NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562230 |
2m7w   |
19215 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m7w
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 569
_Distance_constraint_stats_list.Viol_count 2475
_Distance_constraint_stats_list.Viol_total 6984.091
_Distance_constraint_stats_list.Viol_max 0.785
_Distance_constraint_stats_list.Viol_rms 0.0910
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0379
_Distance_constraint_stats_list.Viol_average_violations_only 0.1568
_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 0.071 0.042 15 0 "[ . 1 . ]"
1 5 GLU 0.288 0.101 15 0 "[ . 1 . ]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 8 ARG 1.431 0.137 1 0 "[ . 1 . ]"
1 9 ASP 1.333 0.114 2 0 "[ . 1 . ]"
1 10 GLY 1.431 0.137 1 0 "[ . 1 . ]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 12 ALA 3.121 0.323 10 0 "[ . 1 . ]"
1 13 TYR 0.884 0.184 17 0 "[ . 1 . ]"
1 14 VAL 17.641 0.485 4 0 "[ . 1 . ]"
1 15 ARG 7.071 0.493 4 0 "[ . 1 . ]"
1 16 LYS 2.309 0.203 4 0 "[ . 1 . ]"
1 17 ASP 1.121 0.095 1 0 "[ . 1 . ]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 19 GLU 2.543 0.249 11 0 "[ . 1 . ]"
1 20 TRP 3.355 0.409 8 0 "[ . 1 . ]"
1 21 VAL 5.159 0.249 11 0 "[ . 1 . ]"
1 22 LEU 7.946 0.388 10 0 "[ . 1 . ]"
1 23 LEU 4.391 0.220 11 0 "[ . 1 . ]"
1 24 SER 8.328 0.463 3 0 "[ . 1 . ]"
1 25 THR 0.729 0.151 16 0 "[ . 1 . ]"
1 26 PHE 1.455 0.145 3 0 "[ . 1 . ]"
1 27 LEU 6.308 0.463 3 0 "[ . 1 . ]"
1 28 GLY 0.348 0.148 4 0 "[ . 1 . ]"
1 29 SER 3.906 0.361 13 0 "[ . 1 . ]"
1 30 SER 4.327 0.497 10 0 "[ . 1 . ]"
1 31 GLY 8.100 0.784 12 7 "[ . 1*+****- ]"
1 32 ASN 14.786 0.663 9 2 "[- . +1 . ]"
1 33 GLU 14.083 0.480 12 0 "[ . 1 . ]"
1 34 GLN 13.575 0.784 12 9 "[* . *1*+****- ]"
1 35 GLU 8.314 0.475 10 0 "[ . 1 . ]"
1 36 LEU 4.806 0.371 10 0 "[ . 1 . ]"
1 38 GLU 15.543 0.450 5 0 "[ . 1 . ]"
1 39 LEU 0.353 0.075 12 0 "[ . 1 . ]"
1 40 ASP 7.238 0.422 2 0 "[ . 1 . ]"
1 41 LYS 0.206 0.075 12 0 "[ . 1 . ]"
1 42 TRP 7.820 0.450 5 0 "[ . 1 . ]"
1 43 ALA 7.205 0.425 4 0 "[ . 1 . ]"
1 44 SER 1.176 0.181 2 0 "[ . 1 . ]"
1 45 LEU 4.587 0.516 6 1 "[ .+ 1 . ]"
1 46 TRP 0.000 0.000 . 0 "[ . 1 . ]"
1 47 ASN 7.952 0.425 4 0 "[ . 1 . ]"
1 48 TRP 10.901 0.516 6 3 "[ *.+ -1 . ]"
1 49 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 50 ASN 9.346 0.414 6 0 "[ . 1 . ]"
1 51 ILE 6.176 0.510 4 2 "[ +. -1 . ]"
1 52 THR 1.599 0.226 3 0 "[ . 1 . ]"
1 53 ASN 3.840 0.392 4 0 "[ . 1 . ]"
1 54 TRP 7.716 0.414 6 0 "[ . 1 . ]"
1 55 LEU 0.155 0.053 4 0 "[ . 1 . ]"
1 56 TRP 6.271 0.287 8 0 "[ . 1 . ]"
1 57 TYR 0.220 0.192 6 0 "[ . 1 . ]"
1 58 ILE 0.958 0.192 8 0 "[ . 1 . ]"
1 59 LYS 2.238 0.237 6 0 "[ . 1 . ]"
2 3 ILE 0.103 0.054 15 0 "[ . 1 . ]"
2 5 GLU 0.279 0.101 15 0 "[ . 1 . ]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 8 ARG 1.446 0.141 1 0 "[ . 1 . ]"
2 9 ASP 1.115 0.106 8 0 "[ . 1 . ]"
2 10 GLY 1.446 0.141 1 0 "[ . 1 . ]"
2 11 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 12 ALA 3.123 0.324 10 0 "[ . 1 . ]"
2 13 TYR 5.999 0.378 7 0 "[ . 1 . ]"
2 14 VAL 17.536 0.490 4 0 "[ . 1 . ]"
2 15 ARG 7.083 0.485 4 0 "[ . 1 . ]"
2 16 LYS 2.454 0.200 4 0 "[ . 1 . ]"
2 17 ASP 1.333 0.114 2 0 "[ . 1 . ]"
2 18 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 19 GLU 2.848 0.267 11 0 "[ . 1 . ]"
2 20 TRP 3.366 0.409 8 0 "[ . 1 . ]"
2 21 VAL 10.392 0.378 7 0 "[ . 1 . ]"
2 22 LEU 7.902 0.388 10 0 "[ . 1 . ]"
2 23 LEU 4.009 0.209 12 0 "[ . 1 . ]"
2 24 SER 8.304 0.464 3 0 "[ . 1 . ]"
2 25 THR 0.727 0.150 4 0 "[ . 1 . ]"
2 26 PHE 1.328 0.146 3 0 "[ . 1 . ]"
2 27 LEU 6.311 0.464 3 0 "[ . 1 . ]"
2 28 GLY 0.347 0.150 4 0 "[ . 1 . ]"
2 29 SER 3.895 0.361 13 0 "[ . 1 . ]"
2 30 SER 4.318 0.495 10 0 "[ . 1 . ]"
2 31 GLY 8.107 0.785 12 7 "[ . 1*+****- ]"
2 32 ASN 14.787 0.661 9 2 "[- . +1 . ]"
2 33 GLU 14.108 0.480 12 0 "[ . 1 . ]"
2 34 GLN 13.578 0.785 12 9 "[* . *1*+****- ]"
2 35 GLU 8.330 0.475 10 0 "[ . 1 . ]"
2 36 LEU 4.810 0.373 10 0 "[ . 1 . ]"
2 38 GLU 15.552 0.450 5 0 "[ . 1 . ]"
2 39 LEU 0.292 0.075 12 0 "[ . 1 . ]"
2 40 ASP 7.258 0.421 2 0 "[ . 1 . ]"
2 41 LYS 0.204 0.075 12 0 "[ . 1 . ]"
2 42 TRP 7.823 0.450 5 0 "[ . 1 . ]"
2 43 ALA 7.214 0.424 4 0 "[ . 1 . ]"
2 44 SER 1.170 0.181 2 0 "[ . 1 . ]"
2 45 LEU 4.596 0.515 6 1 "[ .+ 1 . ]"
2 46 TRP 0.000 0.000 . 0 "[ . 1 . ]"
2 47 ASN 7.922 0.424 4 0 "[ . 1 . ]"
2 48 TRP 10.902 0.515 6 3 "[ *.+ -1 . ]"
2 49 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 50 ASN 9.331 0.415 6 0 "[ . 1 . ]"
2 51 ILE 6.177 0.510 4 2 "[ +. -1 . ]"
2 52 THR 1.606 0.227 3 0 "[ . 1 . ]"
2 53 ASN 3.839 0.388 4 0 "[ . 1 . ]"
2 54 TRP 7.718 0.415 6 0 "[ . 1 . ]"
2 55 LEU 0.156 0.056 4 0 "[ . 1 . ]"
2 56 TRP 6.268 0.287 8 0 "[ . 1 . ]"
2 57 TYR 0.219 0.192 6 0 "[ . 1 . ]"
2 58 ILE 0.962 0.193 8 0 "[ . 1 . ]"
2 59 LYS 2.233 0.237 6 0 "[ . 1 . ]"
3 3 ILE 0.094 0.043 15 0 "[ . 1 . ]"
3 5 GLU 0.251 0.098 15 0 "[ . 1 . ]"
3 6 ALA 0.000 0.000 . 0 "[ . 1 . ]"
3 8 ARG 1.445 0.139 1 0 "[ . 1 . ]"
3 9 ASP 1.121 0.095 1 0 "[ . 1 . ]"
3 10 GLY 1.445 0.139 1 0 "[ . 1 . ]"
3 11 GLN 0.000 0.000 . 0 "[ . 1 . ]"
3 12 ALA 3.119 0.322 10 0 "[ . 1 . ]"
3 13 TYR 6.011 0.379 7 0 "[ . 1 . ]"
3 14 VAL 17.473 0.493 4 0 "[ . 1 . ]"
3 15 ARG 7.000 0.490 4 0 "[ . 1 . ]"
3 16 LYS 2.440 0.198 4 0 "[ . 1 . ]"
3 17 ASP 1.115 0.106 8 0 "[ . 1 . ]"
3 18 GLY 0.000 0.000 . 0 "[ . 1 . ]"
3 19 GLU 2.855 0.264 11 0 "[ . 1 . ]"
3 20 TRP 3.363 0.408 8 0 "[ . 1 . ]"
3 21 VAL 10.422 0.379 7 0 "[ . 1 . ]"
3 22 LEU 7.924 0.387 10 0 "[ . 1 . ]"
3 23 LEU 4.081 0.210 12 0 "[ . 1 . ]"
3 24 SER 8.326 0.464 3 0 "[ . 1 . ]"
3 25 THR 0.723 0.151 16 0 "[ . 1 . ]"
3 26 PHE 1.317 0.143 12 0 "[ . 1 . ]"
3 27 LEU 6.416 0.464 3 0 "[ . 1 . ]"
3 28 GLY 0.337 0.150 4 0 "[ . 1 . ]"
3 29 SER 3.873 0.361 13 0 "[ . 1 . ]"
3 30 SER 4.317 0.496 10 0 "[ . 1 . ]"
3 31 GLY 8.094 0.784 12 7 "[ . 1*+***-* ]"
3 32 ASN 14.758 0.661 9 2 "[- . +1 . ]"
3 33 GLU 14.095 0.480 12 0 "[ . 1 . ]"
3 34 GLN 13.559 0.784 12 9 "[* . *1*+***-* ]"
3 35 GLU 8.323 0.474 10 0 "[ . 1 . ]"
3 36 LEU 4.803 0.371 10 0 "[ . 1 . ]"
3 38 GLU 15.535 0.450 5 0 "[ . 1 . ]"
3 39 LEU 0.349 0.074 12 0 "[ . 1 . ]"
3 40 ASP 7.246 0.422 2 0 "[ . 1 . ]"
3 41 LYS 0.202 0.074 12 0 "[ . 1 . ]"
3 42 TRP 7.807 0.450 5 0 "[ . 1 . ]"
3 43 ALA 7.201 0.421 4 0 "[ . 1 . ]"
3 44 SER 1.172 0.180 2 0 "[ . 1 . ]"
3 45 LEU 4.591 0.516 6 1 "[ .+ 1 . ]"
3 46 TRP 0.000 0.000 . 0 "[ . 1 . ]"
3 47 ASN 7.937 0.421 4 0 "[ . 1 . ]"
3 48 TRP 10.904 0.516 6 3 "[ *.+ -1 . ]"
3 49 PHE 0.000 0.000 . 0 "[ . 1 . ]"
3 50 ASN 9.353 0.415 6 0 "[ . 1 . ]"
3 51 ILE 6.175 0.509 4 2 "[ +. -1 . ]"
3 52 THR 1.598 0.227 3 0 "[ . 1 . ]"
3 53 ASN 3.842 0.388 4 0 "[ . 1 . ]"
3 54 TRP 7.705 0.415 6 0 "[ . 1 . ]"
3 55 LEU 0.159 0.058 4 0 "[ . 1 . ]"
3 56 TRP 6.244 0.285 8 0 "[ . 1 . ]"
3 57 TYR 0.219 0.192 6 0 "[ . 1 . ]"
3 58 ILE 0.953 0.193 8 0 "[ . 1 . ]"
3 59 LYS 2.227 0.238 6 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 4.384 4.212 4.542 0.042 15 0 "[ . 1 . ]" 1
2 1 5 GLU H 1 6 ALA H 5.500 . 5.500 1.769 1.662 1.894 . 0 0 "[ . 1 . ]" 1
3 1 5 GLU H 1 20 TRP HE1 4.500 . 4.500 4.171 3.514 4.601 0.101 15 0 "[ . 1 . ]" 1
4 1 5 GLU H 2 3 ILE MD 4.500 . 4.500 4.402 4.230 4.554 0.054 15 0 "[ . 1 . ]" 1
5 1 6 ALA H 1 20 TRP HE1 5.500 . 5.500 5.122 4.203 5.480 . 0 0 "[ . 1 . ]" 1
6 1 8 ARG H 1 9 ASP H 4.500 . 4.500 4.205 4.085 4.307 . 0 0 "[ . 1 . ]" 1
7 1 8 ARG H 1 10 GLY H 5.500 . 5.500 5.580 5.528 5.637 0.137 1 0 "[ . 1 . ]" 1
8 1 8 ARG QD 2 18 GLY H 4.500 . 4.500 2.850 2.400 4.487 . 0 0 "[ . 1 . ]" 1
9 1 9 ASP H 1 10 GLY H 4.500 . 4.500 1.525 1.330 1.740 . 0 0 "[ . 1 . ]" 1
10 1 9 ASP H 1 11 GLN H 4.500 . 4.500 3.151 3.013 3.416 . 0 0 "[ . 1 . ]" 1
11 1 9 ASP H 2 17 ASP H 3.500 . 3.500 3.574 3.501 3.614 0.114 2 0 "[ . 1 . ]" 1
12 1 10 GLY H 1 11 GLN H 4.500 . 4.500 2.638 2.540 2.714 . 0 0 "[ . 1 . ]" 1
13 1 10 GLY H 2 17 ASP H 4.500 . 4.500 3.204 2.863 3.470 . 0 0 "[ . 1 . ]" 1
14 1 11 GLN H 1 12 ALA H 6.500 . 6.500 4.634 4.528 4.778 . 0 0 "[ . 1 . ]" 1
15 1 12 ALA H 1 13 TYR H 5.500 . 5.500 4.551 4.469 4.657 . 0 0 "[ . 1 . ]" 1
16 1 12 ALA H 1 22 LEU MD2 4.500 . 4.500 3.747 2.513 4.823 0.323 10 0 "[ . 1 . ]" 1
17 1 12 ALA H 1 23 LEU H 5.500 . 5.500 5.109 4.722 5.435 . 0 0 "[ . 1 . ]" 1
18 1 12 ALA H 1 24 SER H 5.500 . 5.500 5.620 5.303 5.770 0.270 1 0 "[ . 1 . ]" 1
19 1 13 TYR H 1 14 VAL H 4.500 . 4.500 4.269 4.137 4.347 . 0 0 "[ . 1 . ]" 1
20 1 13 TYR H 1 23 LEU H 5.500 . 5.500 4.375 4.095 4.703 . 0 0 "[ . 1 . ]" 1
21 1 13 TYR H 2 14 VAL MG2 4.500 . 4.500 2.819 2.331 3.864 . 0 0 "[ . 1 . ]" 1
22 1 13 TYR H 2 15 ARG H 3.500 . 3.500 3.522 3.218 3.684 0.184 17 0 "[ . 1 . ]" 1
23 1 14 VAL H 1 15 ARG H 4.500 . 4.500 4.564 4.509 4.622 0.122 2 0 "[ . 1 . ]" 1
24 1 14 VAL H 1 16 LYS H 5.500 . 5.500 5.583 5.431 5.703 0.203 4 0 "[ . 1 . ]" 1
25 1 14 VAL H 1 20 TRP H 6.500 . 6.500 6.586 6.067 6.909 0.409 8 0 "[ . 1 . ]" 1
26 1 14 VAL H 1 21 VAL H 3.000 . 3.000 2.367 1.843 2.750 . 0 0 "[ . 1 . ]" 1
27 1 14 VAL H 1 22 LEU H 4.500 . 4.500 4.786 4.713 4.888 0.388 10 0 "[ . 1 . ]" 1
28 1 14 VAL H 1 23 LEU H 4.500 . 4.500 4.022 3.542 4.651 0.151 6 0 "[ . 1 . ]" 1
29 1 14 VAL H 2 14 VAL MG2 4.500 . 4.500 4.438 4.166 4.642 0.142 12 0 "[ . 1 . ]" 1
30 1 14 VAL H 2 15 ARG H 5.500 . 5.500 5.768 5.629 5.985 0.485 4 0 "[ . 1 . ]" 1
31 1 14 VAL MG2 3 13 TYR H 4.500 . 4.500 2.822 2.348 3.874 . 0 0 "[ . 1 . ]" 1
32 1 14 VAL MG2 3 14 VAL H 4.500 . 4.500 4.438 4.168 4.641 0.141 12 0 "[ . 1 . ]" 1
33 1 14 VAL MG2 3 23 LEU H 4.500 . 4.500 4.532 4.411 4.666 0.166 2 0 "[ . 1 . ]" 1
34 1 15 ARG H 1 16 LYS H 5.500 . 5.500 4.385 4.271 4.501 . 0 0 "[ . 1 . ]" 1
35 1 15 ARG H 1 21 VAL H 5.500 . 5.500 5.449 5.141 5.556 0.056 10 0 "[ . 1 . ]" 1
36 1 15 ARG H 3 13 TYR H 3.500 . 3.500 3.524 3.211 3.683 0.183 17 0 "[ . 1 . ]" 1
37 1 15 ARG H 3 14 VAL H 5.500 . 5.500 5.765 5.625 5.993 0.493 4 0 "[ . 1 . ]" 1
38 1 16 LYS H 1 17 ASP H 6.500 . 6.500 4.267 4.178 4.356 . 0 0 "[ . 1 . ]" 1
39 1 16 LYS H 1 18 GLY H 4.500 . 4.500 3.904 3.692 4.105 . 0 0 "[ . 1 . ]" 1
40 1 16 LYS H 1 19 GLU H 3.000 . 3.000 2.612 2.297 2.784 . 0 0 "[ . 1 . ]" 1
41 1 16 LYS H 1 20 TRP H 5.500 . 5.500 5.408 5.095 5.626 0.126 14 0 "[ . 1 . ]" 1
42 1 16 LYS H 1 21 VAL H 4.500 . 4.500 4.472 4.269 4.580 0.080 6 0 "[ . 1 . ]" 1
43 1 17 ASP H 1 18 GLY H 5.500 . 5.500 3.166 3.119 3.273 . 0 0 "[ . 1 . ]" 1
44 1 17 ASP H 1 19 GLU H 6.500 . 6.500 4.566 4.412 4.726 . 0 0 "[ . 1 . ]" 1
45 1 17 ASP H 3 9 ASP H 3.500 . 3.500 3.562 3.513 3.595 0.095 1 0 "[ . 1 . ]" 1
46 1 17 ASP H 3 10 GLY H 4.500 . 4.500 3.196 2.875 3.477 . 0 0 "[ . 1 . ]" 1
47 1 18 GLY H 1 19 GLU H 4.500 . 4.500 2.918 2.825 2.998 . 0 0 "[ . 1 . ]" 1
48 1 18 GLY H 3 8 ARG QD 4.500 . 4.500 2.842 2.400 4.491 . 0 0 "[ . 1 . ]" 1
49 1 19 GLU H 1 20 TRP H 4.500 . 4.500 4.304 4.205 4.368 . 0 0 "[ . 1 . ]" 1
50 1 19 GLU H 1 21 VAL H 5.500 . 5.500 5.641 5.577 5.749 0.249 11 0 "[ . 1 . ]" 1
51 1 20 TRP H 1 20 TRP HE1 5.500 . 5.500 4.422 3.954 5.336 . 0 0 "[ . 1 . ]" 1
52 1 20 TRP H 1 21 VAL H 4.500 . 4.500 4.406 4.293 4.560 0.060 11 0 "[ . 1 . ]" 1
53 1 21 VAL H 1 22 LEU H 4.500 . 4.500 4.292 4.177 4.355 . 0 0 "[ . 1 . ]" 1
54 1 21 VAL H 1 23 LEU H 5.500 . 5.500 5.613 5.534 5.720 0.220 11 0 "[ . 1 . ]" 1
55 1 22 LEU H 1 23 LEU H 4.500 . 4.500 4.318 4.264 4.397 . 0 0 "[ . 1 . ]" 1
56 1 22 LEU H 1 24 SER H 5.500 . 5.500 5.608 5.409 5.699 0.199 4 0 "[ . 1 . ]" 1
57 1 22 LEU H 1 25 THR H 5.500 . 5.500 5.220 5.048 5.455 . 0 0 "[ . 1 . ]" 1
58 1 23 LEU H 1 24 SER H 4.500 . 4.500 2.757 2.647 3.008 . 0 0 "[ . 1 . ]" 1
59 1 23 LEU H 1 25 THR H 4.500 . 4.500 4.491 4.323 4.651 0.151 16 0 "[ . 1 . ]" 1
60 1 23 LEU H 1 26 PHE H 6.500 . 6.500 5.482 5.273 5.638 . 0 0 "[ . 1 . ]" 1
61 1 23 LEU H 1 27 LEU H 6.500 . 6.500 6.465 6.140 6.711 0.211 12 0 "[ . 1 . ]" 1
62 1 23 LEU H 2 14 VAL MG2 4.500 . 4.500 4.533 4.411 4.674 0.174 2 0 "[ . 1 . ]" 1
63 1 24 SER H 1 25 THR H 4.500 . 4.500 3.025 2.739 3.221 . 0 0 "[ . 1 . ]" 1
64 1 24 SER H 1 26 PHE H 5.500 . 5.500 4.337 4.199 4.416 . 0 0 "[ . 1 . ]" 1
65 1 24 SER H 1 27 LEU H 4.500 . 4.500 4.709 4.467 4.963 0.463 3 0 "[ . 1 . ]" 1
66 1 24 SER H 1 28 GLY H 6.500 . 6.500 6.054 5.092 6.592 0.092 5 0 "[ . 1 . ]" 1
67 1 25 THR H 1 26 PHE H 4.500 . 4.500 2.499 2.373 2.577 . 0 0 "[ . 1 . ]" 1
68 1 25 THR H 1 27 LEU H 4.500 . 4.500 3.943 3.756 4.385 . 0 0 "[ . 1 . ]" 1
69 1 25 THR H 1 28 GLY H 5.500 . 5.500 4.929 4.531 5.373 . 0 0 "[ . 1 . ]" 1
70 1 25 THR HA 1 28 GLY H 4.500 . 4.500 3.969 3.414 4.648 0.148 4 0 "[ . 1 . ]" 1
71 1 26 PHE H 1 27 LEU H 3.000 . 3.000 2.310 2.058 2.604 . 0 0 "[ . 1 . ]" 1
72 1 26 PHE H 1 28 GLY H 4.500 . 4.500 3.929 3.544 4.583 0.083 4 0 "[ . 1 . ]" 1
73 1 26 PHE H 1 29 SER H 6.500 . 6.500 6.045 5.013 6.644 0.144 12 0 "[ . 1 . ]" 1
74 1 26 PHE H 3 27 LEU MD2 5.500 . 5.500 5.429 4.528 5.645 0.145 3 0 "[ . 1 . ]" 1
75 1 27 LEU H 1 28 GLY H 4.500 . 4.500 2.386 2.075 2.789 . 0 0 "[ . 1 . ]" 1
76 1 27 LEU H 1 29 SER H 5.500 . 5.500 4.638 3.547 5.531 0.031 15 0 "[ . 1 . ]" 1
77 1 27 LEU H 3 27 LEU QD 5.500 . 5.500 4.237 3.249 4.991 . 0 0 "[ . 1 . ]" 1
78 1 27 LEU HA 1 28 GLY H 4.500 . 4.500 3.520 3.406 3.587 . 0 0 "[ . 1 . ]" 1
79 1 27 LEU QB 1 28 GLY H 4.500 . 4.500 2.656 2.105 2.960 . 0 0 "[ . 1 . ]" 1
80 1 27 LEU QB 1 29 SER H . . 4.500 3.542 1.950 4.781 0.281 17 0 "[ . 1 . ]" 1
81 1 27 LEU QD 2 27 LEU H 5.500 . 5.500 4.229 3.240 4.980 . 0 0 "[ . 1 . ]" 1
82 1 27 LEU MD2 2 26 PHE H 5.500 . 5.500 5.423 4.540 5.646 0.146 3 0 "[ . 1 . ]" 1
83 1 27 LEU MD2 2 28 GLY H 6.500 . 6.500 5.542 4.855 6.335 . 0 0 "[ . 1 . ]" 1
84 1 28 GLY H 1 29 SER H 4.500 . 4.500 2.682 1.944 3.267 . 0 0 "[ . 1 . ]" 1
85 1 28 GLY H 3 27 LEU MD2 6.500 . 6.500 5.549 4.862 6.348 . 0 0 "[ . 1 . ]" 1
86 1 29 SER H 1 30 SER H 4.500 . 4.500 4.159 2.540 4.604 0.104 10 0 "[ . 1 . ]" 1
87 1 29 SER H 1 31 GLY H 5.500 . 5.500 4.221 2.792 5.080 . 0 0 "[ . 1 . ]" 1
88 1 29 SER HA 1 32 ASN H 4.500 . 4.500 4.320 3.133 4.861 0.361 13 0 "[ . 1 . ]" 1
89 1 30 SER H 1 31 GLY H 4.500 . 4.500 2.497 1.332 3.481 . 0 0 "[ . 1 . ]" 1
90 1 30 SER H 1 32 ASN H 5.500 . 5.500 3.339 2.534 4.143 . 0 0 "[ . 1 . ]" 1
91 1 30 SER H 1 33 GLU H 6.500 . 6.500 4.216 2.532 5.603 . 0 0 "[ . 1 . ]" 1
92 1 30 SER H 1 34 GLN H 5.500 . 5.500 5.343 3.834 5.997 0.497 10 0 "[ . 1 . ]" 1
93 1 30 SER HA 1 33 GLU H 4.500 . 4.500 4.389 3.562 4.677 0.177 11 0 "[ . 1 . ]" 1
94 1 31 GLY H 1 32 ASN H 4.500 . 4.500 2.143 1.513 3.292 . 0 0 "[ . 1 . ]" 1
95 1 31 GLY H 1 32 ASN QB 5.500 . 5.500 4.297 3.357 5.303 . 0 0 "[ . 1 . ]" 1
96 1 31 GLY H 1 33 GLU H 4.500 . 4.500 3.433 2.491 3.948 . 0 0 "[ . 1 . ]" 1
97 1 31 GLY H 1 33 GLU QB 5.500 . 5.500 4.550 3.431 5.319 . 0 0 "[ . 1 . ]" 1
98 1 31 GLY H 1 33 GLU QG 5.500 . 5.500 4.626 3.325 5.781 0.281 16 0 "[ . 1 . ]" 1
99 1 31 GLY H 1 34 GLN H 5.500 . 5.500 5.104 3.810 5.762 0.262 11 0 "[ . 1 . ]" 1
100 1 31 GLY H 1 36 LEU QD 6.500 . 6.500 5.979 5.501 6.583 0.083 5 0 "[ . 1 . ]" 1
101 1 31 GLY QA 1 32 ASN H . . 3.000 2.799 2.381 3.050 0.050 18 0 "[ . 1 . ]" 1
102 1 31 GLY QA 1 33 GLU H 4.500 . 4.500 3.380 2.629 4.323 . 0 0 "[ . 1 . ]" 1
103 1 31 GLY QA 1 34 GLN H 4.500 . 4.500 4.860 4.257 5.284 0.784 12 7 "[ . 1*+****- ]" 1
104 1 32 ASN H 1 33 GLU H 4.500 . 4.500 2.110 1.362 2.788 . 0 0 "[ . 1 . ]" 1
105 1 32 ASN H 1 33 GLU HA 4.500 . 4.500 4.673 3.977 4.980 0.480 12 0 "[ . 1 . ]" 1
106 1 32 ASN H 1 34 GLN H 4.500 . 4.500 3.537 2.750 4.525 0.025 4 0 "[ . 1 . ]" 1
107 1 32 ASN H 1 35 GLU H 5.500 . 5.500 5.187 4.437 5.742 0.242 14 0 "[ . 1 . ]" 1
108 1 32 ASN H 1 36 LEU QD 6.500 . 6.500 4.899 4.364 5.779 . 0 0 "[ . 1 . ]" 1
109 1 32 ASN HA 1 34 GLN H 4.500 . 4.500 3.205 2.555 4.142 . 0 0 "[ . 1 . ]" 1
110 1 32 ASN HA 1 35 GLU H 4.500 . 4.500 3.417 2.882 3.902 . 0 0 "[ . 1 . ]" 1
111 1 32 ASN QB 1 33 GLU H 3.500 . 3.500 3.536 2.824 3.930 0.430 13 0 "[ . 1 . ]" 1
112 1 32 ASN QB 1 34 GLN H 4.500 . 4.500 4.527 3.989 5.163 0.663 9 2 "[- . +1 . ]" 1
113 1 32 ASN QB 1 35 GLU H 4.500 . 4.500 4.339 3.311 4.975 0.475 10 0 "[ . 1 . ]" 1
114 1 33 GLU H 1 33 GLU HA 3.000 . 3.000 2.754 2.665 2.850 . 0 0 "[ . 1 . ]" 1
115 1 33 GLU H 1 34 GLN H 3.000 . 3.000 2.374 2.201 2.768 . 0 0 "[ . 1 . ]" 1
116 1 33 GLU H 1 35 GLU H 4.500 . 4.500 4.502 4.129 4.764 0.264 18 0 "[ . 1 . ]" 1
117 1 33 GLU H 1 36 LEU MD1 4.500 . 4.500 4.519 3.830 4.871 0.371 10 0 "[ . 1 . ]" 1
118 1 33 GLU H 1 36 LEU HG 4.500 . 4.500 4.561 4.331 4.820 0.320 3 0 "[ . 1 . ]" 1
119 1 34 GLN H 1 34 GLN HA 3.000 . 3.000 2.918 2.837 3.008 0.008 16 0 "[ . 1 . ]" 1
120 1 34 GLN H 1 35 GLU H 3.000 . 3.000 2.862 2.669 2.984 . 0 0 "[ . 1 . ]" 1
121 1 34 GLN H 1 36 LEU H 4.500 . 4.500 4.267 3.844 4.656 0.156 1 0 "[ . 1 . ]" 1
122 1 34 GLN H 1 36 LEU QD 6.500 . 6.500 4.406 4.025 4.759 . 0 0 "[ . 1 . ]" 1
123 1 34 GLN H 1 36 LEU HG 4.500 . 4.500 4.468 4.222 4.777 0.277 1 0 "[ . 1 . ]" 1
124 1 35 GLU H 1 36 LEU H 3.000 . 3.000 2.663 2.232 2.963 . 0 0 "[ . 1 . ]" 1
125 1 35 GLU H 1 38 GLU H 4.500 . 4.500 4.722 4.609 4.882 0.382 10 0 "[ . 1 . ]" 1
126 1 36 LEU H 1 38 GLU H 4.500 . 4.500 4.074 3.637 4.323 . 0 0 "[ . 1 . ]" 1
127 1 38 GLU H 1 39 LEU H 3.000 . 3.000 2.632 2.497 2.821 . 0 0 "[ . 1 . ]" 1
128 1 38 GLU H 1 40 ASP H 4.500 . 4.500 4.293 4.192 4.486 . 0 0 "[ . 1 . ]" 1
129 1 38 GLU H 1 40 ASP QB . . 4.500 4.829 4.778 4.922 0.422 2 0 "[ . 1 . ]" 1
130 1 38 GLU H 1 42 TRP HE1 4.750 . 4.750 5.058 4.842 5.200 0.450 5 0 "[ . 1 . ]" 1
131 1 38 GLU H 3 39 LEU MD2 6.500 . 6.500 6.092 5.143 6.554 0.054 16 0 "[ . 1 . ]" 1
132 1 39 LEU H 1 40 ASP H 4.500 . 4.500 2.925 2.867 3.009 . 0 0 "[ . 1 . ]" 1
133 1 39 LEU H 1 40 ASP QB 4.500 . 4.500 4.426 4.329 4.527 0.027 6 0 "[ . 1 . ]" 1
134 1 39 LEU H 1 41 LYS H 4.500 . 4.500 4.402 4.236 4.575 0.075 12 0 "[ . 1 . ]" 1
135 1 39 LEU H 1 42 TRP H 6.500 . 6.500 5.079 4.682 5.480 . 0 0 "[ . 1 . ]" 1
136 1 39 LEU H 1 42 TRP HE1 5.500 . 5.500 4.188 3.386 4.723 . 0 0 "[ . 1 . ]" 1
137 1 39 LEU MD1 2 42 TRP HE1 6.500 . 6.500 5.865 4.858 6.539 0.039 9 0 "[ . 1 . ]" 1
138 1 39 LEU MD2 2 38 GLU H 6.500 . 6.500 6.101 5.287 6.545 0.045 16 0 "[ . 1 . ]" 1
139 1 39 LEU HG 1 40 ASP H 4.500 . 4.500 3.861 2.084 4.494 . 0 0 "[ . 1 . ]" 1
140 1 40 ASP H 1 42 TRP H 4.500 . 4.500 4.427 4.185 4.617 0.117 10 0 "[ . 1 . ]" 1
141 1 40 ASP H 1 43 ALA H 5.500 . 5.500 5.363 5.004 5.590 0.090 3 0 "[ . 1 . ]" 1
142 1 40 ASP QB 1 43 ALA H 5.500 . 5.500 5.414 5.141 5.576 0.076 16 0 "[ . 1 . ]" 1
143 1 41 LYS H 1 43 ALA H 5.500 . 5.500 4.443 4.209 4.628 . 0 0 "[ . 1 . ]" 1
144 1 42 TRP H 1 42 TRP HE1 4.500 . 4.500 4.014 3.694 4.234 . 0 0 "[ . 1 . ]" 1
145 1 42 TRP H 1 43 ALA H 3.000 . 3.000 2.783 2.690 2.866 . 0 0 "[ . 1 . ]" 1
146 1 42 TRP H 1 44 SER H 4.500 . 4.500 4.302 4.050 4.504 0.004 9 0 "[ . 1 . ]" 1
147 1 42 TRP H 1 45 LEU H 5.500 . 5.500 5.245 4.845 5.518 0.018 3 0 "[ . 1 . ]" 1
148 1 42 TRP QB 1 43 ALA H 6.500 . 6.500 2.801 2.616 3.844 . 0 0 "[ . 1 . ]" 1
149 1 42 TRP HE1 1 43 ALA H 6.500 . 6.500 6.447 5.212 6.735 0.235 2 0 "[ . 1 . ]" 1
150 1 42 TRP HE1 3 39 LEU MD1 6.500 . 6.500 5.858 4.907 6.540 0.040 9 0 "[ . 1 . ]" 1
151 1 43 ALA H 1 43 ALA MB 3.000 . 3.000 2.160 2.044 2.226 . 0 0 "[ . 1 . ]" 1
152 1 43 ALA H 1 44 SER H 4.500 . 4.500 2.620 2.521 2.700 . 0 0 "[ . 1 . ]" 1
153 1 43 ALA H 1 45 LEU H 4.500 . 4.500 4.456 4.150 4.709 0.209 1 0 "[ . 1 . ]" 1
154 1 43 ALA H 1 46 TRP H 5.500 . 5.500 4.766 4.601 4.929 . 0 0 "[ . 1 . ]" 1
155 1 43 ALA H 1 47 ASN H 5.500 . 5.500 5.738 5.619 5.925 0.425 4 0 "[ . 1 . ]" 1
156 1 44 SER H 1 45 LEU H 4.500 . 4.500 2.909 2.714 3.092 . 0 0 "[ . 1 . ]" 1
157 1 44 SER H 1 46 TRP H 4.500 . 4.500 4.117 4.009 4.219 . 0 0 "[ . 1 . ]" 1
158 1 44 SER H 1 47 ASN H 4.500 . 4.500 4.563 4.482 4.681 0.181 2 0 "[ . 1 . ]" 1
159 1 45 LEU H 1 46 TRP H 4.500 . 4.500 2.593 2.522 2.686 . 0 0 "[ . 1 . ]" 1
160 1 45 LEU H 1 47 ASN H 4.500 . 4.500 4.163 3.923 4.400 . 0 0 "[ . 1 . ]" 1
161 1 45 LEU QB 1 48 TRP HE1 4.500 . 4.500 4.703 4.411 5.016 0.516 6 1 "[ .+ 1 . ]" 1
162 1 46 TRP H 1 47 ASN H 4.500 . 4.500 2.695 2.563 2.803 . 0 0 "[ . 1 . ]" 1
163 1 47 ASN H 1 48 TRP H 4.500 . 4.500 2.893 2.635 3.207 . 0 0 "[ . 1 . ]" 1
164 1 47 ASN H 1 50 ASN H 5.500 . 5.500 5.639 5.527 5.825 0.325 2 0 "[ . 1 . ]" 1
165 1 48 TRP H 1 48 TRP HA 3.000 . 3.000 2.914 2.817 3.012 0.012 18 0 "[ . 1 . ]" 1
166 1 48 TRP H 1 48 TRP HE1 5.500 . 5.500 5.324 4.602 5.650 0.150 1 0 "[ . 1 . ]" 1
167 1 48 TRP H 1 49 PHE H 4.500 . 4.500 2.570 2.327 2.750 . 0 0 "[ . 1 . ]" 1
168 1 48 TRP H 1 50 ASN H 4.500 . 4.500 4.270 3.996 4.465 . 0 0 "[ . 1 . ]" 1
169 1 48 TRP HE1 1 49 PHE H 6.500 . 6.500 4.324 3.855 4.808 . 0 0 "[ . 1 . ]" 1
170 1 48 TRP HE1 1 51 ILE QG 6.000 . 6.000 5.891 5.238 6.399 0.399 18 0 "[ . 1 . ]" 1
171 1 48 TRP HE1 1 51 ILE MG 5.500 . 5.500 5.734 4.931 6.010 0.510 4 2 "[ +. -1 . ]" 1
172 1 49 PHE H 1 50 ASN H 4.500 . 4.500 2.756 2.453 3.039 . 0 0 "[ . 1 . ]" 1
173 1 49 PHE H 1 51 ILE H 5.500 . 5.500 4.499 3.989 4.823 . 0 0 "[ . 1 . ]" 1
174 1 50 ASN H 1 51 ILE H 4.500 . 4.500 2.507 2.181 2.737 . 0 0 "[ . 1 . ]" 1
175 1 50 ASN H 1 52 THR H 4.500 . 4.500 4.330 4.104 4.475 . 0 0 "[ . 1 . ]" 1
176 1 50 ASN H 1 53 ASN H 4.500 . 4.500 4.710 4.610 4.892 0.392 4 0 "[ . 1 . ]" 1
177 1 50 ASN H 1 54 TRP HE1 4.500 . 4.500 4.670 4.523 4.914 0.414 6 0 "[ . 1 . ]" 1
178 1 51 ILE H 1 52 THR H 4.500 . 4.500 2.690 2.560 2.871 . 0 0 "[ . 1 . ]" 1
179 1 51 ILE H 1 53 ASN H 4.500 . 4.500 3.921 3.636 4.358 . 0 0 "[ . 1 . ]" 1
180 1 51 ILE H 1 54 TRP HE1 6.500 . 6.500 4.170 3.106 5.331 . 0 0 "[ . 1 . ]" 1
181 1 51 ILE HA 1 54 TRP H 5.500 . 5.500 4.164 3.600 5.282 . 0 0 "[ . 1 . ]" 1
182 1 52 THR H 1 53 ASN H 4.500 . 4.500 2.389 2.228 2.653 . 0 0 "[ . 1 . ]" 1
183 1 52 THR H 1 54 TRP H 4.500 . 4.500 4.565 4.325 4.726 0.226 3 0 "[ . 1 . ]" 1
184 1 52 THR H 1 55 LEU H 6.500 . 6.500 4.996 4.810 5.515 . 0 0 "[ . 1 . ]" 1
185 1 53 ASN H 1 54 TRP H 4.500 . 4.500 2.878 2.639 3.182 . 0 0 "[ . 1 . ]" 1
186 1 53 ASN H 1 55 LEU H 4.500 . 4.500 4.026 3.788 4.553 0.053 4 0 "[ . 1 . ]" 1
187 1 53 ASN QB 1 54 TRP H 4.500 . 4.500 2.659 2.283 3.449 . 0 0 "[ . 1 . ]" 1
188 1 54 TRP H 1 54 TRP HE1 4.500 . 4.500 3.834 3.530 4.416 . 0 0 "[ . 1 . ]" 1
189 1 54 TRP H 1 55 LEU H 4.500 . 4.500 2.480 2.411 2.627 . 0 0 "[ . 1 . ]" 1
190 1 54 TRP H 1 56 TRP H 4.500 . 4.500 4.652 4.564 4.787 0.287 8 0 "[ . 1 . ]" 1
191 1 54 TRP H 1 57 TYR H 5.500 . 5.500 5.184 4.969 5.692 0.192 6 0 "[ . 1 . ]" 1
192 1 54 TRP HA 1 57 TYR H 6.500 . 6.500 3.205 2.885 3.676 . 0 0 "[ . 1 . ]" 1
193 1 54 TRP HE1 1 55 LEU H 6.500 . 6.500 5.723 4.872 6.553 0.053 15 0 "[ . 1 . ]" 1
194 1 55 LEU H 1 56 TRP H 4.500 . 4.500 2.920 2.801 3.072 . 0 0 "[ . 1 . ]" 1
195 1 55 LEU H 1 57 TYR H 4.500 . 4.500 4.099 3.938 4.394 . 0 0 "[ . 1 . ]" 1
196 1 55 LEU H 1 58 ILE H 6.500 . 6.500 4.894 4.699 5.374 . 0 0 "[ . 1 . ]" 1
197 1 56 TRP H 1 56 TRP HE1 4.500 . 4.500 4.408 3.782 4.598 0.098 12 0 "[ . 1 . ]" 1
198 1 56 TRP H 1 57 TYR H 3.000 . 3.000 2.608 2.460 2.762 . 0 0 "[ . 1 . ]" 1
199 1 56 TRP H 1 58 ILE H 4.500 . 4.500 4.540 4.371 4.692 0.192 8 0 "[ . 1 . ]" 1
200 1 56 TRP H 1 59 LYS H 4.500 . 4.500 4.624 4.548 4.737 0.237 6 0 "[ . 1 . ]" 1
201 1 57 TYR H 1 58 ILE H 3.000 . 3.000 2.768 2.560 2.842 . 0 0 "[ . 1 . ]" 1
202 1 57 TYR H 1 59 LYS H 4.500 . 4.500 3.717 3.420 3.979 . 0 0 "[ . 1 . ]" 1
203 1 58 ILE H 1 59 LYS H 3.000 . 3.000 2.585 2.310 2.775 . 0 0 "[ . 1 . ]" 1
204 2 5 GLU H 2 6 ALA H 5.500 . 5.500 1.770 1.663 1.894 . 0 0 "[ . 1 . ]" 1
205 2 5 GLU H 2 20 TRP HE1 4.500 . 4.500 4.171 3.513 4.601 0.101 15 0 "[ . 1 . ]" 1
206 2 5 GLU H 3 3 ILE MD 4.500 . 4.500 4.390 4.219 4.543 0.043 15 0 "[ . 1 . ]" 1
207 2 6 ALA H 2 20 TRP HE1 5.500 . 5.500 5.121 4.200 5.479 . 0 0 "[ . 1 . ]" 1
208 2 8 ARG H 2 9 ASP H 4.500 . 4.500 4.205 4.084 4.305 . 0 0 "[ . 1 . ]" 1
209 2 8 ARG H 2 10 GLY H 5.500 . 5.500 5.580 5.527 5.641 0.141 1 0 "[ . 1 . ]" 1
210 2 8 ARG QD 3 18 GLY H 4.500 . 4.500 2.846 2.397 4.486 . 0 0 "[ . 1 . ]" 1
211 2 9 ASP H 2 10 GLY H 4.500 . 4.500 1.525 1.330 1.741 . 0 0 "[ . 1 . ]" 1
212 2 9 ASP H 2 11 GLN H 4.500 . 4.500 3.150 3.012 3.418 . 0 0 "[ . 1 . ]" 1
213 2 9 ASP H 3 17 ASP H 3.500 . 3.500 3.562 3.509 3.606 0.106 8 0 "[ . 1 . ]" 1
214 2 10 GLY H 2 11 GLN H 4.500 . 4.500 2.637 2.541 2.716 . 0 0 "[ . 1 . ]" 1
215 2 10 GLY H 3 17 ASP H 4.500 . 4.500 3.197 2.870 3.484 . 0 0 "[ . 1 . ]" 1
216 2 11 GLN H 2 12 ALA H 6.500 . 6.500 4.633 4.526 4.778 . 0 0 "[ . 1 . ]" 1
217 2 12 ALA H 2 13 TYR H 5.500 . 5.500 4.561 4.478 4.667 . 0 0 "[ . 1 . ]" 1
218 2 12 ALA H 2 22 LEU MD2 4.500 . 4.500 3.747 2.513 4.824 0.324 10 0 "[ . 1 . ]" 1
219 2 12 ALA H 2 23 LEU H 5.500 . 5.500 5.109 4.719 5.437 . 0 0 "[ . 1 . ]" 1
220 2 12 ALA H 2 24 SER H 5.500 . 5.500 5.621 5.303 5.774 0.274 1 0 "[ . 1 . ]" 1
221 2 13 TYR H 2 14 VAL H 4.500 . 4.500 4.247 4.110 4.326 . 0 0 "[ . 1 . ]" 1
222 2 13 TYR H 2 21 VAL H 5.500 . 5.500 5.783 5.727 5.878 0.378 7 0 "[ . 1 . ]" 1
223 2 13 TYR H 2 23 LEU H 5.500 . 5.500 4.362 4.081 4.689 . 0 0 "[ . 1 . ]" 1
224 2 13 TYR H 3 14 VAL MG2 4.500 . 4.500 2.821 2.335 3.884 . 0 0 "[ . 1 . ]" 1
225 2 13 TYR H 3 15 ARG H 3.500 . 3.500 3.522 3.191 3.684 0.184 17 0 "[ . 1 . ]" 1
226 2 14 VAL H 2 15 ARG H 4.500 . 4.500 4.564 4.509 4.624 0.124 2 0 "[ . 1 . ]" 1
227 2 14 VAL H 2 16 LYS H 5.500 . 5.500 5.583 5.433 5.700 0.200 4 0 "[ . 1 . ]" 1
228 2 14 VAL H 2 20 TRP H 6.500 . 6.500 6.586 6.066 6.909 0.409 8 0 "[ . 1 . ]" 1
229 2 14 VAL H 2 21 VAL H 3.000 . 3.000 2.347 1.825 2.725 . 0 0 "[ . 1 . ]" 1
230 2 14 VAL H 2 22 LEU H 4.500 . 4.500 4.785 4.711 4.888 0.388 10 0 "[ . 1 . ]" 1
231 2 14 VAL H 2 23 LEU H 4.500 . 4.500 4.022 3.546 4.651 0.151 6 0 "[ . 1 . ]" 1
232 2 14 VAL H 3 14 VAL MG2 4.500 . 4.500 4.437 4.166 4.639 0.139 12 0 "[ . 1 . ]" 1
233 2 14 VAL H 3 15 ARG H 5.500 . 5.500 5.763 5.617 5.990 0.490 4 0 "[ . 1 . ]" 1
234 2 15 ARG H 2 16 LYS H 5.500 . 5.500 4.385 4.268 4.499 . 0 0 "[ . 1 . ]" 1
235 2 15 ARG H 2 21 VAL H 5.500 . 5.500 5.446 5.140 5.551 0.051 10 0 "[ . 1 . ]" 1
236 2 16 LYS H 2 17 ASP H 6.500 . 6.500 4.267 4.177 4.354 . 0 0 "[ . 1 . ]" 1
237 2 16 LYS H 2 18 GLY H 4.500 . 4.500 3.904 3.697 4.105 . 0 0 "[ . 1 . ]" 1
238 2 16 LYS H 2 19 GLU H 3.000 . 3.000 2.610 2.295 2.782 . 0 0 "[ . 1 . ]" 1
239 2 16 LYS H 2 20 TRP H 5.500 . 5.500 5.408 5.095 5.622 0.122 14 0 "[ . 1 . ]" 1
240 2 16 LYS H 2 21 VAL H 4.500 . 4.500 4.488 4.290 4.591 0.091 6 0 "[ . 1 . ]" 1
241 2 17 ASP H 2 18 GLY H 5.500 . 5.500 3.167 3.120 3.274 . 0 0 "[ . 1 . ]" 1
242 2 17 ASP H 2 19 GLU H 6.500 . 6.500 4.568 4.415 4.729 . 0 0 "[ . 1 . ]" 1
243 2 18 GLY H 2 19 GLU H 4.500 . 4.500 2.920 2.828 2.996 . 0 0 "[ . 1 . ]" 1
244 2 19 GLU H 2 20 TRP H 4.500 . 4.500 4.302 4.207 4.366 . 0 0 "[ . 1 . ]" 1
245 2 19 GLU H 2 21 VAL H 5.500 . 5.500 5.658 5.594 5.767 0.267 11 0 "[ . 1 . ]" 1
246 2 20 TRP H 2 20 TRP HE1 5.500 . 5.500 4.421 3.950 5.336 . 0 0 "[ . 1 . ]" 1
247 2 20 TRP H 2 21 VAL H 4.500 . 4.500 4.418 4.307 4.567 0.067 11 0 "[ . 1 . ]" 1
248 2 21 VAL H 2 22 LEU H 4.500 . 4.500 4.290 4.176 4.350 . 0 0 "[ . 1 . ]" 1
249 2 21 VAL H 2 23 LEU H 5.500 . 5.500 5.595 5.515 5.704 0.204 11 0 "[ . 1 . ]" 1
250 2 22 LEU H 2 23 LEU H 4.500 . 4.500 4.317 4.264 4.395 . 0 0 "[ . 1 . ]" 1
251 2 22 LEU H 2 24 SER H 5.500 . 5.500 5.607 5.407 5.699 0.199 4 0 "[ . 1 . ]" 1
252 2 22 LEU H 2 25 THR H 5.500 . 5.500 5.220 5.047 5.455 . 0 0 "[ . 1 . ]" 1
253 2 23 LEU H 2 24 SER H 4.500 . 4.500 2.755 2.645 3.007 . 0 0 "[ . 1 . ]" 1
254 2 23 LEU H 2 25 THR H 4.500 . 4.500 4.491 4.322 4.650 0.150 16 0 "[ . 1 . ]" 1
255 2 23 LEU H 2 26 PHE H 6.500 . 6.500 5.482 5.272 5.639 . 0 0 "[ . 1 . ]" 1
256 2 23 LEU H 2 27 LEU H 6.500 . 6.500 6.464 6.140 6.709 0.209 12 0 "[ . 1 . ]" 1
257 2 23 LEU H 3 14 VAL MG2 4.500 . 4.500 4.528 4.398 4.644 0.144 2 0 "[ . 1 . ]" 1
258 2 24 SER H 2 25 THR H 4.500 . 4.500 3.025 2.741 3.220 . 0 0 "[ . 1 . ]" 1
259 2 24 SER H 2 26 PHE H 5.500 . 5.500 4.337 4.199 4.416 . 0 0 "[ . 1 . ]" 1
260 2 24 SER H 2 27 LEU H 4.500 . 4.500 4.710 4.468 4.964 0.464 3 0 "[ . 1 . ]" 1
261 2 24 SER H 2 28 GLY H 6.500 . 6.500 6.055 5.093 6.593 0.093 5 0 "[ . 1 . ]" 1
262 2 25 THR H 2 26 PHE H 4.500 . 4.500 2.498 2.369 2.577 . 0 0 "[ . 1 . ]" 1
263 2 25 THR H 2 27 LEU H 4.500 . 4.500 3.943 3.756 4.385 . 0 0 "[ . 1 . ]" 1
264 2 25 THR H 2 28 GLY H 5.500 . 5.500 4.929 4.530 5.373 . 0 0 "[ . 1 . ]" 1
265 2 25 THR HA 2 28 GLY H 4.500 . 4.500 3.970 3.414 4.650 0.150 4 0 "[ . 1 . ]" 1
266 2 26 PHE H 2 27 LEU H 3.000 . 3.000 2.311 2.058 2.604 . 0 0 "[ . 1 . ]" 1
267 2 26 PHE H 2 28 GLY H 4.500 . 4.500 3.930 3.544 4.576 0.076 4 0 "[ . 1 . ]" 1
268 2 26 PHE H 2 29 SER H 6.500 . 6.500 6.046 5.017 6.645 0.145 12 0 "[ . 1 . ]" 1
269 2 27 LEU H 2 28 GLY H 4.500 . 4.500 2.387 2.075 2.792 . 0 0 "[ . 1 . ]" 1
270 2 27 LEU H 2 29 SER H 5.500 . 5.500 4.640 3.551 5.534 0.034 15 0 "[ . 1 . ]" 1
271 2 27 LEU HA 2 28 GLY H 4.500 . 4.500 3.520 3.405 3.587 . 0 0 "[ . 1 . ]" 1
272 2 27 LEU QB 2 28 GLY H 4.500 . 4.500 2.656 2.106 2.958 . 0 0 "[ . 1 . ]" 1
273 2 27 LEU QB 2 29 SER H . . 4.500 3.542 1.952 4.781 0.281 17 0 "[ . 1 . ]" 1
274 2 27 LEU QD 3 27 LEU H 5.500 . 5.500 4.229 3.238 4.977 . 0 0 "[ . 1 . ]" 1
275 2 27 LEU MD2 3 26 PHE H 5.500 . 5.500 5.422 4.522 5.643 0.143 3 0 "[ . 1 . ]" 1
276 2 27 LEU MD2 3 28 GLY H 6.500 . 6.500 5.542 4.846 6.328 . 0 0 "[ . 1 . ]" 1
277 2 28 GLY H 2 29 SER H 4.500 . 4.500 2.683 1.943 3.266 . 0 0 "[ . 1 . ]" 1
278 2 29 SER H 2 30 SER H 4.500 . 4.500 4.159 2.542 4.603 0.103 10 0 "[ . 1 . ]" 1
279 2 29 SER H 2 31 GLY H 5.500 . 5.500 4.221 2.794 5.080 . 0 0 "[ . 1 . ]" 1
280 2 29 SER HA 2 32 ASN H 4.500 . 4.500 4.320 3.130 4.861 0.361 13 0 "[ . 1 . ]" 1
281 2 30 SER H 2 31 GLY H 4.500 . 4.500 2.497 1.333 3.482 . 0 0 "[ . 1 . ]" 1
282 2 30 SER H 2 32 ASN H 5.500 . 5.500 3.339 2.534 4.142 . 0 0 "[ . 1 . ]" 1
283 2 30 SER H 2 33 GLU H 6.500 . 6.500 4.216 2.533 5.600 . 0 0 "[ . 1 . ]" 1
284 2 30 SER H 2 34 GLN H 5.500 . 5.500 5.343 3.834 5.995 0.495 10 0 "[ . 1 . ]" 1
285 2 30 SER HA 2 33 GLU H 4.500 . 4.500 4.388 3.560 4.678 0.178 11 0 "[ . 1 . ]" 1
286 2 31 GLY H 2 32 ASN H 4.500 . 4.500 2.142 1.513 3.284 . 0 0 "[ . 1 . ]" 1
287 2 31 GLY H 2 32 ASN QB 5.500 . 5.500 4.297 3.358 5.308 . 0 0 "[ . 1 . ]" 1
288 2 31 GLY H 2 33 GLU H 4.500 . 4.500 3.433 2.491 3.949 . 0 0 "[ . 1 . ]" 1
289 2 31 GLY H 2 33 GLU QB 5.500 . 5.500 4.550 3.431 5.320 . 0 0 "[ . 1 . ]" 1
290 2 31 GLY H 2 33 GLU QG 5.500 . 5.500 4.626 3.325 5.782 0.282 16 0 "[ . 1 . ]" 1
291 2 31 GLY H 2 34 GLN H 5.500 . 5.500 5.104 3.812 5.763 0.263 11 0 "[ . 1 . ]" 1
292 2 31 GLY H 2 36 LEU QD 6.500 . 6.500 5.979 5.501 6.584 0.084 5 0 "[ . 1 . ]" 1
293 2 31 GLY QA 2 32 ASN H . . 3.000 2.798 2.375 3.050 0.050 18 0 "[ . 1 . ]" 1
294 2 31 GLY QA 2 33 GLU H 4.500 . 4.500 3.380 2.629 4.323 . 0 0 "[ . 1 . ]" 1
295 2 31 GLY QA 2 34 GLN H 4.500 . 4.500 4.861 4.257 5.285 0.785 12 7 "[ . 1*+****- ]" 1
296 2 32 ASN H 2 33 GLU H 4.500 . 4.500 2.110 1.362 2.787 . 0 0 "[ . 1 . ]" 1
297 2 32 ASN H 2 33 GLU HA 4.500 . 4.500 4.673 3.977 4.980 0.480 12 0 "[ . 1 . ]" 1
298 2 32 ASN H 2 34 GLN H 4.500 . 4.500 3.537 2.753 4.526 0.026 4 0 "[ . 1 . ]" 1
299 2 32 ASN H 2 35 GLU H 5.500 . 5.500 5.187 4.440 5.742 0.242 14 0 "[ . 1 . ]" 1
300 2 32 ASN H 2 36 LEU QD 6.500 . 6.500 4.899 4.364 5.779 . 0 0 "[ . 1 . ]" 1
301 2 32 ASN HA 2 34 GLN H 4.500 . 4.500 3.205 2.554 4.140 . 0 0 "[ . 1 . ]" 1
302 2 32 ASN HA 2 35 GLU H 4.500 . 4.500 3.417 2.884 3.897 . 0 0 "[ . 1 . ]" 1
303 2 32 ASN QB 2 33 GLU H 3.500 . 3.500 3.536 2.825 3.928 0.428 13 0 "[ . 1 . ]" 1
304 2 32 ASN QB 2 34 GLN H 4.500 . 4.500 4.527 3.990 5.161 0.661 9 2 "[- . +1 . ]" 1
305 2 32 ASN QB 2 35 GLU H 4.500 . 4.500 4.339 3.310 4.975 0.475 10 0 "[ . 1 . ]" 1
306 2 33 GLU H 2 33 GLU HA 3.000 . 3.000 2.754 2.664 2.848 . 0 0 "[ . 1 . ]" 1
307 2 33 GLU H 2 34 GLN H 3.000 . 3.000 2.374 2.203 2.768 . 0 0 "[ . 1 . ]" 1
308 2 33 GLU H 2 35 GLU H 4.500 . 4.500 4.503 4.127 4.765 0.265 18 0 "[ . 1 . ]" 1
309 2 33 GLU H 2 36 LEU MD1 4.500 . 4.500 4.519 3.831 4.873 0.373 10 0 "[ . 1 . ]" 1
310 2 33 GLU H 2 36 LEU HG 4.500 . 4.500 4.561 4.331 4.820 0.320 2 0 "[ . 1 . ]" 1
311 2 34 GLN H 2 34 GLN HA 3.000 . 3.000 2.918 2.837 3.008 0.008 16 0 "[ . 1 . ]" 1
312 2 34 GLN H 2 35 GLU H 3.000 . 3.000 2.862 2.670 2.984 . 0 0 "[ . 1 . ]" 1
313 2 34 GLN H 2 36 LEU H 4.500 . 4.500 4.268 3.844 4.658 0.158 1 0 "[ . 1 . ]" 1
314 2 34 GLN H 2 36 LEU QD 6.500 . 6.500 4.406 4.026 4.759 . 0 0 "[ . 1 . ]" 1
315 2 34 GLN H 2 36 LEU HG 4.500 . 4.500 4.468 4.221 4.775 0.275 1 0 "[ . 1 . ]" 1
316 2 35 GLU H 2 36 LEU H 3.000 . 3.000 2.663 2.236 2.964 . 0 0 "[ . 1 . ]" 1
317 2 35 GLU H 2 38 GLU H 4.500 . 4.500 4.722 4.608 4.883 0.383 10 0 "[ . 1 . ]" 1
318 2 36 LEU H 2 38 GLU H 4.500 . 4.500 4.075 3.637 4.328 . 0 0 "[ . 1 . ]" 1
319 2 38 GLU H 2 39 LEU H 3.000 . 3.000 2.632 2.497 2.823 . 0 0 "[ . 1 . ]" 1
320 2 38 GLU H 2 40 ASP H 4.500 . 4.500 4.294 4.192 4.485 . 0 0 "[ . 1 . ]" 1
321 2 38 GLU H 2 40 ASP QB . . 4.500 4.830 4.779 4.921 0.421 2 0 "[ . 1 . ]" 1
322 2 38 GLU H 2 42 TRP HE1 4.750 . 4.750 5.057 4.841 5.200 0.450 5 0 "[ . 1 . ]" 1
323 2 39 LEU H 2 40 ASP H 4.500 . 4.500 2.925 2.868 3.010 . 0 0 "[ . 1 . ]" 1
324 2 39 LEU H 2 40 ASP QB 4.500 . 4.500 4.427 4.329 4.526 0.026 6 0 "[ . 1 . ]" 1
325 2 39 LEU H 2 41 LYS H 4.500 . 4.500 4.402 4.236 4.575 0.075 12 0 "[ . 1 . ]" 1
326 2 39 LEU H 2 42 TRP H 6.500 . 6.500 5.078 4.682 5.481 . 0 0 "[ . 1 . ]" 1
327 2 39 LEU H 2 42 TRP HE1 5.500 . 5.500 4.187 3.384 4.724 . 0 0 "[ . 1 . ]" 1
328 2 39 LEU MD1 3 42 TRP HE1 6.500 . 6.500 5.832 4.870 6.509 0.009 9 0 "[ . 1 . ]" 1
329 2 39 LEU MD2 3 38 GLU H 6.500 . 6.500 6.069 5.048 6.528 0.028 16 0 "[ . 1 . ]" 1
330 2 39 LEU HG 2 40 ASP H 4.500 . 4.500 3.861 2.084 4.495 . 0 0 "[ . 1 . ]" 1
331 2 40 ASP H 2 42 TRP H 4.500 . 4.500 4.428 4.183 4.618 0.118 10 0 "[ . 1 . ]" 1
332 2 40 ASP H 2 43 ALA H 5.500 . 5.500 5.363 5.004 5.590 0.090 3 0 "[ . 1 . ]" 1
333 2 40 ASP QB 2 43 ALA H 5.500 . 5.500 5.414 5.142 5.576 0.076 16 0 "[ . 1 . ]" 1
334 2 41 LYS H 2 43 ALA H 5.500 . 5.500 4.444 4.210 4.629 . 0 0 "[ . 1 . ]" 1
335 2 42 TRP H 2 42 TRP HE1 4.500 . 4.500 4.013 3.693 4.234 . 0 0 "[ . 1 . ]" 1
336 2 42 TRP H 2 43 ALA H 3.000 . 3.000 2.783 2.690 2.868 . 0 0 "[ . 1 . ]" 1
337 2 42 TRP H 2 44 SER H 4.500 . 4.500 4.303 4.049 4.506 0.006 9 0 "[ . 1 . ]" 1
338 2 42 TRP H 2 45 LEU H 5.500 . 5.500 5.245 4.844 5.518 0.018 3 0 "[ . 1 . ]" 1
339 2 42 TRP QB 2 43 ALA H 6.500 . 6.500 2.801 2.613 3.842 . 0 0 "[ . 1 . ]" 1
340 2 42 TRP HE1 2 43 ALA H 6.500 . 6.500 6.448 5.212 6.734 0.234 2 0 "[ . 1 . ]" 1
341 2 43 ALA H 2 43 ALA MB 3.000 . 3.000 2.159 2.044 2.221 . 0 0 "[ . 1 . ]" 1
342 2 43 ALA H 2 44 SER H 4.500 . 4.500 2.620 2.522 2.701 . 0 0 "[ . 1 . ]" 1
343 2 43 ALA H 2 45 LEU H 4.500 . 4.500 4.456 4.148 4.709 0.209 1 0 "[ . 1 . ]" 1
344 2 43 ALA H 2 46 TRP H 5.500 . 5.500 4.766 4.600 4.929 . 0 0 "[ . 1 . ]" 1
345 2 43 ALA H 2 47 ASN H 5.500 . 5.500 5.737 5.619 5.924 0.424 4 0 "[ . 1 . ]" 1
346 2 44 SER H 2 45 LEU H 4.500 . 4.500 2.910 2.718 3.094 . 0 0 "[ . 1 . ]" 1
347 2 44 SER H 2 46 TRP H 4.500 . 4.500 4.118 4.009 4.219 . 0 0 "[ . 1 . ]" 1
348 2 44 SER H 2 47 ASN H 4.500 . 4.500 4.563 4.483 4.681 0.181 2 0 "[ . 1 . ]" 1
349 2 45 LEU H 2 46 TRP H 4.500 . 4.500 2.593 2.523 2.684 . 0 0 "[ . 1 . ]" 1
350 2 45 LEU H 2 47 ASN H 4.500 . 4.500 4.164 3.923 4.402 . 0 0 "[ . 1 . ]" 1
351 2 45 LEU QB 2 48 TRP HE1 4.500 . 4.500 4.703 4.409 5.015 0.515 6 1 "[ .+ 1 . ]" 1
352 2 46 TRP H 2 47 ASN H 4.500 . 4.500 2.696 2.565 2.806 . 0 0 "[ . 1 . ]" 1
353 2 47 ASN H 2 48 TRP H 4.500 . 4.500 2.894 2.636 3.207 . 0 0 "[ . 1 . ]" 1
354 2 47 ASN H 2 50 ASN H 5.500 . 5.500 5.638 5.527 5.824 0.324 2 0 "[ . 1 . ]" 1
355 2 48 TRP H 2 48 TRP HA 3.000 . 3.000 2.914 2.816 3.012 0.012 18 0 "[ . 1 . ]" 1
356 2 48 TRP H 2 48 TRP HE1 5.500 . 5.500 5.325 4.603 5.650 0.150 1 0 "[ . 1 . ]" 1
357 2 48 TRP H 2 49 PHE H 4.500 . 4.500 2.570 2.325 2.752 . 0 0 "[ . 1 . ]" 1
358 2 48 TRP H 2 50 ASN H 4.500 . 4.500 4.270 3.994 4.465 . 0 0 "[ . 1 . ]" 1
359 2 48 TRP HE1 2 49 PHE H 6.500 . 6.500 4.325 3.857 4.808 . 0 0 "[ . 1 . ]" 1
360 2 48 TRP HE1 2 51 ILE QG 6.000 . 6.000 5.891 5.237 6.398 0.398 18 0 "[ . 1 . ]" 1
361 2 48 TRP HE1 2 51 ILE MG 5.500 . 5.500 5.734 4.931 6.010 0.510 4 2 "[ +. -1 . ]" 1
362 2 49 PHE H 2 50 ASN H 4.500 . 4.500 2.756 2.453 3.037 . 0 0 "[ . 1 . ]" 1
363 2 49 PHE H 2 51 ILE H 5.500 . 5.500 4.498 3.987 4.821 . 0 0 "[ . 1 . ]" 1
364 2 50 ASN H 2 51 ILE H 4.500 . 4.500 2.507 2.180 2.738 . 0 0 "[ . 1 . ]" 1
365 2 50 ASN H 2 52 THR H 4.500 . 4.500 4.331 4.101 4.475 . 0 0 "[ . 1 . ]" 1
366 2 50 ASN H 2 53 ASN H 4.500 . 4.500 4.710 4.610 4.888 0.388 4 0 "[ . 1 . ]" 1
367 2 50 ASN H 2 54 TRP HE1 4.500 . 4.500 4.670 4.524 4.915 0.415 6 0 "[ . 1 . ]" 1
368 2 51 ILE H 2 52 THR H 4.500 . 4.500 2.691 2.561 2.872 . 0 0 "[ . 1 . ]" 1
369 2 51 ILE H 2 53 ASN H 4.500 . 4.500 3.922 3.636 4.365 . 0 0 "[ . 1 . ]" 1
370 2 51 ILE H 2 54 TRP HE1 6.500 . 6.500 4.169 3.105 5.331 . 0 0 "[ . 1 . ]" 1
371 2 51 ILE HA 2 54 TRP H 5.500 . 5.500 4.165 3.599 5.281 . 0 0 "[ . 1 . ]" 1
372 2 52 THR H 2 53 ASN H 4.500 . 4.500 2.390 2.231 2.653 . 0 0 "[ . 1 . ]" 1
373 2 52 THR H 2 54 TRP H 4.500 . 4.500 4.565 4.327 4.727 0.227 3 0 "[ . 1 . ]" 1
374 2 52 THR H 2 55 LEU H 6.500 . 6.500 4.996 4.811 5.516 . 0 0 "[ . 1 . ]" 1
375 2 53 ASN H 2 54 TRP H 4.500 . 4.500 2.878 2.638 3.180 . 0 0 "[ . 1 . ]" 1
376 2 53 ASN H 2 55 LEU H 4.500 . 4.500 4.027 3.791 4.556 0.056 4 0 "[ . 1 . ]" 1
377 2 53 ASN QB 2 54 TRP H 4.500 . 4.500 2.658 2.283 3.447 . 0 0 "[ . 1 . ]" 1
378 2 54 TRP H 2 54 TRP HE1 4.500 . 4.500 3.834 3.529 4.416 . 0 0 "[ . 1 . ]" 1
379 2 54 TRP H 2 55 LEU H 4.500 . 4.500 2.481 2.411 2.628 . 0 0 "[ . 1 . ]" 1
380 2 54 TRP H 2 56 TRP H 4.500 . 4.500 4.652 4.564 4.787 0.287 8 0 "[ . 1 . ]" 1
381 2 54 TRP H 2 57 TYR H 5.500 . 5.500 5.184 4.969 5.692 0.192 6 0 "[ . 1 . ]" 1
382 2 54 TRP HA 2 57 TYR H 6.500 . 6.500 3.204 2.885 3.677 . 0 0 "[ . 1 . ]" 1
383 2 54 TRP HE1 2 55 LEU H 6.500 . 6.500 5.722 4.871 6.550 0.050 15 0 "[ . 1 . ]" 1
384 2 55 LEU H 2 56 TRP H 4.500 . 4.500 2.920 2.802 3.071 . 0 0 "[ . 1 . ]" 1
385 2 55 LEU H 2 57 TYR H 4.500 . 4.500 4.099 3.938 4.395 . 0 0 "[ . 1 . ]" 1
386 2 55 LEU H 2 58 ILE H 6.500 . 6.500 4.894 4.700 5.374 . 0 0 "[ . 1 . ]" 1
387 2 56 TRP H 2 56 TRP HE1 4.500 . 4.500 4.408 3.780 4.599 0.099 12 0 "[ . 1 . ]" 1
388 2 56 TRP H 2 57 TYR H 3.000 . 3.000 2.609 2.462 2.762 . 0 0 "[ . 1 . ]" 1
389 2 56 TRP H 2 58 ILE H 4.500 . 4.500 4.540 4.369 4.693 0.193 8 0 "[ . 1 . ]" 1
390 2 56 TRP H 2 59 LYS H 4.500 . 4.500 4.624 4.549 4.737 0.237 6 0 "[ . 1 . ]" 1
391 2 57 TYR H 2 58 ILE H 3.000 . 3.000 2.768 2.559 2.843 . 0 0 "[ . 1 . ]" 1
392 2 57 TYR H 2 59 LYS H 4.500 . 4.500 3.718 3.419 3.978 . 0 0 "[ . 1 . ]" 1
393 2 58 ILE H 2 59 LYS H 3.000 . 3.000 2.586 2.309 2.777 . 0 0 "[ . 1 . ]" 1
394 3 5 GLU H 3 6 ALA H 5.500 . 5.500 1.769 1.662 1.894 . 0 0 "[ . 1 . ]" 1
395 3 5 GLU H 3 20 TRP HE1 4.500 . 4.500 4.170 3.513 4.598 0.098 15 0 "[ . 1 . ]" 1
396 3 6 ALA H 3 20 TRP HE1 5.500 . 5.500 5.122 4.200 5.479 . 0 0 "[ . 1 . ]" 1
397 3 8 ARG H 3 9 ASP H 4.500 . 4.500 4.205 4.083 4.308 . 0 0 "[ . 1 . ]" 1
398 3 8 ARG H 3 10 GLY H 5.500 . 5.500 5.580 5.529 5.639 0.139 1 0 "[ . 1 . ]" 1
399 3 9 ASP H 3 10 GLY H 4.500 . 4.500 1.526 1.331 1.740 . 0 0 "[ . 1 . ]" 1
400 3 9 ASP H 3 11 GLN H 4.500 . 4.500 3.151 3.013 3.417 . 0 0 "[ . 1 . ]" 1
401 3 10 GLY H 3 11 GLN H 4.500 . 4.500 2.637 2.537 2.714 . 0 0 "[ . 1 . ]" 1
402 3 11 GLN H 3 12 ALA H 6.500 . 6.500 4.633 4.526 4.776 . 0 0 "[ . 1 . ]" 1
403 3 12 ALA H 3 13 TYR H 5.500 . 5.500 4.561 4.481 4.669 . 0 0 "[ . 1 . ]" 1
404 3 12 ALA H 3 22 LEU MD2 4.500 . 4.500 3.746 2.513 4.822 0.322 10 0 "[ . 1 . ]" 1
405 3 12 ALA H 3 23 LEU H 5.500 . 5.500 5.108 4.714 5.436 . 0 0 "[ . 1 . ]" 1
406 3 12 ALA H 3 24 SER H 5.500 . 5.500 5.621 5.303 5.772 0.272 1 0 "[ . 1 . ]" 1
407 3 13 TYR H 3 14 VAL H 4.500 . 4.500 4.247 4.109 4.325 . 0 0 "[ . 1 . ]" 1
408 3 13 TYR H 3 21 VAL H 5.500 . 5.500 5.784 5.728 5.879 0.379 7 0 "[ . 1 . ]" 1
409 3 13 TYR H 3 23 LEU H 5.500 . 5.500 4.363 4.081 4.692 . 0 0 "[ . 1 . ]" 1
410 3 14 VAL H 3 15 ARG H 4.500 . 4.500 4.564 4.507 4.621 0.121 2 0 "[ . 1 . ]" 1
411 3 14 VAL H 3 16 LYS H 5.500 . 5.500 5.583 5.432 5.698 0.198 4 0 "[ . 1 . ]" 1
412 3 14 VAL H 3 20 TRP H 6.500 . 6.500 6.586 6.065 6.908 0.408 8 0 "[ . 1 . ]" 1
413 3 14 VAL H 3 21 VAL H 3.000 . 3.000 2.348 1.826 2.724 . 0 0 "[ . 1 . ]" 1
414 3 14 VAL H 3 22 LEU H 4.500 . 4.500 4.786 4.712 4.887 0.387 10 0 "[ . 1 . ]" 1
415 3 14 VAL H 3 23 LEU H 4.500 . 4.500 4.024 3.545 4.651 0.151 6 0 "[ . 1 . ]" 1
416 3 15 ARG H 3 16 LYS H 5.500 . 5.500 4.385 4.270 4.501 . 0 0 "[ . 1 . ]" 1
417 3 15 ARG H 3 21 VAL H 5.500 . 5.500 5.445 5.139 5.551 0.051 10 0 "[ . 1 . ]" 1
418 3 16 LYS H 3 17 ASP H 6.500 . 6.500 4.267 4.183 4.355 . 0 0 "[ . 1 . ]" 1
419 3 16 LYS H 3 18 GLY H 4.500 . 4.500 3.904 3.696 4.106 . 0 0 "[ . 1 . ]" 1
420 3 16 LYS H 3 19 GLU H 3.000 . 3.000 2.611 2.294 2.782 . 0 0 "[ . 1 . ]" 1
421 3 16 LYS H 3 20 TRP H 5.500 . 5.500 5.408 5.095 5.625 0.125 14 0 "[ . 1 . ]" 1
422 3 16 LYS H 3 21 VAL H 4.500 . 4.500 4.487 4.290 4.593 0.093 6 0 "[ . 1 . ]" 1
423 3 17 ASP H 3 18 GLY H 5.500 . 5.500 3.166 3.120 3.273 . 0 0 "[ . 1 . ]" 1
424 3 17 ASP H 3 19 GLU H 6.500 . 6.500 4.567 4.413 4.729 . 0 0 "[ . 1 . ]" 1
425 3 18 GLY H 3 19 GLU H 4.500 . 4.500 2.919 2.826 2.998 . 0 0 "[ . 1 . ]" 1
426 3 19 GLU H 3 20 TRP H 4.500 . 4.500 4.303 4.203 4.366 . 0 0 "[ . 1 . ]" 1
427 3 19 GLU H 3 21 VAL H 5.500 . 5.500 5.659 5.595 5.764 0.264 11 0 "[ . 1 . ]" 1
428 3 20 TRP H 3 20 TRP HE1 5.500 . 5.500 4.421 3.952 5.336 . 0 0 "[ . 1 . ]" 1
429 3 20 TRP H 3 21 VAL H 4.500 . 4.500 4.418 4.308 4.566 0.066 11 0 "[ . 1 . ]" 1
430 3 21 VAL H 3 22 LEU H 4.500 . 4.500 4.289 4.175 4.351 . 0 0 "[ . 1 . ]" 1
431 3 21 VAL H 3 23 LEU H 5.500 . 5.500 5.597 5.513 5.706 0.206 11 0 "[ . 1 . ]" 1
432 3 22 LEU H 3 23 LEU H 4.500 . 4.500 4.318 4.266 4.398 . 0 0 "[ . 1 . ]" 1
433 3 22 LEU H 3 24 SER H 5.500 . 5.500 5.608 5.409 5.704 0.204 4 0 "[ . 1 . ]" 1
434 3 22 LEU H 3 25 THR H 5.500 . 5.500 5.221 5.049 5.455 . 0 0 "[ . 1 . ]" 1
435 3 23 LEU H 3 24 SER H 4.500 . 4.500 2.756 2.646 3.008 . 0 0 "[ . 1 . ]" 1
436 3 23 LEU H 3 25 THR H 4.500 . 4.500 4.490 4.323 4.651 0.151 16 0 "[ . 1 . ]" 1
437 3 23 LEU H 3 26 PHE H 6.500 . 6.500 5.482 5.272 5.638 . 0 0 "[ . 1 . ]" 1
438 3 23 LEU H 3 27 LEU H 6.500 . 6.500 6.464 6.138 6.710 0.210 12 0 "[ . 1 . ]" 1
439 3 24 SER H 3 25 THR H 4.500 . 4.500 3.025 2.740 3.220 . 0 0 "[ . 1 . ]" 1
440 3 24 SER H 3 26 PHE H 5.500 . 5.500 4.337 4.198 4.417 . 0 0 "[ . 1 . ]" 1
441 3 24 SER H 3 27 LEU H 4.500 . 4.500 4.709 4.466 4.964 0.464 3 0 "[ . 1 . ]" 1
442 3 24 SER H 3 28 GLY H 6.500 . 6.500 6.054 5.094 6.592 0.092 5 0 "[ . 1 . ]" 1
443 3 25 THR H 3 26 PHE H 4.500 . 4.500 2.498 2.375 2.576 . 0 0 "[ . 1 . ]" 1
444 3 25 THR H 3 27 LEU H 4.500 . 4.500 3.942 3.755 4.386 . 0 0 "[ . 1 . ]" 1
445 3 25 THR H 3 28 GLY H 5.500 . 5.500 4.928 4.531 5.373 . 0 0 "[ . 1 . ]" 1
446 3 25 THR HA 3 28 GLY H 4.500 . 4.500 3.969 3.413 4.650 0.150 4 0 "[ . 1 . ]" 1
447 3 26 PHE H 3 27 LEU H 3.000 . 3.000 2.310 2.058 2.604 . 0 0 "[ . 1 . ]" 1
448 3 26 PHE H 3 28 GLY H 4.500 . 4.500 3.930 3.544 4.571 0.071 4 0 "[ . 1 . ]" 1
449 3 26 PHE H 3 29 SER H 6.500 . 6.500 6.045 5.015 6.643 0.143 12 0 "[ . 1 . ]" 1
450 3 27 LEU H 3 28 GLY H 4.500 . 4.500 2.387 2.075 2.780 . 0 0 "[ . 1 . ]" 1
451 3 27 LEU H 3 29 SER H 5.500 . 5.500 4.639 3.551 5.532 0.032 15 0 "[ . 1 . ]" 1
452 3 27 LEU HA 3 28 GLY H 4.500 . 4.500 3.520 3.404 3.587 . 0 0 "[ . 1 . ]" 1
453 3 27 LEU QB 3 28 GLY H 4.500 . 4.500 2.656 2.105 2.961 . 0 0 "[ . 1 . ]" 1
454 3 27 LEU QB 3 29 SER H . . 4.500 3.542 1.951 4.781 0.281 17 0 "[ . 1 . ]" 1
455 3 28 GLY H 3 29 SER H 4.500 . 4.500 2.682 1.943 3.267 . 0 0 "[ . 1 . ]" 1
456 3 29 SER H 3 30 SER H 4.500 . 4.500 4.158 2.542 4.604 0.104 10 0 "[ . 1 . ]" 1
457 3 29 SER H 3 31 GLY H 5.500 . 5.500 4.221 2.794 5.080 . 0 0 "[ . 1 . ]" 1
458 3 29 SER HA 3 32 ASN H 4.500 . 4.500 4.319 3.127 4.861 0.361 13 0 "[ . 1 . ]" 1
459 3 30 SER H 3 31 GLY H 4.500 . 4.500 2.497 1.333 3.482 . 0 0 "[ . 1 . ]" 1
460 3 30 SER H 3 32 ASN H 5.500 . 5.500 3.338 2.535 4.141 . 0 0 "[ . 1 . ]" 1
461 3 30 SER H 3 33 GLU H 6.500 . 6.500 4.216 2.533 5.603 . 0 0 "[ . 1 . ]" 1
462 3 30 SER H 3 34 GLN H 5.500 . 5.500 5.343 3.836 5.996 0.496 10 0 "[ . 1 . ]" 1
463 3 30 SER HA 3 33 GLU H 4.500 . 4.500 4.388 3.559 4.678 0.178 11 0 "[ . 1 . ]" 1
464 3 31 GLY H 3 32 ASN H 4.500 . 4.500 2.142 1.512 3.280 . 0 0 "[ . 1 . ]" 1
465 3 31 GLY H 3 32 ASN QB 5.500 . 5.500 4.297 3.359 5.306 . 0 0 "[ . 1 . ]" 1
466 3 31 GLY H 3 33 GLU H 4.500 . 4.500 3.433 2.492 3.948 . 0 0 "[ . 1 . ]" 1
467 3 31 GLY H 3 33 GLU QB 5.500 . 5.500 4.550 3.432 5.320 . 0 0 "[ . 1 . ]" 1
468 3 31 GLY H 3 33 GLU QG 5.500 . 5.500 4.626 3.327 5.781 0.281 16 0 "[ . 1 . ]" 1
469 3 31 GLY H 3 34 GLN H 5.500 . 5.500 5.104 3.810 5.763 0.263 11 0 "[ . 1 . ]" 1
470 3 31 GLY H 3 36 LEU QD 6.500 . 6.500 5.979 5.502 6.584 0.084 5 0 "[ . 1 . ]" 1
471 3 31 GLY QA 3 32 ASN H . . 3.000 2.798 2.375 3.048 0.048 18 0 "[ . 1 . ]" 1
472 3 31 GLY QA 3 33 GLU H 4.500 . 4.500 3.379 2.627 4.323 . 0 0 "[ . 1 . ]" 1
473 3 31 GLY QA 3 34 GLN H 4.500 . 4.500 4.860 4.257 5.284 0.784 12 7 "[ . 1*+***-* ]" 1
474 3 32 ASN H 3 33 GLU H 4.500 . 4.500 2.110 1.362 2.781 . 0 0 "[ . 1 . ]" 1
475 3 32 ASN H 3 33 GLU HA 4.500 . 4.500 4.673 3.979 4.980 0.480 12 0 "[ . 1 . ]" 1
476 3 32 ASN H 3 34 GLN H 4.500 . 4.500 3.538 2.751 4.524 0.024 4 0 "[ . 1 . ]" 1
477 3 32 ASN H 3 35 GLU H 5.500 . 5.500 5.187 4.439 5.743 0.243 14 0 "[ . 1 . ]" 1
478 3 32 ASN H 3 36 LEU QD 6.500 . 6.500 4.899 4.364 5.779 . 0 0 "[ . 1 . ]" 1
479 3 32 ASN HA 3 34 GLN H 4.500 . 4.500 3.205 2.555 4.140 . 0 0 "[ . 1 . ]" 1
480 3 32 ASN HA 3 35 GLU H 4.500 . 4.500 3.417 2.882 3.899 . 0 0 "[ . 1 . ]" 1
481 3 32 ASN QB 3 33 GLU H 3.500 . 3.500 3.536 2.825 3.929 0.429 13 0 "[ . 1 . ]" 1
482 3 32 ASN QB 3 34 GLN H 4.500 . 4.500 4.527 3.991 5.161 0.661 9 2 "[- . +1 . ]" 1
483 3 32 ASN QB 3 35 GLU H 4.500 . 4.500 4.339 3.310 4.974 0.474 10 0 "[ . 1 . ]" 1
484 3 33 GLU H 3 33 GLU HA 3.000 . 3.000 2.754 2.664 2.850 . 0 0 "[ . 1 . ]" 1
485 3 33 GLU H 3 34 GLN H 3.000 . 3.000 2.374 2.203 2.768 . 0 0 "[ . 1 . ]" 1
486 3 33 GLU H 3 35 GLU H 4.500 . 4.500 4.503 4.128 4.765 0.265 18 0 "[ . 1 . ]" 1
487 3 33 GLU H 3 36 LEU MD1 4.500 . 4.500 4.519 3.830 4.871 0.371 10 0 "[ . 1 . ]" 1
488 3 33 GLU H 3 36 LEU HG 4.500 . 4.500 4.561 4.330 4.821 0.321 3 0 "[ . 1 . ]" 1
489 3 34 GLN H 3 34 GLN HA 3.000 . 3.000 2.918 2.838 3.009 0.009 16 0 "[ . 1 . ]" 1
490 3 34 GLN H 3 35 GLU H 3.000 . 3.000 2.862 2.670 2.983 . 0 0 "[ . 1 . ]" 1
491 3 34 GLN H 3 36 LEU H 4.500 . 4.500 4.268 3.844 4.657 0.157 1 0 "[ . 1 . ]" 1
492 3 34 GLN H 3 36 LEU QD 6.500 . 6.500 4.406 4.025 4.759 . 0 0 "[ . 1 . ]" 1
493 3 34 GLN H 3 36 LEU HG 4.500 . 4.500 4.468 4.221 4.776 0.276 1 0 "[ . 1 . ]" 1
494 3 35 GLU H 3 36 LEU H 3.000 . 3.000 2.663 2.235 2.966 . 0 0 "[ . 1 . ]" 1
495 3 35 GLU H 3 38 GLU H 4.500 . 4.500 4.722 4.611 4.883 0.383 10 0 "[ . 1 . ]" 1
496 3 36 LEU H 3 38 GLU H 4.500 . 4.500 4.074 3.637 4.326 . 0 0 "[ . 1 . ]" 1
497 3 38 GLU H 3 39 LEU H 3.000 . 3.000 2.632 2.497 2.822 . 0 0 "[ . 1 . ]" 1
498 3 38 GLU H 3 40 ASP H 4.500 . 4.500 4.294 4.192 4.486 . 0 0 "[ . 1 . ]" 1
499 3 38 GLU H 3 40 ASP QB . . 4.500 4.829 4.777 4.922 0.422 2 0 "[ . 1 . ]" 1
500 3 38 GLU H 3 42 TRP HE1 4.750 . 4.750 5.059 4.842 5.200 0.450 5 0 "[ . 1 . ]" 1
501 3 39 LEU H 3 40 ASP H 4.500 . 4.500 2.924 2.867 3.009 . 0 0 "[ . 1 . ]" 1
502 3 39 LEU H 3 40 ASP QB 4.500 . 4.500 4.426 4.329 4.527 0.027 6 0 "[ . 1 . ]" 1
503 3 39 LEU H 3 41 LYS H 4.500 . 4.500 4.401 4.236 4.574 0.074 12 0 "[ . 1 . ]" 1
504 3 39 LEU H 3 42 TRP H 6.500 . 6.500 5.079 4.681 5.481 . 0 0 "[ . 1 . ]" 1
505 3 39 LEU H 3 42 TRP HE1 5.500 . 5.500 4.188 3.387 4.724 . 0 0 "[ . 1 . ]" 1
506 3 39 LEU HG 3 40 ASP H 4.500 . 4.500 3.860 2.082 4.495 . 0 0 "[ . 1 . ]" 1
507 3 40 ASP H 3 42 TRP H 4.500 . 4.500 4.428 4.186 4.620 0.120 10 0 "[ . 1 . ]" 1
508 3 40 ASP H 3 43 ALA H 5.500 . 5.500 5.364 5.004 5.591 0.091 3 0 "[ . 1 . ]" 1
509 3 40 ASP QB 3 43 ALA H 5.500 . 5.500 5.414 5.141 5.575 0.075 16 0 "[ . 1 . ]" 1
510 3 41 LYS H 3 43 ALA H 5.500 . 5.500 4.443 4.208 4.628 . 0 0 "[ . 1 . ]" 1
511 3 42 TRP H 3 42 TRP HE1 4.500 . 4.500 4.014 3.692 4.232 . 0 0 "[ . 1 . ]" 1
512 3 42 TRP H 3 43 ALA H 3.000 . 3.000 2.783 2.689 2.867 . 0 0 "[ . 1 . ]" 1
513 3 42 TRP H 3 44 SER H 4.500 . 4.500 4.303 4.049 4.505 0.005 9 0 "[ . 1 . ]" 1
514 3 42 TRP H 3 45 LEU H 5.500 . 5.500 5.245 4.845 5.518 0.018 3 0 "[ . 1 . ]" 1
515 3 42 TRP QB 3 43 ALA H 6.500 . 6.500 2.802 2.616 3.844 . 0 0 "[ . 1 . ]" 1
516 3 42 TRP HE1 3 43 ALA H 6.500 . 6.500 6.448 5.212 6.734 0.234 2 0 "[ . 1 . ]" 1
517 3 43 ALA H 3 43 ALA MB 3.000 . 3.000 2.159 2.046 2.225 . 0 0 "[ . 1 . ]" 1
518 3 43 ALA H 3 44 SER H 4.500 . 4.500 2.620 2.515 2.700 . 0 0 "[ . 1 . ]" 1
519 3 43 ALA H 3 45 LEU H 4.500 . 4.500 4.456 4.149 4.708 0.208 1 0 "[ . 1 . ]" 1
520 3 43 ALA H 3 46 TRP H 5.500 . 5.500 4.766 4.601 4.929 . 0 0 "[ . 1 . ]" 1
521 3 43 ALA H 3 47 ASN H 5.500 . 5.500 5.737 5.619 5.921 0.421 4 0 "[ . 1 . ]" 1
522 3 44 SER H 3 45 LEU H 4.500 . 4.500 2.909 2.713 3.094 . 0 0 "[ . 1 . ]" 1
523 3 44 SER H 3 46 TRP H 4.500 . 4.500 4.118 4.011 4.218 . 0 0 "[ . 1 . ]" 1
524 3 44 SER H 3 47 ASN H 4.500 . 4.500 4.563 4.483 4.680 0.180 2 0 "[ . 1 . ]" 1
525 3 45 LEU H 3 46 TRP H 4.500 . 4.500 2.594 2.523 2.685 . 0 0 "[ . 1 . ]" 1
526 3 45 LEU H 3 47 ASN H 4.500 . 4.500 4.164 3.923 4.400 . 0 0 "[ . 1 . ]" 1
527 3 45 LEU QB 3 48 TRP HE1 4.500 . 4.500 4.703 4.408 5.016 0.516 6 1 "[ .+ 1 . ]" 1
528 3 46 TRP H 3 47 ASN H 4.500 . 4.500 2.695 2.565 2.803 . 0 0 "[ . 1 . ]" 1
529 3 47 ASN H 3 48 TRP H 4.500 . 4.500 2.894 2.637 3.208 . 0 0 "[ . 1 . ]" 1
530 3 47 ASN H 3 50 ASN H 5.500 . 5.500 5.639 5.527 5.825 0.325 2 0 "[ . 1 . ]" 1
531 3 48 TRP H 3 48 TRP HA 3.000 . 3.000 2.914 2.818 3.013 0.013 18 0 "[ . 1 . ]" 1
532 3 48 TRP H 3 48 TRP HE1 5.500 . 5.500 5.324 4.602 5.650 0.150 1 0 "[ . 1 . ]" 1
533 3 48 TRP H 3 49 PHE H 4.500 . 4.500 2.569 2.326 2.754 . 0 0 "[ . 1 . ]" 1
534 3 48 TRP H 3 50 ASN H 4.500 . 4.500 4.270 3.996 4.464 . 0 0 "[ . 1 . ]" 1
535 3 48 TRP HE1 3 49 PHE H 6.500 . 6.500 4.324 3.857 4.807 . 0 0 "[ . 1 . ]" 1
536 3 48 TRP HE1 3 51 ILE QG 6.000 . 6.000 5.891 5.237 6.399 0.399 18 0 "[ . 1 . ]" 1
537 3 48 TRP HE1 3 51 ILE MG 5.500 . 5.500 5.734 4.931 6.009 0.509 4 2 "[ +. -1 . ]" 1
538 3 49 PHE H 3 50 ASN H 4.500 . 4.500 2.755 2.453 3.037 . 0 0 "[ . 1 . ]" 1
539 3 49 PHE H 3 51 ILE H 5.500 . 5.500 4.498 3.986 4.822 . 0 0 "[ . 1 . ]" 1
540 3 50 ASN H 3 51 ILE H 4.500 . 4.500 2.506 2.173 2.737 . 0 0 "[ . 1 . ]" 1
541 3 50 ASN H 3 52 THR H 4.500 . 4.500 4.330 4.093 4.475 . 0 0 "[ . 1 . ]" 1
542 3 50 ASN H 3 53 ASN H 4.500 . 4.500 4.710 4.610 4.888 0.388 4 0 "[ . 1 . ]" 1
543 3 50 ASN H 3 54 TRP HE1 4.500 . 4.500 4.670 4.525 4.915 0.415 6 0 "[ . 1 . ]" 1
544 3 51 ILE H 3 52 THR H 4.500 . 4.500 2.690 2.561 2.870 . 0 0 "[ . 1 . ]" 1
545 3 51 ILE H 3 53 ASN H 4.500 . 4.500 3.922 3.637 4.364 . 0 0 "[ . 1 . ]" 1
546 3 51 ILE H 3 54 TRP HE1 6.500 . 6.500 4.169 3.106 5.331 . 0 0 "[ . 1 . ]" 1
547 3 51 ILE HA 3 54 TRP H 5.500 . 5.500 4.165 3.598 5.280 . 0 0 "[ . 1 . ]" 1
548 3 52 THR H 3 53 ASN H 4.500 . 4.500 2.389 2.229 2.655 . 0 0 "[ . 1 . ]" 1
549 3 52 THR H 3 54 TRP H 4.500 . 4.500 4.565 4.325 4.727 0.227 3 0 "[ . 1 . ]" 1
550 3 52 THR H 3 55 LEU H 6.500 . 6.500 4.996 4.812 5.517 . 0 0 "[ . 1 . ]" 1
551 3 53 ASN H 3 54 TRP H 4.500 . 4.500 2.878 2.637 3.186 . 0 0 "[ . 1 . ]" 1
552 3 53 ASN H 3 55 LEU H 4.500 . 4.500 4.027 3.788 4.558 0.058 4 0 "[ . 1 . ]" 1
553 3 53 ASN QB 3 54 TRP H 4.500 . 4.500 2.659 2.282 3.447 . 0 0 "[ . 1 . ]" 1
554 3 54 TRP H 3 54 TRP HE1 4.500 . 4.500 3.834 3.530 4.415 . 0 0 "[ . 1 . ]" 1
555 3 54 TRP H 3 55 LEU H 4.500 . 4.500 2.480 2.411 2.628 . 0 0 "[ . 1 . ]" 1
556 3 54 TRP H 3 56 TRP H 4.500 . 4.500 4.651 4.564 4.785 0.285 8 0 "[ . 1 . ]" 1
557 3 54 TRP H 3 57 TYR H 5.500 . 5.500 5.183 4.968 5.692 0.192 6 0 "[ . 1 . ]" 1
558 3 54 TRP HA 3 57 TYR H 6.500 . 6.500 3.204 2.886 3.675 . 0 0 "[ . 1 . ]" 1
559 3 54 TRP HE1 3 55 LEU H 6.500 . 6.500 5.722 4.870 6.552 0.052 15 0 "[ . 1 . ]" 1
560 3 55 LEU H 3 56 TRP H 4.500 . 4.500 2.920 2.803 3.069 . 0 0 "[ . 1 . ]" 1
561 3 55 LEU H 3 57 TYR H 4.500 . 4.500 4.099 3.937 4.395 . 0 0 "[ . 1 . ]" 1
562 3 55 LEU H 3 58 ILE H 6.500 . 6.500 4.894 4.700 5.376 . 0 0 "[ . 1 . ]" 1
563 3 56 TRP H 3 56 TRP HE1 4.500 . 4.500 4.409 3.782 4.599 0.099 12 0 "[ . 1 . ]" 1
564 3 56 TRP H 3 57 TYR H 3.000 . 3.000 2.608 2.456 2.762 . 0 0 "[ . 1 . ]" 1
565 3 56 TRP H 3 58 ILE H 4.500 . 4.500 4.539 4.364 4.693 0.193 8 0 "[ . 1 . ]" 1
566 3 56 TRP H 3 59 LYS H 4.500 . 4.500 4.624 4.548 4.738 0.238 6 0 "[ . 1 . ]" 1
567 3 57 TYR H 3 58 ILE H 3.000 . 3.000 2.768 2.561 2.845 . 0 0 "[ . 1 . ]" 1
568 3 57 TYR H 3 59 LYS H 4.500 . 4.500 3.717 3.419 3.979 . 0 0 "[ . 1 . ]" 1
569 3 58 ILE H 3 59 LYS H 3.000 . 3.000 2.584 2.310 2.776 . 0 0 "[ . 1 . ]" 1
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