0 0 "[ . 1 ]" 1
387 2 54 TRP HE1 2 55 LEU H 6.500 . 6.500 5.767 5.466 6.017 . 0 0 "[ . 1 ]" 1
388 2 55 LEU H 2 56 TRP H 4.500 . 4.500 3.027 3.006 3.049 . 0 0 "[ . 1 ]" 1
389 2 55 LEU H 2 57 TYR H 4.500 . 4.500 3.929 3.882 4.089 . 0 0 "[ . 1 ]" 1
390 2 55 LEU H 2 58 ILE H 6.500 . 6.500 4.984 4.767 5.541 . 0 0 "[ . 1 ]" 1
391 2 56 TRP H 2 56 TRP HE1 4.500 . 4.500 4.559 4.465 4.773 0.273 7 0 "[ . 1 ]" 1
392 2 56 TRP H 2 57 TYR H 3.000 . 3.000 2.679 2.624 2.757 . 0 0 "[ . 1 ]" 1
393 2 56 TRP H 2 58 ILE H 4.500 . 4.500 4.650 4.616 4.747 0.247 7 0 "[ . 1 ]" 1
394 2 56 TRP H 2 59 LYS H 4.500 . 4.500 4.659 4.576 4.690 0.190 3 0 "[ . 1 ]" 1
395 2 57 TYR H 2 58 ILE H 3.000 . 3.000 2.644 2.550 2.698 . 0 0 "[ . 1 ]" 1
396 2 57 TYR H 2 59 LYS H 4.500 . 4.500 3.491 3.370 3.542 . 0 0 "[ . 1 ]" 1
397 2 58 ILE H 2 59 LYS H 3.000 . 3.000 2.456 2.159 2.551 . 0 0 "[ . 1 ]" 1
398 3 5 GLU H 3 6 ALA H 5.500 . 5.500 3.907 1.764 4.617 . 0 0 "[ . 1 ]" 1
399 3 5 GLU H 3 20 TRP HE1 4.500 . 4.500 3.728 2.156 4.574 0.074 11 0 "[ . 1 ]" 1
400 3 6 ALA H 3 20 TRP HE1 5.500 . 5.500 4.401 2.838 5.523 0.023 4 0 "[ . 1 ]" 1
401 3 8 ARG H 3 9 ASP H 4.500 . 4.500 3.883 3.650 3.966 . 0 0 "[ . 1 ]" 1
402 3 8 ARG H 3 10 GLY H 5.500 . 5.500 5.502 5.382 5.558 0.058 2 0 "[ . 1 ]" 1
403 3 9 ASP H 3 10 GLY H 4.500 . 4.500 1.877 1.572 2.178 . 0 0 "[ . 1 ]" 1
404 3 9 ASP H 3 11 GLN H 4.500 . 4.500 2.791 2.666 3.001 . 0 0 "[ . 1 ]" 1
405 3 10 GLY H 3 11 GLN H 4.500 . 4.500 2.437 2.328 2.522 . 0 0 "[ . 1 ]" 1
406 3 11 GLN H 3 12 ALA H 6.500 . 6.500 4.550 4.516 4.593 . 0 0 "[ . 1 ]" 1
407 3 12 ALA H 3 13 TYR H 5.500 . 5.500 4.450 4.438 4.457 . 0 0 "[ . 1 ]" 1
408 3 12 ALA H 3 22 LEU MD2 4.500 . 4.500 3.110 2.026 4.528 0.028 2 0 "[ . 1 ]" 1
409 3 12 ALA H 3 23 LEU H 5.500 . 5.500 4.942 4.555 5.196 . 0 0 "[ . 1 ]" 1
410 3 12 ALA H 3 24 SER H 5.500 . 5.500 5.706 5.390 5.918 0.418 6 0 "[ . 1 ]" 1
411 3 13 TYR H 3 14 VAL H 4.500 . 4.500 4.372 4.356 4.387 . 0 0 "[ . 1 ]" 1
412 3 13 TYR H 3 21 VAL H 5.500 . 5.500 5.675 5.635 5.765 0.265 3 0 "[ . 1 ]" 1
413 3 13 TYR H 3 23 LEU H 5.500 . 5.500 4.687 4.436 4.907 . 0 0 "[ . 1 ]" 1
414 3 14 VAL H 3 15 ARG H 4.500 . 4.500 4.489 4.470 4.513 0.013 11 0 "[ . 1 ]" 1
415 3 14 VAL H 3 16 LYS H 5.500 . 5.500 5.464 5.424 5.518 0.018 3 0 "[ . 1 ]" 1
416 3 14 VAL H 3 20 TRP H 6.500 . 6.500 6.611 6.556 6.665 0.165 11 0 "[ . 1 ]" 1
417 3 14 VAL H 3 21 VAL H 3.000 . 3.000 2.311 2.252 2.376 . 0 0 "[ . 1 ]" 1
418 3 14 VAL H 3 22 LEU H 4.500 . 4.500 4.611 4.576 4.685 0.185 2 0 "[ . 1 ]" 1
419 3 14 VAL H 3 23 LEU H 4.500 . 4.500 3.888 3.743 4.102 . 0 0 "[ . 1 ]" 1
420 3 15 ARG H 3 16 LYS H 5.500 . 5.500 4.280 4.265 4.294 . 0 0 "[ . 1 ]" 1
421 3 15 ARG H 3 21 VAL H 5.500 . 5.500 5.380 5.169 5.477 . 0 0 "[ . 1 ]" 1
422 3 16 LYS H 3 17 ASP H 6.500 . 6.500 4.257 4.230 4.289 . 0 0 "[ . 1 ]" 1
423 3 16 LYS H 3 18 GLY H 4.500 . 4.500 3.850 3.733 4.023 . 0 0 "[ . 1 ]" 1
424 3 16 LYS H 3 19 GLU H 3.000 . 3.000 2.618 2.511 2.682 . 0 0 "[ . 1 ]" 1
425 3 16 LYS H 3 20 TRP H 5.500 . 5.500 5.423 5.089 5.533 0.033 8 0 "[ . 1 ]" 1
426 3 16 LYS H 3 21 VAL H 4.500 . 4.500 4.413 4.250 4.517 0.017 2 0 "[ . 1 ]" 1
427 3 17 ASP H 3 18 GLY H 5.500 . 5.500 3.020 2.994 3.050 . 0 0 "[ . 1 ]" 1
428 3 17 ASP H 3 19 GLU H 6.500 . 6.500 4.455 4.354 4.526 . 0 0 "[ . 1 ]" 1
429 3 18 GLY H 3 19 GLU H 4.500 . 4.500 2.834 2.813 2.856 . 0 0 "[ . 1 ]" 1
430 3 19 GLU H 3 20 TRP H 4.500 . 4.500 4.378 4.361 4.390 . 0 0 "[ . 1 ]" 1
431 3 19 GLU H 3 21 VAL H 5.500 . 5.500 5.647 5.601 5.753 0.253 3 0 "[ . 1 ]" 1
432 3 20 TRP H 3 20 TRP HE1 5.500 . 5.500 4.161 3.707 4.895 . 0 0 "[ . 1 ]" 1
433 3 20 TRP H 3 21 VAL H 4.500 . 4.500 4.426 4.389 4.463 . 0 0 "[ . 1 ]" 1
434 3 21 VAL H 3 22 LEU H 4.500 . 4.500 4.189 4.111 4.275 . 0 0 "[ . 1 ]" 1
435 3 21 VAL H 3 23 LEU H 5.500 . 5.500 5.573 5.526 5.618 0.118 2 0 "[ . 1 ]" 1
436 3 22 LEU H 3 23 LEU H 4.500 . 4.500 4.416 4.390 4.433 . 0 0 "[ . 1 ]" 1
437 3 22 LEU H 3 24 SER H 5.500 . 5.500 5.619 5.576 5.655 0.155 1 0 "[ . 1 ]" 1
438 3 22 LEU H 3 25 THR H 5.500 . 5.500 5.115 4.972 5.217 . 0 0 "[ . 1 ]" 1
439 3 23 LEU H 3 24 SER H 4.500 . 4.500 2.760 2.687 2.812 . 0 0 "[ . 1 ]" 1
440 3 23 LEU H 3 25 THR H 4.500 . 4.500 4.325 4.154 4.444 . 0 0 "[ . 1 ]" 1
441 3 23 LEU H 3 26 PHE H 6.500 . 6.500 5.328 5.202 5.429 . 0 0 "[ . 1 ]" 1
442 3 23 LEU H 3 27 LEU H 6.500 . 6.500 6.601 6.461 6.726 0.226 5 0 "[ . 1 ]" 1
443 3 24 SER H 3 25 THR H 4.500 . 4.500 2.874 2.687 2.959 . 0 0 "[ . 1 ]" 1
444 3 24 SER H 3 26 PHE H 5.500 . 5.500 4.232 4.141 4.297 . 0 0 "[ . 1 ]" 1
445 3 24 SER H 3 27 LEU H 4.500 . 4.500 4.797 4.724 4.866 0.366 10 0 "[ . 1 ]" 1
446 3 24 SER H 3 28 GLY H 6.500 . 6.500 6.535 6.292 6.672 0.172 2 0 "[ . 1 ]" 1
447 3 25 THR H 3 26 PHE H 4.500 . 4.500 2.485 2.438 2.524 . 0 0 "[ . 1 ]" 1
448 3 25 THR H 3 27 LEU H 4.500 . 4.500 3.871 3.788 3.931 . 0 0 "[ . 1 ]" 1
449 3 25 THR H 3 28 GLY H 5.500 . 5.500 5.134 4.978 5.367 . 0 0 "[ . 1 ]" 1
450 3 25 THR HA 3 28 GLY H 4.500 . 4.500 3.842 3.645 4.097 . 0 0 "[ . 1 ]" 1
451 3 26 PHE H 3 27 LEU H 3.000 . 3.000 2.301 2.224 2.381 . 0 0 "[ . 1 ]" 1
452 3 26 PHE H 3 28 GLY H 4.500 . 4.500 4.087 3.672 4.370 . 0 0 "[ . 1 ]" 1
453 3 26 PHE H 3 29 SER H 6.500 . 6.500 6.393 5.720 6.661 0.161 7 0 "[ . 1 ]" 1
454 3 27 LEU H 3 28 GLY H 4.500 . 4.500 2.492 2.369 2.613 . 0 0 "[ . 1 ]" 1
455 3 27 LEU H 3 29 SER H 5.500 . 5.500 4.634 4.077 5.408 . 0 0 "[ . 1 ]" 1
456 3 27 LEU HA 3 28 GLY H 4.500 . 4.500 3.486 3.317 3.566 . 0 0 "[ . 1 ]" 1
457 3 27 LEU QB 3 28 GLY H 4.500 . 4.500 2.782 2.469 3.252 . 0 0 "[ . 1 ]" 1
458 3 27 LEU QB 3 29 SER H . . 4.500 3.141 2.111 4.642 0.142 10 0 "[ . 1 ]" 1
459 3 28 GLY H 3 29 SER H 4.500 . 4.500 2.785 2.180 3.479 . 0 0 "[ . 1 ]" 1
460 3 29 SER H 3 30 SER H 4.500 . 4.500 4.248 3.709 4.576 0.076 3 0 "[ . 1 ]" 1
461 3 29 SER H 3 31 GLY H 5.500 . 5.500 4.378 3.793 5.657 0.157 5 0 "[ . 1 ]" 1
462 3 29 SER HA 3 32 ASN H 4.500 . 4.500 4.349 3.263 4.811 0.311 2 0 "[ . 1 ]" 1
463 3 30 SER H 3 31 GLY H 4.500 . 4.500 2.821 2.369 3.231 . 0 0 "[ . 1 ]" 1
464 3 30 SER H 3 32 ASN H 5.500 . 5.500 4.272 3.224 5.482 . 0 0 "[ . 1 ]" 1
465 3 30 SER H 3 33 GLU H 6.500 . 6.500 3.793 2.788 5.823 . 0 0 "[ . 1 ]" 1
466 3 30 SER H 3 34 GLN H 5.500 . 5.500 5.406 4.621 5.904 0.404 2 0 "[ . 1 ]" 1
467 3 30 SER HA 3 33 GLU H 4.500 . 4.500 4.078 2.913 4.633 0.133 5 0 "[ . 1 ]" 1
468 3 31 GLY H 3 32 ASN H 4.500 . 4.500 2.563 1.509 3.367 . 0 0 "[ . 1 ]" 1
469 3 31 GLY H 3 32 ASN QB 5.500 . 5.500 4.682 3.488 5.182 . 0 0 "[ . 1 ]" 1
470 3 31 GLY H 3 33 GLU H 4.500 . 4.500 3.222 2.199 4.147 . 0 0 "[ . 1 ]" 1
471 3 31 GLY H 3 33 GLU QB 5.500 . 5.500 3.978 2.493 5.069 . 0 0 "[ . 1 ]" 1
472 3 31 GLY H 3 33 GLU QG 5.500 . 5.500 4.442 2.866 5.515 0.015 8 0 "[ . 1 ]" 1
473 3 31 GLY H 3 34 GLN H 5.500 . 5.500 5.050 3.919 5.709 0.209 9 0 "[ . 1 ]" 1
474 3 31 GLY H 3 36 LEU QD 6.500 . 6.500 5.667 4.813 6.479 . 0 0 "[ . 1 ]" 1
475 3 31 GLY QA 3 32 ASN H . . 3.000 2.656 2.215 2.927 . 0 0 "[ . 1 ]" 1
476 3 31 GLY QA 3 33 GLU H 4.500 . 4.500 3.738 2.938 4.256 . 0 0 "[ . 1 ]" 1
477 3 31 GLY QA 3 34 GLN H 4.500 . 4.500 4.816 4.428 4.982 0.482 1 0 "[ . 1 ]" 1
478 3 32 ASN H 3 33 GLU H 4.500 . 4.500 2.099 1.444 3.020 . 0 0 "[ . 1 ]" 1
479 3 32 ASN H 3 33 GLU HA 4.500 . 4.500 4.529 4.175 4.984 0.484 2 0 "[ . 1 ]" 1
480 3 32 ASN H 3 34 GLN H 4.500 . 4.500 3.666 2.861 4.734 0.234 5 0 "[ . 1 ]" 1
481 3 32 ASN H 3 35 GLU H 5.500 . 5.500 5.304 4.884 5.624 0.124 9 0 "[ . 1 ]" 1
482 3 32 ASN H 3 36 LEU QD 6.500 . 6.500 4.721 4.518 5.067 . 0 0 "[ . 1 ]" 1
483 3 32 ASN HA 3 34 GLN H 4.500 . 4.500 3.196 2.920 3.726 . 0 0 "[ . 1 ]" 1
484 3 32 ASN HA 3 35 GLU H 4.500 . 4.500 3.393 3.155 3.619 . 0 0 "[ . 1 ]" 1
485 3 32 ASN QB 3 33 GLU H 3.500 . 3.500 3.505 3.193 3.746 0.246 9 0 "[ . 1 ]" 1
486 3 32 ASN QB 3 34 GLN H 4.500 . 4.500 4.356 4.162 4.839 0.339 5 0 "[ . 1 ]" 1
487 3 32 ASN QB 3 35 GLU H 4.500 . 4.500 4.174 3.251 4.876 0.376 2 0 "[ . 1 ]" 1
488 3 33 GLU H 3 33 GLU HA 3.000 . 3.000 2.822 2.777 2.851 . 0 0 "[ . 1 ]" 1
489 3 33 GLU H 3 34 GLN H 3.000 . 3.000 2.347 2.218 2.449 . 0 0 "[ . 1 ]" 1
490 3 33 GLU H 3 35 GLU H 4.500 . 4.500 4.557 4.028 4.762 0.262 10 0 "[ . 1 ]" 1
491 3 33 GLU H 3 36 LEU MD1 4.500 . 4.500 4.097 3.888 4.613 0.113 2 0 "[ . 1 ]" 1
492 3 33 GLU H 3 36 LEU HG 4.500 . 4.500 4.575 4.501 4.654 0.154 10 0 "[ . 1 ]" 1
493 3 34 GLN H 3 34 GLN HA 3.000 . 3.000 2.847 2.794 2.878 . 0 0 "[ . 1 ]" 1
494 3 34 GLN H 3 35 GLU H 3.000 . 3.000 2.847 2.811 2.896 . 0 0 "[ . 1 ]" 1
495 3 34 GLN H 3 36 LEU H 4.500 . 4.500 3.855 3.670 4.423 . 0 0 "[ . 1 ]" 1
496 3 34 GLN H 3 36 LEU QD 6.500 . 6.500 4.545 4.062 4.796 . 0 0 "[ . 1 ]" 1
497 3 34 GLN H 3 36 LEU HG 4.500 . 4.500 4.511 4.335 4.589 0.089 5 0 "[ . 1 ]" 1
498 3 35 GLU H 3 36 LEU H 3.000 . 3.000 2.560 2.441 2.820 . 0 0 "[ . 1 ]" 1
499 3 35 GLU H 3 37 LEU H 4.500 . 4.500 4.164 3.841 4.465 . 0 0 "[ . 1 ]" 1
500 3 35 GLU H 3 38 GLU H 4.500 . 4.500 4.712 4.570 4.938 0.438 9 0 "[ . 1 ]" 1
501 3 36 LEU H 3 37 LEU H 3.000 . 3.000 2.580 2.480 2.787 . 0 0 "[ . 1 ]" 1
502 3 36 LEU H 3 38 GLU H 4.500 . 4.500 3.867 3.651 4.460 . 0 0 "[ . 1 ]" 1
503 3 38 GLU H 3 39 LEU H 3.000 . 3.000 2.648 2.607 2.692 . 0 0 "[ . 1 ]" 1
504 3 38 GLU H 3 40 ASP H 4.500 . 4.500 4.200 4.018 4.423 . 0 0 "[ . 1 ]" 1
505 3 38 GLU H 3 40 ASP QB . . 4.500 4.785 4.696 4.916 0.416 9 0 "[ . 1 ]" 1
506 3 38 GLU H 3 42 TRP HE1 4.750 . 4.750 5.019 4.900 5.144 0.394 9 0 "[ . 1 ]" 1
507 3 39 LEU H 3 40 ASP H 4.500 . 4.500 2.895 2.771 3.006 . 0 0 "[ . 1 ]" 1
508 3 39 LEU H 3 40 ASP QB 4.500 . 4.500 4.483 4.426 4.510 0.010 8 0 "[ . 1 ]" 1
509 3 39 LEU H 3 41 LYS H 4.500 . 4.500 4.062 3.959 4.162 . 0 0 "[ . 1 ]" 1
510 3 39 LEU H 3 42 TRP H 6.500 . 6.500 4.690 4.578 4.802 . 0 0 "[ . 1 ]" 1
511 3 39 LEU H 3 42 TRP HE1 5.500 . 5.500 4.297 3.958 4.598 . 0 0 "[ . 1 ]" 1
512 3 39 LEU HG 3 40 ASP H 4.500 . 4.500 4.231 3.971 4.549 0.049 9 0 "[ . 1 ]" 1
513 3 40 ASP H 3 42 TRP H 4.500 . 4.500 4.290 4.093 4.461 . 0 0 "[ . 1 ]" 1
514 3 40 ASP H 3 43 ALA H 5.500 . 5.500 5.250 4.644 5.520 0.020 8 0 "[ . 1 ]" 1
515 3 40 ASP QB 3 43 ALA H 5.500 . 5.500 5.416 5.200 5.559 0.059 6 0 "[ . 1 ]" 1
516 3 41 LYS H 3 43 ALA H 5.500 . 5.500 4.068 3.738 4.200 . 0 0 "[ . 1 ]" 1
517 3 42 TRP H 3 42 TRP HE1 4.500 . 4.500 4.187 4.097 4.314 . 0 0 "[ . 1 ]" 1
518 3 42 TRP H 3 43 ALA H 3.000 . 3.000 2.716 2.585 2.816 . 0 0 "[ . 1 ]" 1
519 3 42 TRP H 3 44 SER H 4.500 . 4.500 4.187 4.118 4.295 . 0 0 "[ . 1 ]" 1
520 3 42 TRP H 3 45 LEU H 5.500 . 5.500 5.316 5.225 5.477 . 0 0 "[ . 1 ]" 1
521 3 42 TRP QB 3 43 ALA H 6.500 . 6.500 2.654 2.552 2.825 . 0 0 "[ . 1 ]" 1
522 3 42 TRP HE1 3 43 ALA H 6.500 . 6.500 6.665 6.521 6.756 0.256 9 0 "[ . 1 ]" 1
523 3 43 ALA H 3 43 ALA MB 3.000 . 3.000 2.136 2.028 2.228 . 0 0 "[ . 1 ]" 1
524 3 43 ALA H 3 44 SER H 4.500 . 4.500 2.659 2.619 2.689 . 0 0 "[ . 1 ]" 1
525 3 43 ALA H 3 45 LEU H 4.500 . 4.500 4.542 4.466 4.656 0.156 7 0 "[ . 1 ]" 1
526 3 43 ALA H 3 46 TRP H 5.500 . 5.500 4.931 4.716 5.107 . 0 0 "[ . 1 ]" 1
527 3 43 ALA H 3 47 ASN H 5.500 . 5.500 5.798 5.718 5.867 0.367 2 0 "[ . 1 ]" 1
528 3 44 SER H 3 45 LEU H 4.500 . 4.500 2.894 2.841 2.999 . 0 0 "[ . 1 ]" 1
529 3 44 SER H 3 46 TRP H 4.500 . 4.500 4.289 4.168 4.334 . 0 0 "[ . 1 ]" 1
530 3 44 SER H 3 47 ASN H 4.500 . 4.500 4.536 4.491 4.677 0.177 7 0 "[ . 1 ]" 1
531 3 45 LEU H 3 46 TRP H 4.500 . 4.500 2.731 2.688 2.752 . 0 0 "[ . 1 ]" 1
532 3 45 LEU H 3 47 ASN H 4.500 . 4.500 4.000 3.955 4.098 . 0 0 "[ . 1 ]" 1
533 3 45 LEU QB 3 48 TRP HE1 4.500 . 4.500 4.663 4.608 4.751 0.251 8 0 "[ . 1 ]" 1
534 3 46 TRP H 3 47 ASN H 4.500 . 4.500 2.687 2.621 2.879 . 0 0 "[ . 1 ]" 1
535 3 47 ASN H 3 48 TRP H 4.500 . 4.500 2.651 2.612 2.676 . 0 0 "[ . 1 ]" 1
536 3 47 ASN H 3 50 ASN H 5.500 . 5.500 5.643 5.561 5.731 0.231 2 0 "[ . 1 ]" 1
537 3 48 TRP H 3 48 TRP HA 3.000 . 3.000 2.880 2.751 2.912 . 0 0 "[ . 1 ]" 1
538 3 48 TRP H 3 48 TRP HE1 5.500 . 5.500 5.471 4.475 5.716 0.216 9 0 "[ . 1 ]" 1
539 3 48 TRP H 3 49 PHE H 4.500 . 4.500 2.428 2.332 2.757 . 0 0 "[ . 1 ]" 1
540 3 48 TRP H 3 50 ASN H 4.500 . 4.500 4.164 3.968 4.207 . 0 0 "[ . 1 ]" 1
541 3 48 TRP HE1 3 49 PHE H 6.500 . 6.500 5.337 4.394 6.918 0.418 2 0 "[ . 1 ]" 1
542 3 48 TRP HE1 3 51 ILE QG 6.000 . 6.000 5.562 4.831 6.433 0.433 7 0 "[ . 1 ]" 1
543 3 48 TRP HE1 3 51 ILE MG 5.500 . 5.500 5.615 5.515 5.662 0.162 10 0 "[ . 1 ]" 1
544 3 49 PHE H 3 50 ASN H 4.500 . 4.500 2.629 2.534 2.825 . 0 0 "[ . 1 ]" 1
545 3 49 PHE H 3 51 ILE H 5.500 . 5.500 4.513 4.442 4.625 . 0 0 "[ . 1 ]" 1
546 3 50 ASN H 3 51 ILE H 4.500 . 4.500 2.492 2.413 2.650 . 0 0 "[ . 1 ]" 1
547 3 50 ASN H 3 52 THR H 4.500 . 4.500 4.400 4.096 4.534 0.034 10 0 "[ . 1 ]" 1
548 3 50 ASN H 3 53 ASN H 4.500 . 4.500 4.779 4.581 4.858 0.358 10 0 "[ . 1 ]" 1
549 3 50 ASN H 3 54 TRP HE1 4.500 . 4.500 4.617 4.555 4.758 0.258 7 0 "[ . 1 ]" 1
550 3 51 ILE H 3 52 THR H 4.500 . 4.500 2.724 2.692 2.776 . 0 0 "[ . 1 ]" 1
551 3 51 ILE H 3 53 ASN H 4.500 . 4.500 3.798 3.748 3.904 . 0 0 "[ . 1 ]" 1
552 3 51 ILE H 3 54 TRP HE1 6.500 . 6.500 4.250 3.758 4.546 . 0 0 "[ . 1 ]" 1
553 3 51 ILE HA 3 54 TRP H 5.500 . 5.500 3.962 3.814 4.084 . 0 0 "[ . 1 ]" 1
554 3 52 THR H 3 53 ASN H 4.500 . 4.500 2.365 2.238 2.465 . 0 0 "[ . 1 ]" 1
555 3 52 THR H 3 54 TRP H 4.500 . 4.500 4.572 4.529 4.617 0.117 4 0 "[ . 1 ]" 1
556 3 52 THR H 3 55 LEU H 6.500 . 6.500 4.797 4.698 4.975 . 0 0 "[ . 1 ]" 1
557 3 53 ASN H 3 54 TRP H 4.500 . 4.500 2.778 2.733 2.849 . 0 0 "[ . 1 ]" 1
558 3 53 ASN H 3 55 LEU H 4.500 . 4.500 3.854 3.674 4.115 . 0 0 "[ . 1 ]" 1
559 3 53 ASN QB 3 54 TRP H 4.500 . 4.500 2.256 2.224 2.325 . 0 0 "[ . 1 ]" 1
560 3 54 TRP H 3 54 TRP HE1 4.500 . 4.500 3.965 3.677 4.092 . 0 0 "[ . 1 ]" 1
561 3 54 TRP H 3 55 LEU H 4.500 . 4.500 2.560 2.471 2.684 . 0 0 "[ . 1 ]" 1
562 3 54 TRP H 3 56 TRP H 4.500 . 4.500 4.674 4.547 4.815 0.315 9 0 "[ . 1 ]" 1
563 3 54 TRP H 3 57 TYR H 5.500 . 5.500 4.964 4.714 5.341 . 0 0 "[ . 1 ]" 1
564 3 54 TRP HA 3 57 TYR H 6.500 . 6.500 3.217 3.058 3.345 . 0 0 "[ . 1 ]" 1
565 3 54 TRP HE1 3 55 LEU H 6.500 . 6.500 5.938 5.400 6.139 . 0 0 "[ . 1 ]" 1
566 3 55 LEU H 3 56 TRP H 4.500 . 4.500 3.019 3.005 3.052 . 0 0 "[ . 1 ]" 1
567 3 55 LEU H 3 57 TYR H 4.500 . 4.500 3.934 3.888 4.012 . 0 0 "[ . 1 ]" 1
568 3 55 LEU H 3 58 ILE H 6.500 . 6.500 4.954 4.755 5.305 . 0 0 "[ . 1 ]" 1
569 3 56 TRP H 3 56 TRP HE1 4.500 . 4.500 4.618 4.528 4.737 0.237 4 0 "[ . 1 ]" 1
570 3 56 TRP H 3 57 TYR H 3.000 . 3.000 2.659 2.631 2.698 . 0 0 "[ . 1 ]" 1
571 3 56 TRP H 3 58 ILE H 4.500 . 4.500 4.645 4.599 4.719 0.219 4 0 "[ . 1 ]" 1
572 3 56 TRP H 3 59 LYS H 4.500 . 4.500 4.655 4.610 4.698 0.198 4 0 "[ . 1 ]" 1
573 3 57 TYR H 3 58 ILE H 3.000 . 3.000 2.651 2.568 2.699 . 0 0 "[ . 1 ]" 1
574 3 57 TYR H 3 59 LYS H 4.500 . 4.500 3.471 3.380 3.526 . 0 0 "[ . 1 ]" 1
575 3 58 ILE H 3 59 LYS H 3.000 . 3.000 2.457 2.296 2.534 . 0 0 "[ . 1 ]" 1
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save_