NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
550367 |
2lri   |
18374 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lri
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 3
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 11.021
_Distance_constraint_stats_list.Viol_max 0.060
_Distance_constraint_stats_list.Viol_rms 0.0073
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0220
_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 25 LEU 0.008 0.005 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 CYS 0.212 0.060 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 32 ALA 0.212 0.060 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 PHE 0.008 0.005 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 27 CYS H 1 32 ALA O 2.200 . 2.700 2.404 1.957 2.760 0.060 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
2 1 25 LEU H 1 34 PHE O 2.200 . 2.700 1.897 1.725 2.329 0.005 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
3 1 25 LEU O 1 34 PHE H 2.200 . 2.700 2.012 1.782 2.370 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 670
_Distance_constraint_stats_list.Viol_count 852
_Distance_constraint_stats_list.Viol_total 4604.667
_Distance_constraint_stats_list.Viol_max 0.999
_Distance_constraint_stats_list.Viol_rms 0.0301
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.1081
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 MET 0.026 0.009 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 4 GLU 0.271 0.109 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 5 GLY 0.245 0.109 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 6 GLN 0.505 0.112 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 7 GLN 0.706 0.110 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 8 ASN 0.311 0.110 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 9 LEU 17.187 0.999 27 17 "[ * . - 1 *** ** *.*+*** * * * 4 * . 5]"
1 10 ALA 4.725 0.384 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 11 PRO 5.670 0.384 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 12 GLY 1.168 0.179 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 13 ALA 0.157 0.111 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 14 ARG 2.807 0.719 36 2 "[ . 1 . -2 . 3 .+ 4 . 5]"
1 15 CYS 0.468 0.081 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 17 VAL 1.306 0.300 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 18 CYS 1.250 0.300 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 19 GLY 0.398 0.081 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 20 ASP 0.143 0.071 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 21 GLY 2.807 0.719 36 2 "[ . 1 . -2 . 3 .+ 4 . 5]"
1 22 THR 0.016 0.016 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 24 VAL 5.922 0.198 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 LEU 2.349 0.125 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 26 ARG 1.214 0.130 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 CYS 10.963 0.260 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 28 THR 0.893 0.303 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 29 HIS 0.661 0.365 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 30 CYS 9.949 0.241 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 ALA 11.666 0.260 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 32 ALA 2.265 0.130 5 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 ALA 5.352 0.198 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 PHE 0.390 0.122 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 HIS 2.420 0.931 5 1 "[ + 1 . 2 . 3 . 4 . 5]"
1 36 TRP 6.181 0.581 10 2 "[ . + - . 2 . 3 . 4 . 5]"
1 37 ARG 2.209 0.931 5 1 "[ + 1 . 2 . 3 . 4 . 5]"
1 38 CYS 0.503 0.414 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 39 HIS 4.731 0.137 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 40 PHE 1.208 0.288 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 41 PRO 5.839 0.384 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 ALA 5.839 0.384 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 THR 0.379 0.126 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 45 SER 0.240 0.049 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 46 ARG 7.147 0.655 13 5 "[ * .* * + . 2 . 3 * . 4 . 5]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 GLY 0.654 0.255 5 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 THR 2.295 0.255 5 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 50 GLY 0.562 0.170 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 51 LEU 0.520 0.168 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 52 ARG 2.236 0.206 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 53 CYS 1.947 0.137 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 54 ARG 2.241 0.288 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 55 SER 0.022 0.017 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 56 CYS 0.370 0.143 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 57 SER 1.148 0.206 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 59 ASP 1.243 0.583 6 1 "[ .+ 1 . 2 . 3 . 4 . 5]"
1 60 VAL 1.720 0.168 5 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 61 THR 0.660 0.583 6 1 "[ .+ 1 . 2 . 3 . 4 . 5]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 63 ALA 0.007 0.007 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 64 PRO 0.155 0.114 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 65 VAL 0.642 0.193 5 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 66 GLU 0.411 0.193 5 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 34 PHE HB2 1 34 PHE QD 2.765 . 3.721 2.339 2.299 2.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
2 1 34 PHE HB3 1 34 PHE QD 2.890 . 3.934 2.448 2.384 2.502 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
3 1 34 PHE HA 1 34 PHE QD 3.886 . 5.774 3.732 3.709 3.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
4 1 40 PHE HA 1 40 PHE QD 3.821 . 5.646 2.969 2.727 3.141 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
5 1 34 PHE HA 1 34 PHE HB2 2.538 . 3.343 2.457 2.412 2.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
6 1 34 PHE HA 1 34 PHE HB3 2.576 . 3.406 2.460 2.414 2.511 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
7 1 40 PHE HA 1 40 PHE HB3 2.978 . 4.087 2.490 2.432 2.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
8 1 40 PHE HB2 1 40 PHE QD 3.152 . 4.394 2.399 2.307 2.478 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
9 1 15 CYS HB2 1 35 HIS HE1 3.423 . 4.888 4.003 3.103 4.461 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
10 1 35 HIS HA 1 35 HIS HB3 2.834 . 3.838 2.453 2.399 2.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
11 1 39 HIS HE1 1 53 CYS HB2 2.611 . 3.463 3.437 2.604 3.600 0.137 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
12 1 39 HIS HE1 1 53 CYS HA 3.888 . 5.777 4.538 3.065 5.287 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
13 1 39 HIS QB 1 40 PHE QE 3.673 . 5.359 2.883 2.693 3.136 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
14 1 39 HIS QB 1 39 HIS HD2 3.405 . 4.516 3.071 2.838 3.304 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
15 1 39 HIS QB 1 40 PHE QD 3.819 . 5.470 2.450 2.208 2.738 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
16 1 34 PHE QD 1 53 CYS HA 4.012 . 6.024 4.290 3.493 4.987 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
17 1 34 PHE QD 1 53 CYS HB2 4.091 . 6.183 4.104 3.598 4.857 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
18 1 36 TRP HA 1 36 TRP HD1 3.360 . 4.771 4.424 4.189 4.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
19 1 36 TRP HZ3 1 51 LEU HA 3.885 . 5.771 4.137 2.662 5.378 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
20 1 36 TRP HB2 1 36 TRP HZ3 4.260 . 6.528 5.113 4.957 5.307 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
21 1 36 TRP HB2 1 36 TRP HE3 2.665 . 3.553 2.768 2.573 3.002 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
22 1 25 LEU HB2 1 36 TRP HE3 2.996 . 6.000 4.795 3.903 5.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
23 1 34 PHE HB2 1 39 HIS HD2 4.022 . 6.044 2.799 2.107 4.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
24 1 8 ASN HA 1 8 ASN HB3 2.813 . 3.802 2.743 2.372 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
25 1 8 ASN HA 1 8 ASN HB2 2.873 . 3.905 2.689 2.406 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
26 1 9 LEU HA 1 9 LEU HB3 2.737 . 3.673 2.748 2.442 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
27 1 9 LEU HA 1 9 LEU HB2 2.922 . 3.989 2.754 2.405 3.026 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
28 1 40 PHE QE 1 54 ARG HG3 4.619 . 7.286 5.750 3.688 7.574 0.288 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
29 1 9 LEU HB2 1 9 LEU MD2 2.777 . 3.741 2.624 2.252 3.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
30 1 9 LEU HA 1 9 LEU MD2 3.146 . 4.383 3.158 1.966 3.931 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
31 1 9 LEU HA 1 9 LEU MD1 2.254 . 2.889 2.653 1.935 3.888 0.999 27 15 "[ * . 1 *-* ** *.*+ ** * * * 4 * . 5]" 2
32 1 36 TRP HZ2 1 45 SER HA 3.639 . 5.294 4.891 3.720 5.329 0.035 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
33 1 11 PRO HA 1 11 PRO HB2 2.378 . 3.085 2.832 2.696 2.985 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
34 1 14 ARG HA 1 21 GLY HA2 2.761 . 3.714 2.741 1.881 3.815 0.101 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
35 1 10 ALA HA 1 10 ALA MB 1.933 . 2.400 2.130 2.123 2.133 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
36 1 10 ALA MB 1 11 PRO HD3 2.628 . 3.491 3.488 2.718 3.875 0.384 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
37 1 14 ARG HA 1 14 ARG HB2 2.832 . 3.834 2.625 2.354 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
38 1 14 ARG HA 1 14 ARG QG 2.952 . 4.041 2.546 2.326 3.487 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
39 1 15 CYS HA 1 15 CYS HB2 2.567 . 3.391 2.418 2.355 2.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
40 1 15 CYS HA 1 24 VAL QG 3.715 . 5.440 3.596 2.954 4.119 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
41 1 15 CYS HA 1 34 PHE HA 2.630 . 3.495 2.433 1.921 3.201 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
42 1 15 CYS HB3 1 24 VAL QG 3.571 . 5.165 3.395 2.730 3.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
43 1 15 CYS HB2 1 24 VAL QG 2.850 . 3.865 2.430 2.093 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
44 1 15 CYS HB2 1 34 PHE HA 2.833 . 3.836 2.263 1.947 2.842 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
45 1 17 VAL HA 1 17 VAL HB 2.747 . 3.690 3.023 3.018 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
46 1 18 CYS HA 1 18 CYS HB2 2.374 . 3.079 2.779 2.430 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
47 1 18 CYS HA 1 18 CYS HB3 2.251 . 2.885 2.482 2.427 2.528 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
48 1 17 VAL MG1 1 18 CYS HA 2.996 . 4.118 3.688 3.309 3.977 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
49 1 17 VAL MG1 1 18 CYS HB3 3.586 . 5.193 4.571 3.370 5.493 0.300 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
50 1 17 VAL MG1 1 18 CYS HB2 3.904 . 5.809 4.963 4.701 5.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
51 1 20 ASP HA 1 35 HIS HE1 4.772 . 7.618 5.229 4.428 5.876 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
52 1 14 ARG QG 1 20 ASP HA 3.400 . 4.845 3.672 2.579 4.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
53 1 20 ASP QB 1 35 HIS HE1 . . 3.200 2.779 1.923 3.202 0.071 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
54 1 14 ARG HB2 1 21 GLY HA3 3.459 . 4.955 4.088 2.552 5.674 0.719 36 2 "[ . 1 . -2 . 3 .+ 4 . 5]" 2
55 1 21 GLY HA3 1 24 VAL QG 3.747 . 5.502 3.326 3.044 3.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
56 1 22 THR HA 1 22 THR HB 2.881 . 3.918 2.970 2.454 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
57 1 22 THR HB 1 22 THR MG 1.985 . 2.477 2.135 2.132 2.138 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
58 1 22 THR MG 1 23 ASP QB . . 3.181 2.888 2.404 3.154 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
59 1 24 VAL HA 1 35 HIS HA 3.799 . 5.603 3.685 3.037 4.234 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
60 1 24 VAL HA 1 24 VAL HB 2.297 . 2.956 2.561 2.459 2.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
61 1 24 VAL HB 1 24 VAL QG 2.114 . 2.502 1.886 1.880 1.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
62 1 24 VAL HA 1 24 VAL QG . . 2.522 2.191 2.151 2.293 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
63 1 14 ARG HA 1 24 VAL QG 3.140 . 3.828 2.932 2.334 3.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
64 1 21 GLY HA2 1 24 VAL QG . . 2.849 2.567 2.011 2.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
65 1 24 VAL QG 1 33 ALA HA 3.586 . 5.131 2.801 2.470 3.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
66 1 24 VAL QG 1 33 ALA MB 2.142 . 2.716 1.850 1.674 2.292 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
67 1 24 VAL QG 1 34 PHE HA 3.256 . 4.581 2.864 2.479 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
68 1 24 VAL MG1 1 24 VAL MG2 2.277 . 2.925 2.094 2.076 2.103 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
69 1 25 LEU HA 1 25 LEU HB2 2.618 . 3.475 3.020 3.003 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
70 1 25 LEU HA 1 25 LEU HG 3.372 . 4.794 3.082 2.908 3.272 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
71 1 25 LEU HG 1 35 HIS HA 3.586 . 5.194 3.195 2.639 3.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
72 1 26 ARG HA 1 34 PHE QD 4.256 . 6.520 4.305 3.768 4.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
73 1 26 ARG HA 1 33 ALA MB 4.129 . 6.260 4.154 3.592 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
74 1 26 ARG HB3 1 27 CYS HA 3.917 . 5.835 4.865 4.612 5.141 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
75 1 26 ARG HA 1 26 ARG HB2 2.872 . 3.903 2.914 2.486 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
76 1 26 ARG HB2 1 27 CYS HA 4.016 . 6.032 5.326 4.781 6.069 0.037 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
77 1 26 ARG HA 1 26 ARG HG3 3.330 . 4.716 3.332 2.317 3.916 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
78 1 26 ARG HA 1 26 ARG HG2 3.220 . 4.516 3.326 2.839 3.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
79 1 27 CYS HA 1 52 ARG HA 2.698 . 3.608 3.496 2.992 3.727 0.119 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
80 1 27 CYS HA 1 27 CYS HB2 2.431 . 3.170 2.566 2.479 2.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
81 1 27 CYS HA 1 27 CYS HB3 2.927 . 3.998 3.033 3.009 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
82 1 27 CYS HB3 1 32 ALA MB 3.308 . 4.676 3.069 2.843 3.668 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
83 1 27 CYS HB2 1 53 CYS HB3 2.450 . 3.200 2.365 1.819 3.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
84 1 27 CYS HB3 1 34 PHE QE 4.421 . 6.864 4.115 3.612 4.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
85 1 27 CYS HB3 1 34 PHE QD 4.693 . 7.446 5.666 4.894 6.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
86 1 27 CYS HB3 1 52 ARG HA 4.395 . 6.810 5.010 4.560 5.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
87 1 28 THR HA 1 28 THR MG 2.242 . 2.871 2.348 2.221 3.174 0.303 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
88 1 28 THR HA 1 28 THR HB 2.669 . 3.560 2.517 2.455 2.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
89 1 28 THR HB 1 28 THR MG 1.967 . 2.450 2.134 2.120 2.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
90 1 29 HIS HA 1 29 HIS QB 3.267 . 4.601 2.419 2.251 2.522 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
91 1 30 CYS HA 1 30 CYS HB2 2.997 . 4.120 2.419 2.306 3.016 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
92 1 31 ALA HA 1 31 ALA MB 1.930 . 2.396 2.130 2.124 2.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
93 1 26 ARG HA 1 33 ALA HA 2.703 . 3.616 2.957 2.416 3.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
94 1 24 VAL HB 1 33 ALA HA 3.620 . 5.258 4.846 2.957 5.456 0.198 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
95 1 32 ALA MB 1 33 ALA HA 3.241 . 4.554 4.093 3.923 4.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
96 1 13 ALA HA 1 33 ALA MB 2.710 . 3.628 2.541 1.786 3.739 0.111 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
97 1 15 CYS HB3 1 34 PHE HA 5.297 . 8.804 3.866 3.597 4.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
98 1 33 ALA MB 1 34 PHE HA 3.771 . 5.549 4.072 4.012 4.125 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
99 1 15 CYS HA 1 34 PHE HB3 3.986 . 5.972 3.713 3.222 4.400 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
100 1 35 HIS HA 1 35 HIS HB2 2.790 . 3.763 3.029 3.025 3.034 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
101 1 24 VAL QG 1 35 HIS HA 4.571 . 7.182 3.839 3.271 4.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
102 1 36 TRP HA 1 40 PHE HB2 3.232 . 4.538 4.314 3.794 4.578 0.040 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
103 1 44 THR HA 1 44 THR MG 2.245 . 2.875 2.336 2.252 2.435 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
104 1 36 TRP HA 1 40 PHE QD 3.318 . 4.694 3.227 2.513 3.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
105 1 34 PHE QD 1 36 TRP HA 3.371 . 4.791 3.069 2.657 3.673 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
106 1 34 PHE QE 1 36 TRP HA 2.917 . 3.981 2.849 2.217 3.843 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
107 1 36 TRP HA 1 36 TRP HE3 2.736 . 3.671 2.667 2.196 3.196 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
108 1 35 HIS HB3 1 37 ARG HG3 3.338 . 4.731 4.555 3.824 5.662 0.931 5 1 "[ + 1 . 2 . 3 . 4 . 5]" 2
109 1 35 HIS HB3 1 37 ARG HG2 4.527 . 7.089 5.957 4.326 6.400 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
110 1 38 CYS HA 1 38 CYS HB2 2.957 . 4.050 3.017 2.766 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
111 1 38 CYS HA 1 38 CYS HB3 2.407 . 3.131 2.462 2.243 2.563 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
112 1 38 CYS HA 1 39 HIS QB 4.379 . 6.775 5.294 5.198 5.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
113 1 38 CYS HA 1 39 HIS HD2 4.549 . 7.136 4.960 4.539 5.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
114 1 38 CYS HB2 1 39 HIS HD2 2.780 . 3.746 3.093 2.446 3.768 0.022 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
115 1 38 CYS HB3 1 39 HIS HD2 3.280 . 4.625 3.687 3.181 4.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
116 1 35 HIS HB3 1 38 CYS HB2 3.926 . 5.852 4.139 3.502 6.266 0.414 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
117 1 17 VAL HB 1 38 CYS HB2 3.476 . 4.986 3.298 2.469 3.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
118 1 17 VAL HB 1 38 CYS HB3 2.075 . 2.613 2.114 1.844 2.662 0.049 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
119 1 39 HIS HA 1 54 ARG QB 3.785 . 5.576 4.997 4.281 5.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
120 1 39 HIS QB 1 54 ARG QB 3.972 . 5.275 3.741 2.848 4.318 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
121 1 63 ALA HA 1 64 PRO HD3 2.112 . 2.670 2.166 1.838 2.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
122 1 40 PHE HB2 1 41 PRO HD2 4.872 . 7.839 4.395 3.745 5.429 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
123 1 40 PHE HB2 1 41 PRO HD3 4.657 . 7.368 4.741 4.226 5.183 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
124 1 41 PRO HB2 1 41 PRO HD2 3.606 . 5.231 3.463 2.910 4.052 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
125 1 40 PHE HA 1 41 PRO HD2 2.376 . 3.082 2.486 1.946 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
126 1 40 PHE HA 1 41 PRO HD3 2.590 . 3.428 2.212 1.816 2.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
127 1 41 PRO HB3 1 42 ALA HA 4.299 . 6.610 5.598 5.225 5.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
128 1 42 ALA HA 1 42 ALA MB 1.942 . 2.414 2.124 2.121 2.129 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
129 1 44 THR MG 1 45 SER HB2 3.870 . 5.743 4.547 3.846 5.261 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
130 1 36 TRP HZ2 1 44 THR MG 2.502 . 3.284 2.124 1.889 3.409 0.125 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
131 1 40 PHE QD 1 44 THR MG 3.513 . 5.055 2.844 2.076 5.073 0.018 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
132 1 36 TRP HZ2 1 46 ARG HA 3.160 . 4.409 3.061 2.422 3.748 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
133 1 44 THR MG 1 46 ARG HA 3.203 . 4.485 4.277 3.860 4.611 0.126 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
134 1 46 ARG HA 1 46 ARG HB3 2.543 . 3.351 2.783 2.369 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
135 1 46 ARG HB3 1 47 PRO QD 4.361 . 6.738 3.867 2.646 4.319 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
136 1 46 ARG HB2 1 47 PRO QD 3.551 . 5.127 3.532 2.363 4.184 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
137 1 46 ARG HA 1 47 PRO QD 2.200 . 2.801 1.927 1.826 2.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
138 1 47 PRO HA 1 47 PRO QD 3.660 . 5.335 3.407 3.274 3.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
139 1 47 PRO QD 1 51 LEU QD 2.318 . 2.989 2.389 1.943 2.875 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
140 1 36 TRP HD1 1 47 PRO QD 4.282 . 6.574 5.717 5.029 6.202 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
141 1 36 TRP HZ3 1 47 PRO QD 4.217 . 6.440 3.403 2.852 3.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
142 1 36 TRP HH2 1 47 PRO QD 3.399 . 4.211 2.723 2.293 3.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
143 1 49 THR HA 1 49 THR MG 2.389 . 3.102 2.443 2.166 3.209 0.107 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
144 1 49 THR HB 1 49 THR MG 2.041 . 2.562 2.133 2.127 2.136 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
145 1 51 LEU HA 1 51 LEU HB3 2.744 . 3.685 2.966 2.689 3.018 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
146 1 51 LEU HA 1 51 LEU HB2 2.471 . 3.234 2.670 2.543 2.969 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
147 1 51 LEU HA 1 51 LEU QD 2.347 . 3.035 1.932 1.836 2.926 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
148 1 51 LEU HB2 1 51 LEU QD 2.283 . 2.935 2.326 2.087 2.402 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
149 1 52 ARG HA 1 52 ARG QG 2.863 . 3.621 2.494 2.247 3.329 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
150 1 34 PHE HZ 1 53 CYS HA 2.847 . 3.860 2.552 2.101 3.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
151 1 53 CYS HA 1 53 CYS HB3 2.777 . 3.741 2.536 2.468 2.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
152 1 53 CYS HA 1 53 CYS HB2 2.436 . 3.178 2.390 2.359 2.426 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
153 1 39 HIS HE1 1 53 CYS HB3 3.731 . 5.471 4.983 4.055 5.249 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
154 1 40 PHE QE 1 54 ARG HA 3.425 . 4.891 3.583 2.442 4.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
155 1 40 PHE HZ 1 54 ARG HA 2.865 . 3.891 2.843 2.012 3.937 0.046 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
156 1 40 PHE QD 1 54 ARG HA 4.878 . 7.853 5.406 4.573 6.343 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
157 1 54 ARG HA 1 54 ARG HD2 3.912 . 5.825 4.424 1.987 5.538 0.012 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
158 1 54 ARG HA 1 54 ARG HD3 3.721 . 5.452 4.424 2.150 5.539 0.087 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
159 1 54 ARG QB 1 54 ARG HD3 4.106 . 5.640 2.665 2.259 3.363 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
160 1 54 ARG QB 1 54 ARG HD2 2.797 . 3.775 2.741 2.305 3.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
161 1 40 PHE QE 1 54 ARG QB 5.215 . 6.578 4.189 2.614 5.316 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
162 1 54 ARG HD3 1 54 ARG HG3 2.668 . 3.557 2.692 2.385 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
163 1 54 ARG HD2 1 54 ARG HG3 2.968 . 4.069 2.589 2.376 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
164 1 52 ARG QG 1 56 CYS QB 2.619 . 3.476 3.001 2.442 3.198 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
165 1 52 ARG HD2 1 57 SER QB 3.909 . 5.819 3.915 2.857 5.972 0.153 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
166 1 59 ASP HA 1 59 ASP HB2 2.920 . 3.986 2.598 2.359 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
167 1 59 ASP HA 1 59 ASP HB3 2.630 . 3.495 2.707 2.420 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
168 1 60 VAL HA 1 60 VAL HB 2.727 . 3.657 2.803 2.410 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
169 1 60 VAL HB 1 60 VAL MG2 2.095 . 2.644 2.128 2.125 2.133 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
170 1 60 VAL HA 1 60 VAL MG2 2.432 . 3.172 2.554 2.361 3.215 0.043 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
171 1 61 THR HA 1 62 PRO HD3 2.248 . 2.880 2.231 1.860 2.575 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
172 1 61 THR HA 1 62 PRO HB3 4.552 . 7.142 5.120 4.815 5.502 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
173 1 61 THR HA 1 61 THR MG 2.650 . 3.528 2.395 2.198 3.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
174 1 61 THR HB 1 61 THR MG 2.348 . 3.037 2.134 2.130 2.138 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
175 1 62 PRO HA 1 62 PRO HB3 2.317 . 2.988 2.291 2.259 2.317 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
176 1 61 THR MG 1 62 PRO HD3 3.801 . 5.607 3.909 3.389 4.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
177 1 64 PRO HA 1 64 PRO HB3 2.595 . 3.437 2.295 2.260 2.315 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
178 1 65 VAL HA 1 65 VAL HB 2.892 . 3.938 2.665 2.406 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
179 1 65 VAL HA 1 65 VAL MG2 3.012 . 4.146 2.734 2.331 3.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
180 1 65 VAL HB 1 65 VAL MG1 2.805 . 3.789 2.127 2.121 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
181 1 51 LEU HB3 1 51 LEU QD 2.229 . 2.850 2.279 2.071 2.332 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
182 1 36 TRP HZ3 1 51 LEU QD 2.817 . 3.809 2.483 1.917 3.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
183 1 33 ALA HA 1 33 ALA MB 2.026 . 2.539 2.129 2.122 2.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
184 1 40 PHE HZ 1 54 ARG QB 3.978 . 5.956 4.208 2.566 5.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
185 1 15 CYS HB3 1 35 HIS HE1 2.978 . 4.086 3.176 2.586 3.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
186 1 9 LEU HA 1 9 LEU HG 3.340 . 4.735 3.192 2.433 3.731 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
187 1 40 PHE QD 1 41 PRO HD3 4.141 . 6.285 4.248 3.072 4.976 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
188 1 13 ALA HA 1 13 ALA MB 2.078 . 2.618 2.130 2.123 2.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
189 1 16 GLY HA2 1 17 VAL MG2 4.168 . 6.340 4.840 4.698 4.992 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
190 1 17 VAL HB 1 39 HIS HD2 3.911 . 5.823 4.364 3.622 5.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
191 1 24 VAL HB 1 33 ALA MB 2.877 . 3.912 3.399 2.016 3.961 0.049 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
192 1 32 ALA HA 1 32 ALA MB 2.009 . 2.513 2.133 2.126 2.140 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
193 1 27 CYS HB2 1 32 ALA MB 2.661 . 3.546 2.226 1.936 3.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
194 1 40 PHE QD 1 41 PRO HD2 4.640 . 7.331 3.674 2.721 5.392 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
195 1 54 ARG HD3 1 54 ARG HG2 2.897 . 3.946 2.618 2.278 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
196 1 54 ARG HD2 1 54 ARG HG2 2.884 . 3.924 2.690 2.385 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
197 1 52 ARG HA 1 57 SER HA 4.702 . 7.465 5.890 4.982 6.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
198 1 52 ARG HA 1 56 CYS QB 4.116 . 6.233 3.137 2.792 4.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
199 1 25 LEU HA 1 25 LEU HB3 2.843 . 3.853 2.497 2.430 2.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
200 1 17 VAL HB 1 17 VAL MG1 1.932 . 2.399 2.129 2.125 2.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
201 1 17 VAL HA 1 17 VAL MG1 2.221 . 2.838 2.380 2.329 2.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
202 1 17 VAL MG2 1 39 HIS HD2 2.604 . 3.452 2.704 2.019 3.459 0.007 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
203 1 24 VAL QG 1 25 LEU H 2.828 . 3.828 2.506 2.042 3.428 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
204 1 28 THR MG 1 51 LEU H 2.829 . 3.830 2.240 1.892 3.464 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
205 1 28 THR H 1 28 THR MG 2.356 . 3.050 2.530 1.980 2.761 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
206 1 51 LEU QD 1 52 ARG H 2.962 . 4.059 2.243 1.827 2.975 0.168 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
207 1 36 TRP HB3 1 37 ARG H 2.575 . 3.404 2.546 2.341 2.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
208 1 27 CYS H 1 27 CYS HB3 2.506 . 3.291 2.722 2.615 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
209 1 27 CYS H 1 27 CYS HB2 2.369 . 3.071 2.469 2.267 2.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
210 1 27 CYS HB2 1 28 THR H 3.521 . 5.070 4.235 4.060 4.378 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
211 1 15 CYS HB2 1 16 GLY H 3.896 . 5.793 4.381 4.180 4.495 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
212 1 25 LEU H 1 25 LEU HB3 3.650 . 5.315 3.631 3.546 3.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
213 1 51 LEU H 1 51 LEU HB2 2.699 . 3.609 2.236 2.071 2.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
214 1 33 ALA HA 1 34 PHE H 2.301 . 2.963 2.137 2.115 2.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
215 1 13 ALA H 1 13 ALA HA 2.400 . 3.120 2.902 2.847 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
216 1 26 ARG HA 1 27 CYS H 2.333 . 3.014 2.233 2.134 2.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
217 1 32 ALA H 1 32 ALA HA 2.623 . 3.483 2.858 2.823 2.892 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
218 1 32 ALA HA 1 33 ALA H 2.156 . 2.737 2.189 2.110 2.308 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
219 1 20 ASP HA 1 21 GLY H 2.267 . 2.909 2.250 2.139 2.364 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
220 1 52 ARG HA 1 53 CYS H 2.228 . 2.849 2.170 2.103 2.228 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
221 1 31 ALA H 1 31 ALA HA 2.254 . 2.889 2.925 2.914 2.930 0.041 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
222 1 24 VAL HA 1 25 LEU H 2.089 . 2.634 2.245 2.129 2.357 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
223 1 65 VAL HA 1 66 GLU H 2.499 . 3.279 2.505 2.122 3.472 0.193 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
224 1 33 ALA H 1 33 ALA MB 2.580 . 3.412 2.429 2.310 2.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
225 1 32 ALA MB 1 33 ALA H 3.263 . 4.594 2.893 2.520 3.353 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
226 1 54 ARG H 1 54 ARG HA 2.650 . 3.528 2.803 2.734 2.847 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
227 1 54 ARG HA 1 55 SER H 3.330 . 4.716 3.536 3.485 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
228 1 55 SER H 1 55 SER HA 2.821 . 3.816 2.821 2.790 2.843 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
229 1 57 SER H 1 57 SER HA 2.537 . 3.342 2.901 2.859 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
230 1 56 CYS H 1 56 CYS HA 2.670 . 3.561 2.849 2.833 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
231 1 28 THR H 1 28 THR HA 2.677 . 3.572 2.900 2.867 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
232 1 28 THR HA 1 29 HIS H 3.141 . 4.374 3.406 3.218 3.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
233 1 28 THR H 1 28 THR HB 3.388 . 4.823 3.557 2.571 3.660 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
234 1 55 SER H 1 55 SER HB2 2.423 . 3.157 2.560 2.437 2.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
235 1 39 HIS QB 1 40 PHE HA 3.907 . 5.815 4.068 3.855 4.250 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
236 1 40 PHE QE 1 41 PRO HD2 4.691 . 7.441 5.739 4.957 7.049 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
237 1 34 PHE QE 1 40 PHE QD 3.411 . 4.865 3.664 2.669 4.804 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
238 1 36 TRP HE3 1 40 PHE QE 4.545 . 7.128 3.967 3.255 4.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
239 1 35 HIS HA 1 35 HIS HD2 2.541 . 3.348 2.631 2.410 3.350 0.002 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
240 1 34 PHE QD 1 40 PHE QD 5.129 . 8.417 4.617 3.797 5.341 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
241 1 36 TRP HD1 1 40 PHE QD 4.679 . 7.415 5.163 4.162 6.430 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
242 1 36 TRP HE3 1 40 PHE QD 4.484 . 6.997 3.577 3.214 4.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
243 1 40 PHE HB3 1 40 PHE QE 4.663 . 7.380 4.402 4.377 4.430 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
244 1 40 PHE HB2 1 40 PHE QE 4.104 . 6.210 4.406 4.379 4.428 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
245 1 36 TRP HD1 1 46 ARG HA 4.322 . 6.657 4.721 4.081 5.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
246 1 36 TRP HD1 1 37 ARG HG2 3.168 . 4.423 3.645 2.521 4.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
247 1 36 TRP HD1 1 37 ARG HG3 3.560 . 5.144 3.690 2.587 4.916 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
248 1 36 TRP HD1 1 37 ARG HB2 4.520 . 7.074 5.516 4.869 6.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
249 1 36 TRP HB3 1 36 TRP HD1 2.304 . 2.968 2.587 2.539 2.671 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
250 1 34 PHE QD 1 53 CYS HB3 4.349 . 6.713 3.967 3.065 4.942 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
251 1 32 ALA MB 1 34 PHE QD 3.539 . 5.104 2.510 2.229 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
252 1 27 CYS HB2 1 34 PHE QE 3.493 . 5.018 2.465 1.993 3.122 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
253 1 34 PHE QE 1 39 HIS QB 3.652 . 5.319 3.270 2.690 4.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
254 1 34 PHE QE 1 53 CYS HB3 3.913 . 5.827 2.529 2.205 3.214 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
255 1 32 ALA MB 1 34 PHE QE 3.884 . 5.769 2.661 2.157 3.762 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
256 1 34 PHE QE 1 36 TRP HE3 2.992 . 4.111 2.475 1.951 3.473 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
257 1 34 PHE QE 1 40 PHE QE 3.519 . 5.067 3.375 2.553 4.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
258 1 36 TRP HH2 1 51 LEU HA 4.588 . 7.219 5.262 4.268 6.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
259 1 36 TRP HH2 1 46 ARG HA 4.353 . 6.722 3.990 3.395 4.787 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
260 1 36 TRP HZ2 1 47 PRO QD 3.670 . 5.354 2.920 2.322 3.744 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
261 1 36 TRP HH2 1 44 THR MG 3.813 . 5.631 3.732 3.075 5.249 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
262 1 36 TRP HZ2 1 51 LEU QD 4.633 . 7.316 4.855 4.143 5.371 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
263 1 36 TRP HH2 1 51 LEU QD 4.528 . 7.091 3.931 3.149 4.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
264 1 39 HIS QB 1 39 HIS HE1 4.364 . 6.745 4.353 4.328 4.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
265 1 32 ALA MB 1 39 HIS HE1 3.298 . 4.658 4.568 3.380 4.788 0.130 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
266 1 35 HIS HB3 1 35 HIS HD2 3.303 . 4.667 3.224 2.777 3.400 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
267 1 24 VAL HA 1 35 HIS HD2 2.401 . 3.122 2.060 1.808 3.122 0.000 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
268 1 35 HIS HB2 1 35 HIS HD2 3.185 . 4.453 3.933 3.879 3.961 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
269 1 23 ASP QB 1 35 HIS HD2 3.707 . 6.000 4.291 3.498 4.996 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
270 1 39 HIS QB 1 54 ARG H 4.123 . 5.701 4.463 3.400 5.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
271 1 54 ARG H 1 54 ARG QB 2.758 . 3.709 2.376 2.211 2.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
272 1 24 VAL QG 1 35 HIS HE2 2.804 . 3.787 3.206 2.578 3.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
273 1 24 VAL HA 1 35 HIS HE2 3.485 . 5.003 3.187 2.402 4.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
274 1 20 ASP QB 1 35 HIS HE2 4.602 . 7.249 4.287 3.566 4.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
275 1 28 THR HB 1 29 HIS H 3.859 . 5.721 3.989 3.634 4.353 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
276 1 36 TRP H 1 36 TRP HD1 4.392 . 6.803 5.082 4.809 5.262 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
277 1 36 TRP HZ3 1 52 ARG H 3.726 . 5.462 2.976 2.084 4.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
278 1 25 LEU H 1 35 HIS HD2 3.421 . 4.884 3.236 2.683 4.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
279 1 22 THR H 1 35 HIS HD2 4.477 . 6.982 6.134 5.498 6.856 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
280 1 35 HIS HD2 1 36 TRP H 4.416 . 6.853 4.459 4.147 4.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
281 1 36 TRP H 1 38 CYS H 3.847 . 5.697 4.100 3.856 4.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
282 1 34 PHE H 1 34 PHE QE 3.178 . 4.440 4.304 4.184 4.443 0.003 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
283 1 33 ALA HA 1 34 PHE QD 3.729 . 5.467 3.446 3.106 3.756 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
284 1 40 PHE HB3 1 40 PHE QD 2.795 . 3.771 2.376 2.309 2.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
285 1 24 VAL QG 1 34 PHE H 2.909 . 3.967 2.473 1.959 3.675 0.034 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
286 1 22 THR H 1 24 VAL QG 3.578 . 5.178 4.306 3.474 4.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
287 1 15 CYS H 1 24 VAL QG 3.030 . 4.177 2.743 2.183 3.299 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
288 1 24 VAL QG 1 35 HIS HE1 3.374 . 4.797 4.207 3.050 4.708 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
289 1 24 VAL H 1 24 VAL QG 3.147 . 3.210 2.160 1.741 2.409 0.168 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
290 1 24 VAL QG 1 35 HIS HD2 4.006 . 4.104 2.963 2.296 3.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
291 1 24 VAL QG 1 34 PHE QD 4.992 . 8.107 4.408 4.031 5.218 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
292 1 53 CYS H 1 54 ARG H 4.275 . 6.559 4.539 4.398 4.659 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
293 1 22 THR HA 1 23 ASP H 2.288 . 2.942 2.159 2.119 2.199 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
294 1 22 THR MG 1 23 ASP H 2.917 . 3.981 2.824 2.454 3.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
295 1 23 ASP H 1 23 ASP HA 2.334 . 3.015 2.270 2.256 2.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
296 1 5 GLY H 1 5 GLY HA2 2.717 . 3.640 2.729 2.293 2.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
297 1 4 GLU HA 1 5 GLY H 2.645 . 3.519 2.791 2.125 3.563 0.044 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
298 1 3 MET HA 1 4 GLU H 2.668 . 3.558 2.857 2.106 3.567 0.009 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
299 1 7 GLN H 1 7 GLN HA 2.553 . 3.368 2.751 2.255 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
300 1 6 GLN H 1 7 GLN H 2.536 . 3.340 2.503 1.816 3.396 0.056 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
301 1 7 GLN HA 1 8 ASN H 2.520 . 3.314 2.621 2.141 3.424 0.110 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
302 1 9 LEU H 1 9 LEU HA 2.735 . 3.670 2.871 2.251 2.944 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
303 1 9 LEU H 1 9 LEU HB2 2.195 . 2.797 2.637 2.225 3.350 0.553 28 2 "[ . - 1 . 2 . + 3 . 4 . 5]" 2
304 1 9 LEU HA 1 10 ALA H 2.183 . 2.779 2.242 2.122 2.822 0.043 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
305 1 10 ALA H 1 10 ALA HA 2.603 . 3.450 2.859 2.790 2.921 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
306 1 10 ALA H 1 10 ALA MB 2.354 . 3.047 2.252 2.208 2.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
307 1 11 PRO HA 1 12 GLY H 2.536 . 3.340 2.807 2.167 3.519 0.179 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
308 1 11 PRO HB2 1 12 GLY H 4.294 . 6.599 4.035 2.449 4.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
309 1 10 ALA MB 1 12 GLY H 3.352 . 4.756 3.378 2.398 4.785 0.029 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
310 1 13 ALA H 1 13 ALA MB 2.237 . 2.863 2.362 2.242 2.731 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
311 1 13 ALA HA 1 14 ARG H 2.344 . 3.031 2.329 2.116 2.464 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
312 1 17 VAL H 1 17 VAL HB 2.228 . 2.848 2.560 2.466 2.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
313 1 17 VAL H 1 17 VAL MG2 2.309 . 2.975 2.057 1.896 2.248 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
314 1 17 VAL H 1 18 CYS H 2.360 . 3.056 2.532 2.358 2.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
315 1 17 VAL H 1 39 HIS HD2 4.164 . 6.331 4.939 4.452 5.718 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
316 1 15 CYS HB3 1 17 VAL H 3.770 . 5.547 4.360 4.055 4.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
317 1 17 VAL H 1 18 CYS HB3 4.140 . 6.283 5.766 5.115 6.281 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
318 1 17 VAL HB 1 18 CYS H 2.244 . 2.874 2.815 2.366 2.922 0.048 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
319 1 17 VAL HA 1 18 CYS H 3.206 . 4.491 3.502 3.469 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
320 1 18 CYS H 1 18 CYS HB3 2.990 . 4.107 3.398 2.874 3.708 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
321 1 18 CYS H 1 18 CYS HB2 3.076 . 4.258 3.015 2.405 3.804 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
322 1 18 CYS H 1 19 GLY H 2.301 . 2.963 2.074 1.887 2.304 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
323 1 19 GLY H 1 19 GLY HA2 2.187 . 2.785 2.386 2.299 2.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
324 1 19 GLY H 1 19 GLY HA3 2.768 . 3.726 2.924 2.835 2.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
325 1 18 CYS HA 1 19 GLY H 3.838 . 5.680 3.501 3.407 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
326 1 15 CYS HB3 1 19 GLY H 2.854 . 3.872 3.685 3.013 3.953 0.081 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
327 1 19 GLY H 1 20 ASP H 2.474 . 3.239 2.343 2.009 2.648 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
328 1 17 VAL HB 1 19 GLY H 4.139 . 6.280 4.852 4.327 5.104 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
329 1 20 ASP H 1 20 ASP HA 2.786 . 3.756 2.927 2.894 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
330 1 19 GLY HA2 1 20 ASP H 3.202 . 4.484 3.245 2.859 3.439 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
331 1 19 GLY HA3 1 20 ASP H 3.455 . 4.947 3.244 2.995 3.490 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
332 1 15 CYS HB3 1 20 ASP H 2.816 . 3.807 3.418 2.803 3.828 0.021 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
333 1 20 ASP H 1 20 ASP QB 2.321 . 2.994 2.445 2.272 2.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
334 1 15 CYS HB2 1 20 ASP H 4.532 . 7.100 5.133 4.495 5.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
335 1 20 ASP H 1 24 VAL QG 4.563 . 7.165 5.582 5.079 6.160 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
336 1 21 GLY H 1 21 GLY HA2 2.987 . 4.102 2.954 2.940 2.961 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
337 1 20 ASP QB 1 21 GLY H 3.605 . 5.229 3.153 2.608 3.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
338 1 14 ARG QG 1 21 GLY H 3.421 . 4.884 3.438 2.676 4.688 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
339 1 21 GLY H 1 24 VAL QG 4.260 . 6.528 4.714 4.207 5.013 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
340 1 22 THR H 1 22 THR HA 2.555 . 3.371 2.865 2.806 2.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
341 1 21 GLY HA3 1 22 THR H 3.079 . 4.264 3.389 3.204 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
342 1 20 ASP QB 1 22 THR H 3.857 . 5.716 2.945 2.113 3.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
343 1 22 THR H 1 22 THR HB 2.456 . 3.210 2.603 2.511 2.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
344 1 22 THR H 1 22 THR MG 3.075 . 4.257 3.601 1.959 3.783 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
345 1 23 ASP H 1 24 VAL H 3.035 . 4.187 2.854 2.647 3.233 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
346 1 23 ASP H 1 23 ASP QB 3.337 . 4.729 3.086 2.871 3.334 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
347 1 23 ASP HA 1 24 VAL H 3.075 . 4.257 2.592 2.412 2.770 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
348 1 24 VAL H 1 24 VAL HB 3.494 . 5.020 2.810 2.432 3.707 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
349 1 25 LEU H 1 34 PHE H 2.938 . 4.017 2.989 2.680 3.403 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
350 1 25 LEU H 1 35 HIS HB3 4.404 . 6.828 5.283 4.688 5.557 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
351 1 25 LEU H 1 25 LEU HG 2.418 . 3.149 2.709 2.492 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
352 1 25 LEU H 1 25 LEU HB2 2.652 . 3.531 2.440 2.276 2.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
353 1 25 LEU HA 1 26 ARG H 2.300 . 2.961 2.268 2.194 2.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
354 1 25 LEU HB2 1 26 ARG H 3.084 . 4.273 3.867 3.591 4.070 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
355 1 27 CYS H 1 32 ALA MB 3.135 . 4.363 3.045 2.736 3.373 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
356 1 27 CYS H 1 34 PHE QE 3.660 . 5.334 3.238 2.369 4.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
357 1 27 CYS HA 1 28 THR H 2.094 . 2.642 2.212 2.150 2.271 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
358 1 28 THR H 1 52 ARG HA 2.865 . 3.891 3.345 2.814 3.852 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
359 1 27 CYS HB3 1 28 THR H 4.032 . 6.064 3.906 3.709 4.109 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
360 1 28 THR H 1 29 HIS H 2.521 . 3.315 2.345 2.167 2.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
361 1 28 THR H 1 51 LEU QD 4.269 . 6.547 4.123 3.621 4.988 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
362 1 29 HIS H 1 29 HIS QB 2.402 . 3.123 2.376 2.219 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
363 1 29 HIS H 1 52 ARG HA 3.482 . 4.997 3.871 3.385 4.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
364 1 29 HIS H 1 29 HIS HD2 2.979 . 4.088 3.066 2.634 4.453 0.365 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
365 1 29 HIS QB 1 30 CYS H 3.138 . 3.355 3.072 2.866 3.262 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
366 1 30 CYS H 1 30 CYS HB2 2.791 . 3.765 3.873 2.909 4.006 0.241 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
367 1 27 CYS HB3 1 30 CYS H 2.687 . 3.590 2.524 2.166 2.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
368 1 28 THR MG 1 30 CYS H 4.054 . 6.109 5.330 4.473 5.516 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
369 1 30 CYS H 1 31 ALA H 2.632 . 6.000 4.297 4.239 4.376 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
370 1 29 HIS H 1 30 CYS H 2.273 . 2.919 2.148 1.802 2.327 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
371 1 27 CYS HB3 1 31 ALA H 2.965 . 4.064 4.261 4.218 4.324 0.260 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
372 1 31 ALA H 1 31 ALA MB 2.724 . 3.652 2.364 2.322 2.383 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
373 1 27 CYS HB2 1 31 ALA H 3.943 . 5.887 5.557 5.457 5.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
374 1 30 CYS HB2 1 31 ALA H 5.352 . 8.933 2.298 2.079 3.198 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
375 1 30 CYS HA 1 31 ALA H 3.838 . 5.679 2.712 2.447 2.859 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
376 1 31 ALA H 1 32 ALA H 3.481 . 4.995 4.289 4.203 4.428 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
377 1 31 ALA HA 1 32 ALA H 2.670 . 3.561 2.140 2.115 2.166 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
378 1 27 CYS HB3 1 32 ALA H 2.875 . 3.908 3.403 2.874 3.995 0.087 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
379 1 27 CYS HB2 1 32 ALA H 3.466 . 4.968 3.813 3.321 4.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
380 1 32 ALA H 1 32 ALA MB 2.495 . 3.273 2.810 2.752 2.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
381 1 34 PHE H 1 34 PHE QD 3.262 . 4.592 2.832 2.558 3.121 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
382 1 33 ALA MB 1 34 PHE H 3.469 . 4.973 3.280 3.136 3.330 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
383 1 34 PHE H 1 34 PHE HB3 3.002 . 4.129 3.390 3.274 3.468 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
384 1 34 PHE H 1 34 PHE HB2 3.548 . 5.121 3.948 3.904 4.002 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
385 1 24 VAL HA 1 34 PHE H 4.316 . 6.644 4.468 3.764 4.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
386 1 34 PHE HB2 1 35 HIS H 3.689 . 5.390 2.594 2.081 3.056 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
387 1 25 LEU HB2 1 36 TRP H 2.734 . 3.668 3.710 3.543 3.793 0.125 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
388 1 25 LEU HG 1 36 TRP H 3.234 . 4.541 3.362 2.953 3.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
389 1 36 TRP H 1 36 TRP HA 2.754 . 3.702 2.776 2.717 2.823 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
390 1 35 HIS HA 1 36 TRP H 2.380 . 3.088 2.204 2.125 2.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
391 1 36 TRP H 1 37 ARG H 2.699 . 3.609 2.798 2.549 3.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
392 1 37 ARG H 1 37 ARG HA 2.527 . 3.325 2.833 2.778 2.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
393 1 35 HIS HA 1 37 ARG H 3.899 . 5.800 4.206 3.649 4.631 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
394 1 35 HIS HB3 1 37 ARG H 2.950 . 4.038 3.143 2.649 3.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
395 1 37 ARG H 1 38 CYS H 2.477 . 3.244 2.612 2.472 2.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
396 1 37 ARG H 1 39 HIS H 3.766 . 5.539 4.098 3.838 4.311 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
397 1 35 HIS HB3 1 38 CYS H 3.005 . 4.133 3.347 2.636 4.080 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
398 1 38 CYS H 1 39 HIS QB 5.547 . 9.393 4.217 3.977 4.619 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
399 1 35 HIS H 1 38 CYS H 4.257 . 6.522 4.275 4.061 4.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
400 1 38 CYS H 1 40 PHE H 4.079 . 6.158 3.908 3.514 4.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
401 1 39 HIS H 1 39 HIS QB 3.142 . 3.370 2.273 2.177 2.400 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
402 1 38 CYS HB2 1 39 HIS H 2.672 . 3.565 3.090 2.907 3.566 0.001 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
403 1 38 CYS H 1 39 HIS H 2.238 . 2.864 2.352 2.188 2.647 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
404 1 39 HIS H 1 39 HIS HD2 2.801 . 3.782 3.414 2.926 3.800 0.018 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
405 1 37 ARG HA 1 40 PHE H 2.707 . 3.623 3.479 3.072 3.688 0.065 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
406 1 39 HIS H 1 40 PHE H 2.214 . 2.827 2.185 1.962 2.422 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
407 1 40 PHE H 1 40 PHE QE 3.573 . 5.169 4.828 4.496 5.141 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
408 1 40 PHE H 1 40 PHE QD 3.301 . 4.663 2.781 2.389 3.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
409 1 40 PHE H 1 40 PHE HB2 2.602 . 3.448 2.596 2.497 2.770 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
410 1 40 PHE H 1 40 PHE HB3 3.104 . 4.308 3.745 3.689 3.847 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
411 1 25 LEU H 1 33 ALA HA 3.968 . 5.936 4.390 3.984 4.779 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
412 1 41 PRO HA 1 42 ALA H 2.320 . 6.000 2.561 2.163 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
413 1 42 ALA H 1 42 ALA MB 2.215 . 2.828 2.242 2.216 2.299 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
414 1 41 PRO HB2 1 42 ALA H 2.983 . 6.000 3.178 2.114 4.147 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
415 1 44 THR H 1 45 SER HA 2.498 . 6.000 5.206 4.708 5.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
416 1 43 GLY HA2 1 44 THR H 3.106 . 4.312 3.288 2.566 3.513 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
417 1 44 THR H 1 44 THR MG 3.387 . 4.821 3.789 3.699 3.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
418 1 42 ALA H 1 44 THR H 3.479 . 4.992 4.082 3.158 4.727 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
419 1 36 TRP HE1 1 44 THR H 4.067 . 6.134 4.479 3.725 5.803 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
420 1 44 THR HA 1 45 SER H 2.243 . 2.872 2.206 2.138 2.307 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
421 1 44 THR MG 1 45 SER H 2.937 . 4.015 2.519 2.136 3.351 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
422 1 44 THR H 1 45 SER H 3.695 . 5.402 4.518 4.136 4.636 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
423 1 46 ARG H 1 46 ARG HA 2.638 . 3.508 2.864 2.778 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
424 1 45 SER HA 1 46 ARG H 2.022 . 2.533 2.193 2.089 2.341 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
425 1 46 ARG H 1 46 ARG HB2 2.676 . 3.571 2.920 2.440 3.627 0.056 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
426 1 46 ARG H 1 46 ARG HB3 2.308 . 2.974 2.637 2.337 3.629 0.655 13 5 "[ * .- * + . 2 . 3 * . 4 . 5]" 2
427 1 48 GLY H 1 49 THR H 2.804 . 3.787 2.367 2.056 2.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
428 1 49 THR HA 1 50 GLY H 2.547 . 3.358 2.795 2.148 3.528 0.170 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
429 1 51 LEU H 1 51 LEU HA 2.460 . 3.217 2.849 2.804 2.910 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
430 1 51 LEU H 1 51 LEU QD 3.604 . 5.227 3.459 2.524 3.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
431 1 52 ARG H 1 52 ARG HA 2.874 . 3.906 2.943 2.928 2.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
432 1 51 LEU HA 1 52 ARG H 2.066 . 2.599 2.158 2.121 2.220 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
433 1 53 CYS H 1 53 CYS HA 2.848 . 3.862 2.868 2.840 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
434 1 27 CYS HA 1 53 CYS H 3.518 . 5.065 3.817 3.505 4.453 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
435 1 53 CYS H 1 53 CYS HB2 2.980 . 4.090 3.611 3.571 3.718 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
436 1 53 CYS H 1 53 CYS HB3 2.573 . 3.400 2.512 2.399 2.897 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
437 1 53 CYS HA 1 54 ARG H 2.654 . 3.535 2.654 2.473 2.757 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
438 1 53 CYS HB2 1 54 ARG H 2.327 . 3.004 2.250 1.991 2.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
439 1 53 CYS HB3 1 54 ARG H 3.807 . 5.619 3.733 3.528 4.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
440 1 56 CYS H 1 56 CYS QB 2.740 . 3.678 2.421 2.291 2.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
441 1 52 ARG HA 1 57 SER H 4.512 . 7.057 5.341 4.814 5.810 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
442 1 57 SER HA 1 58 GLY H 3.025 . 4.169 3.278 3.036 3.399 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
443 1 59 ASP H 1 59 ASP HA 2.893 . 3.939 2.919 2.899 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
444 1 60 VAL H 1 60 VAL HA 2.759 . 3.710 2.921 2.893 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
445 1 59 ASP HA 1 60 VAL H 2.437 . 3.179 2.402 2.106 3.346 0.167 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
446 1 60 VAL H 1 60 VAL HB 2.665 . 3.552 2.913 2.510 3.720 0.168 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
447 1 59 ASP HB3 1 60 VAL H 3.455 . 4.947 4.012 2.840 4.634 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
448 1 61 THR H 1 61 THR HA 2.814 . 3.804 2.891 2.776 2.944 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
449 1 60 VAL HA 1 61 THR H 2.143 . 2.717 2.251 2.118 2.771 0.054 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
450 1 60 VAL HB 1 61 THR H 3.358 . 4.768 4.203 2.505 4.437 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
451 1 62 PRO HA 1 63 ALA H 2.176 . 2.768 2.186 2.140 2.331 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
452 1 62 PRO HB3 1 63 ALA H 3.531 . 5.089 3.690 3.249 3.954 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
453 1 63 ALA H 1 63 ALA MB 2.592 . 3.432 2.279 2.225 2.408 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
454 1 64 PRO HA 1 65 VAL H 2.280 . 2.930 2.431 2.137 3.044 0.114 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
455 1 64 PRO HD3 1 65 VAL H 4.926 . 7.959 5.112 4.292 5.700 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
456 1 65 VAL H 1 65 VAL HB 2.902 . 3.955 3.154 2.510 3.808 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
457 1 65 VAL H 1 65 VAL MG2 3.033 . 4.183 2.558 1.815 3.966 0.068 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
458 1 66 GLU H 1 66 GLU HA 2.510 . 3.297 2.924 2.896 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
459 1 14 ARG HA 1 15 CYS H 2.719 . 3.643 2.235 2.128 2.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
460 1 15 CYS H 1 15 CYS HB3 2.972 . 4.076 2.374 2.200 2.512 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
461 1 15 CYS H 1 15 CYS HB2 3.086 . 4.276 2.664 2.434 2.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
462 1 21 GLY H 1 21 GLY HA3 2.396 . 3.114 2.458 2.387 2.548 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
463 1 14 ARG HA 1 21 GLY H 4.001 . 6.002 4.567 3.619 5.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
464 1 26 ARG H 1 27 CYS H 4.376 . 6.769 4.451 4.320 4.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
465 1 28 THR MG 1 29 HIS H 3.379 . 4.806 4.062 2.767 4.314 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
466 1 39 HIS HE1 1 54 ARG H 3.052 . 4.216 3.124 2.074 4.295 0.079 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
467 1 54 ARG H 1 55 SER H 2.982 . 4.093 2.741 2.557 2.928 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
468 1 22 THR H 1 35 HIS HE2 3.130 . 4.354 3.687 3.123 4.370 0.016 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
469 1 39 HIS H 1 54 ARG H 5.108 . 8.370 7.737 6.975 8.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
470 1 36 TRP H 1 39 HIS H 4.750 . 7.571 5.031 4.702 5.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
471 1 8 ASN H 1 8 ASN HD22 4.733 . 7.533 5.121 3.181 6.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
472 1 36 TRP HE1 1 40 PHE QD 4.557 . 7.153 4.735 3.959 5.858 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
473 1 36 TRP HE1 1 45 SER HA 2.931 . 4.005 3.648 3.031 4.054 0.049 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
474 1 36 TRP HE1 1 46 ARG HA 3.354 . 4.760 3.458 3.025 4.080 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
475 1 36 TRP HE1 1 40 PHE HB3 3.690 . 5.392 4.042 3.510 5.091 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
476 1 36 TRP HE1 1 46 ARG HB2 3.292 . 4.647 4.101 2.938 5.228 0.581 10 2 "[ . + - . 2 . 3 . 4 . 5]" 2
477 1 59 ASP HB3 1 61 THR H 4.676 . 7.409 5.686 3.116 7.992 0.583 6 1 "[ .+ 1 . 2 . 3 . 4 . 5]" 2
478 1 46 ARG H 1 46 ARG HE 4.940 . 7.990 4.661 3.002 6.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
479 1 49 THR H 1 49 THR MG 2.856 . 3.876 2.813 1.990 3.940 0.064 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
480 1 49 THR H 1 49 THR HA 2.742 . 3.682 2.919 2.896 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
481 1 41 PRO HD3 1 41 PRO HG3 2.004 . 2.506 2.011 1.981 2.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
482 1 34 PHE QE 1 39 HIS HE1 4.075 . 6.151 4.823 3.934 5.926 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
483 1 39 HIS HE1 1 54 ARG QG 3.340 . 4.735 4.048 2.202 4.806 0.071 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
484 1 25 LEU HB2 1 34 PHE QD 3.898 . 5.798 3.618 3.288 3.799 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
485 1 34 PHE QE 1 51 LEU HB3 3.436 . 4.912 3.664 2.035 4.181 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
486 1 62 PRO HD3 1 62 PRO QG 2.433 . 3.173 2.212 2.176 2.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
487 1 25 LEU HB3 1 34 PHE QE 4.134 . 6.271 4.152 3.323 4.661 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
488 1 11 PRO HD2 1 11 PRO QG 2.140 . 2.713 2.009 1.984 2.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
489 1 10 ALA MB 1 11 PRO HD3 2.754 . 3.702 3.142 2.641 3.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
490 1 10 ALA MB 1 11 PRO HD2 3.319 . 4.696 2.473 1.988 2.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
491 1 6 GLN HA 1 6 GLN HB3 2.260 . 2.898 2.324 2.144 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
492 1 6 GLN HA 1 6 GLN HB2 2.839 . 3.847 2.202 2.029 2.334 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
493 1 6 GLN HA 1 6 GLN QG 2.876 . 3.910 2.735 2.393 3.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
494 1 8 ASN HA 1 8 ASN QB 2.495 . 3.273 2.354 2.177 2.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
495 1 40 PHE HZ 1 44 THR MG 3.971 . 5.942 3.960 2.562 4.729 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
496 1 40 PHE QD 1 41 PRO QD 4.792 . 7.662 3.393 2.681 4.440 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
497 1 36 TRP HH2 1 47 PRO QG 3.914 . 5.829 3.281 2.821 4.121 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
498 1 9 LEU HB3 1 9 LEU MD1 2.407 . 3.131 2.044 1.972 2.099 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
499 1 10 ALA HA 1 11 PRO HD2 1.937 . 2.406 2.068 1.855 2.413 0.007 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
500 1 10 ALA HA 1 11 PRO QG 4.357 . 6.730 3.811 3.686 3.997 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
501 1 11 PRO HA 1 11 PRO HB3 2.579 . 3.410 2.272 2.254 2.288 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
502 1 14 ARG HA 1 14 ARG QD 4.200 . 6.405 4.032 2.079 4.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
503 1 14 ARG HA 1 14 ARG QB 2.324 . 2.999 2.149 2.113 2.275 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
504 1 14 ARG HB2 1 14 ARG QD 3.196 . 4.473 2.643 2.286 3.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
505 1 14 ARG HB3 1 14 ARG QD 3.016 . 4.153 2.549 2.281 3.284 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
506 1 26 ARG QD 1 33 ALA MB 3.476 . 4.987 2.875 2.352 3.511 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
507 1 24 VAL QG 1 26 ARG QD 3.265 . 4.598 2.995 1.987 4.291 0.010 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
508 1 17 VAL HA 1 17 VAL QG 2.026 . 2.539 2.135 2.124 2.143 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
509 1 17 VAL HB 1 17 VAL QG 1.938 . 2.408 1.896 1.895 1.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
510 1 14 ARG HB2 1 21 GLY HA2 3.241 . 4.554 3.193 2.419 4.310 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
511 1 25 LEU QD 1 25 LEU HG 1.981 . 2.471 1.894 1.892 1.897 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
512 1 25 LEU HA 1 25 LEU QD 2.031 . 2.547 2.013 1.922 2.100 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
513 1 26 ARG HA 1 26 ARG QD 2.363 . 3.061 2.231 2.030 3.101 0.040 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
514 1 26 ARG HA 1 26 ARG QB 2.349 . 3.039 2.394 2.283 2.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
515 1 26 ARG HB2 1 26 ARG QD 3.026 . 4.171 3.109 2.207 3.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
516 1 26 ARG HB3 1 26 ARG QD 3.514 . 5.058 3.000 2.336 3.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
517 1 26 ARG QD 1 26 ARG HG3 2.392 . 3.107 2.302 2.168 2.447 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
518 1 26 ARG QB 1 27 CYS HA 3.503 . 5.037 4.489 4.260 4.873 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
519 1 26 ARG QD 1 33 ALA HA 2.427 . 3.163 2.727 2.127 3.263 0.100 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
520 1 36 TRP HA 1 36 TRP QB 2.346 . 3.034 2.370 2.292 2.424 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
521 1 37 ARG HA 1 37 ARG QB 2.287 . 2.941 2.189 2.149 2.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
522 1 37 ARG HB2 1 37 ARG QD 2.732 . 3.665 2.566 2.279 3.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
523 1 37 ARG HA 1 37 ARG QD 3.364 . 4.778 4.011 1.960 4.271 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
524 1 37 ARG HB2 1 37 ARG HD2 2.089 . 2.634 1.986 1.953 2.081 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
525 1 37 ARG QD 1 37 ARG HG2 2.601 . 3.447 2.296 2.169 2.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
526 1 37 ARG QD 1 37 ARG HG3 2.446 . 3.194 2.287 2.169 2.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
527 1 38 CYS HA 1 38 CYS HB3 2.422 . 3.155 2.152 2.035 2.216 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
528 1 35 HIS HB3 1 38 CYS HB3 3.978 . 5.956 4.157 3.628 4.281 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
529 1 17 VAL QG 1 38 CYS HB3 2.394 . 3.110 2.080 1.925 2.318 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
530 1 17 VAL QG 1 38 CYS HB2 3.468 . 4.972 3.090 2.153 3.434 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
531 1 17 VAL QG 1 39 HIS HA 3.223 . 4.522 3.590 2.848 4.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
532 1 41 PRO HB2 1 41 PRO QD 3.405 . 4.854 3.190 2.830 3.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
533 1 41 PRO HB3 1 41 PRO QD 3.152 . 4.394 3.238 2.841 3.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
534 1 41 PRO HD2 1 41 PRO QG 2.394 . 3.110 2.216 2.177 2.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
535 1 40 PHE HA 1 41 PRO QG 4.970 . 8.057 3.890 3.674 4.142 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
536 1 41 PRO HA 1 41 PRO QG 3.314 . 4.687 2.915 2.622 3.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
537 1 44 THR HA 1 44 THR MG 2.098 . 2.648 1.978 1.950 2.006 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
538 1 45 SER HA 1 45 SER QB 2.211 . 2.822 2.317 2.176 2.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
539 1 46 ARG HA 1 47 PRO QG 4.533 . 7.102 3.831 3.736 3.938 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
540 1 46 ARG HB3 1 46 ARG QD 2.874 . 3.907 2.604 2.303 3.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
541 1 46 ARG HB2 1 46 ARG QD 2.909 . 3.967 2.562 2.328 3.107 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
542 1 46 ARG HA 1 46 ARG QG 3.014 . 4.149 2.753 2.404 3.361 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
543 1 47 PRO QD 1 47 PRO QG 2.201 . 2.801 1.964 1.954 1.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
544 1 46 ARG QG 1 47 PRO QD 3.725 . 5.459 3.110 2.191 4.281 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
545 1 47 PRO HA 1 47 PRO QG 3.202 . 4.484 3.391 2.955 3.513 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
546 1 28 THR MG 1 50 GLY QA 2.795 . 3.771 2.409 1.890 3.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
547 1 34 PHE QE 1 51 LEU HB3 3.584 . 5.190 4.165 2.151 5.005 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
548 1 34 PHE QE 1 51 LEU HB2 4.237 . 6.481 5.291 3.625 5.881 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
549 1 51 LEU QD 1 51 LEU HG 2.770 . 3.729 1.890 1.882 1.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
550 1 27 CYS HA 1 52 ARG HA 2.854 . 3.872 3.362 2.945 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
551 1 52 ARG HA 1 52 ARG QD 3.730 . 5.469 4.047 3.907 4.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
552 1 52 ARG HA 1 52 ARG QB 2.215 . 2.828 2.369 2.176 2.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
553 1 52 ARG QB 1 56 CYS QB 3.315 . 4.689 2.385 1.798 3.690 0.143 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
554 1 52 ARG QB 1 52 ARG HD2 2.349 . 3.039 2.105 1.859 2.342 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
555 1 52 ARG QB 1 57 SER HB2 3.175 . 4.435 3.014 1.848 4.641 0.206 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
556 1 51 LEU HA 1 52 ARG HB2 3.408 . 4.860 3.153 2.329 3.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
557 1 52 ARG QB 1 52 ARG HD2 2.056 . 2.584 1.934 1.894 1.994 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
558 1 52 ARG QD 1 57 SER HA 2.809 . 3.796 2.754 2.063 3.852 0.056 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
559 1 54 ARG HD2 1 54 ARG QG 2.346 . 3.034 2.295 2.168 2.474 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
560 1 54 ARG HD3 1 54 ARG QG 2.315 . 2.985 2.300 2.153 2.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
561 1 55 SER HA 1 55 SER QB 2.299 . 2.960 2.345 2.281 2.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
562 1 54 ARG QG 1 55 SER HA 3.449 . 4.936 3.466 3.133 4.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
563 1 55 SER QB 1 56 CYS QB 4.437 . 6.898 4.321 3.694 4.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
564 1 52 ARG QD 1 57 SER HA 2.738 . 3.675 2.696 2.055 3.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
565 1 52 ARG QB 1 57 SER HA 2.758 . 3.709 3.224 2.336 3.826 0.117 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
566 1 57 SER HA 1 57 SER QB 2.540 . 3.347 2.315 2.183 2.456 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
567 1 52 ARG QB 1 57 SER QB 2.968 . 4.069 2.787 1.843 4.042 0.024 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
568 1 40 PHE QE 1 57 SER QB 3.900 . 5.801 3.351 2.363 4.284 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
569 1 40 PHE HZ 1 57 SER QB 3.235 . 4.543 2.700 1.904 3.864 0.023 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
570 1 59 ASP HA 1 59 ASP QB 2.406 . 3.130 2.315 2.181 2.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
571 1 60 VAL HB 1 60 VAL QG 2.156 . 2.737 1.896 1.893 1.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
572 1 11 PRO HA 1 11 PRO HB2 2.232 . 2.855 2.121 2.074 2.163 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
573 1 10 ALA HA 1 10 ALA MB 2.111 . 2.668 1.898 1.894 1.901 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
574 1 11 PRO HB2 1 11 PRO HD3 3.231 . 4.536 2.742 2.523 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
575 1 11 PRO HB3 1 11 PRO HD3 3.153 . 4.395 3.064 2.803 3.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
576 1 11 PRO HB2 1 11 PRO HD2 3.937 . 5.875 3.189 2.847 3.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
577 1 65 VAL HA 1 65 VAL QG 2.913 . 3.973 2.239 2.128 2.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
578 1 7 GLN HA 1 7 GLN QG 3.194 . 4.469 2.758 2.336 3.447 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
579 1 14 ARG QD 1 19 GLY HA3 4.092 . 6.185 4.734 3.720 6.185 0.000 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
580 1 50 GLY QA 1 52 ARG QG 3.664 . 5.342 3.900 3.403 5.210 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
581 1 48 GLY QA 1 49 THR MG 3.292 . 4.646 3.909 3.331 4.901 0.255 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
582 1 26 ARG HA 1 33 ALA MB 3.593 . 5.207 3.656 3.355 3.819 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
583 1 17 VAL MG1 1 18 CYS HB2 3.636 . 5.289 3.656 2.534 4.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
584 1 27 CYS H 1 32 ALA MB 2.467 . 3.228 2.588 2.479 2.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
585 1 16 GLY H 1 16 GLY QA 2.633 . 3.499 2.206 2.187 2.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
586 1 55 SER QB 1 56 CYS H 2.581 . 3.414 2.496 2.247 2.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
587 1 28 THR H 1 52 ARG QG 4.056 . 6.113 3.670 3.143 3.869 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
588 1 36 TRP HD1 1 37 ARG QD 4.237 . 6.481 5.005 2.437 5.890 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
589 1 27 CYS HA 1 34 PHE QE 2.846 . 3.858 3.158 2.098 3.814 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
590 1 34 PHE QE 1 51 LEU QD 3.309 . 3.545 2.051 1.818 2.290 0.122 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
591 1 25 LEU HB2 1 34 PHE QE 3.081 . 4.268 3.853 3.353 4.163 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
592 1 25 LEU QD 1 34 PHE QE 3.948 . 5.897 3.678 3.058 4.133 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
593 1 34 PHE QE 1 51 LEU HG 3.361 . 4.773 4.177 2.483 4.516 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
594 1 34 PHE QE 1 36 TRP HZ3 3.408 . 4.860 3.292 2.400 4.487 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
595 1 36 TRP HZ2 1 45 SER HA 4.152 . 6.307 4.724 3.689 5.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
596 1 34 PHE QE 1 53 CYS HB2 4.540 . 7.116 3.322 2.822 4.250 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
597 1 36 TRP QB 1 36 TRP HE1 4.410 . 6.841 4.407 4.374 4.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
598 1 34 PHE QE 1 52 ARG HA 3.745 . 5.498 4.044 3.435 4.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
599 1 4 GLU H 1 4 GLU QB 2.828 . 3.828 2.580 2.240 3.418 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
600 1 4 GLU QB 1 5 GLY H 3.620 . 5.258 3.250 1.873 3.994 0.109 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
601 1 5 GLY QA 1 6 GLN H 2.650 . 3.528 2.446 2.094 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
602 1 6 GLN H 1 6 GLN QG 3.086 . 4.276 3.085 1.876 4.388 0.112 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
603 1 6 GLN H 1 7 GLN QB 3.464 . 4.964 4.545 3.687 5.034 0.070 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
604 1 7 GLN H 1 7 GLN QG 3.069 . 4.246 3.046 1.859 4.214 0.033 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
605 1 7 GLN H 1 7 GLN QB 2.603 . 3.450 2.664 2.251 3.365 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
606 1 8 ASN H 1 8 ASN QB 2.910 . 3.969 2.505 2.255 3.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
607 1 7 GLN QG 1 8 ASN H 3.588 . 5.197 4.041 2.457 4.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
608 1 7 GLN QB 1 8 ASN H 3.284 . 4.632 3.678 1.983 4.051 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
609 1 8 ASN QB 1 9 LEU H 3.458 . 4.953 3.494 2.213 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
610 1 9 LEU H 1 9 LEU QD 3.523 . 5.075 3.239 1.944 4.087 0.027 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
611 1 10 ALA H 1 11 PRO QD 4.275 . 6.560 4.289 4.183 4.402 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
612 1 12 GLY H 1 12 GLY QA 2.600 . 3.445 2.280 2.197 2.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
613 1 12 GLY QA 1 13 ALA H 2.383 . 3.093 2.536 2.112 2.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
614 1 14 ARG H 1 14 ARG QB 2.533 . 3.335 2.784 2.533 3.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
615 1 15 CYS HA 1 16 GLY H 2.517 . 3.309 2.097 2.074 2.117 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
616 1 16 GLY QA 1 17 VAL H 2.507 . 3.293 2.540 2.489 2.578 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
617 1 17 VAL QG 1 18 CYS H 3.099 . 4.299 3.335 3.130 3.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
618 1 17 VAL QG 1 19 GLY H 4.556 . 7.151 4.702 4.384 4.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
619 1 15 CYS H 1 20 ASP H 3.102 . 4.305 3.615 3.153 3.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
620 1 25 LEU H 1 25 LEU QD 2.817 . 3.809 3.296 3.113 3.445 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
621 1 25 LEU QD 1 26 ARG H 3.275 . 4.616 3.284 2.965 3.471 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
622 1 26 ARG H 1 26 ARG QB 2.489 . 3.264 2.489 2.303 2.750 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
623 1 28 THR HA 1 29 HIS H 2.967 . 4.067 3.218 3.138 3.263 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
624 1 26 ARG QD 1 34 PHE H 4.758 . 7.587 4.222 3.366 5.011 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
625 1 36 TRP H 1 36 TRP QB 2.137 . 2.708 2.241 2.177 2.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
626 1 35 HIS HB2 1 37 ARG H 2.288 . 2.942 2.510 2.326 2.744 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
627 1 37 ARG QB 1 38 CYS H 3.128 . 4.351 2.960 2.522 3.303 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
628 1 38 CYS HA 1 39 HIS H 2.711 . 3.630 2.776 2.758 2.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
629 1 17 VAL QG 1 39 HIS H 4.014 . 6.028 4.271 3.913 4.865 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
630 1 41 PRO HB3 1 42 ALA H 2.832 . 3.835 3.402 2.622 4.219 0.384 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
631 1 41 PRO QD 1 42 ALA H 3.395 . 4.835 4.344 2.019 4.969 0.134 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
632 1 45 SER H 1 45 SER QB 2.781 . 3.748 2.511 2.285 2.855 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
633 1 45 SER QB 1 46 ARG H 2.962 . 4.059 3.190 2.577 3.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
634 1 46 ARG H 1 46 ARG QD 4.709 . 7.481 4.356 3.669 4.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
635 1 50 GLY H 1 50 GLY QA 2.372 . 3.075 2.330 2.191 2.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
636 1 50 GLY QA 1 51 LEU H 2.240 . 2.867 2.313 2.093 2.712 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
637 1 51 LEU H 1 51 LEU QB 2.048 . 2.572 2.151 2.039 2.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
638 1 51 LEU QB 1 52 ARG H 2.730 . 3.662 2.743 2.172 3.120 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
639 1 52 ARG H 1 52 ARG QD 4.266 . 6.541 4.386 3.905 4.880 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
640 1 50 GLY QA 1 52 ARG H 3.998 . 5.996 5.144 5.026 5.457 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
641 1 52 ARG QB 1 53 CYS H 2.734 . 3.669 3.024 2.733 3.254 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
642 1 34 PHE QE 1 53 CYS H 3.959 . 5.918 3.411 2.971 3.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
643 1 53 CYS H 1 56 CYS H 3.740 . 5.488 3.597 3.165 3.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
644 1 54 ARG H 1 54 ARG QB 2.319 . 2.991 2.317 1.990 2.505 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
645 1 54 ARG QG 1 55 SER H 3.186 . 4.455 2.893 1.900 4.062 0.017 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
646 1 56 CYS QB 1 57 SER H 2.921 . 3.987 3.019 2.665 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
647 1 52 ARG QB 1 57 SER H 3.213 . 4.504 3.298 2.890 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
648 1 58 GLY H 1 58 GLY QA 2.392 . 3.107 2.310 2.196 2.500 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
649 1 58 GLY QA 1 59 ASP H 2.490 . 3.265 2.369 2.069 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
650 1 59 ASP H 1 59 ASP QB 2.642 . 3.515 2.528 2.275 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
651 1 60 VAL H 1 60 VAL QG 2.557 . 3.374 2.210 1.790 2.689 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
652 1 60 VAL QG 1 61 THR H 3.053 . 4.218 3.044 2.266 3.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
653 1 66 GLU H 1 66 GLU QB 3.014 . 4.150 2.542 2.299 3.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
654 1 3 MET H 1 4 GLU QB 4.730 . 7.526 4.767 3.589 6.374 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
655 1 14 ARG HB3 1 15 CYS H 3.506 . 5.042 2.697 2.245 3.363 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
656 1 53 CYS H 1 57 SER QB 3.826 . 5.656 4.947 3.918 5.679 0.023 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
657 1 37 ARG H 1 37 ARG QB 2.115 . 2.674 2.061 1.879 2.395 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
658 1 18 CYS HB3 1 19 GLY H 4.081 . 6.163 3.625 3.401 3.787 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
659 1 57 SER H 1 57 SER QB 2.238 . 2.864 2.504 2.262 2.886 0.022 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
660 1 17 VAL QG 1 38 CYS H 5.290 . 8.788 4.573 4.380 4.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
661 1 34 PHE QE 1 54 ARG H 4.138 . 6.278 4.339 3.968 5.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
662 1 14 ARG QD 1 15 CYS H 5.263 . 8.725 4.634 3.196 5.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
663 1 34 PHE QE 1 52 ARG H 3.475 . 4.984 3.965 2.918 4.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
664 1 36 TRP HE1 1 47 PRO QD 3.844 . 5.691 4.467 3.734 5.232 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
665 1 36 TRP HE1 1 46 ARG QD 4.074 . 6.148 5.411 4.580 6.182 0.034 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
666 1 26 ARG QD 1 26 ARG HE 3.450 . 4.938 2.448 2.189 2.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
667 1 26 ARG HB3 1 26 ARG HE 3.513 . 5.055 2.368 1.841 3.468 0.130 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
668 1 54 ARG HE 1 54 ARG QG 3.051 . 4.214 2.401 2.193 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
669 1 37 ARG QD 1 37 ARG HE 3.533 . 5.093 2.454 2.240 2.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
670 1 37 ARG HB3 1 37 ARG HE 3.947 . 5.895 2.462 1.941 3.070 0.058 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
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