Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
424198 | 2fo8 RC | 6876 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2fo8
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 2324
_Distance_constraint_stats_list.Viol_count 2512
_Distance_constraint_stats_list.Viol_total 4763.616
_Distance_constraint_stats_list.Viol_max 2.784
_Distance_constraint_stats_list.Viol_rms 0.0531
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.1264
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 HIS 18.787 1.051 2 12 "[*+ **-* *1*****]"
1 5 LYS 0.721 0.220 14 0 "[ . 1 .]"
1 6 VAL 17.249 1.710 15 1 "[ . 1 +]"
1 7 THR 4.232 0.148 1 0 "[ . 1 .]"
1 8 LYS 1.158 0.408 15 0 "[ . 1 .]"
1 9 ALA 1.205 0.154 15 0 "[ . 1 .]"
1 10 HIS 11.738 1.710 15 1 "[ . 1 +]"
1 11 ASN 4.215 0.240 11 0 "[ . 1 .]"
1 12 GLY 4.826 0.258 5 0 "[ . 1 .]"
1 13 ALA 4.604 0.487 15 0 "[ . 1 .]"
1 14 THR 0.554 0.120 8 0 "[ . 1 .]"
1 15 LEU 1.411 0.549 13 1 "[ . 1 + .]"
1 16 THR 1.650 0.588 7 1 "[ . + 1 .]"
1 17 VAL 9.389 0.252 15 0 "[ . 1 .]"
1 18 ALA 2.611 0.145 13 0 "[ . 1 .]"
1 19 VAL 8.379 0.562 9 2 "[ . +1 - .]"
1 20 GLY 6.158 0.562 9 3 "[ - +1 * .]"
1 21 GLU 1.161 0.114 9 0 "[ . 1 .]"
1 22 LEU 4.468 0.533 5 1 "[ + 1 .]"
1 23 VAL 18.179 0.607 7 12 "[** **-+ *1*****]"
1 24 GLU 9.002 0.877 13 5 "[ .-** 1 + *]"
1 25 ILE 18.687 0.657 8 5 "[ *-*+ 1 *]"
1 26 GLN 9.832 0.276 10 0 "[ . 1 .]"
1 27 LEU 16.160 1.051 2 6 "[ + ** 1*- *]"
1 28 PRO 14.447 2.784 11 2 "[ . - 1+ .]"
1 29 SER 5.602 0.338 5 0 "[ . 1 .]"
1 30 ASN 9.234 0.317 8 0 "[ . 1 .]"
1 31 PRO 3.282 0.810 6 3 "[ .+- 1 * .]"
1 32 THR 9.404 1.023 9 1 "[ . +1 .]"
1 33 THR 0.915 0.173 11 0 "[ . 1 .]"
1 34 GLY 0.413 0.121 8 0 "[ . 1 .]"
1 35 PHE 7.080 0.958 3 3 "[ + . - * .]"
1 36 ALA 6.077 1.023 9 1 "[ . +1 .]"
1 37 TRP 14.009 0.263 1 0 "[ . 1 .]"
1 38 TYR 11.433 0.958 3 4 "[ + . *-* .]"
1 39 PHE 18.241 0.476 11 0 "[ . 1 .]"
1 40 GLU 0.214 0.058 2 0 "[ . 1 .]"
1 41 GLY 0.795 0.104 13 0 "[ . 1 .]"
1 42 GLY 2.562 0.519 9 1 "[ . +1 .]"
1 43 THR 2.910 0.359 2 0 "[ . 1 .]"
1 44 LYS 11.900 0.855 12 6 "[* * .* -*1 + .]"
1 45 GLU 10.854 0.855 12 6 "[* * .* -*1 + .]"
1 46 SER 8.728 0.533 5 1 "[ + 1 .]"
1 47 PRO 7.081 0.638 15 2 "[ . - 1 +]"
1 48 ASN 3.425 0.451 10 0 "[ . 1 .]"
1 49 GLU 9.764 0.657 8 4 "[ .-*+ 1 *]"
1 50 SER 1.885 0.382 15 0 "[ . 1 .]"
1 51 MET 11.587 0.689 4 4 "[ +* * 1 - .]"
1 52 PHE 7.688 0.689 4 4 "[ +* * 1 - .]"
1 53 THR 3.297 0.471 3 0 "[ . 1 .]"
1 54 VAL 0.483 0.142 14 0 "[ . 1 .]"
1 55 GLU 9.173 0.958 3 6 "[ *+*. -* * .]"
1 56 ASN 9.296 0.726 10 5 "[ ***. - + .]"
1 57 LYS 11.348 0.726 10 1 "[ . + .]"
1 58 TYR 2.922 0.481 3 0 "[ . 1 .]"
1 59 PHE 2.413 0.267 11 0 "[ . 1 .]"
1 60 PRO 1.142 0.316 8 0 "[ . 1 .]"
1 61 PRO 11.544 0.747 5 3 "[* + 1 *]"
1 62 ASP 1.793 0.224 5 0 "[ . 1 .]"
1 63 SER 2.135 0.257 8 0 "[ . 1 .]"
1 64 LYS 0.829 0.239 4 0 "[ . 1 .]"
1 65 LEU 7.467 0.533 5 1 "[ + 1 .]"
1 66 LEU 12.879 2.784 11 3 "[ - * 1+ .]"
1 67 GLY 6.051 0.724 1 2 "[+ . 1 -]"
1 68 ALA 4.940 1.026 3 2 "[ + . 1- .]"
1 69 GLY 0.150 0.060 8 0 "[ . 1 .]"
1 70 GLY 4.083 0.810 6 4 "[ -+* 1 * .]"
1 71 THR 10.360 1.026 3 1 "[ + . 1 .]"
1 72 GLU 5.400 0.481 3 0 "[ . 1 .]"
1 73 HIS 16.215 1.051 2 6 "[ + ** 1*- *]"
1 74 PHE 3.906 0.208 14 0 "[ . 1 .]"
1 75 HIS 6.979 0.958 3 3 "[ + . - * .]"
1 76 VAL 3.010 0.317 8 0 "[ . 1 .]"
1 77 THR 2.391 0.278 14 0 "[ . 1 .]"
1 78 VAL 3.626 0.198 7 0 "[ . 1 .]"
1 79 LYS 4.566 0.286 6 0 "[ . 1 .]"
1 80 ALA 6.709 1.051 2 6 "[ + ** 1*- *]"
1 81 ALA 1.820 0.438 12 0 "[ . 1 .]"
1 82 GLY 2.056 0.451 10 0 "[ . 1 .]"
1 83 THR 2.559 0.315 11 0 "[ . 1 .]"
1 84 HIS 7.894 0.348 15 0 "[ . 1 .]"
1 85 ALA 0.376 0.069 2 0 "[ . 1 .]"
1 86 VAL 5.090 0.294 10 0 "[ . 1 .]"
1 87 ASN 3.953 0.212 10 0 "[ . 1 .]"
1 88 LEU 12.522 0.533 10 1 "[ . + .]"
1 89 THR 5.831 0.433 11 0 "[ . 1 .]"
1 90 TYR 2.979 0.474 3 0 "[ . 1 .]"
1 91 MET 13.617 0.862 11 3 "[ * * 1+ .]"
1 92 ARG 11.593 0.862 11 4 "[ * - *+ .]"
1 93 PRO 7.435 0.734 10 1 "[ . + .]"
1 94 TRP 0.945 0.090 13 0 "[ . 1 .]"
1 95 THR 1.363 0.531 11 1 "[ . 1+ .]"
1 96 GLY 8.869 0.724 1 1 "[+ . 1 .]"
1 97 PRO 4.131 0.724 1 1 "[+ . 1 .]"
1 98 SER 0.167 0.103 9 0 "[ . 1 .]"
1 99 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 100 ASP 6.737 0.471 9 0 "[ . 1 .]"
1 101 SER 2.181 0.474 3 0 "[ . 1 .]"
1 102 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 103 ARG 8.823 0.263 1 0 "[ . 1 .]"
1 104 PHE 4.081 0.533 10 1 "[ . + .]"
1 105 THR 5.854 0.316 15 0 "[ . 1 .]"
1 106 VAL 9.639 0.457 15 0 "[ . 1 .]"
1 107 TYR 5.757 0.294 10 0 "[ . 1 .]"
1 108 LEU 2.980 0.240 3 0 "[ . 1 .]"
1 109 LYS 4.946 0.588 7 1 "[ . + 1 .]"
1 110 ALA 3.883 0.249 8 0 "[ . 1 .]"
1 111 ASN 8.856 0.438 12 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 1 106 VAL MG1 1 107 TYR H 3.200 . 4.400 3.746 3.119 3.851 . 0 0 "[ . 1 .]" 1
2 1 86 VAL H 1 106 VAL MG1 4.300 . 6.000 3.087 2.920 3.424 . 0 0 "[ . 1 .]" 1
3 1 19 VAL QG 1 23 VAL H 3.500 . 5.000 4.060 2.747 4.665 . 0 0 "[ . 1 .]" 1
4 1 86 VAL H 1 106 VAL MG2 3.800 . 5.600 4.765 4.510 5.197 . 0 0 "[ . 1 .]" 1
5 1 22 LEU QD 1 76 VAL H 6.000 . 6.000 3.167 2.842 3.453 . 0 0 "[ . 1 .]" 1
6 1 106 VAL MG2 1 108 LEU H 4.400 . 6.000 3.750 3.495 4.695 . 0 0 "[ . 1 .]" 1
7 1 25 ILE H 1 25 ILE HG12 3.200 . 4.500 2.860 2.673 3.009 . 0 0 "[ . 1 .]" 1
8 1 6 VAL MG2 1 107 TYR H 1.500 . 6.000 5.092 4.955 5.292 . 0 0 "[ . 1 .]" 1
9 1 86 VAL QG 1 108 LEU H 4.100 . 6.000 3.624 3.441 3.980 . 0 0 "[ . 1 .]" 1
10 1 25 ILE H 1 25 ILE MG 4.000 . 6.000 3.858 3.815 3.881 . 0 0 "[ . 1 .]" 1
11 1 88 LEU H 1 88 LEU QD 4.500 . 5.600 3.372 3.339 3.396 . 0 0 "[ . 1 .]" 1
12 1 38 TYR H 1 88 LEU QD 4.500 . 6.000 4.286 4.116 4.543 . 0 0 "[ . 1 .]" 1
13 1 27 LEU QD 1 37 TRP HE1 4.600 . 6.000 3.430 3.234 3.607 . 0 0 "[ . 1 .]" 1
14 1 14 THR MG 1 107 TYR H 3.900 . 5.800 4.335 3.949 4.687 . 0 0 "[ . 1 .]" 1
15 1 83 THR MG 1 110 ALA H 4.800 . 6.000 3.834 3.743 3.955 . 0 0 "[ . 1 .]" 1
16 1 76 VAL QG 1 77 THR H . . 3.800 3.334 2.870 3.566 . 0 0 "[ . 1 .]" 1
17 1 23 VAL H 1 77 THR MG 4.000 . 6.000 4.150 3.860 4.372 . 0 0 "[ . 1 .]" 1
18 1 17 VAL H 1 83 THR MG 4.400 . 6.000 5.868 5.689 6.056 0.056 1 0 "[ . 1 .]" 1
19 1 84 HIS HB2 1 110 ALA H 3.800 . 5.600 3.378 2.964 3.612 . 0 0 "[ . 1 .]" 1
20 1 37 TRP HB2 1 38 TYR H 4.100 . 6.000 4.334 4.239 4.438 . 0 0 "[ . 1 .]" 1
21 1 104 PHE H 1 104 PHE HB3 2.900 . 4.000 2.227 2.209 2.253 . 0 0 "[ . 1 .]" 1
22 1 91 MET H 1 91 MET QG 3.200 . 4.500 2.641 2.375 3.080 . 0 0 "[ . 1 .]" 1
23 1 107 TYR HB2 1 108 LEU H 4.400 . 6.000 4.380 4.280 4.424 . 0 0 "[ . 1 .]" 1
24 1 24 GLU HB3 1 25 ILE H 5.500 . 6.000 3.451 2.548 4.299 . 0 0 "[ . 1 .]" 1
25 1 108 LEU QB 1 109 LYS H 4.200 . 6.000 2.745 2.419 2.940 . 0 0 "[ . 1 .]" 1
26 1 17 VAL H 1 109 LYS HB2 3.100 . 4.300 4.376 4.306 4.507 0.207 2 0 "[ . 1 .]" 1
27 1 13 ALA MB 1 108 LEU H 3.500 . 6.000 5.974 5.511 6.079 0.079 6 0 "[ . 1 .]" 1
28 1 13 ALA MB 1 107 TYR H 4.000 . 6.000 3.305 2.582 3.686 . 0 0 "[ . 1 .]" 1
29 1 110 ALA H 1 110 ALA MB 2.900 . 4.000 2.345 2.291 2.389 . 0 0 "[ . 1 .]" 1
30 1 22 LEU HG 1 23 VAL H 4.800 . 6.000 3.082 2.222 4.052 . 0 0 "[ . 1 .]" 1
31 1 88 LEU HB3 1 89 THR H 3.400 . 4.800 3.253 3.124 3.339 . 0 0 "[ . 1 .]" 1
32 1 75 HIS HB2 1 76 VAL H 4.300 . 6.000 4.445 4.041 4.550 . 0 0 "[ . 1 .]" 1
33 1 91 MET HA 1 101 SER HA 3.500 . 5.100 3.261 3.046 3.497 . 0 0 "[ . 1 .]" 1
34 1 89 THR H 1 103 ARG HA 4.200 . 6.000 4.665 4.593 4.756 . 0 0 "[ . 1 .]" 1
35 1 25 ILE H 1 76 VAL H 6.000 . 6.000 3.806 3.414 3.983 . 0 0 "[ . 1 .]" 1
36 1 75 HIS HA 1 76 VAL H 2.300 . 2.900 2.209 2.170 2.267 . 0 0 "[ . 1 .]" 1
37 1 107 TYR H 1 108 LEU H 3.800 . 5.600 4.147 4.018 4.248 . 0 0 "[ . 1 .]" 1
38 1 86 VAL H 1 105 THR HA 4.200 . 6.000 4.229 4.084 4.307 . 0 0 "[ . 1 .]" 1
39 1 92 ARG HB2 1 92 ARG HG2 2.900 . 3.900 3.015 3.004 3.028 . 0 0 "[ . 1 .]" 1
40 1 27 LEU QD 1 88 LEU QD . . 3.000 1.816 1.739 1.904 0.261 1 0 "[ . 1 .]" 1
41 1 37 TRP HA 1 89 THR H 4.000 . 6.000 4.592 4.211 4.808 . 0 0 "[ . 1 .]" 1
42 1 84 HIS HA 1 86 VAL H 4.100 . 6.000 5.609 5.358 5.905 . 0 0 "[ . 1 .]" 1
43 1 86 VAL QG 1 88 LEU QD 3.100 . 3.900 2.247 2.121 2.364 . 0 0 "[ . 1 .]" 1
44 1 25 ILE MG 1 27 LEU QD . . 3.300 2.575 2.345 3.033 . 0 0 "[ . 1 .]" 1
45 1 25 ILE MG 1 88 LEU QD 2.900 . 4.000 2.061 1.908 2.222 . 0 0 "[ . 1 .]" 1
46 1 27 LEU QD 1 88 LEU HB3 4.100 . 6.000 3.476 2.870 3.900 . 0 0 "[ . 1 .]" 1
47 1 27 LEU QD 1 104 PHE HB2 3.300 . 4.700 2.391 2.199 2.515 . 0 0 "[ . 1 .]" 1
48 1 27 LEU QD 1 104 PHE HB3 3.500 . 4.700 2.788 2.281 2.999 . 0 0 "[ . 1 .]" 1
49 1 16 THR HB 1 17 VAL H 4.800 . 6.000 3.961 3.854 4.146 . 0 0 "[ . 1 .]" 1
50 1 89 THR H 1 89 THR HB 2.700 . 3.600 2.692 2.642 2.735 . 0 0 "[ . 1 .]" 1
51 1 106 VAL H 1 107 TYR H 4.400 . 6.000 4.436 4.410 4.461 . 0 0 "[ . 1 .]" 1
52 1 37 TRP HE3 1 38 TYR H 4.400 . 6.000 3.976 3.735 4.499 . 0 0 "[ . 1 .]" 1
53 1 38 TYR H 1 38 TYR QD 3.100 . 4.300 3.006 2.418 3.400 . 0 0 "[ . 1 .]" 1
54 1 38 TYR QD 1 91 MET H 3.600 . 5.200 3.741 3.085 4.248 . 0 0 "[ . 1 .]" 1
55 1 75 HIS HD2 1 76 VAL H 2.900 . 6.000 4.869 4.710 5.067 . 0 0 "[ . 1 .]" 1
56 1 25 ILE H 1 75 HIS HD2 3.300 . 4.700 3.198 2.430 3.916 . 0 0 "[ . 1 .]" 1
57 1 86 VAL H 1 107 TYR QD 4.600 . 6.000 4.522 4.207 4.928 . 0 0 "[ . 1 .]" 1
58 1 88 LEU H 1 104 PHE QD 3.400 . 6.000 2.116 1.404 2.403 . 0 0 "[ . 1 .]" 1
59 1 107 TYR H 1 107 TYR QE 2.300 . 6.000 4.867 4.706 4.995 . 0 0 "[ . 1 .]" 1
60 1 88 LEU HB3 1 88 LEU QD . . 3.400 2.104 2.090 2.114 . 0 0 "[ . 1 .]" 1
61 1 26 GLN HB3 1 27 LEU QD 4.400 . 6.000 4.804 4.543 5.475 . 0 0 "[ . 1 .]" 1
62 1 8 LYS HB2 1 27 LEU QD 2.900 . 3.900 3.170 2.971 3.321 . 0 0 "[ . 1 .]" 1
63 1 38 TYR QE 1 41 GLY HA3 4.400 . 6.000 5.135 3.045 6.049 0.049 14 0 "[ . 1 .]" 1
64 1 37 TRP HB2 1 88 LEU QD 3.200 . 4.400 4.135 3.770 4.224 . 0 0 "[ . 1 .]" 1
65 1 36 ALA HA 1 90 TYR QE 2.400 . 6.000 2.042 1.540 2.507 . 0 0 "[ . 1 .]" 1
66 1 84 HIS HE1 1 86 VAL HA 4.300 . 6.000 3.634 3.053 4.304 . 0 0 "[ . 1 .]" 1
67 1 39 PHE QD 1 86 VAL HA 5.900 . 6.000 4.635 4.317 5.060 . 0 0 "[ . 1 .]" 1
68 1 94 TRP HD1 1 95 THR HB 4.500 . 6.000 3.187 2.842 3.464 . 0 0 "[ . 1 .]" 1
69 1 29 SER QB 1 37 TRP HD1 3.600 . 4.500 3.444 3.339 3.587 . 0 0 "[ . 1 .]" 1
70 1 52 PHE QD 1 78 VAL HA 2.700 . 3.600 2.327 2.070 2.601 . 0 0 "[ . 1 .]" 1
71 1 71 THR HB 1 73 HIS HE1 5.500 . 6.000 4.220 3.878 5.501 . 0 0 "[ . 1 .]" 1
72 1 38 TYR QD 1 41 GLY HA2 4.100 . 6.000 2.987 2.156 3.461 . 0 0 "[ . 1 .]" 1
73 1 38 TYR QE 1 41 GLY HA2 5.200 . 6.000 3.978 1.789 4.760 0.011 13 0 "[ . 1 .]" 1
74 1 34 GLY QA 1 35 PHE QE 4.200 . 6.000 5.070 4.558 5.684 . 0 0 "[ . 1 .]" 1
75 1 59 PHE QD 1 60 PRO HD2 4.500 . 6.000 4.422 3.853 4.801 . 0 0 "[ . 1 .]" 1
76 1 38 TYR QE 1 93 PRO HA 4.900 . 6.000 3.277 2.256 4.065 . 0 0 "[ . 1 .]" 1
77 1 93 PRO HA 1 94 TRP HE3 4.800 . 6.000 4.969 4.896 5.028 . 0 0 "[ . 1 .]" 1
78 1 93 PRO HA 1 94 TRP HZ3 5.400 . 6.000 6.057 6.030 6.090 0.090 13 0 "[ . 1 .]" 1
79 1 20 GLY HA2 1 52 PHE HZ 5.500 . 6.000 5.824 5.271 6.146 0.146 14 0 "[ . 1 .]" 1
80 1 35 PHE QE 1 97 PRO HD3 3.500 . 5.000 3.428 2.183 4.719 . 0 0 "[ . 1 .]" 1
81 1 20 GLY HA2 1 52 PHE QD 3.900 . 5.800 5.733 4.844 5.854 0.054 12 0 "[ . 1 .]" 1
82 1 38 TYR QE 1 93 PRO HD3 3.800 . 6.000 2.824 1.890 3.494 . 0 0 "[ . 1 .]" 1
83 1 10 HIS QB 1 105 THR H 4.300 . 6.000 5.325 5.171 5.622 . 0 0 "[ . 1 .]" 1
84 1 39 PHE HB3 1 103 ARG HE 3.400 . 6.000 6.166 6.061 6.258 0.258 7 0 "[ . 1 .]" 1
85 1 10 HIS QB 1 104 PHE QD 4.600 . 6.000 4.199 4.046 4.482 . 0 0 "[ . 1 .]" 1
86 1 10 HIS QB 1 104 PHE QE 4.300 . 5.000 2.289 2.089 3.314 . 0 0 "[ . 1 .]" 1
87 1 10 HIS QB 1 10 HIS HD2 2.800 . 3.800 2.809 2.740 2.923 . 0 0 "[ . 1 .]" 1
88 1 28 PRO HD2 1 37 TRP HZ2 4.700 . 6.000 4.374 4.209 4.422 . 0 0 "[ . 1 .]" 1
89 1 12 GLY HA2 1 107 TYR QE 2.100 . 6.000 5.085 4.638 5.492 . 0 0 "[ . 1 .]" 1
90 1 105 THR HB 1 107 TYR QE 4.400 . 6.000 4.338 4.062 4.648 . 0 0 "[ . 1 .]" 1
91 1 105 THR HB 1 106 VAL H 4.300 . 6.000 4.500 4.457 4.538 . 0 0 "[ . 1 .]" 1
92 1 39 PHE HZ 1 47 PRO QD 3.500 . 5.000 3.779 3.412 4.123 . 0 0 "[ . 1 .]" 1
93 1 39 PHE HB2 1 39 PHE QD 2.300 . 2.900 2.318 2.287 2.350 . 0 0 "[ . 1 .]" 1
94 1 107 TYR HB3 1 107 TYR QD 2.400 . 3.100 2.501 2.412 2.576 . 0 0 "[ . 1 .]" 1
95 1 37 TRP HB3 1 37 TRP HE3 3.100 . 4.300 2.565 2.506 2.609 . 0 0 "[ . 1 .]" 1
96 1 58 TYR QB 1 58 TYR QD 2.600 . 3.400 2.148 2.121 2.200 . 0 0 "[ . 1 .]" 1
97 1 58 TYR QB 1 58 TYR QE 4.200 . 6.000 3.939 3.922 3.964 . 0 0 "[ . 1 .]" 1
98 1 73 HIS QB 1 75 HIS HE1 4.800 . 6.000 4.525 4.224 4.842 . 0 0 "[ . 1 .]" 1
99 1 73 HIS HA 1 75 HIS HD2 6.000 . 6.000 4.346 3.994 4.701 . 0 0 "[ . 1 .]" 1
100 1 73 HIS HA 1 73 HIS HD2 2.900 . 3.900 3.593 3.445 3.730 . 0 0 "[ . 1 .]" 1
101 1 106 VAL MG2 1 108 LEU QB 3.500 . 5.000 2.811 2.433 3.799 . 0 0 "[ . 1 .]" 1
102 1 37 TRP HE3 1 90 TYR QD 4.300 . 6.000 4.191 3.810 4.680 . 0 0 "[ . 1 .]" 1
103 1 37 TRP HZ2 1 90 TYR QD 4.200 . 6.000 4.052 3.065 4.721 . 0 0 "[ . 1 .]" 1
104 1 56 ASN HA 1 74 PHE QD 3.800 . 5.600 4.374 3.626 4.742 . 0 0 "[ . 1 .]" 1
105 1 84 HIS HD2 1 110 ALA HA 4.900 . 6.000 5.839 5.259 6.126 0.126 6 0 "[ . 1 .]" 1
106 1 25 ILE MG 1 27 LEU HG 3.300 . 6.000 4.664 3.425 5.060 . 0 0 "[ . 1 .]" 1
107 1 87 ASN HA 1 104 PHE QD 4.600 . 6.000 3.532 3.132 3.743 . 0 0 "[ . 1 .]" 1
108 1 37 TRP HE3 1 103 ARG HA 4.200 . 6.000 3.697 3.634 3.780 . 0 0 "[ . 1 .]" 1
109 1 37 TRP HZ3 1 103 ARG HA 1.700 . 2.200 2.277 2.205 2.333 0.133 15 0 "[ . 1 .]" 1
110 1 14 THR HA 1 107 TYR QE 4.900 . 6.000 5.970 5.697 6.120 0.120 8 0 "[ . 1 .]" 1
111 1 7 THR HA 1 10 HIS HE1 5.600 . 6.000 5.242 2.661 5.870 . 0 0 "[ . 1 .]" 1
112 1 37 TRP HE3 1 89 THR HA 3.700 . 5.400 3.928 3.657 4.074 . 0 0 "[ . 1 .]" 1
113 1 74 PHE HA 1 74 PHE QD 3.100 . 4.300 3.072 2.982 3.139 . 0 0 "[ . 1 .]" 1
114 1 107 TYR HA 1 107 TYR QD 3.300 . 4.700 2.695 2.557 2.954 . 0 0 "[ . 1 .]" 1
115 1 58 TYR HA 1 58 TYR QD 4.500 . 6.000 3.024 2.324 3.729 . 0 0 "[ . 1 .]" 1
116 1 26 GLN HA 1 73 HIS HE1 5.600 . 6.000 6.006 5.662 6.109 0.109 10 0 "[ . 1 .]" 1
117 1 37 TRP HE3 1 88 LEU HA 4.200 . 6.000 4.452 4.352 4.560 . 0 0 "[ . 1 .]" 1
118 1 38 TYR HA 1 39 PHE QD 5.200 . 6.000 4.913 4.606 5.263 . 0 0 "[ . 1 .]" 1
119 1 38 TYR HA 1 38 TYR QD 2.800 . 3.800 3.146 2.749 3.714 . 0 0 "[ . 1 .]" 1
120 1 38 TYR HA 1 38 TYR QE 4.700 . 6.000 4.901 4.484 5.611 . 0 0 "[ . 1 .]" 1
121 1 37 TRP HZ3 1 104 PHE HA 3.800 . 5.600 3.313 3.172 3.384 . 0 0 "[ . 1 .]" 1
122 1 35 PHE QE 1 91 MET HA 3.800 . 5.600 3.704 3.039 4.570 . 0 0 "[ . 1 .]" 1
123 1 35 PHE QD 1 91 MET HA 2.900 . 4.000 2.417 1.651 3.393 0.149 7 0 "[ . 1 .]" 1
124 1 4 HIS HA 1 4 HIS HD2 3.700 . 5.400 4.808 4.680 4.882 . 0 0 "[ . 1 .]" 1
125 1 4 HIS HA 1 4 HIS HE1 4.000 . 6.000 5.022 4.893 5.145 . 0 0 "[ . 1 .]" 1
126 1 59 PHE HA 1 59 PHE QD 3.100 . 4.300 2.832 2.421 3.070 . 0 0 "[ . 1 .]" 1
127 1 33 THR HB 1 35 PHE QD 3.600 . 5.200 4.507 2.762 5.263 0.063 1 0 "[ . 1 .]" 1
128 1 10 HIS HA 1 10 HIS HE1 4.800 . 6.000 5.676 5.565 6.384 0.384 15 0 "[ . 1 .]" 1
129 1 10 HIS HA 1 10 HIS HD2 2.800 . 3.700 3.227 2.845 3.860 0.160 15 0 "[ . 1 .]" 1
130 1 37 TRP HE3 1 90 TYR HA 4.300 . 6.000 3.867 3.694 4.144 . 0 0 "[ . 1 .]" 1
131 1 90 TYR HA 1 90 TYR QE 4.500 . 6.000 4.432 4.176 4.661 . 0 0 "[ . 1 .]" 1
132 1 99 HIS HA 1 99 HIS HD2 3.600 . 5.200 3.822 2.681 4.605 . 0 0 "[ . 1 .]" 1
133 1 6 VAL HA 1 10 HIS HE1 2.700 . 3.600 2.934 2.605 5.310 1.710 15 1 "[ . 1 +]" 1
134 1 10 HIS HD2 1 13 ALA HA 5.500 . 6.000 4.642 4.047 6.487 0.487 15 0 "[ . 1 .]" 1
135 1 92 ARG HB3 1 92 ARG HG2 2.300 . 3.000 2.439 2.357 2.520 . 0 0 "[ . 1 .]" 1
136 1 74 PHE HB3 1 74 PHE QD 2.700 . 3.600 2.307 2.277 2.383 . 0 0 "[ . 1 .]" 1
137 1 84 HIS HB2 1 84 HIS HD2 3.000 . 4.100 2.727 2.692 2.814 . 0 0 "[ . 1 .]" 1
138 1 59 PHE QB 1 59 PHE QD 3.200 . 4.500 2.123 2.098 2.131 . 0 0 "[ . 1 .]" 1
139 1 39 PHE QD 1 87 ASN QB 4.300 . 6.000 3.872 3.360 4.961 . 0 0 "[ . 1 .]" 1
140 1 52 PHE HB2 1 52 PHE QE 4.100 . 6.000 4.464 4.445 4.486 . 0 0 "[ . 1 .]" 1
141 1 73 HIS QB 1 75 HIS HD2 3.400 . 4.500 2.302 1.999 2.668 0.001 11 0 "[ . 1 .]" 1
142 1 37 TRP HB2 1 37 TRP HD1 3.600 . 5.200 2.666 2.633 2.703 . 0 0 "[ . 1 .]" 1
143 1 37 TRP HE3 1 104 PHE HB3 2.700 . 3.600 2.990 2.731 3.081 . 0 0 "[ . 1 .]" 1
144 1 74 PHE HB2 1 74 PHE QD 2.600 . 3.500 2.503 2.393 2.605 . 0 0 "[ . 1 .]" 1
145 1 35 PHE QD 1 92 ARG HD3 4.500 . 6.000 4.914 3.945 5.884 . 0 0 "[ . 1 .]" 1
146 1 57 LYS HE3 1 75 HIS HE1 6.000 . 6.000 4.314 2.793 5.590 . 0 0 "[ . 1 .]" 1
147 1 38 TYR HB2 1 38 TYR QE 4.100 . 6.000 4.422 4.377 4.509 . 0 0 "[ . 1 .]" 1
148 1 107 TYR HB2 1 107 TYR QD 2.900 . 3.900 2.316 2.277 2.379 . 0 0 "[ . 1 .]" 1
149 1 107 TYR HB2 1 107 TYR QE 4.400 . 6.000 4.388 4.372 4.406 . 0 0 "[ . 1 .]" 1
150 1 39 PHE QE 1 45 GLU HG3 3.600 . 6.000 4.904 3.585 6.066 0.066 6 0 "[ . 1 .]" 1
151 1 35 PHE QB 1 35 PHE QD 2.400 . 3.100 2.183 2.113 2.312 . 0 0 "[ . 1 .]" 1
152 1 37 TRP HE3 1 104 PHE HB2 4.300 . 6.000 4.061 3.821 4.238 . 0 0 "[ . 1 .]" 1
153 1 56 ASN HB3 1 58 TYR QE 3.500 . 5.000 3.744 2.690 4.261 . 0 0 "[ . 1 .]" 1
154 1 104 PHE HB2 1 106 VAL H 3.700 . 6.000 6.047 5.809 6.101 0.101 9 0 "[ . 1 .]" 1
155 1 51 MET QG 1 52 PHE QD 4.000 . 6.000 1.757 1.311 3.072 0.689 4 4 "[ +* * 1 - .]" 1
156 1 28 PRO HG3 1 37 TRP HZ2 4.800 . 6.000 6.078 6.009 6.163 0.163 7 0 "[ . 1 .]" 1
157 1 39 PHE HZ 1 44 LYS QB 4.900 . 6.000 5.153 4.518 5.769 . 0 0 "[ . 1 .]" 1
158 1 86 VAL HB 1 104 PHE QD 3.900 . 5.800 3.986 3.668 5.502 . 0 0 "[ . 1 .]" 1
159 1 28 PRO HG2 1 37 TRP HD1 3.800 . 5.600 5.672 5.533 5.722 0.122 11 0 "[ . 1 .]" 1
160 1 86 VAL HB 1 104 PHE QE 2.700 . 3.600 2.131 1.790 3.777 0.177 9 0 "[ . 1 .]" 1
161 1 4 HIS HE1 1 17 VAL HB 4.700 . 6.000 5.333 5.021 5.636 . 0 0 "[ . 1 .]" 1
162 1 86 VAL HB 1 106 VAL H 3.200 . 4.500 2.666 2.362 4.697 0.197 9 0 "[ . 1 .]" 1
163 1 51 MET ME 1 52 PHE HZ 4.500 . 6.000 5.655 4.848 6.100 0.100 14 0 "[ . 1 .]" 1
164 1 51 MET ME 1 52 PHE QE 4.400 . 6.000 4.220 3.243 5.047 . 0 0 "[ . 1 .]" 1
165 1 28 PRO HG2 1 37 TRP HZ2 4.000 . 6.000 5.015 4.876 5.133 . 0 0 "[ . 1 .]" 1
166 1 24 GLU HB3 1 75 HIS HD2 3.300 . 4.700 3.482 2.610 4.001 . 0 0 "[ . 1 .]" 1
167 1 37 TRP HD1 1 72 GLU HB2 2.900 . 4.000 2.930 2.663 3.116 . 0 0 "[ . 1 .]" 1
168 1 6 VAL HB 1 106 VAL H 3.600 . 6.000 6.291 6.213 6.457 0.457 15 0 "[ . 1 .]" 1
169 1 6 VAL HB 1 10 HIS HE1 5.000 . 6.000 5.692 5.577 5.833 . 0 0 "[ . 1 .]" 1
170 1 58 TYR QD 1 72 GLU HB2 5.400 . 6.000 3.925 3.312 5.044 . 0 0 "[ . 1 .]" 1
171 1 6 VAL HB 1 104 PHE QE 4.300 . 6.000 4.390 4.310 4.586 . 0 0 "[ . 1 .]" 1
172 1 26 GLN HG3 1 73 HIS HE1 2.700 . 3.600 3.020 2.857 3.141 . 0 0 "[ . 1 .]" 1
173 1 38 TYR QD 1 93 PRO HG3 4.100 . 6.000 4.755 4.178 5.154 . 0 0 "[ . 1 .]" 1
174 1 52 PHE QE 1 79 LYS QB 4.200 . 6.000 4.489 4.085 4.930 . 0 0 "[ . 1 .]" 1
175 1 38 TYR QE 1 93 PRO HG3 3.100 . 4.300 2.913 2.536 3.270 . 0 0 "[ . 1 .]" 1
176 1 104 PHE QE 1 106 VAL HB 3.100 . 4.300 2.762 2.372 2.968 . 0 0 "[ . 1 .]" 1
177 1 37 TRP HE3 1 103 ARG HG3 4.700 . 6.000 4.867 4.711 5.037 . 0 0 "[ . 1 .]" 1
178 1 8 LYS HB2 1 37 TRP HZ2 4.500 . 6.000 5.704 5.301 5.999 . 0 0 "[ . 1 .]" 1
179 1 35 PHE QD 1 91 MET HB3 4.300 . 6.000 4.022 3.330 4.866 . 0 0 "[ . 1 .]" 1
180 1 93 PRO HB3 1 94 TRP HE3 4.900 . 6.000 4.404 4.184 4.585 . 0 0 "[ . 1 .]" 1
181 1 8 LYS QD 1 37 TRP HZ2 3.200 . 4.400 3.141 2.842 3.452 . 0 0 "[ . 1 .]" 1
182 1 38 TYR QD 1 93 PRO HB3 2.200 . 6.000 3.797 3.436 4.455 . 0 0 "[ . 1 .]" 1
183 1 38 TYR QE 1 93 PRO HB3 4.000 . 6.000 2.264 2.009 2.985 . 0 0 "[ . 1 .]" 1
184 1 52 PHE QD 1 79 LYS QD 4.800 . 6.000 3.210 2.615 3.595 . 0 0 "[ . 1 .]" 1
185 1 26 GLN HB3 1 73 HIS HE1 4.500 . 6.000 5.067 4.540 5.351 . 0 0 "[ . 1 .]" 1
186 1 13 ALA MB 1 105 THR H 4.600 . 6.000 5.770 5.578 5.860 . 0 0 "[ . 1 .]" 1
187 1 52 PHE QE 1 79 LYS QD 3.900 . 5.800 2.813 2.363 3.212 . 0 0 "[ . 1 .]" 1
188 1 10 HIS HD2 1 13 ALA MB 2.900 . 3.900 2.191 1.870 3.923 0.030 12 0 "[ . 1 .]" 1
189 1 37 TRP HE3 1 88 LEU HB2 2.900 . 3.900 2.882 2.544 3.043 . 0 0 "[ . 1 .]" 1
190 1 57 LYS QD 1 73 HIS HE1 3.600 . 5.200 4.991 4.628 5.327 0.127 11 0 "[ . 1 .]" 1
191 1 38 TYR QD 1 91 MET HB2 3.700 . 5.400 4.573 3.727 5.172 . 0 0 "[ . 1 .]" 1
192 1 57 LYS QD 1 75 HIS HD2 3.100 . 4.300 3.284 2.472 4.000 . 0 0 "[ . 1 .]" 1
193 1 57 LYS QD 1 73 HIS HD2 5.700 . 6.000 3.861 3.241 4.404 . 0 0 "[ . 1 .]" 1
194 1 35 PHE QD 1 91 MET HB2 4.600 . 6.000 4.656 4.053 5.334 . 0 0 "[ . 1 .]" 1
195 1 52 PHE QE 1 79 LYS HG3 5.400 . 6.000 4.348 3.000 5.652 . 0 0 "[ . 1 .]" 1
196 1 38 TYR QD 1 93 PRO HB2 5.000 . 6.000 5.414 5.079 5.936 . 0 0 "[ . 1 .]" 1
197 1 85 ALA MB 1 107 TYR QD 3.200 . 4.500 2.408 2.169 2.698 . 0 0 "[ . 1 .]" 1
198 1 85 ALA MB 1 107 TYR QE 2.600 . 3.500 2.593 2.182 2.927 . 0 0 "[ . 1 .]" 1
199 1 26 GLN HB2 1 73 HIS HE1 4.900 . 6.000 4.191 3.651 4.409 . 0 0 "[ . 1 .]" 1
200 1 39 PHE HZ 1 54 VAL QG 3.700 . 5.400 4.320 3.370 5.319 . 0 0 "[ . 1 .]" 1
201 1 26 GLN HB2 1 73 HIS HD2 3.200 . 4.500 4.663 4.614 4.731 0.231 9 0 "[ . 1 .]" 1
202 1 36 ALA MB 1 38 TYR QD 3.300 . 4.600 3.194 2.557 3.607 . 0 0 "[ . 1 .]" 1
203 1 36 ALA MB 1 90 TYR QE 4.900 . 6.000 3.617 3.363 3.806 . 0 0 "[ . 1 .]" 1
204 1 36 ALA MB 1 37 TRP HD1 4.800 . 6.000 4.764 4.613 4.973 . 0 0 "[ . 1 .]" 1
205 1 37 TRP HZ3 1 88 LEU HB3 3.700 . 5.400 4.527 4.331 4.703 . 0 0 "[ . 1 .]" 1
206 1 88 LEU HB3 1 104 PHE QD 3.800 . 5.600 3.642 3.378 3.851 . 0 0 "[ . 1 .]" 1
207 1 39 PHE QD 1 88 LEU HB3 4.400 . 6.000 5.337 5.163 5.409 . 0 0 "[ . 1 .]" 1
208 1 4 HIS HE1 1 5 LYS QG 4.800 . 6.000 5.288 4.910 5.814 . 0 0 "[ . 1 .]" 1
209 1 26 GLN HG2 1 73 HIS HE1 4.700 . 6.000 4.687 4.579 4.846 . 0 0 "[ . 1 .]" 1
210 1 26 GLN HG2 1 75 HIS HD2 4.100 . 6.000 6.192 6.106 6.276 0.276 10 0 "[ . 1 .]" 1
211 1 26 GLN HG2 1 73 HIS HD2 3.000 . 4.100 3.593 3.178 3.931 . 0 0 "[ . 1 .]" 1
212 1 7 THR MG 1 10 HIS HE1 3.100 . 4.300 4.280 3.921 4.373 0.073 9 0 "[ . 1 .]" 1
213 1 37 TRP HZ3 1 89 THR MG 6.000 . 6.000 5.330 5.097 5.540 . 0 0 "[ . 1 .]" 1
214 1 9 ALA MB 1 10 HIS HD2 4.100 . 6.000 5.400 5.104 5.769 . 0 0 "[ . 1 .]" 1
215 1 57 LYS HG3 1 75 HIS HE1 4.800 . 6.000 5.470 4.626 6.103 0.103 1 0 "[ . 1 .]" 1
216 1 71 THR MG 1 73 HIS HE1 4.300 . 6.000 3.508 3.072 3.973 . 0 0 "[ . 1 .]" 1
217 1 59 PHE QD 1 71 THR MG 5.400 . 6.000 4.985 4.560 5.608 . 0 0 "[ . 1 .]" 1
218 1 71 THR MG 1 73 HIS HD2 3.100 . 4.300 3.613 2.318 3.904 . 0 0 "[ . 1 .]" 1
219 1 14 THR MG 1 107 TYR QE 4.100 . 6.000 5.149 4.880 5.449 . 0 0 "[ . 1 .]" 1
220 1 52 PHE HZ 1 77 THR MG 4.600 . 6.000 4.336 3.328 4.682 . 0 0 "[ . 1 .]" 1
221 1 6 VAL MG1 1 10 HIS HD2 4.800 . 6.000 4.319 3.406 4.583 . 0 0 "[ . 1 .]" 1
222 1 4 HIS HE1 1 6 VAL MG1 4.400 . 6.000 5.045 4.675 5.642 . 0 0 "[ . 1 .]" 1
223 1 6 VAL MG1 1 10 HIS HE1 4.700 . 6.000 4.237 2.734 4.717 . 0 0 "[ . 1 .]" 1
224 1 6 VAL MG1 1 105 THR H 3.600 . 5.200 5.338 5.233 5.516 0.316 15 0 "[ . 1 .]" 1
225 1 94 TRP HD1 1 95 THR MG 2.900 . 3.900 2.486 2.326 2.906 . 0 0 "[ . 1 .]" 1
226 1 23 VAL MG1 1 84 HIS HD2 3.700 . 5.500 3.759 2.795 4.302 . 0 0 "[ . 1 .]" 1
227 1 106 VAL H 1 106 VAL MG1 3.000 . 4.100 2.178 2.023 3.045 . 0 0 "[ . 1 .]" 1
228 1 106 VAL MG1 1 107 TYR QD 3.700 . 5.400 5.341 4.996 5.420 0.020 3 0 "[ . 1 .]" 1
229 1 10 HIS HD2 1 106 VAL MG1 4.000 . 6.000 4.836 4.115 5.224 . 0 0 "[ . 1 .]" 1
230 1 106 VAL MG2 1 107 TYR QD 4.900 . 6.000 4.739 4.504 5.139 . 0 0 "[ . 1 .]" 1
231 1 104 PHE QE 1 106 VAL MG2 3.900 . 5.800 3.879 2.724 4.118 . 0 0 "[ . 1 .]" 1
232 1 10 HIS HD2 1 106 VAL MG2 4.600 . 6.000 2.795 2.385 4.362 . 0 0 "[ . 1 .]" 1
233 1 88 LEU HG 1 104 PHE QD 3.300 . 4.700 2.368 2.170 2.467 . 0 0 "[ . 1 .]" 1
234 1 37 TRP HE3 1 88 LEU HG 4.800 . 6.000 5.284 5.008 5.430 . 0 0 "[ . 1 .]" 1
235 1 76 VAL QG 1 84 HIS HE1 4.300 . 6.000 2.834 2.412 3.520 . 0 0 "[ . 1 .]" 1
236 1 86 VAL QG 1 104 PHE QD 4.800 . 6.000 3.236 2.586 3.676 . 0 0 "[ . 1 .]" 1
237 1 6 VAL MG2 1 10 HIS HD2 3.200 . 4.400 3.012 2.703 4.155 . 0 0 "[ . 1 .]" 1
238 1 6 VAL MG2 1 10 HIS HE1 3.600 . 5.300 3.769 3.561 4.664 . 0 0 "[ . 1 .]" 1
239 1 27 LEU HB3 1 37 TRP HH2 4.100 . 6.000 5.441 5.235 5.616 . 0 0 "[ . 1 .]" 1
240 1 92 ARG HB2 1 97 PRO HG3 4.800 . 6.000 4.555 3.966 5.568 . 0 0 "[ . 1 .]" 1
241 1 25 ILE MG 1 104 PHE QE 3.100 . 4.300 2.121 1.966 2.478 . 0 0 "[ . 1 .]" 1
242 1 25 ILE MG 1 104 PHE QD 3.800 . 5.600 3.583 3.430 3.823 . 0 0 "[ . 1 .]" 1
243 1 37 TRP HZ2 1 90 TYR HB2 3.800 . 5.600 4.133 3.850 4.384 . 0 0 "[ . 1 .]" 1
244 1 39 PHE HZ 1 88 LEU QD . . 3.800 3.498 3.280 3.746 . 0 0 "[ . 1 .]" 1
245 1 88 LEU QD 1 104 PHE QE 3.800 . 5.600 2.695 2.572 2.924 . 0 0 "[ . 1 .]" 1
246 1 74 PHE QD 1 88 LEU QD 2.800 . 3.600 2.449 2.162 2.595 . 0 0 "[ . 1 .]" 1
247 1 88 LEU QD 1 104 PHE QD 2.800 . 6.000 2.395 2.195 2.676 . 0 0 "[ . 1 .]" 1
248 1 27 LEU QD 1 37 TRP HH2 3.900 . 5.800 3.310 2.992 3.468 . 0 0 "[ . 1 .]" 1
249 1 58 TYR QD 1 88 LEU QD 2.200 . 6.000 5.222 4.881 5.343 . 0 0 "[ . 1 .]" 1
250 1 37 TRP HE3 1 88 LEU QD 4.400 . 5.600 3.781 3.597 3.913 . 0 0 "[ . 1 .]" 1
251 1 27 LEU QD 1 37 TRP HZ3 4.600 . 6.000 3.817 3.357 4.057 . 0 0 "[ . 1 .]" 1
252 1 27 LEU QD 1 37 TRP HD1 4.700 . 6.000 4.108 3.703 4.281 . 0 0 "[ . 1 .]" 1
253 1 27 LEU QD 1 58 TYR QD 4.300 . 6.000 5.756 5.380 5.941 . 0 0 "[ . 1 .]" 1
254 1 27 LEU QD 1 37 TRP HE3 4.100 . 6.000 3.492 2.640 3.855 . 0 0 "[ . 1 .]" 1
255 1 27 LEU QD 1 104 PHE QE 4.000 . 6.000 3.191 3.005 3.399 . 0 0 "[ . 1 .]" 1
256 1 94 TRP HA 1 94 TRP HB3 2.800 . 3.800 2.386 2.364 2.417 . 0 0 "[ . 1 .]" 1
257 1 10 HIS HA 1 10 HIS QB 2.500 . 3.000 2.381 2.174 2.448 . 0 0 "[ . 1 .]" 1
258 1 6 VAL HA 1 10 HIS QB 2.300 . 6.000 3.517 3.245 3.737 . 0 0 "[ . 1 .]" 1
259 1 10 HIS QB 1 106 VAL HA 4.800 . 5.400 3.671 3.373 4.128 . 0 0 "[ . 1 .]" 1
260 1 87 ASN HA 1 105 THR HB 4.900 . 6.000 4.648 4.454 4.759 . 0 0 "[ . 1 .]" 1
261 1 104 PHE HA 1 105 THR HB 4.700 . 6.000 4.418 4.323 4.485 . 0 0 "[ . 1 .]" 1
262 1 94 TRP HA 1 94 TRP HB2 2.800 . 3.800 2.508 2.484 2.532 . 0 0 "[ . 1 .]" 1
263 1 30 ASN HA 1 30 ASN HB3 2.200 . 2.800 2.325 2.290 2.356 . 0 0 "[ . 1 .]" 1
264 1 19 VAL HA 1 79 LYS HA 4.900 . 6.000 5.294 4.941 5.876 . 0 0 "[ . 1 .]" 1
265 1 85 ALA HA 1 107 TYR HB3 4.400 . 6.000 4.430 4.254 4.563 . 0 0 "[ . 1 .]" 1
266 1 38 TYR HA 1 39 PHE HB2 4.000 . 6.000 4.622 4.443 4.741 . 0 0 "[ . 1 .]" 1
267 1 14 THR HA 1 107 TYR HB3 2.900 . 4.000 3.419 3.202 3.957 . 0 0 "[ . 1 .]" 1
268 1 107 TYR HA 1 107 TYR HB3 2.900 . 4.000 2.490 2.446 2.530 . 0 0 "[ . 1 .]" 1
269 1 39 PHE HB2 1 44 LYS HA 2.300 . 2.900 2.033 1.759 2.321 . 0 0 "[ . 1 .]" 1
270 1 58 TYR QB 1 59 PHE HA 4.600 . 6.000 4.070 3.808 4.274 . 0 0 "[ . 1 .]" 1
271 1 58 TYR QB 1 72 GLU HA 3.500 . 5.000 2.559 1.832 3.355 0.168 4 0 "[ . 1 .]" 1
272 1 11 ASN HB3 1 104 PHE HA 5.900 . 6.000 4.659 4.414 4.796 . 0 0 "[ . 1 .]" 1
273 1 74 PHE HA 1 75 HIS HB2 5.700 . 6.000 4.458 4.329 4.711 . 0 0 "[ . 1 .]" 1
274 1 75 HIS HA 1 75 HIS HB2 2.900 . 4.000 3.012 2.983 3.027 . 0 0 "[ . 1 .]" 1
275 1 4 HIS QB 1 23 VAL HA 2.700 . 3.600 2.856 2.556 3.178 . 0 0 "[ . 1 .]" 1
276 1 4 HIS HA 1 4 HIS QB . . 2.700 2.306 2.274 2.346 . 0 0 "[ . 1 .]" 1
277 1 84 HIS HB3 1 109 LYS HA 4.500 . 6.000 4.415 4.243 4.706 . 0 0 "[ . 1 .]" 1
278 1 52 PHE HA 1 52 PHE HB3 2.600 . 3.400 2.702 2.627 2.902 . 0 0 "[ . 1 .]" 1
279 1 52 PHE HB3 1 79 LYS HA 3.600 . 6.000 6.023 5.173 6.147 0.147 3 0 "[ . 1 .]" 1
280 1 52 PHE HB3 1 53 THR HB 3.800 . 5.600 5.187 3.891 5.844 0.244 6 0 "[ . 1 .]" 1
281 1 82 GLY HA3 1 84 HIS HB2 4.500 . 6.000 5.987 5.807 6.103 0.103 9 0 "[ . 1 .]" 1
282 1 84 HIS HA 1 84 HIS HB2 2.900 . 4.000 2.624 2.594 2.648 . 0 0 "[ . 1 .]" 1
283 1 51 MET HA 1 51 MET QG 4.000 . 6.000 3.415 3.318 3.542 . 0 0 "[ . 1 .]" 1
284 1 30 ASN HB2 1 31 PRO HA 6.000 . 6.000 4.999 4.883 5.243 . 0 0 "[ . 1 .]" 1
285 1 87 ASN HA 1 87 ASN QB 2.300 . 2.900 2.385 2.174 2.433 . 0 0 "[ . 1 .]" 1
286 1 87 ASN QB 1 105 THR HA 4.600 . 6.000 4.310 3.497 4.488 . 0 0 "[ . 1 .]" 1
287 1 27 LEU HA 1 37 TRP HB2 4.200 . 6.000 6.095 5.978 6.186 0.186 13 0 "[ . 1 .]" 1
288 1 62 ASP QB 1 63 SER HA 3.100 . 4.300 4.271 4.040 4.464 0.164 12 0 "[ . 1 .]" 1
289 1 48 ASN HA 1 48 ASN HB3 2.300 . 2.900 2.634 2.379 3.017 0.117 14 0 "[ . 1 .]" 1
290 1 111 ASN HA 1 111 ASN HB2 2.800 . 3.800 2.509 2.418 3.027 . 0 0 "[ . 1 .]" 1
291 1 56 ASN HA 1 74 PHE HB2 4.600 . 6.000 5.523 5.201 5.787 . 0 0 "[ . 1 .]" 1
292 1 104 PHE HA 1 104 PHE HB3 3.000 . 4.100 2.979 2.910 2.999 . 0 0 "[ . 1 .]" 1
293 1 72 GLU HA 1 72 GLU HG3 4.100 . 6.000 3.238 3.076 3.403 . 0 0 "[ . 1 .]" 1
294 1 58 TYR HA 1 72 GLU HG3 4.700 . 6.000 4.246 3.778 4.838 . 0 0 "[ . 1 .]" 1
295 1 91 MET HA 1 91 MET QG 4.000 . 6.000 2.711 2.425 2.885 . 0 0 "[ . 1 .]" 1
296 1 27 LEU HA 1 28 PRO QB 5.100 . 6.000 4.421 4.315 4.489 . 0 0 "[ . 1 .]" 1
297 1 14 THR HA 1 107 TYR HB2 2.500 . 3.300 2.146 1.947 2.553 . 0 0 "[ . 1 .]" 1
298 1 85 ALA HA 1 107 TYR HB2 4.500 . 6.000 5.326 5.192 5.510 . 0 0 "[ . 1 .]" 1
299 1 102 GLU HA 1 102 GLU QG 2.700 . 3.600 2.795 2.378 3.107 . 0 0 "[ . 1 .]" 1
300 1 72 GLU HA 1 72 GLU HG2 2.700 . 3.600 2.571 2.461 2.656 . 0 0 "[ . 1 .]" 1
301 1 55 GLU HA 1 55 GLU HG3 4.700 . 6.000 3.415 2.653 4.253 . 0 0 "[ . 1 .]" 1
302 1 29 SER HA 1 72 GLU HG2 5.700 . 6.000 4.859 4.600 5.208 . 0 0 "[ . 1 .]" 1
303 1 90 TYR HB3 1 101 SER HA 4.700 . 6.000 4.279 3.999 4.763 . 0 0 "[ . 1 .]" 1
304 1 47 PRO HA 1 47 PRO HB3 2.300 . 3.000 2.277 2.259 2.305 . 0 0 "[ . 1 .]" 1
305 1 104 PHE HA 1 104 PHE HB2 2.600 . 3.400 2.309 2.261 2.336 . 0 0 "[ . 1 .]" 1
306 1 61 PRO HA 1 61 PRO HB3 2.400 . 3.100 2.287 2.223 2.347 . 0 0 "[ . 1 .]" 1
307 1 54 VAL HA 1 54 VAL HB 2.600 . 3.400 2.559 2.372 3.025 . 0 0 "[ . 1 .]" 1
308 1 56 ASN HB2 1 74 PHE HA 3.800 . 5.600 4.074 3.694 4.735 . 0 0 "[ . 1 .]" 1
309 1 27 LEU HA 1 28 PRO HG3 5.900 . 6.000 4.383 4.292 4.493 . 0 0 "[ . 1 .]" 1
310 1 31 PRO HA 1 31 PRO HB3 2.400 . 3.100 2.305 2.283 2.328 . 0 0 "[ . 1 .]" 1
311 1 45 GLU HA 1 45 GLU HB3 2.600 . 3.400 2.425 2.362 2.468 . 0 0 "[ . 1 .]" 1
312 1 17 VAL HB 1 110 ALA HA 4.600 . 6.000 4.512 4.273 4.679 . 0 0 "[ . 1 .]" 1
313 1 60 PRO HA 1 60 PRO HG3 3.100 . 4.300 3.265 2.892 4.044 . 0 0 "[ . 1 .]" 1
314 1 16 THR HA 1 17 VAL HB 5.400 . 6.000 5.579 5.518 5.633 . 0 0 "[ . 1 .]" 1
315 1 17 VAL HA 1 17 VAL HB 2.300 . 2.900 2.353 2.322 2.445 . 0 0 "[ . 1 .]" 1
316 1 54 VAL HA 1 76 VAL HB 3.900 . 5.800 3.486 2.861 5.006 . 0 0 "[ . 1 .]" 1
317 1 28 PRO HG2 1 30 ASN HA 3.900 . 5.800 4.211 3.755 4.499 . 0 0 "[ . 1 .]" 1
318 1 59 PHE HA 1 60 PRO HB3 4.100 . 6.000 5.400 4.788 5.600 . 0 0 "[ . 1 .]" 1
319 1 64 LYS HA 1 64 LYS HB3 2.600 . 3.500 2.444 2.280 2.886 . 0 0 "[ . 1 .]" 1
320 1 44 LYS QB 1 56 ASN HA 3.200 . 6.000 5.325 4.927 5.489 . 0 0 "[ . 1 .]" 1
321 1 51 MET HA 1 51 MET HB3 1.800 . 2.200 2.418 2.358 2.498 0.298 14 0 "[ . 1 .]" 1
322 1 6 VAL HA 1 6 VAL HB 2.900 . 4.000 2.969 2.792 2.995 . 0 0 "[ . 1 .]" 1
323 1 79 LYS HA 1 79 LYS QB . . 2.200 2.149 2.141 2.156 . 0 0 "[ . 1 .]" 1
324 1 16 THR HA 1 109 LYS HB2 2.500 . 3.300 3.267 3.039 3.614 0.314 2 0 "[ . 1 .]" 1
325 1 24 GLU HB2 1 75 HIS HA 4.300 . 6.000 3.542 2.328 5.286 . 0 0 "[ . 1 .]" 1
326 1 109 LYS HA 1 109 LYS HB2 2.700 . 3.600 2.495 2.374 2.576 . 0 0 "[ . 1 .]" 1
327 1 106 VAL HA 1 106 VAL HB 2.700 . 3.600 2.506 2.458 2.807 . 0 0 "[ . 1 .]" 1
328 1 29 SER QB 1 31 PRO HB2 6.000 . 6.000 5.367 4.960 6.025 0.025 12 0 "[ . 1 .]" 1
329 1 64 LYS HA 1 64 LYS HB2 2.700 . 3.600 2.467 2.234 2.645 . 0 0 "[ . 1 .]" 1
330 1 91 MET HA 1 91 MET HB3 2.500 . 3.300 2.331 2.248 2.477 . 0 0 "[ . 1 .]" 1
331 1 8 LYS HB2 1 27 LEU HA 6.000 . 6.000 3.816 3.622 4.015 . 0 0 "[ . 1 .]" 1
332 1 89 THR HA 1 103 ARG HG3 3.000 . 4.100 1.880 1.639 2.093 0.261 1 0 "[ . 1 .]" 1
333 1 8 LYS QD 1 29 SER HA 4.200 . 6.000 5.870 5.489 5.952 . 0 0 "[ . 1 .]" 1
334 1 64 LYS QD 1 66 LEU HA 3.600 . 6.000 5.906 5.640 6.080 0.080 4 0 "[ . 1 .]" 1
335 1 64 LYS HA 1 64 LYS QD 4.100 . 6.000 3.682 3.457 3.775 . 0 0 "[ . 1 .]" 1
336 1 4 HIS HA 1 5 LYS HB3 5.900 . 6.000 4.479 4.288 4.765 . 0 0 "[ . 1 .]" 1
337 1 66 LEU HA 1 66 LEU HB3 2.800 . 3.800 2.867 2.417 3.021 . 0 0 "[ . 1 .]" 1
338 1 10 HIS HA 1 13 ALA MB 2.200 . 2.800 1.825 1.546 1.952 0.054 15 0 "[ . 1 .]" 1
339 1 24 GLU HA 1 24 GLU HG2 3.800 . 5.600 3.335 2.299 3.933 . 0 0 "[ . 1 .]" 1
340 1 87 ASN HA 1 88 LEU HB2 5.100 . 6.000 4.576 4.467 4.686 . 0 0 "[ . 1 .]" 1
341 1 88 LEU HB2 1 89 THR HA 4.400 . 6.000 4.984 4.878 5.042 . 0 0 "[ . 1 .]" 1
342 1 16 THR HA 1 109 LYS HD3 3.700 . 5.400 4.995 4.364 5.988 0.588 7 1 "[ . + 1 .]" 1
343 1 109 LYS HA 1 109 LYS HD3 4.600 . 6.000 4.441 3.424 4.881 . 0 0 "[ . 1 .]" 1
344 1 91 MET HA 1 91 MET HB2 2.900 . 4.000 2.981 2.920 3.015 . 0 0 "[ . 1 .]" 1
345 1 31 PRO QG 1 70 GLY HA3 4.300 . 6.000 3.563 2.940 4.098 . 0 0 "[ . 1 .]" 1
346 1 29 SER QB 1 31 PRO QG 3.600 . 5.200 2.765 2.286 3.454 . 0 0 "[ . 1 .]" 1
347 1 29 SER HA 1 31 PRO QG 4.400 . 6.000 5.097 4.671 5.787 . 0 0 "[ . 1 .]" 1
348 1 31 PRO QG 1 70 GLY HA2 3.100 . 4.300 4.239 3.772 5.110 0.810 6 3 "[ .+- 1 * .]" 1
349 1 53 THR HA 1 54 VAL QG 5.500 . 6.000 3.566 3.142 4.029 . 0 0 "[ . 1 .]" 1
350 1 45 GLU HA 1 54 VAL QG 3.700 . 5.400 2.733 2.270 3.551 . 0 0 "[ . 1 .]" 1
351 1 54 VAL QG 1 76 VAL HA 4.800 . 6.000 2.622 1.880 3.997 0.020 3 0 "[ . 1 .]" 1
352 1 110 ALA HA 1 110 ALA MB 2.300 . 2.900 2.133 2.129 2.141 . 0 0 "[ . 1 .]" 1
353 1 32 THR MG 1 36 ALA HA 3.500 . 5.000 5.276 5.086 6.023 1.023 9 1 "[ . +1 .]" 1
354 1 33 THR HB 1 33 THR MG 2.400 . 3.100 2.129 2.123 2.137 . 0 0 "[ . 1 .]" 1
355 1 33 THR HA 1 33 THR MG 2.800 . 3.800 3.046 2.243 3.233 . 0 0 "[ . 1 .]" 1
356 1 16 THR HA 1 109 LYS HB3 4.100 . 6.000 2.351 1.983 2.582 0.017 6 0 "[ . 1 .]" 1
357 1 30 ASN HA 1 31 PRO QG 5.100 . 6.000 4.075 3.820 4.223 . 0 0 "[ . 1 .]" 1
358 1 36 ALA MB 1 90 TYR HA 4.600 . 6.000 4.630 4.246 4.882 . 0 0 "[ . 1 .]" 1
359 1 109 LYS HA 1 109 LYS HB3 2.300 . 2.900 2.320 2.213 2.570 . 0 0 "[ . 1 .]" 1
360 1 31 PRO QG 1 60 PRO HA 4.500 . 6.000 3.805 3.008 4.578 . 0 0 "[ . 1 .]" 1
361 1 15 LEU HA 1 15 LEU HB3 2.700 . 3.600 2.514 2.259 3.023 . 0 0 "[ . 1 .]" 1
362 1 16 THR HA 1 16 THR MG 2.800 . 3.700 2.456 2.409 2.520 . 0 0 "[ . 1 .]" 1
363 1 16 THR MG 1 17 VAL HA 6.000 . 6.000 3.422 3.238 3.588 . 0 0 "[ . 1 .]" 1
364 1 7 THR HB 1 7 THR MG 2.300 . 3.000 2.135 2.130 2.141 . 0 0 "[ . 1 .]" 1
365 1 6 VAL HA 1 7 THR MG 3.700 . 5.400 4.140 3.701 4.390 . 0 0 "[ . 1 .]" 1
366 1 7 THR HA 1 7 THR MG 2.200 . 2.800 2.205 2.168 2.262 . 0 0 "[ . 1 .]" 1
367 1 89 THR MG 1 91 MET HA 4.500 . 6.000 4.291 3.982 4.490 . 0 0 "[ . 1 .]" 1
368 1 89 THR MG 1 101 SER HA 4.300 . 6.000 4.791 4.221 5.097 . 0 0 "[ . 1 .]" 1
369 1 9 ALA MB 1 10 HIS HA 3.600 . 5.200 3.826 3.751 3.903 . 0 0 "[ . 1 .]" 1
370 1 57 LYS HA 1 57 LYS HG3 4.000 . 6.000 3.745 3.312 4.270 . 0 0 "[ . 1 .]" 1
371 1 71 THR HA 1 71 THR MG 2.400 . 3.100 2.118 2.065 2.306 . 0 0 "[ . 1 .]" 1
372 1 14 THR MG 1 15 LEU HA 3.800 . 5.600 3.699 3.468 3.904 . 0 0 "[ . 1 .]" 1
373 1 14 THR HA 1 14 THR MG 2.500 . 3.300 2.357 2.319 2.396 . 0 0 "[ . 1 .]" 1
374 1 83 THR MG 1 110 ALA HA 5.400 . 6.000 6.021 5.925 6.142 0.142 1 0 "[ . 1 .]" 1
375 1 78 VAL MG1 1 79 LYS HA 5.100 . 6.000 3.705 3.483 4.034 . 0 0 "[ . 1 .]" 1
376 1 83 THR MG 1 109 LYS HA 3.000 . 4.100 2.260 2.133 2.373 . 0 0 "[ . 1 .]" 1
377 1 54 VAL HA 1 76 VAL QG 3.400 . 4.800 3.141 2.837 3.604 . 0 0 "[ . 1 .]" 1
378 1 76 VAL HA 1 76 VAL QG 2.900 . 3.900 2.435 2.137 2.599 . 0 0 "[ . 1 .]" 1
379 1 66 LEU HA 1 66 LEU QD . . 3.300 2.178 1.953 3.278 0.047 6 0 "[ . 1 .]" 1
380 1 77 THR HA 1 77 THR MG 2.700 . 3.600 2.311 2.267 2.389 . 0 0 "[ . 1 .]" 1
381 1 6 VAL MG1 1 7 THR HA 3.800 . 5.600 3.281 3.161 3.683 . 0 0 "[ . 1 .]" 1
382 1 65 LEU HA 1 65 LEU MD2 2.600 . 3.400 2.832 1.905 3.884 0.484 1 0 "[ . 1 .]" 1
383 1 23 VAL MG1 1 110 ALA HA 4.400 . 6.000 4.419 3.928 4.792 . 0 0 "[ . 1 .]" 1
384 1 106 VAL MG1 1 107 TYR HA 3.700 . 5.400 3.833 3.367 3.989 . 0 0 "[ . 1 .]" 1
385 1 23 VAL MG1 1 24 GLU HA 3.800 . 5.600 3.725 3.589 3.850 . 0 0 "[ . 1 .]" 1
386 1 14 THR HA 1 106 VAL MG1 5.000 . 6.000 5.668 4.628 6.041 0.041 2 0 "[ . 1 .]" 1
387 1 31 PRO HA 1 35 PHE QB 3.000 . 6.000 5.344 4.802 5.675 . 0 0 "[ . 1 .]" 1
388 1 14 THR HA 1 106 VAL MG2 4.000 . 6.000 3.783 3.425 4.124 . 0 0 "[ . 1 .]" 1
389 1 35 PHE QB 1 91 MET HA 5.000 . 6.000 2.950 2.262 3.982 . 0 0 "[ . 1 .]" 1
390 1 106 VAL MG2 1 107 TYR HA 6.000 . 6.000 3.859 3.703 4.783 . 0 0 "[ . 1 .]" 1
391 1 13 ALA HA 1 106 VAL MG2 6.000 . 6.000 4.057 3.880 4.161 . 0 0 "[ . 1 .]" 1
392 1 87 ASN HA 1 88 LEU HG 5.900 . 6.000 4.068 3.986 4.117 . 0 0 "[ . 1 .]" 1
393 1 22 LEU HA 1 22 LEU QD 3.000 . 4.100 2.138 2.082 2.211 . 0 0 "[ . 1 .]" 1
394 1 4 HIS HA 1 23 VAL MG2 6.000 . 6.000 4.027 3.841 4.310 . 0 0 "[ . 1 .]" 1
395 1 25 ILE HA 1 25 ILE MD 2.700 . 3.600 2.109 1.994 2.186 . 0 0 "[ . 1 .]" 1
396 1 25 ILE MD 1 106 VAL HA 4.300 . 6.000 5.468 5.297 5.542 . 0 0 "[ . 1 .]" 1
397 1 6 VAL MG2 1 7 THR HA 4.800 . 6.000 5.206 4.832 5.271 . 0 0 "[ . 1 .]" 1
398 1 6 VAL HA 1 6 VAL MG2 2.400 . 3.100 2.170 2.103 2.191 . 0 0 "[ . 1 .]" 1
399 1 17 VAL QG 1 110 ALA HA 3.700 . 4.900 1.847 1.751 1.971 0.249 8 0 "[ . 1 .]" 1
400 1 105 THR MG 1 107 TYR HA 3.300 . 4.700 4.344 4.205 4.419 . 0 0 "[ . 1 .]" 1
401 1 105 THR HA 1 105 THR MG 2.600 . 3.400 2.433 2.387 2.476 . 0 0 "[ . 1 .]" 1
402 1 85 ALA HA 1 105 THR MG 4.400 . 6.000 4.458 4.101 4.843 . 0 0 "[ . 1 .]" 1
403 1 27 LEU HA 1 27 LEU HG 3.000 . 4.100 3.405 2.319 3.701 . 0 0 "[ . 1 .]" 1
404 1 26 GLN HA 1 27 LEU HG 5.200 . 6.000 5.656 4.337 6.037 0.037 10 0 "[ . 1 .]" 1
405 1 17 VAL HA 1 17 VAL QG 2.900 . 3.900 2.398 2.268 2.441 . 0 0 "[ . 1 .]" 1
406 1 25 ILE MG 1 27 LEU HA 4.400 . 6.000 5.088 4.885 5.246 . 0 0 "[ . 1 .]" 1
407 1 7 THR HA 1 25 ILE MG 4.100 . 6.000 5.147 4.891 5.544 . 0 0 "[ . 1 .]" 1
408 1 34 GLY QA 1 92 ARG HG2 2.800 . 3.700 2.517 2.146 3.272 . 0 0 "[ . 1 .]" 1
409 1 38 TYR HA 1 88 LEU QD 4.200 . 6.000 3.372 3.019 3.594 . 0 0 "[ . 1 .]" 1
410 1 73 HIS HA 1 73 HIS QB 2.100 . 2.600 2.231 2.157 2.339 . 0 0 "[ . 1 .]" 1
411 1 26 GLN HB2 1 73 HIS HA 4.300 . 6.000 3.332 2.993 3.599 . 0 0 "[ . 1 .]" 1
412 1 71 THR MG 1 73 HIS HA 4.500 . 6.000 5.694 4.671 5.954 . 0 0 "[ . 1 .]" 1
413 1 29 SER QB 1 30 ASN HB2 4.000 . 6.000 5.230 4.958 5.788 . 0 0 "[ . 1 .]" 1
414 1 46 SER HA 1 47 PRO QD . . 2.600 1.775 1.603 1.904 0.397 6 0 "[ . 1 .]" 1
415 1 59 PHE QB 1 60 PRO HD3 6.000 . 6.000 4.034 3.820 4.196 . 0 0 "[ . 1 .]" 1
416 1 59 PHE QB 1 60 PRO HD2 3.600 . 5.200 4.109 3.674 4.516 . 0 0 "[ . 1 .]" 1
417 1 58 TYR QB 1 60 PRO HD3 4.000 . 6.000 3.357 2.796 3.949 . 0 0 "[ . 1 .]" 1
418 1 29 SER QB 1 72 GLU HG3 . . 3.100 1.904 1.662 2.747 0.338 5 0 "[ . 1 .]" 1
419 1 38 TYR HB2 1 42 GLY HA2 5.300 . 6.000 4.978 3.581 5.976 . 0 0 "[ . 1 .]" 1
420 1 38 TYR HB2 1 41 GLY HA2 2.900 . 4.000 2.637 1.934 4.068 0.068 13 0 "[ . 1 .]" 1
421 1 89 THR HB 1 91 MET QG 3.300 . 4.700 2.824 2.574 3.108 . 0 0 "[ . 1 .]" 1
422 1 28 PRO QB 1 28 PRO HD3 3.100 . 4.300 2.896 2.819 3.019 . 0 0 "[ . 1 .]" 1
423 1 35 PHE HA 1 35 PHE QB 2.700 . 3.600 2.340 2.237 2.459 . 0 0 "[ . 1 .]" 1
424 1 40 GLU HA 1 40 GLU QG 3.300 . 4.700 3.006 2.410 3.371 . 0 0 "[ . 1 .]" 1
425 1 29 SER QB 1 72 GLU HG2 4.100 . 6.000 3.445 3.208 4.111 . 0 0 "[ . 1 .]" 1
426 1 58 TYR QB 1 72 GLU HG2 3.000 . 4.100 1.911 1.419 2.120 0.481 3 0 "[ . 1 .]" 1
427 1 47 PRO HB3 1 47 PRO QD 4.200 . 6.000 3.520 3.475 3.541 . 0 0 "[ . 1 .]" 1
428 1 61 PRO HB3 1 67 GLY QA 3.700 . 5.400 2.516 1.454 3.782 0.546 15 1 "[ . 1 +]" 1
429 1 28 PRO HD3 1 28 PRO HG3 2.200 . 2.800 2.291 2.269 2.314 . 0 0 "[ . 1 .]" 1
430 1 97 PRO QB 1 97 PRO HD3 3.900 . 5.800 3.430 2.919 3.530 . 0 0 "[ . 1 .]" 1
431 1 29 SER QB 1 60 PRO HG3 3.600 . 5.200 4.676 3.491 5.098 . 0 0 "[ . 1 .]" 1
432 1 49 GLU HA 1 49 GLU QB 2.600 . 3.400 2.208 2.155 2.507 . 0 0 "[ . 1 .]" 1
433 1 29 SER QB 1 72 GLU HB2 6.000 . 6.000 3.650 3.380 4.089 . 0 0 "[ . 1 .]" 1
434 1 6 VAL HB 1 10 HIS QB 4.500 . 6.000 3.996 3.943 4.137 . 0 0 "[ . 1 .]" 1
435 1 8 LYS HB3 1 28 PRO HD3 4.100 . 6.000 3.608 3.463 3.728 . 0 0 "[ . 1 .]" 1
436 1 41 GLY HA2 1 91 MET ME 3.700 . 5.400 2.469 1.937 2.693 0.063 9 0 "[ . 1 .]" 1
437 1 8 LYS HB3 1 9 ALA HA 3.600 . 5.200 4.248 4.155 4.352 . 0 0 "[ . 1 .]" 1
438 1 91 MET QG 1 101 SER HB2 3.900 . 5.800 2.502 1.922 3.042 0.078 3 0 "[ . 1 .]" 1
439 1 91 MET HB3 1 101 SER HB3 4.600 . 6.000 3.267 2.681 4.149 . 0 0 "[ . 1 .]" 1
440 1 8 LYS HB2 1 28 PRO HD3 1.800 . 2.200 2.012 1.761 2.242 0.042 13 0 "[ . 1 .]" 1
441 1 8 LYS HB2 1 28 PRO HD2 3.400 . 4.800 2.676 2.450 2.866 . 0 0 "[ . 1 .]" 1
442 1 103 ARG HB2 1 103 ARG HD3 2.500 . 3.300 2.751 2.716 2.787 . 0 0 "[ . 1 .]" 1
443 1 8 LYS QD 1 28 PRO HD3 5.300 . 6.000 3.239 2.841 3.714 . 0 0 "[ . 1 .]" 1
444 1 34 GLY QA 1 93 PRO HG2 5.700 . 6.000 5.342 5.091 5.581 . 0 0 "[ . 1 .]" 1
445 1 29 SER QB 1 66 LEU HG 3.900 . 5.800 5.509 4.972 5.710 . 0 0 "[ . 1 .]" 1
446 1 10 HIS QB 1 13 ALA MB . . 3.300 2.280 2.124 2.607 . 0 0 "[ . 1 .]" 1
447 1 8 LYS HA 1 8 LYS HG3 3.200 . 4.500 3.226 2.925 3.310 . 0 0 "[ . 1 .]" 1
448 1 8 LYS HG3 1 9 ALA HA 4.000 . 6.000 3.674 3.422 3.884 . 0 0 "[ . 1 .]" 1
449 1 91 MET HB2 1 96 GLY HA2 4.800 . 6.000 3.636 2.507 4.690 . 0 0 "[ . 1 .]" 1
450 1 91 MET HB2 1 101 SER HB2 5.300 . 6.000 5.248 4.583 5.882 . 0 0 "[ . 1 .]" 1
451 1 81 ALA MB 1 82 GLY HA2 4.700 . 6.000 4.153 4.085 4.232 . 0 0 "[ . 1 .]" 1
452 1 78 VAL HA 1 79 LYS QB 3.200 . 4.500 3.945 3.342 4.391 . 0 0 "[ . 1 .]" 1
453 1 15 LEU QB 1 16 THR HB 4.100 . 6.000 4.687 4.450 5.507 . 0 0 "[ . 1 .]" 1
454 1 26 GLN HG2 1 71 THR HB 4.700 . 6.000 4.769 4.277 5.457 . 0 0 "[ . 1 .]" 1
455 1 89 THR MG 1 103 ARG HD3 4.400 . 6.000 4.147 3.981 4.334 . 0 0 "[ . 1 .]" 1
456 1 89 THR MG 1 101 SER HB3 3.100 . 4.300 3.190 2.561 4.032 . 0 0 "[ . 1 .]" 1
457 1 9 ALA HA 1 9 ALA MB 2.000 . 2.500 2.126 2.120 2.131 . 0 0 "[ . 1 .]" 1
458 1 46 SER HB3 1 78 VAL MG1 4.300 . 6.000 4.620 3.567 5.273 . 0 0 "[ . 1 .]" 1
459 1 14 THR HB 1 14 THR MG 2.100 . 2.600 2.136 2.134 2.138 . 0 0 "[ . 1 .]" 1
460 1 47 PRO QD 1 78 VAL MG1 3.300 . 6.000 4.207 3.232 4.895 . 0 0 "[ . 1 .]" 1
461 1 46 SER HA 1 76 VAL QG 2.600 . 3.500 3.353 3.071 3.525 0.025 13 0 "[ . 1 .]" 1
462 1 31 PRO HD2 1 66 LEU QD 4.000 . 6.000 4.395 1.551 6.069 0.449 13 0 "[ . 1 .]" 1
463 1 92 ARG HB3 1 95 THR HB 3.500 . 5.100 4.844 4.596 5.161 0.061 1 0 "[ . 1 .]" 1
464 1 10 HIS QB 1 106 VAL MG2 4.500 . 6.000 2.071 1.709 2.388 0.291 2 0 "[ . 1 .]" 1
465 1 86 VAL HA 1 86 VAL QG 2.600 . 3.400 2.126 2.095 2.369 . 0 0 "[ . 1 .]" 1
466 1 76 VAL QG 1 78 VAL HA 3.600 . 5.300 4.829 4.225 5.187 . 0 0 "[ . 1 .]" 1
467 1 6 VAL MG2 1 10 HIS QB 3.900 . 5.000 2.163 1.754 2.263 0.246 15 0 "[ . 1 .]" 1
468 1 27 LEU HB3 1 28 PRO HD2 2.700 . 3.600 2.520 2.378 2.685 . 0 0 "[ . 1 .]" 1
469 1 105 THR HB 1 105 THR MG 2.400 . 3.100 2.129 2.124 2.135 . 0 0 "[ . 1 .]" 1
470 1 27 LEU HB2 1 28 PRO HD3 5.300 . 6.000 4.296 3.848 4.504 . 0 0 "[ . 1 .]" 1
471 1 27 LEU HG 1 28 PRO HD2 3.300 . 4.700 4.026 3.848 4.122 . 0 0 "[ . 1 .]" 1
472 1 27 LEU HG 1 28 PRO HD3 5.200 . 6.000 4.947 4.064 5.290 . 0 0 "[ . 1 .]" 1
473 1 35 PHE HA 1 92 ARG HG3 3.100 . 4.300 3.193 2.885 3.464 . 0 0 "[ . 1 .]" 1
474 1 35 PHE HA 1 92 ARG HG2 3.900 . 5.800 4.026 3.670 4.437 . 0 0 "[ . 1 .]" 1
475 1 92 ARG HB2 1 97 PRO QB 4.000 . 6.000 5.268 4.836 5.725 . 0 0 "[ . 1 .]" 1
476 1 56 ASN HA 1 74 PHE HA 2.400 . 3.100 2.584 2.293 2.806 . 0 0 "[ . 1 .]" 1
477 1 37 TRP HA 1 90 TYR QD 3.500 . 6.000 2.722 2.418 3.505 . 0 0 "[ . 1 .]" 1
478 1 26 GLN HA 1 73 HIS HA 1.900 . 2.300 1.810 1.674 1.896 . 0 0 "[ . 1 .]" 1
479 1 110 ALA HA 1 111 ASN HA 4.500 . 6.000 4.444 4.381 4.572 . 0 0 "[ . 1 .]" 1
480 1 90 TYR HA 1 90 TYR QD 2.700 . 6.000 2.392 1.803 2.952 . 0 0 "[ . 1 .]" 1
481 1 56 ASN HA 1 57 LYS HA 4.600 . 6.000 4.436 4.345 4.533 . 0 0 "[ . 1 .]" 1
482 1 36 ALA HA 1 90 TYR QD 3.000 . 4.100 3.011 2.717 3.262 . 0 0 "[ . 1 .]" 1
483 1 81 ALA HA 1 110 ALA HA 4.800 . 6.000 5.934 5.785 6.109 0.109 8 0 "[ . 1 .]" 1
484 1 90 TYR QD 1 101 SER HB3 6.000 . 6.000 5.444 4.572 6.474 0.474 3 0 "[ . 1 .]" 1
485 1 30 ASN HA 1 31 PRO HD3 2.400 . 3.100 2.341 1.997 2.570 . 0 0 "[ . 1 .]" 1
486 1 54 VAL HA 1 76 VAL HA 2.300 . 3.000 1.855 1.612 2.587 . 0 0 "[ . 1 .]" 1
487 1 102 GLU HA 1 103 ARG HA 4.500 . 6.000 4.556 4.367 4.619 . 0 0 "[ . 1 .]" 1
488 1 14 THR HA 1 14 THR HB 2.900 . 4.000 3.033 3.029 3.038 . 0 0 "[ . 1 .]" 1
489 1 77 THR HA 1 77 THR HB 2.700 . 3.600 3.031 3.021 3.038 . 0 0 "[ . 1 .]" 1
490 1 11 ASN HA 1 104 PHE HA 4.900 . 6.000 3.044 2.872 3.273 . 0 0 "[ . 1 .]" 1
491 1 81 ALA HA 1 111 ASN HA 3.100 . 4.300 2.833 2.083 3.042 . 0 0 "[ . 1 .]" 1
492 1 101 SER HA 1 101 SER HB3 2.600 . 3.400 2.403 2.316 2.458 . 0 0 "[ . 1 .]" 1
493 1 98 SER HA 1 98 SER HB3 2.700 . 3.600 2.651 2.325 3.029 . 0 0 "[ . 1 .]" 1
494 1 7 THR HA 1 8 LYS HA 4.400 . 6.000 4.209 3.950 4.280 . 0 0 "[ . 1 .]" 1
495 1 29 SER QB 1 70 GLY HA3 4.300 . 4.600 2.456 1.950 3.048 0.050 10 0 "[ . 1 .]" 1
496 1 35 PHE HA 1 91 MET HA 5.000 . 6.000 3.414 3.123 3.640 . 0 0 "[ . 1 .]" 1
497 1 71 THR HA 1 71 THR HB 2.400 . 3.100 2.734 2.592 3.040 . 0 0 "[ . 1 .]" 1
498 1 98 SER HA 1 98 SER HB2 2.800 . 3.800 2.759 2.482 3.031 . 0 0 "[ . 1 .]" 1
499 1 59 PHE HA 1 71 THR HB 4.800 . 6.000 5.998 5.788 6.267 0.267 11 0 "[ . 1 .]" 1
500 1 59 PHE HA 1 60 PRO HD2 2.200 . 2.800 2.580 2.416 2.847 0.047 11 0 "[ . 1 .]" 1
501 1 29 SER HA 1 31 PRO HD3 5.600 . 6.000 4.913 4.397 5.622 . 0 0 "[ . 1 .]" 1
502 1 61 PRO HD3 1 70 GLY HA3 4.000 . 6.000 2.877 2.045 5.213 . 0 0 "[ . 1 .]" 1
503 1 59 PHE HA 1 60 PRO HD3 2.900 . 3.900 2.070 1.840 2.265 0.060 11 0 "[ . 1 .]" 1
504 1 60 PRO HA 1 61 PRO HD3 2.300 . 3.000 2.172 1.662 3.316 0.316 8 0 "[ . 1 .]" 1
505 1 39 PHE HB3 1 44 LYS HA 2.500 . 3.300 3.146 2.788 3.378 0.078 7 0 "[ . 1 .]" 1
506 1 27 LEU HA 1 28 PRO HD2 2.600 . 3.400 2.483 2.333 2.676 . 0 0 "[ . 1 .]" 1
507 1 4 HIS HA 1 5 LYS HA 4.300 . 6.000 4.436 4.390 4.476 . 0 0 "[ . 1 .]" 1
508 1 16 THR HA 1 17 VAL HA 4.300 . 6.000 4.409 4.367 4.434 . 0 0 "[ . 1 .]" 1
509 1 17 VAL HA 1 18 ALA HA 4.400 . 6.000 4.441 4.406 4.486 . 0 0 "[ . 1 .]" 1
510 1 84 HIS HA 1 85 ALA HA 4.000 . 6.000 4.415 4.398 4.428 . 0 0 "[ . 1 .]" 1
511 1 89 THR HA 1 90 TYR HA 4.300 . 6.000 4.376 4.333 4.415 . 0 0 "[ . 1 .]" 1
512 1 5 LYS HA 1 25 ILE HA 3.700 . 5.400 4.120 3.961 4.498 . 0 0 "[ . 1 .]" 1
513 1 43 THR HA 1 43 THR HB 2.400 . 3.100 2.765 2.571 3.019 . 0 0 "[ . 1 .]" 1
514 1 6 VAL HA 1 7 THR HA 4.400 . 6.000 4.407 4.361 4.485 . 0 0 "[ . 1 .]" 1
515 1 106 VAL HA 1 107 TYR HA 4.000 . 6.000 4.368 4.337 4.387 . 0 0 "[ . 1 .]" 1
516 1 44 LYS HA 1 45 GLU HA 4.400 . 6.000 4.401 4.379 4.445 . 0 0 "[ . 1 .]" 1
517 1 28 PRO HA 1 71 THR HA 2.400 . 3.100 2.377 2.047 2.574 . 0 0 "[ . 1 .]" 1
518 1 16 THR MG 1 17 VAL QG 4.700 . 6.000 3.397 3.301 3.507 . 0 0 "[ . 1 .]" 1
519 1 29 SER HA 1 29 SER QB 2.600 . 3.500 2.392 2.282 2.427 . 0 0 "[ . 1 .]" 1
520 1 60 PRO HA 1 70 GLY HA2 2.100 . 6.000 3.332 2.543 4.777 . 0 0 "[ . 1 .]" 1
521 1 33 THR HA 1 33 THR HB 2.600 . 3.400 2.558 2.364 3.034 . 0 0 "[ . 1 .]" 1
522 1 35 PHE HA 1 92 ARG HA 2.700 . 3.600 2.194 1.863 2.456 . 0 0 "[ . 1 .]" 1
523 1 29 SER QB 1 31 PRO HD3 5.100 . 6.000 2.601 2.207 3.340 . 0 0 "[ . 1 .]" 1
524 1 61 PRO HD3 1 70 GLY HA2 2.900 . 3.900 2.695 1.956 3.624 . 0 0 "[ . 1 .]" 1
525 1 96 GLY HA3 1 97 PRO HD3 4.900 . 6.000 3.953 3.394 4.426 . 0 0 "[ . 1 .]" 1
526 1 39 PHE HB3 1 89 THR HB 6.000 . 6.000 6.138 6.069 6.200 0.200 9 0 "[ . 1 .]" 1
527 1 38 TYR HB3 1 42 GLY HA3 4.700 . 6.000 5.479 5.224 5.997 . 0 0 "[ . 1 .]" 1
528 1 46 SER HB3 1 47 PRO QD 6.000 . 6.000 3.633 2.575 4.027 . 0 0 "[ . 1 .]" 1
529 1 41 GLY HA2 1 42 GLY HA2 4.900 . 6.000 4.390 4.347 4.483 . 0 0 "[ . 1 .]" 1
530 1 11 ASN HA 1 11 ASN HB3 2.800 . 3.800 3.035 3.027 3.046 . 0 0 "[ . 1 .]" 1
531 1 52 PHE HB3 1 78 VAL HA 2.300 . 2.900 1.755 1.676 1.828 0.024 6 0 "[ . 1 .]" 1
532 1 97 PRO QB 1 100 ASP HB2 4.100 . 6.000 2.332 1.529 2.774 0.471 9 0 "[ . 1 .]" 1
533 1 28 PRO HG3 1 30 ASN HB2 5.100 . 6.000 5.956 5.835 6.084 0.084 3 0 "[ . 1 .]" 1
534 1 60 PRO HG3 1 72 GLU HG3 2.400 . 6.000 4.430 3.330 5.058 . 0 0 "[ . 1 .]" 1
535 1 51 MET ME 1 51 MET QG 3.500 . 5.100 2.220 2.196 2.236 . 0 0 "[ . 1 .]" 1
536 1 4 HIS QB 1 23 VAL HB 4.300 . 6.000 4.213 4.025 4.520 . 0 0 "[ . 1 .]" 1
537 1 26 GLN HG3 1 73 HIS QB 4.400 . 6.000 3.383 3.094 3.949 . 0 0 "[ . 1 .]" 1
538 1 79 LYS QB 1 79 LYS HE3 4.300 . 5.400 3.249 1.818 4.504 0.182 9 0 "[ . 1 .]" 1
539 1 25 ILE HB 1 74 PHE HB2 2.700 . 3.600 2.189 1.957 2.890 . 0 0 "[ . 1 .]" 1
540 1 8 LYS QD 1 30 ASN HB2 3.900 . 5.800 5.304 4.341 5.688 . 0 0 "[ . 1 .]" 1
541 1 26 GLN HB3 1 73 HIS QB 5.900 . 6.000 4.001 3.505 4.831 . 0 0 "[ . 1 .]" 1
542 1 79 LYS QD 1 79 LYS HE3 2.000 . 2.500 2.310 2.163 2.396 . 0 0 "[ . 1 .]" 1
543 1 57 LYS QD 1 73 HIS QB 3.300 . 4.700 1.709 1.462 2.273 0.438 6 0 "[ . 1 .]" 1
544 1 8 LYS HG3 1 11 ASN HB2 4.000 . 6.000 3.994 3.639 4.247 . 0 0 "[ . 1 .]" 1
545 1 88 LEU HB2 1 104 PHE HB3 4.400 . 6.000 2.138 1.972 2.324 0.028 2 0 "[ . 1 .]" 1
546 1 91 MET HB2 1 91 MET QG 2.900 . 3.900 2.353 2.287 2.396 . 0 0 "[ . 1 .]" 1
547 1 64 LYS HE3 1 64 LYS HG3 4.000 . 6.000 3.258 2.314 3.771 . 0 0 "[ . 1 .]" 1
548 1 81 ALA MB 1 111 ASN HB3 4.600 . 6.000 3.259 2.973 3.603 . 0 0 "[ . 1 .]" 1
549 1 26 GLN HB2 1 74 PHE HB2 6.000 . 6.000 6.087 6.006 6.174 0.174 14 0 "[ . 1 .]" 1
550 1 79 LYS HE3 1 79 LYS HG3 3.400 . 4.900 3.426 2.335 4.236 . 0 0 "[ . 1 .]" 1
551 1 26 GLN HB2 1 73 HIS QB 3.100 . 4.300 2.373 1.880 3.225 0.020 7 0 "[ . 1 .]" 1
552 1 30 ASN HB2 1 32 THR MG 3.200 . 4.500 3.507 3.292 3.683 . 0 0 "[ . 1 .]" 1
553 1 89 THR MG 1 91 MET QG 3.600 . 5.200 1.812 1.567 1.891 0.433 11 0 "[ . 1 .]" 1
554 1 84 HIS HB3 1 108 LEU QB 3.700 . 5.400 3.681 1.933 4.325 0.067 8 0 "[ . 1 .]" 1
555 1 57 LYS HE3 1 57 LYS HG3 3.100 . 4.300 3.325 2.342 4.175 . 0 0 "[ . 1 .]" 1
556 1 83 THR MG 1 84 HIS HB2 3.900 . 5.800 4.771 4.617 4.961 . 0 0 "[ . 1 .]" 1
557 1 52 PHE HB2 1 78 VAL MG1 6.000 . 6.000 4.706 4.414 6.070 0.070 14 0 "[ . 1 .]" 1
558 1 48 ASN HB3 1 78 VAL MG1 4.000 . 6.000 4.551 3.254 5.917 . 0 0 "[ . 1 .]" 1
559 1 4 HIS QB 1 23 VAL MG1 3.200 . 4.500 3.028 2.311 3.505 . 0 0 "[ . 1 .]" 1
560 1 52 PHE HB3 1 78 VAL MG2 3.800 . 5.600 3.119 2.940 3.356 . 0 0 "[ . 1 .]" 1
561 1 52 PHE HB2 1 78 VAL MG2 4.700 . 6.000 2.579 2.225 4.242 . 0 0 "[ . 1 .]" 1
562 1 92 ARG HD3 1 95 THR MG 5.500 . 6.000 3.445 2.347 4.697 . 0 0 "[ . 1 .]" 1
563 1 48 ASN HB3 1 78 VAL MG2 4.100 . 6.000 2.899 1.910 4.354 . 0 0 "[ . 1 .]" 1
564 1 4 HIS QB 1 19 VAL QG 3.900 . 4.800 3.765 3.272 3.945 . 0 0 "[ . 1 .]" 1
565 1 4 HIS QB 1 23 VAL MG2 2.900 . 6.000 1.375 1.293 1.619 0.607 7 12 "[** **-+ *1*****]" 1
566 1 76 VAL QG 1 84 HIS HB3 4.400 . 6.000 4.622 4.335 5.209 . 0 0 "[ . 1 .]" 1
567 1 17 VAL QG 1 84 HIS HB3 3.900 . 5.800 4.027 3.688 4.202 . 0 0 "[ . 1 .]" 1
568 1 90 TYR HB2 1 104 PHE HB3 4.800 . 6.000 5.262 4.892 5.621 . 0 0 "[ . 1 .]" 1
569 1 14 THR MG 1 107 TYR HB2 2.400 . 3.100 2.333 1.895 2.724 . 0 0 "[ . 1 .]" 1
570 1 106 VAL MG1 1 107 TYR HB2 5.900 . 6.000 5.497 4.820 5.637 . 0 0 "[ . 1 .]" 1
571 1 86 VAL QG 1 107 TYR HB2 4.800 . 6.000 6.169 6.004 6.294 0.294 10 0 "[ . 1 .]" 1
572 1 44 LYS QB 1 44 LYS HD2 3.100 . 4.300 2.716 2.393 3.237 . 0 0 "[ . 1 .]" 1
573 1 61 PRO HB3 1 66 LEU HB3 3.800 . 5.600 4.426 3.073 6.347 0.747 5 1 "[ + 1 .]" 1
574 1 61 PRO HB3 1 68 ALA MB 4.700 . 6.000 4.954 2.157 6.074 0.074 10 0 "[ . 1 .]" 1
575 1 33 THR MG 1 35 PHE QB 1.400 . 6.000 3.508 2.473 5.026 . 0 0 "[ . 1 .]" 1
576 1 88 LEU HB3 1 104 PHE HB2 4.100 . 6.000 5.266 5.021 5.493 . 0 0 "[ . 1 .]" 1
577 1 31 PRO QG 1 61 PRO HB3 4.100 . 6.000 4.691 3.986 5.679 . 0 0 "[ . 1 .]" 1
578 1 35 PHE QB 1 36 ALA MB 5.000 . 6.000 4.374 4.112 4.470 . 0 0 "[ . 1 .]" 1
579 1 45 GLU HB2 1 45 GLU HG3 2.700 . 3.600 2.391 2.271 2.551 . 0 0 "[ . 1 .]" 1
580 1 26 GLN HG3 1 71 THR MG 3.100 . 4.300 3.165 2.668 3.596 . 0 0 "[ . 1 .]" 1
581 1 26 GLN HG2 1 71 THR MG 3.000 . 4.100 3.523 2.817 3.759 . 0 0 "[ . 1 .]" 1
582 1 83 THR MG 1 109 LYS HB2 4.000 . 6.000 2.524 2.237 2.779 . 0 0 "[ . 1 .]" 1
583 1 83 THR MG 1 109 LYS HD3 5.200 . 6.000 4.180 2.617 4.852 . 0 0 "[ . 1 .]" 1
584 1 83 THR MG 1 109 LYS HB3 2.800 . 3.700 2.711 2.085 3.504 . 0 0 "[ . 1 .]" 1
585 1 78 VAL HB 1 78 VAL MG1 2.300 . 2.900 2.128 2.122 2.130 . 0 0 "[ . 1 .]" 1
586 1 64 LYS QD 1 65 LEU MD1 3.800 . 5.600 4.232 3.375 5.635 0.035 2 0 "[ . 1 .]" 1
587 1 22 LEU HB2 1 77 THR MG 4.000 . 6.000 3.434 3.180 3.755 . 0 0 "[ . 1 .]" 1
588 1 66 LEU QD 1 68 ALA MB 3.600 . 5.200 3.360 2.162 6.090 0.890 11 1 "[ . 1+ .]" 1
589 1 64 LYS QD 1 65 LEU QD 4.500 . 6.000 3.414 2.031 4.728 . 0 0 "[ . 1 .]" 1
590 1 6 VAL HB 1 6 VAL MG1 2.300 . 2.900 2.119 2.104 2.127 . 0 0 "[ . 1 .]" 1
591 1 65 LEU MD2 1 65 LEU HG 3.300 . 4.700 2.127 2.123 2.130 . 0 0 "[ . 1 .]" 1
592 1 91 MET HB2 1 95 THR MG 5.600 . 6.000 5.774 5.193 6.531 0.531 11 1 "[ . 1+ .]" 1
593 1 106 VAL HB 1 106 VAL MG1 2.400 . 3.100 2.123 2.118 2.128 . 0 0 "[ . 1 .]" 1
594 1 13 ALA MB 1 106 VAL MG1 5.000 . 6.000 3.976 3.731 4.109 . 0 0 "[ . 1 .]" 1
595 1 91 MET HB2 1 92 ARG HB3 3.600 . 5.200 5.454 5.231 6.062 0.862 11 3 "[ * - 1+ .]" 1
596 1 19 VAL HB 1 19 VAL QG 2.000 . 2.500 1.890 1.882 1.895 . 0 0 "[ . 1 .]" 1
597 1 19 VAL QG 1 110 ALA MB 2.800 . 3.800 1.898 1.722 2.284 0.078 14 0 "[ . 1 .]" 1
598 1 17 VAL HB 1 19 VAL QG 2.700 . 3.600 3.778 3.690 3.852 0.252 15 0 "[ . 1 .]" 1
599 1 92 ARG HB3 1 93 PRO HG2 3.500 . 5.100 5.059 4.818 5.221 0.121 8 0 "[ . 1 .]" 1
600 1 17 VAL HB 1 23 VAL MG2 2.900 . 3.900 2.820 2.654 3.025 . 0 0 "[ . 1 .]" 1
601 1 13 ALA MB 1 106 VAL MG2 2.400 . 3.100 1.620 1.561 1.680 0.139 8 0 "[ . 1 .]" 1
602 1 6 VAL HB 1 25 ILE MD 2.300 . 2.900 1.749 1.627 2.064 0.073 9 0 "[ . 1 .]" 1
603 1 6 VAL HB 1 6 VAL MG2 2.300 . 3.000 2.122 2.106 2.127 . 0 0 "[ . 1 .]" 1
604 1 27 LEU HB3 1 72 GLU HB3 4.000 . 6.000 5.273 4.814 5.719 . 0 0 "[ . 1 .]" 1
605 1 105 THR MG 1 106 VAL HB 5.500 . 6.000 5.138 4.981 5.210 . 0 0 "[ . 1 .]" 1
606 1 85 ALA MB 1 105 THR MG 3.400 . 4.900 3.742 3.320 4.177 . 0 0 "[ . 1 .]" 1
607 1 27 LEU HB2 1 28 PRO HG2 5.000 . 6.000 5.358 5.291 5.417 . 0 0 "[ . 1 .]" 1
608 1 27 LEU HG 1 28 PRO HG2 4.900 . 6.000 6.117 6.071 6.258 0.258 7 0 "[ . 1 .]" 1
609 1 17 VAL QG 1 108 LEU QB . . 3.300 1.773 1.660 2.016 0.240 3 0 "[ . 1 .]" 1
610 1 14 THR HA 1 107 TYR H 2.900 . 4.000 2.931 2.711 3.181 . 0 0 "[ . 1 .]" 1
611 1 15 LEU H 1 109 LYS H 4.000 . 6.000 4.317 4.150 4.455 . 0 0 "[ . 1 .]" 1
612 1 16 THR HA 1 110 ALA HA 4.400 . 6.000 5.731 5.499 5.884 . 0 0 "[ . 1 .]" 1
613 1 17 VAL HA 1 110 ALA HA 4.900 . 6.000 5.479 5.338 5.592 . 0 0 "[ . 1 .]" 1
614 1 4 HIS HD2 1 17 VAL QG 3.300 . 4.600 2.414 2.307 2.545 . 0 0 "[ . 1 .]" 1
615 1 18 ALA HA 1 110 ALA HA 3.900 . 5.800 4.848 4.418 5.223 . 0 0 "[ . 1 .]" 1
616 1 4 HIS HD2 1 23 VAL MG1 2.900 . 3.900 1.846 1.780 2.083 0.120 15 0 "[ . 1 .]" 1
617 1 25 ILE H 1 25 ILE HA 2.800 . 6.000 2.942 2.930 2.953 . 0 0 "[ . 1 .]" 1
618 1 53 THR HA 1 53 THR HB 2.300 . 3.000 2.517 2.444 2.932 . 0 0 "[ . 1 .]" 1
619 1 23 VAL H 1 77 THR HA 2.200 . 2.800 2.841 2.618 2.943 0.143 13 0 "[ . 1 .]" 1
620 1 83 THR HA 1 110 ALA H 2.500 . 3.300 2.378 2.217 2.566 . 0 0 "[ . 1 .]" 1
621 1 85 ALA HA 1 86 VAL H 2.300 . 2.900 2.142 2.120 2.189 . 0 0 "[ . 1 .]" 1
622 1 85 ALA HA 1 108 LEU H 3.700 . 5.400 3.232 2.920 3.692 . 0 0 "[ . 1 .]" 1
623 1 86 VAL H 1 86 VAL HA 2.900 . 3.900 2.946 2.932 2.951 . 0 0 "[ . 1 .]" 1
624 1 86 VAL H 1 108 LEU H 6.000 . 6.000 4.130 3.988 4.328 . 0 0 "[ . 1 .]" 1
625 1 37 TRP HA 1 90 TYR HA 2.500 . 3.300 2.145 1.966 2.396 . 0 0 "[ . 1 .]" 1
626 1 37 TRP HD1 1 90 TYR QD 3.400 . 6.000 3.493 2.844 4.893 . 0 0 "[ . 1 .]" 1
627 1 37 TRP HD1 1 90 TYR QE 3.100 . 6.000 3.255 2.665 4.421 . 0 0 "[ . 1 .]" 1
628 1 88 LEU H 1 104 PHE H 3.200 . 4.400 2.928 2.865 3.057 . 0 0 "[ . 1 .]" 1
629 1 87 ASN HA 1 105 THR HA 6.000 . 6.000 2.453 2.326 2.575 . 0 0 "[ . 1 .]" 1
630 1 105 THR HA 1 106 VAL H 2.300 . 2.900 2.256 2.220 2.288 . 0 0 "[ . 1 .]" 1
631 1 106 VAL H 1 106 VAL HA 2.900 . 3.900 2.939 2.929 2.955 . 0 0 "[ . 1 .]" 1
632 1 106 VAL HA 1 107 TYR H 2.200 . 2.800 2.132 2.100 2.146 . 0 0 "[ . 1 .]" 1
633 1 86 VAL H 1 106 VAL H 3.500 . 5.100 3.366 3.208 3.551 . 0 0 "[ . 1 .]" 1
634 1 107 TYR HA 1 108 LEU H 2.400 . 3.100 2.146 2.065 2.184 . 0 0 "[ . 1 .]" 1
635 1 15 LEU H 1 107 TYR H 4.200 . 6.000 4.314 4.150 4.540 . 0 0 "[ . 1 .]" 1
636 1 83 THR HA 1 109 LYS HA 2.000 . 2.500 1.963 1.858 2.179 . 0 0 "[ . 1 .]" 1
637 1 17 VAL H 1 110 ALA HA 3.000 . 4.100 3.959 3.767 4.090 . 0 0 "[ . 1 .]" 1
638 1 91 MET HB2 1 92 ARG H 0.800 . 6.000 3.230 2.891 3.799 . 0 0 "[ . 1 .]" 1
639 1 12 GLY H 1 106 VAL HA 1.700 . 6.000 4.946 4.719 5.340 . 0 0 "[ . 1 .]" 1
640 1 18 ALA H 1 18 ALA MB 1.700 . 2.200 2.317 2.286 2.345 0.145 13 0 "[ . 1 .]" 1
641 1 97 PRO HA 1 97 PRO QB 1.900 . 2.300 2.223 2.143 2.278 . 0 0 "[ . 1 .]" 1
642 1 19 VAL HB 1 20 GLY H 1.500 . 2.200 1.941 1.752 2.287 0.087 9 0 "[ . 1 .]" 1
643 1 26 GLN HG2 1 27 LEU H 1.500 . 2.200 2.271 2.216 2.340 0.140 5 0 "[ . 1 .]" 1
644 1 65 LEU QB 1 66 LEU H 1.700 . 2.200 1.974 1.580 2.277 0.077 15 0 "[ . 1 .]" 1
645 1 5 LYS QD 1 5 LYS HE3 2.000 . 2.500 2.337 2.168 2.380 . 0 0 "[ . 1 .]" 1
646 1 55 GLU HA 1 56 ASN H 1.800 . 2.200 2.239 2.165 2.314 0.114 6 0 "[ . 1 .]" 1
647 1 82 GLY HA2 1 83 THR H 1.900 . 2.400 2.442 2.425 2.462 0.062 10 0 "[ . 1 .]" 1
648 1 66 LEU HA 1 67 GLY QA 2.300 . 6.000 4.086 3.625 4.360 . 0 0 "[ . 1 .]" 1
649 1 81 ALA MB 1 111 ASN QD 2.500 . 6.000 4.961 4.547 5.178 . 0 0 "[ . 1 .]" 1
650 1 88 LEU HB2 1 104 PHE QD 2.200 . 6.000 2.040 1.859 2.244 . 0 0 "[ . 1 .]" 1
651 1 27 LEU QD 1 27 LEU HG 1.900 . 2.400 1.888 1.883 1.892 . 0 0 "[ . 1 .]" 1
652 1 14 THR HA 1 15 LEU H 1.900 . 2.300 2.196 2.165 2.226 . 0 0 "[ . 1 .]" 1
653 1 8 LYS HA 1 8 LYS QD 1.900 . 2.400 2.028 1.795 2.207 . 0 0 "[ . 1 .]" 1
654 1 57 LYS QD 1 57 LYS HE3 1.800 . 2.200 2.292 2.153 2.399 0.199 9 0 "[ . 1 .]" 1
655 1 104 PHE HA 1 105 THR H 1.900 . 2.400 2.380 2.329 2.418 0.018 8 0 "[ . 1 .]" 1
656 1 100 ASP H 1 100 ASP HB2 2.300 . 2.900 2.723 2.107 2.957 0.057 10 0 "[ . 1 .]" 1
657 1 109 LYS HB3 1 110 ALA H 2.400 . 3.100 2.714 2.452 2.957 . 0 0 "[ . 1 .]" 1
658 1 18 ALA MB 1 19 VAL H 2.500 . 3.300 3.136 2.838 3.400 0.100 7 0 "[ . 1 .]" 1
659 1 17 VAL HB 1 17 VAL QG 2.000 . 2.500 1.892 1.888 1.899 . 0 0 "[ . 1 .]" 1
660 1 39 PHE QE 1 87 ASN HD21 2.800 . 6.000 4.830 4.188 5.656 . 0 0 "[ . 1 .]" 1
661 1 38 TYR HB2 1 38 TYR QD 2.100 . 2.600 2.467 2.298 2.763 0.163 12 0 "[ . 1 .]" 1
662 1 93 PRO HD3 1 96 GLY HA2 2.400 . 6.000 6.104 6.019 6.260 0.260 11 0 "[ . 1 .]" 1
663 1 71 THR MG 1 72 GLU H 2.800 . 3.800 3.872 3.343 3.984 0.184 11 0 "[ . 1 .]" 1
664 1 87 ASN QB 1 88 LEU H 2.200 . 4.200 3.551 3.521 3.570 . 0 0 "[ . 1 .]" 1
665 1 15 LEU HA 1 15 LEU QD 2.600 . 3.400 3.093 1.841 3.358 . 0 0 "[ . 1 .]" 1
666 1 110 ALA MB 1 111 ASN H 2.500 . 3.300 2.999 2.443 3.311 0.011 8 0 "[ . 1 .]" 1
667 1 110 ALA HA 1 111 ASN H 2.100 . 2.600 2.175 2.076 2.349 . 0 0 "[ . 1 .]" 1
668 1 23 VAL MG2 1 24 GLU H 2.700 . 3.600 3.598 3.318 3.805 0.205 8 0 "[ . 1 .]" 1
669 1 87 ASN HA 1 88 LEU H 2.000 . 2.500 2.129 2.085 2.159 . 0 0 "[ . 1 .]" 1
670 1 97 PRO HA 1 98 SER H 2.300 . 3.000 2.195 2.106 2.880 . 0 0 "[ . 1 .]" 1
671 1 14 THR MG 1 15 LEU H 2.600 . 3.500 3.045 2.852 3.213 . 0 0 "[ . 1 .]" 1
672 1 6 VAL HA 1 7 THR H 2.100 . 2.700 2.174 2.056 2.358 . 0 0 "[ . 1 .]" 1
673 1 34 GLY H 1 34 GLY QA 2.200 . 2.800 2.272 2.188 2.496 . 0 0 "[ . 1 .]" 1
674 1 111 ASN HB2 1 111 ASN QD 2.900 . 3.900 3.216 2.196 3.356 . 0 0 "[ . 1 .]" 1
675 1 37 TRP HZ3 1 104 PHE HB2 2.300 . 2.900 2.730 2.485 2.867 . 0 0 "[ . 1 .]" 1
676 1 56 ASN HA 1 57 LYS H 2.200 . 2.800 2.214 2.121 2.342 . 0 0 "[ . 1 .]" 1
677 1 27 LEU QD 1 37 TRP HZ2 2.400 . 3.100 3.093 2.892 3.174 0.074 1 0 "[ . 1 .]" 1
678 1 58 TYR HA 1 59 PHE QD 2.400 . 6.000 4.017 3.418 5.517 . 0 0 "[ . 1 .]" 1
679 1 103 ARG H 1 103 ARG HA 2.200 . 2.800 2.886 2.862 2.943 0.143 9 0 "[ . 1 .]" 1
680 1 15 LEU HA 1 16 THR H 2.400 . 3.100 2.447 2.363 2.569 . 0 0 "[ . 1 .]" 1
681 1 19 VAL HA 1 20 GLY H 2.500 . 3.300 2.715 2.518 3.078 . 0 0 "[ . 1 .]" 1
682 1 23 VAL HA 1 24 GLU H 2.200 . 2.800 2.142 2.094 2.178 . 0 0 "[ . 1 .]" 1
683 1 97 PRO QB 1 100 ASP HB3 2.300 . 2.900 1.811 1.306 3.160 0.394 8 0 "[ . 1 .]" 1
684 1 14 THR H 1 14 THR HB 2.400 . 3.100 2.920 2.765 2.996 . 0 0 "[ . 1 .]" 1
685 1 13 ALA H 1 106 VAL HA 2.300 . 3.000 2.567 2.426 2.854 . 0 0 "[ . 1 .]" 1
686 1 39 PHE HB3 1 39 PHE QD 2.400 . 3.100 2.477 2.438 2.537 . 0 0 "[ . 1 .]" 1
687 1 52 PHE QD 1 77 THR MG 2.500 . 3.300 2.003 1.758 2.712 . 0 0 "[ . 1 .]" 1
688 1 73 HIS HA 1 74 PHE H 2.100 . 2.600 2.185 2.125 2.320 . 0 0 "[ . 1 .]" 1
689 1 54 VAL HA 1 55 GLU H 2.300 . 2.900 2.161 2.112 2.226 . 0 0 "[ . 1 .]" 1
690 1 70 GLY HA3 1 71 THR H 2.500 . 3.300 2.687 2.213 3.331 0.031 11 0 "[ . 1 .]" 1
691 1 80 ALA HA 1 81 ALA H 2.400 . 3.100 2.287 2.139 2.492 . 0 0 "[ . 1 .]" 1
692 1 83 THR H 1 83 THR HB 2.500 . 3.300 2.805 2.733 2.921 . 0 0 "[ . 1 .]" 1
693 1 11 ASN HA 1 12 GLY H 2.400 . 6.000 3.427 3.378 3.447 . 0 0 "[ . 1 .]" 1
694 1 56 ASN HA 1 56 ASN HB3 2.200 . 2.800 2.449 2.349 2.548 . 0 0 "[ . 1 .]" 1
695 1 52 PHE HB3 1 52 PHE QD 2.200 . 2.800 2.281 2.267 2.299 . 0 0 "[ . 1 .]" 1
696 1 22 LEU H 1 22 LEU HB3 2.300 . 3.000 2.988 2.915 3.157 0.157 3 0 "[ . 1 .]" 1
697 1 56 ASN H 1 56 ASN HA 2.400 . 3.100 2.937 2.902 2.952 . 0 0 "[ . 1 .]" 1
698 1 21 GLU HA 1 22 LEU H 2.800 . 3.800 3.533 3.507 3.556 . 0 0 "[ . 1 .]" 1
699 1 65 LEU HA 1 66 LEU H 2.700 . 3.600 3.485 2.866 3.570 . 0 0 "[ . 1 .]" 1
700 1 72 GLU HA 1 73 HIS H 2.200 . 2.800 2.208 2.161 2.239 . 0 0 "[ . 1 .]" 1
701 1 103 ARG HA 1 103 ARG HG3 2.200 . 2.800 2.440 2.397 2.513 . 0 0 "[ . 1 .]" 1
702 1 18 ALA HA 1 19 VAL H 2.400 . 3.100 2.205 2.156 2.262 . 0 0 "[ . 1 .]" 1
703 1 52 PHE HA 1 53 THR H 2.500 . 3.300 2.573 2.407 2.693 . 0 0 "[ . 1 .]" 1
704 1 8 LYS H 1 28 PRO HD3 2.200 . 2.800 2.611 2.461 2.809 0.009 15 0 "[ . 1 .]" 1
705 1 17 VAL HA 1 18 ALA H 2.400 . 3.100 2.302 2.238 2.381 . 0 0 "[ . 1 .]" 1
706 1 65 LEU QD 1 66 LEU H 3.000 . 4.100 3.277 2.541 3.906 . 0 0 "[ . 1 .]" 1
707 1 53 THR HA 1 54 VAL H 2.500 . 3.300 2.452 2.316 2.568 . 0 0 "[ . 1 .]" 1
708 1 52 PHE HB2 1 52 PHE QD 2.700 . 3.600 2.609 2.532 2.686 . 0 0 "[ . 1 .]" 1
709 1 86 VAL HA 1 87 ASN H 2.300 . 2.900 2.154 2.093 2.182 . 0 0 "[ . 1 .]" 1
710 1 19 VAL QG 1 79 LYS HA 2.700 . 3.600 1.982 1.514 3.157 0.286 6 0 "[ . 1 .]" 1
711 1 81 ALA H 1 81 ALA MB 2.600 . 3.400 2.271 2.220 2.355 . 0 0 "[ . 1 .]" 1
712 1 66 LEU HA 1 67 GLY H 2.500 . 3.300 2.910 2.101 3.520 0.220 3 0 "[ . 1 .]" 1
713 1 56 ASN HA 1 56 ASN HB2 2.700 . 3.600 2.468 2.303 2.983 . 0 0 "[ . 1 .]" 1
714 1 43 THR HA 1 44 LYS H 2.400 . 3.100 2.178 2.125 2.241 . 0 0 "[ . 1 .]" 1
715 1 93 PRO HB2 1 94 TRP H 2.500 . 3.300 3.127 2.697 3.319 0.019 10 0 "[ . 1 .]" 1
716 1 68 ALA HA 1 69 GLY H 2.700 . 3.600 3.447 2.193 3.568 . 0 0 "[ . 1 .]" 1
717 1 54 VAL HA 1 54 VAL QG 2.700 . 3.600 2.296 2.133 2.413 . 0 0 "[ . 1 .]" 1
718 1 61 PRO HD3 1 61 PRO QG 2.400 . 3.100 2.187 2.169 2.205 . 0 0 "[ . 1 .]" 1
719 1 13 ALA HA 1 14 THR H 2.500 . 3.300 2.260 2.193 2.305 . 0 0 "[ . 1 .]" 1
720 1 5 LYS H 1 5 LYS HB3 2.600 . 3.500 3.168 2.694 3.509 0.009 10 0 "[ . 1 .]" 1
721 1 20 GLY H 1 20 GLY HA2 2.400 . 3.100 2.492 2.422 2.570 . 0 0 "[ . 1 .]" 1
722 1 12 GLY H 1 12 GLY HA2 2.800 . 3.800 2.943 2.933 2.953 . 0 0 "[ . 1 .]" 1
723 1 47 PRO QD 1 47 PRO HG3 2.300 . 2.900 2.248 2.233 2.265 . 0 0 "[ . 1 .]" 1
724 1 29 SER QB 1 30 ASN H 2.500 . 3.300 2.309 2.123 2.576 . 0 0 "[ . 1 .]" 1
725 1 19 VAL H 1 19 VAL QG 2.600 . 3.400 2.044 1.903 2.226 . 0 0 "[ . 1 .]" 1
726 1 78 VAL HA 1 79 LYS H 2.400 . 3.100 2.223 2.154 2.286 . 0 0 "[ . 1 .]" 1
727 1 104 PHE HB2 1 104 PHE QD 2.400 . 3.100 2.339 2.312 2.359 . 0 0 "[ . 1 .]" 1
728 1 38 TYR QD 1 39 PHE HB3 2.500 . 6.000 6.027 5.371 6.316 0.316 7 0 "[ . 1 .]" 1
729 1 14 THR H 1 14 THR MG 3.200 . 4.500 3.963 3.898 3.999 . 0 0 "[ . 1 .]" 1
730 1 92 ARG HD3 1 92 ARG HG3 2.500 . 3.300 2.748 2.452 3.019 . 0 0 "[ . 1 .]" 1
731 1 39 PHE QD 1 88 LEU QD 2.500 . 3.300 2.666 2.503 2.749 . 0 0 "[ . 1 .]" 1
732 1 89 THR HA 1 90 TYR H 2.200 . 2.800 2.100 2.060 2.144 . 0 0 "[ . 1 .]" 1
733 1 87 ASN H 1 87 ASN QB 2.900 . 3.900 2.513 2.433 3.045 . 0 0 "[ . 1 .]" 1
734 1 59 PHE QD 1 72 GLU HG2 3.000 . 6.000 5.625 5.033 6.116 0.116 12 0 "[ . 1 .]" 1
735 1 109 LYS H 1 109 LYS HB2 2.400 . 3.100 2.844 2.716 3.046 . 0 0 "[ . 1 .]" 1
736 1 78 VAL MG1 1 80 ALA H 2.800 . 6.000 3.971 3.661 4.360 . 0 0 "[ . 1 .]" 1
737 1 88 LEU H 1 88 LEU HB2 2.800 . 3.800 2.500 2.453 2.565 . 0 0 "[ . 1 .]" 1
738 1 26 GLN HB2 1 74 PHE H 3.100 . 4.300 3.969 3.759 4.105 . 0 0 "[ . 1 .]" 1
739 1 74 PHE HB2 1 88 LEU QD 2.400 . 3.100 2.620 2.249 2.995 . 0 0 "[ . 1 .]" 1
740 1 72 GLU HA 1 72 GLU HB2 2.700 . 3.600 3.030 3.025 3.033 . 0 0 "[ . 1 .]" 1
741 1 86 VAL QG 1 106 VAL MG1 2.600 . 3.500 1.898 1.647 1.977 0.053 14 0 "[ . 1 .]" 1
742 1 39 PHE QD 1 44 LYS HG3 3.000 . 4.100 4.134 3.676 4.488 0.388 10 0 "[ . 1 .]" 1
743 1 50 SER H 1 50 SER HB3 2.800 . 3.700 3.377 2.674 4.082 0.382 15 0 "[ . 1 .]" 1
744 1 17 VAL H 1 17 VAL QG 2.700 . 3.600 2.150 2.020 2.224 . 0 0 "[ . 1 .]" 1
745 1 28 PRO HA 1 29 SER H 2.600 . 3.400 3.178 3.134 3.204 . 0 0 "[ . 1 .]" 1
746 1 80 ALA H 1 80 ALA MB 2.700 . 3.600 2.822 2.802 2.858 . 0 0 "[ . 1 .]" 1
747 1 52 PHE QD 1 78 VAL MG2 3.400 . 4.800 4.014 3.825 4.291 . 0 0 "[ . 1 .]" 1
748 1 38 TYR HB3 1 38 TYR QD 2.500 . 3.300 2.379 2.281 2.490 . 0 0 "[ . 1 .]" 1
749 1 22 LEU QD 1 24 GLU HA 2.800 . 3.800 3.526 3.135 3.677 . 0 0 "[ . 1 .]" 1
750 1 81 ALA MB 1 111 ASN HA 3.000 . 4.100 4.035 3.645 4.163 0.063 12 0 "[ . 1 .]" 1
751 1 28 PRO HA 1 28 PRO QB 2.400 . 3.100 2.192 2.189 2.201 . 0 0 "[ . 1 .]" 1
752 1 15 LEU H 1 15 LEU QD 3.000 . 4.100 2.650 1.896 3.956 0.004 15 0 "[ . 1 .]" 1
753 1 17 VAL QG 1 110 ALA MB 3.000 . 4.100 2.686 2.485 2.871 . 0 0 "[ . 1 .]" 1
754 1 86 VAL QG 1 87 ASN HD21 3.300 . 4.600 4.195 3.829 4.417 . 0 0 "[ . 1 .]" 1
755 1 108 LEU HA 1 108 LEU QB 2.700 . 3.600 2.224 2.159 2.501 . 0 0 "[ . 1 .]" 1
756 1 53 THR HB 1 54 VAL H 3.200 . 4.500 3.721 2.771 4.621 0.121 14 0 "[ . 1 .]" 1
757 1 20 GLY HA2 1 79 LYS QD 3.000 . 6.000 4.193 3.038 5.328 . 0 0 "[ . 1 .]" 1
758 1 48 ASN HA 1 49 GLU H 2.700 . 3.600 2.867 2.315 3.471 . 0 0 "[ . 1 .]" 1
759 1 23 VAL H 1 23 VAL HB 2.500 . 3.300 2.519 2.431 2.739 . 0 0 "[ . 1 .]" 1
760 1 85 ALA HA 1 107 TYR QD 2.800 . 3.800 3.092 2.851 3.612 . 0 0 "[ . 1 .]" 1
761 1 29 SER H 1 29 SER QB 2.900 . 3.900 3.046 2.997 3.442 . 0 0 "[ . 1 .]" 1
762 1 80 ALA H 1 80 ALA HA 2.600 . 3.500 2.840 2.820 2.850 . 0 0 "[ . 1 .]" 1
763 1 24 GLU H 1 24 GLU HA 2.500 . 3.300 2.935 2.930 2.945 . 0 0 "[ . 1 .]" 1
764 1 43 THR H 1 43 THR MG 3.100 . 4.300 3.614 3.374 3.943 . 0 0 "[ . 1 .]" 1
765 1 90 TYR H 1 90 TYR HB3 2.500 . 3.300 2.564 2.484 2.673 . 0 0 "[ . 1 .]" 1
766 1 25 ILE HB 1 74 PHE HB3 2.800 . 3.800 3.112 2.993 3.251 . 0 0 "[ . 1 .]" 1
767 1 92 ARG HD3 1 92 ARG HG2 2.400 . 3.100 2.405 2.325 2.513 . 0 0 "[ . 1 .]" 1
768 1 75 HIS H 1 75 HIS HB3 3.300 . 4.700 3.622 3.564 3.710 . 0 0 "[ . 1 .]" 1
769 1 26 GLN HE21 1 26 GLN HG3 3.200 . 4.500 3.505 3.480 3.570 . 0 0 "[ . 1 .]" 1
770 1 50 SER H 1 51 MET H 2.400 . 3.100 2.292 1.692 2.803 0.008 14 0 "[ . 1 .]" 1
771 1 88 LEU HB2 1 88 LEU QD 2.600 . 3.400 2.244 2.214 2.278 . 0 0 "[ . 1 .]" 1
772 1 105 THR MG 1 106 VAL H 3.000 . 4.100 3.360 3.301 3.390 . 0 0 "[ . 1 .]" 1
773 1 86 VAL H 1 86 VAL QG 2.600 . 3.400 2.046 1.851 2.299 0.149 9 0 "[ . 1 .]" 1
774 1 94 TRP H 1 94 TRP HE3 2.700 . 3.600 2.516 2.281 2.793 . 0 0 "[ . 1 .]" 1
775 1 69 GLY QA 1 70 GLY H 2.900 . 4.000 2.443 2.117 2.868 . 0 0 "[ . 1 .]" 1
776 1 62 ASP QB 1 64 LYS QD 2.900 . 4.000 3.505 2.562 3.927 . 0 0 "[ . 1 .]" 1
777 1 33 THR MG 1 35 PHE QE 2.700 . 3.600 2.791 2.384 3.363 . 0 0 "[ . 1 .]" 1
778 1 41 GLY H 1 41 GLY HA2 2.300 . 3.000 2.443 2.345 2.585 . 0 0 "[ . 1 .]" 1
779 1 104 PHE HA 1 104 PHE QD 2.900 . 3.900 3.176 3.124 3.394 . 0 0 "[ . 1 .]" 1
780 1 62 ASP HA 1 63 SER H 3.000 . 4.100 3.347 2.663 3.538 . 0 0 "[ . 1 .]" 1
781 1 52 PHE HB2 1 78 VAL HA 2.900 . 3.900 2.387 2.102 3.569 . 0 0 "[ . 1 .]" 1
782 1 25 ILE HG13 1 86 VAL QG 2.400 . 3.100 1.880 1.727 2.386 . 0 0 "[ . 1 .]" 1
783 1 7 THR MG 1 26 GLN H 3.000 . 4.100 4.142 3.853 4.245 0.145 8 0 "[ . 1 .]" 1
784 1 47 PRO QD 1 76 VAL QG 3.100 . 4.300 3.206 2.406 3.630 . 0 0 "[ . 1 .]" 1
785 1 44 LYS H 1 45 GLU H 3.100 . 4.300 4.250 4.145 4.351 0.051 11 0 "[ . 1 .]" 1
786 1 96 GLY H 1 96 GLY HA3 2.600 . 3.500 2.833 2.751 2.896 . 0 0 "[ . 1 .]" 1
787 1 12 GLY H 1 12 GLY HA3 2.700 . 3.600 2.609 2.567 2.641 . 0 0 "[ . 1 .]" 1
788 1 65 LEU H 1 65 LEU HA 2.700 . 3.600 2.821 2.773 2.923 . 0 0 "[ . 1 .]" 1
789 1 43 THR HB 1 44 LYS H 2.800 . 3.800 3.270 2.886 3.847 0.047 2 0 "[ . 1 .]" 1
790 1 103 ARG H 1 103 ARG HB3 2.800 . 3.800 3.092 2.886 3.178 . 0 0 "[ . 1 .]" 1
791 1 11 ASN H 1 11 ASN HA 2.700 . 3.600 2.743 2.724 2.812 . 0 0 "[ . 1 .]" 1
792 1 27 LEU H 1 27 LEU HB3 3.100 . 4.300 3.615 3.547 3.680 . 0 0 "[ . 1 .]" 1
793 1 48 ASN HB3 1 80 ALA MB 2.800 . 3.700 2.878 2.177 3.798 0.098 14 0 "[ . 1 .]" 1
794 1 46 SER HB3 1 54 VAL QG 3.000 . 4.100 2.886 2.110 3.931 . 0 0 "[ . 1 .]" 1
795 1 86 VAL H 1 107 TYR HA 3.000 . 4.100 3.371 3.274 3.632 . 0 0 "[ . 1 .]" 1
796 1 60 PRO HD2 1 60 PRO HG3 2.500 . 3.300 2.996 2.840 3.020 . 0 0 "[ . 1 .]" 1
797 1 51 MET H 1 51 MET HA 2.700 . 3.600 2.888 2.752 2.946 . 0 0 "[ . 1 .]" 1
798 1 31 PRO HD3 1 31 PRO QG 2.500 . 3.300 2.184 2.179 2.187 . 0 0 "[ . 1 .]" 1
799 1 28 PRO HD2 1 28 PRO HG3 2.700 . 3.600 2.728 2.709 2.774 . 0 0 "[ . 1 .]" 1
800 1 84 HIS H 1 84 HIS HB2 2.800 . 3.800 2.674 2.614 2.726 . 0 0 "[ . 1 .]" 1
801 1 14 THR HA 1 107 TYR QD 3.100 . 4.300 3.748 3.438 3.942 . 0 0 "[ . 1 .]" 1
802 1 62 ASP H 1 62 ASP QB 2.900 . 3.900 2.820 2.538 3.042 . 0 0 "[ . 1 .]" 1
803 1 96 GLY H 1 96 GLY HA2 2.200 . 2.800 2.311 2.292 2.345 . 0 0 "[ . 1 .]" 1
804 1 6 VAL H 1 6 VAL MG2 3.000 . 4.100 3.297 3.185 3.730 . 0 0 "[ . 1 .]" 1
805 1 27 LEU HB3 1 27 LEU QD 2.500 . 3.300 2.305 2.072 2.407 . 0 0 "[ . 1 .]" 1
806 1 67 GLY QA 1 68 ALA H 2.700 . 3.600 2.593 2.429 2.826 . 0 0 "[ . 1 .]" 1
807 1 31 PRO HD2 1 31 PRO QG 3.000 . 3.300 2.260 2.251 2.272 . 0 0 "[ . 1 .]" 1
808 1 92 ARG HB3 1 92 ARG HD3 2.600 . 3.400 3.121 2.378 3.692 0.292 3 0 "[ . 1 .]" 1
809 1 82 GLY H 1 82 GLY HA2 2.900 . 3.900 2.898 2.871 2.924 . 0 0 "[ . 1 .]" 1
810 1 39 PHE H 1 39 PHE QD 3.100 . 4.300 3.181 2.945 3.496 . 0 0 "[ . 1 .]" 1
811 1 11 ASN H 1 11 ASN HB3 2.600 . 3.500 2.540 2.413 2.742 . 0 0 "[ . 1 .]" 1
812 1 104 PHE HB3 1 104 PHE QD 2.600 . 3.500 2.393 2.370 2.426 . 0 0 "[ . 1 .]" 1
813 1 93 PRO HA 1 93 PRO HB3 2.600 . 3.400 2.253 2.244 2.264 . 0 0 "[ . 1 .]" 1
814 1 91 MET HA 1 92 ARG H 2.400 . 3.100 2.362 2.272 2.504 . 0 0 "[ . 1 .]" 1
815 1 76 VAL H 1 76 VAL QG 2.700 . 3.600 2.119 1.978 2.516 0.022 11 0 "[ . 1 .]" 1
816 1 72 GLU H 1 72 GLU HB2 2.400 . 3.100 2.568 2.480 2.658 . 0 0 "[ . 1 .]" 1
817 1 6 VAL MG1 1 10 HIS QB 2.300 . 3.000 1.629 1.546 2.634 0.254 9 0 "[ . 1 .]" 1
818 1 91 MET QG 1 101 SER HA 3.000 . 4.200 3.981 3.212 4.151 . 0 0 "[ . 1 .]" 1
819 1 75 HIS H 1 75 HIS HB2 2.600 . 3.400 2.396 2.325 2.535 . 0 0 "[ . 1 .]" 1
820 1 58 TYR H 1 58 TYR QB 3.100 . 4.200 2.924 2.709 3.206 . 0 0 "[ . 1 .]" 1
821 1 8 LYS HA 1 26 GLN HE21 3.400 . 6.000 5.063 4.730 5.404 . 0 0 "[ . 1 .]" 1
822 1 38 TYR QD 1 42 GLY HA3 3.600 . 5.200 4.805 4.310 5.112 . 0 0 "[ . 1 .]" 1
823 1 43 THR MG 1 44 LYS H 3.300 . 4.700 2.982 2.315 3.406 . 0 0 "[ . 1 .]" 1
824 1 74 PHE H 1 74 PHE HB2 2.600 . 3.400 2.419 2.300 2.577 . 0 0 "[ . 1 .]" 1
825 1 15 LEU HA 1 15 LEU HB2 2.900 . 3.900 2.505 2.382 2.982 . 0 0 "[ . 1 .]" 1
826 1 46 SER HA 1 84 HIS HD2 3.500 . 5.000 4.896 4.607 5.098 0.098 6 0 "[ . 1 .]" 1
827 1 39 PHE H 1 39 PHE HB2 2.300 . 3.000 2.145 2.105 2.217 . 0 0 "[ . 1 .]" 1
828 1 23 VAL H 1 23 VAL MG1 3.100 . 4.300 3.554 3.288 3.704 . 0 0 "[ . 1 .]" 1
829 1 36 ALA HA 1 37 TRP H 2.600 . 3.500 2.410 2.324 2.476 . 0 0 "[ . 1 .]" 1
830 1 52 PHE HB3 1 52 PHE QE 3.300 . 4.700 4.380 4.371 4.387 . 0 0 "[ . 1 .]" 1
831 1 89 THR MG 1 103 ARG HB3 3.700 . 5.400 4.089 3.890 4.248 . 0 0 "[ . 1 .]" 1
832 1 17 VAL H 1 17 VAL HA 2.800 . 3.800 2.947 2.937 2.956 . 0 0 "[ . 1 .]" 1
833 1 94 TRP H 1 94 TRP HB2 3.300 . 4.600 3.640 3.600 3.688 . 0 0 "[ . 1 .]" 1
834 1 90 TYR H 1 90 TYR HB2 2.600 . 3.400 2.566 2.455 2.712 . 0 0 "[ . 1 .]" 1
835 1 53 THR H 1 77 THR HB 2.800 . 3.800 3.105 2.842 4.078 0.278 14 0 "[ . 1 .]" 1
836 1 17 VAL QG 1 109 LYS QG 3.300 . 4.600 4.119 3.772 4.258 . 0 0 "[ . 1 .]" 1
837 1 105 THR MG 1 107 TYR QE 2.900 . 3.900 2.593 2.431 2.948 . 0 0 "[ . 1 .]" 1
838 1 74 PHE H 1 74 PHE HB3 3.200 . 4.500 3.622 3.482 3.717 . 0 0 "[ . 1 .]" 1
839 1 64 LYS H 1 64 LYS HB2 3.300 . 4.600 3.695 3.498 3.971 . 0 0 "[ . 1 .]" 1
840 1 109 LYS H 1 109 LYS HA 2.700 . 3.600 2.941 2.933 2.948 . 0 0 "[ . 1 .]" 1
841 1 35 PHE H 1 35 PHE QD 2.800 . 3.800 2.364 1.593 2.854 0.207 10 0 "[ . 1 .]" 1
842 1 73 HIS H 1 73 HIS QB 2.900 . 4.000 2.816 2.517 3.038 . 0 0 "[ . 1 .]" 1
843 1 106 VAL H 1 106 VAL MG2 3.100 . 4.300 3.855 3.621 3.939 . 0 0 "[ . 1 .]" 1
844 1 102 GLU H 1 102 GLU HB3 2.800 . 3.700 2.540 2.357 2.865 . 0 0 "[ . 1 .]" 1
845 1 68 ALA H 1 68 ALA HA 2.900 . 4.000 2.657 2.262 2.909 . 0 0 "[ . 1 .]" 1
846 1 18 ALA HA 1 111 ASN H 3.100 . 4.300 3.717 3.294 4.333 0.033 6 0 "[ . 1 .]" 1
847 1 21 GLU HA 1 21 GLU HG3 3.500 . 5.000 3.480 3.196 3.846 . 0 0 "[ . 1 .]" 1
848 1 25 ILE HG13 1 25 ILE MG 2.700 . 3.600 2.396 2.334 2.453 . 0 0 "[ . 1 .]" 1
849 1 4 HIS H 1 4 HIS QB 2.600 . 3.500 2.654 2.349 3.079 . 0 0 "[ . 1 .]" 1
850 1 111 ASN H 1 111 ASN HA 2.700 . 3.600 2.786 2.735 2.933 . 0 0 "[ . 1 .]" 1
851 1 52 PHE HA 1 52 PHE QD 2.800 . 3.800 2.898 2.660 3.057 . 0 0 "[ . 1 .]" 1
852 1 58 TYR QB 1 59 PHE QD 3.400 . 6.000 5.025 4.743 5.431 . 0 0 "[ . 1 .]" 1
853 1 27 LEU H 1 27 LEU HG 3.300 . 4.700 4.290 3.429 4.594 . 0 0 "[ . 1 .]" 1
854 1 53 THR H 1 53 THR HA 2.800 . 3.800 2.865 2.697 2.900 . 0 0 "[ . 1 .]" 1
855 1 11 ASN H 1 11 ASN HB2 3.000 . 4.100 2.505 2.335 2.613 . 0 0 "[ . 1 .]" 1
856 1 10 HIS H 1 11 ASN H 2.700 . 3.600 2.674 2.618 2.884 . 0 0 "[ . 1 .]" 1
857 1 17 VAL H 1 108 LEU QB 3.200 . 4.500 4.094 3.537 4.384 . 0 0 "[ . 1 .]" 1
858 1 39 PHE HB2 1 40 GLU H 2.800 . 3.800 2.520 2.335 2.699 . 0 0 "[ . 1 .]" 1
859 1 10 HIS H 1 10 HIS QB 3.200 . 3.400 2.367 2.259 2.452 . 0 0 "[ . 1 .]" 1
860 1 27 LEU HB2 1 37 TRP HE1 3.300 . 4.600 4.570 4.400 4.657 0.057 9 0 "[ . 1 .]" 1
861 1 6 VAL MG1 1 7 THR H 2.500 . 3.300 2.408 1.734 3.348 0.048 15 0 "[ . 1 .]" 1
862 1 7 THR H 1 7 THR MG 3.000 . 4.200 3.275 3.013 3.542 . 0 0 "[ . 1 .]" 1
863 1 52 PHE HB2 1 53 THR H 3.600 . 5.200 3.938 3.785 4.719 . 0 0 "[ . 1 .]" 1
864 1 106 VAL MG2 1 107 TYR H 2.900 . 4.000 2.465 2.339 2.912 . 0 0 "[ . 1 .]" 1
865 1 11 ASN HA 1 105 THR H 2.600 . 3.400 2.020 1.880 2.232 . 0 0 "[ . 1 .]" 1
866 1 101 SER H 1 101 SER HB2 3.000 . 4.100 2.945 2.480 3.976 . 0 0 "[ . 1 .]" 1
867 1 48 ASN HB3 1 48 ASN HD22 3.700 . 5.400 3.693 3.473 3.814 . 0 0 "[ . 1 .]" 1
868 1 35 PHE H 1 35 PHE QB 3.200 . 4.500 2.613 2.320 3.385 . 0 0 "[ . 1 .]" 1
869 1 26 GLN HG3 1 27 LEU H 3.300 . 4.600 3.890 3.814 3.980 . 0 0 "[ . 1 .]" 1
870 1 81 ALA MB 1 82 GLY H 3.700 . 5.400 3.519 3.433 3.649 . 0 0 "[ . 1 .]" 1
871 1 88 LEU H 1 105 THR HA 3.300 . 4.700 3.530 3.384 3.693 . 0 0 "[ . 1 .]" 1
872 1 45 GLU H 1 45 GLU HB3 3.000 . 4.100 3.265 3.147 3.396 . 0 0 "[ . 1 .]" 1
873 1 74 PHE H 1 74 PHE QD 3.000 . 4.100 2.775 2.398 3.275 . 0 0 "[ . 1 .]" 1
874 1 103 ARG HB3 1 103 ARG HD3 2.900 . 3.900 2.718 2.599 2.795 . 0 0 "[ . 1 .]" 1
875 1 101 SER HA 1 102 GLU H 2.800 . 3.800 2.269 2.085 2.499 . 0 0 "[ . 1 .]" 1
876 1 45 GLU H 1 45 GLU HG3 3.300 . 4.700 3.437 2.974 4.051 . 0 0 "[ . 1 .]" 1
877 1 90 TYR H 1 103 ARG HA 2.600 . 3.500 2.501 2.314 2.814 . 0 0 "[ . 1 .]" 1
878 1 4 HIS H 1 23 VAL MG2 3.200 . 4.400 2.971 2.471 4.471 0.071 10 0 "[ . 1 .]" 1
879 1 105 THR H 1 105 THR HA 2.800 . 3.700 2.868 2.838 2.889 . 0 0 "[ . 1 .]" 1
880 1 22 LEU QD 1 23 VAL H 3.100 . 4.300 2.097 1.921 2.359 . 0 0 "[ . 1 .]" 1
881 1 78 VAL HA 1 78 VAL MG2 2.900 . 3.900 2.433 2.361 2.470 . 0 0 "[ . 1 .]" 1
882 1 38 TYR QD 1 39 PHE H 3.000 . 4.100 3.612 3.234 4.188 0.088 15 0 "[ . 1 .]" 1
883 1 11 ASN HB2 1 104 PHE QD 2.600 . 3.400 2.505 2.297 3.534 0.134 15 0 "[ . 1 .]" 1
884 1 53 THR H 1 53 THR MG 3.000 . 4.100 2.711 2.425 4.029 . 0 0 "[ . 1 .]" 1
885 1 43 THR H 1 43 THR HA 3.000 . 4.100 2.934 2.919 2.943 . 0 0 "[ . 1 .]" 1
886 1 76 VAL QG 1 78 VAL H 3.000 . 4.200 3.487 3.173 3.704 . 0 0 "[ . 1 .]" 1
887 1 86 VAL QG 1 87 ASN H 3.300 . 4.600 3.156 3.045 3.248 . 0 0 "[ . 1 .]" 1
888 1 33 THR MG 1 34 GLY QA 3.500 . 5.000 3.315 2.988 3.443 . 0 0 "[ . 1 .]" 1
889 1 99 HIS HA 1 99 HIS HB3 3.000 . 4.100 2.728 2.416 3.034 . 0 0 "[ . 1 .]" 1
890 1 10 HIS H 1 10 HIS HA 2.900 . 3.900 2.821 2.740 2.839 . 0 0 "[ . 1 .]" 1
891 1 56 ASN HB2 1 57 LYS H 3.100 . 4.300 2.936 2.587 3.759 . 0 0 "[ . 1 .]" 1
892 1 21 GLU HB2 1 22 LEU H 2.400 . 3.100 1.845 1.731 1.960 . 0 0 "[ . 1 .]" 1
893 1 37 TRP HZ3 1 89 THR HA 3.600 . 5.200 3.858 3.641 4.083 . 0 0 "[ . 1 .]" 1
894 1 88 LEU H 1 88 LEU HG 2.700 . 3.600 2.810 2.761 2.860 . 0 0 "[ . 1 .]" 1
895 1 15 LEU H 1 15 LEU HB2 3.000 . 4.100 3.756 2.692 4.059 . 0 0 "[ . 1 .]" 1
896 1 39 PHE QE 1 88 LEU QD 2.900 . 4.000 2.878 2.629 3.046 . 0 0 "[ . 1 .]" 1
897 1 22 LEU H 1 22 LEU HA 2.800 . 3.800 2.845 2.835 2.880 . 0 0 "[ . 1 .]" 1
898 1 36 ALA MB 1 38 TYR QE 2.800 . 3.800 2.580 2.137 3.345 . 0 0 "[ . 1 .]" 1
899 1 35 PHE QB 1 36 ALA H 3.500 . 4.300 2.800 2.130 3.052 . 0 0 "[ . 1 .]" 1
900 1 26 GLN HE22 1 26 GLN HG3 3.500 . 5.000 4.068 4.052 4.094 . 0 0 "[ . 1 .]" 1
901 1 44 LYS H 1 44 LYS QB 2.900 . 4.000 3.081 2.705 3.278 . 0 0 "[ . 1 .]" 1
902 1 64 LYS H 1 64 LYS QD 3.000 . 4.100 2.520 1.661 3.549 0.239 4 0 "[ . 1 .]" 1
903 1 51 MET H 1 51 MET QG 2.900 . 3.900 2.723 1.878 3.200 0.122 5 0 "[ . 1 .]" 1
904 1 9 ALA MB 1 10 HIS H 3.000 . 4.100 2.670 2.533 2.748 . 0 0 "[ . 1 .]" 1
905 1 11 ASN HB2 1 11 ASN HD21 2.600 . 3.400 2.609 2.172 3.514 0.114 15 0 "[ . 1 .]" 1
906 1 89 THR MG 1 101 SER HB2 3.100 . 4.300 3.032 2.274 3.386 . 0 0 "[ . 1 .]" 1
907 1 27 LEU QD 1 28 PRO HD2 2.600 . 3.400 2.169 2.043 2.388 . 0 0 "[ . 1 .]" 1
908 1 92 ARG H 1 92 ARG HB3 3.400 . 4.800 3.282 3.044 3.532 . 0 0 "[ . 1 .]" 1
909 1 37 TRP HB2 1 37 TRP HE3 3.700 . 5.400 4.100 4.069 4.123 . 0 0 "[ . 1 .]" 1
910 1 27 LEU HB2 1 37 TRP HD1 3.000 . 4.100 3.571 3.347 3.662 . 0 0 "[ . 1 .]" 1
911 1 38 TYR H 1 89 THR H 2.800 . 3.800 3.325 2.995 3.631 . 0 0 "[ . 1 .]" 1
912 1 94 TRP H 1 94 TRP HB3 2.800 . 3.800 2.907 2.772 3.036 . 0 0 "[ . 1 .]" 1
913 1 92 ARG HB3 1 96 GLY H 2.400 . 3.100 2.314 1.697 2.807 0.003 6 0 "[ . 1 .]" 1
914 1 27 LEU QD 1 28 PRO HD3 3.200 . 4.500 2.710 2.501 2.872 . 0 0 "[ . 1 .]" 1
915 1 83 THR MG 1 109 LYS H 3.400 . 4.800 3.939 3.702 4.234 . 0 0 "[ . 1 .]" 1
916 1 7 THR MG 1 28 PRO HG3 3.700 . 5.400 5.473 5.422 5.545 0.145 3 0 "[ . 1 .]" 1
917 1 95 THR H 1 95 THR MG 3.200 . 4.500 2.638 2.517 2.744 . 0 0 "[ . 1 .]" 1
918 1 30 ASN HB2 1 30 ASN HD21 2.700 . 3.600 2.245 2.120 3.458 . 0 0 "[ . 1 .]" 1
919 1 26 GLN HA 1 74 PHE H 2.900 . 3.900 2.585 2.368 2.745 . 0 0 "[ . 1 .]" 1
920 1 36 ALA H 1 91 MET H 2.800 . 3.800 2.699 2.317 2.878 . 0 0 "[ . 1 .]" 1
921 1 109 LYS HB3 1 111 ASN QD 3.700 . 5.400 3.271 2.723 3.921 . 0 0 "[ . 1 .]" 1
922 1 94 TRP H 1 94 TRP HD1 3.300 . 4.700 4.251 4.076 4.367 . 0 0 "[ . 1 .]" 1
923 1 17 VAL HB 1 109 LYS H 3.700 . 5.400 5.434 5.299 5.532 0.132 14 0 "[ . 1 .]" 1
924 1 89 THR MG 1 90 TYR H 3.200 . 4.400 2.769 2.390 2.927 . 0 0 "[ . 1 .]" 1
925 1 8 LYS H 1 8 LYS HB3 3.000 . 4.100 2.679 2.627 2.746 . 0 0 "[ . 1 .]" 1
926 1 16 THR H 1 16 THR HB 3.000 . 4.100 2.492 2.435 2.531 . 0 0 "[ . 1 .]" 1
927 1 7 THR H 1 10 HIS QB 2.700 . 3.600 2.926 1.862 3.461 0.138 12 0 "[ . 1 .]" 1
928 1 7 THR HA 1 8 LYS H 2.800 . 3.800 2.532 2.471 2.599 . 0 0 "[ . 1 .]" 1
929 1 50 SER H 1 50 SER HA 3.000 . 4.200 2.846 2.260 2.945 . 0 0 "[ . 1 .]" 1
930 1 75 HIS H 1 75 HIS HA 2.900 . 3.900 2.948 2.938 2.956 . 0 0 "[ . 1 .]" 1
931 1 60 PRO HB3 1 60 PRO HD2 3.700 . 5.400 3.844 3.785 3.906 . 0 0 "[ . 1 .]" 1
932 1 19 VAL QG 1 110 ALA HA 3.100 . 4.300 2.397 2.267 2.724 . 0 0 "[ . 1 .]" 1
933 1 9 ALA H 1 10 HIS H 3.000 . 4.100 2.736 2.636 2.827 . 0 0 "[ . 1 .]" 1
934 1 83 THR H 1 83 THR HA 2.900 . 3.900 2.937 2.931 2.945 . 0 0 "[ . 1 .]" 1
935 1 27 LEU QD 1 104 PHE QD 3.000 . 3.900 2.434 2.241 2.634 . 0 0 "[ . 1 .]" 1
936 1 32 THR H 1 36 ALA HA 3.600 . 6.000 5.548 5.133 6.109 0.109 2 0 "[ . 1 .]" 1
937 1 7 THR H 1 7 THR HA 2.700 . 3.600 2.921 2.875 2.957 . 0 0 "[ . 1 .]" 1
938 1 14 THR MG 1 107 TYR QD 3.400 . 4.900 3.632 3.313 3.965 . 0 0 "[ . 1 .]" 1
939 1 39 PHE QD 1 40 GLU QG 3.400 . 4.900 3.969 3.086 4.702 . 0 0 "[ . 1 .]" 1
940 1 56 ASN HB2 1 56 ASN HD22 3.600 . 5.200 3.686 3.475 4.077 . 0 0 "[ . 1 .]" 1
941 1 95 THR H 1 95 THR HB 3.400 . 4.800 3.628 3.528 3.699 . 0 0 "[ . 1 .]" 1
942 1 38 TYR H 1 38 TYR HB3 3.400 . 4.900 3.672 3.555 3.737 . 0 0 "[ . 1 .]" 1
943 1 30 ASN H 1 30 ASN HB3 3.500 . 5.000 3.900 3.182 4.002 . 0 0 "[ . 1 .]" 1
944 1 51 MET QG 1 79 LYS QD 3.000 . 4.100 3.700 3.128 3.888 . 0 0 "[ . 1 .]" 1
945 1 61 PRO HB3 1 61 PRO HD3 3.500 . 5.100 3.944 3.308 4.102 . 0 0 "[ . 1 .]" 1
946 1 104 PHE H 1 104 PHE HB2 3.400 . 4.900 3.230 3.123 3.409 . 0 0 "[ . 1 .]" 1
947 1 17 VAL QG 1 18 ALA H 3.800 . 5.300 3.116 2.980 3.295 . 0 0 "[ . 1 .]" 1
948 1 107 TYR H 1 107 TYR HB2 2.700 . 3.600 2.479 2.416 2.598 . 0 0 "[ . 1 .]" 1
949 1 37 TRP HA 1 91 MET H 3.700 . 5.400 3.768 3.576 3.990 . 0 0 "[ . 1 .]" 1
950 1 82 GLY HA3 1 83 THR H 3.200 . 4.500 2.749 2.702 2.781 . 0 0 "[ . 1 .]" 1
951 1 30 ASN HB2 1 31 PRO QG 3.700 . 6.000 5.742 5.644 5.777 . 0 0 "[ . 1 .]" 1
952 1 58 TYR H 1 59 PHE QD 3.300 . 4.700 4.617 3.896 4.842 0.142 12 0 "[ . 1 .]" 1
953 1 38 TYR QD 1 93 PRO HA 3.400 . 4.900 4.061 3.654 4.681 . 0 0 "[ . 1 .]" 1
954 1 11 ASN HA 1 104 PHE QD 2.800 . 3.800 1.960 1.774 2.350 0.026 1 0 "[ . 1 .]" 1
955 1 39 PHE QD 1 44 LYS QB 3.000 . 3.800 1.862 1.794 1.936 0.106 1 0 "[ . 1 .]" 1
956 1 8 LYS HG3 1 27 LEU QD 3.900 . 5.800 4.226 3.983 4.441 . 0 0 "[ . 1 .]" 1
957 1 36 ALA HA 1 38 TYR QE 4.000 . 6.000 5.377 4.953 5.732 . 0 0 "[ . 1 .]" 1
958 1 19 VAL QG 1 80 ALA H 3.400 . 4.800 2.512 1.899 3.791 0.101 8 0 "[ . 1 .]" 1
959 1 79 LYS QB 1 80 ALA H 3.500 . 5.000 3.562 3.517 3.594 . 0 0 "[ . 1 .]" 1
960 1 41 GLY H 1 42 GLY H 3.200 . 4.400 3.278 2.938 3.587 . 0 0 "[ . 1 .]" 1
961 1 103 ARG HG3 1 104 PHE H 3.000 . 4.100 2.927 2.728 3.226 . 0 0 "[ . 1 .]" 1
962 1 22 LEU H 1 22 LEU HG 3.300 . 4.700 4.500 4.387 4.735 0.035 3 0 "[ . 1 .]" 1
963 1 19 VAL H 1 19 VAL HA 3.000 . 4.100 2.938 2.901 2.953 . 0 0 "[ . 1 .]" 1
964 1 37 TRP HZ3 1 90 TYR H 3.200 . 4.500 3.704 3.473 4.058 . 0 0 "[ . 1 .]" 1
965 1 91 MET H 1 91 MET HA 2.900 . 4.000 2.961 2.948 2.969 . 0 0 "[ . 1 .]" 1
966 1 15 LEU QD 1 16 THR H 3.500 . 5.000 3.104 2.127 3.938 . 0 0 "[ . 1 .]" 1
967 1 27 LEU HB2 1 28 PRO HD2 3.600 . 5.200 4.032 3.958 4.116 . 0 0 "[ . 1 .]" 1
968 1 35 PHE H 1 35 PHE HA 2.800 . 3.800 2.716 2.284 2.837 . 0 0 "[ . 1 .]" 1
969 1 39 PHE QE 1 76 VAL QG 3.100 . 4.300 3.740 3.335 4.199 . 0 0 "[ . 1 .]" 1
970 1 64 LYS QD 1 66 LEU H 3.600 . 5.300 4.172 3.378 4.517 . 0 0 "[ . 1 .]" 1
971 1 6 VAL MG2 1 7 THR H 3.000 . 4.100 3.272 2.901 3.521 . 0 0 "[ . 1 .]" 1
972 1 27 LEU H 1 71 THR MG 3.600 . 5.200 5.110 4.353 5.321 0.121 11 0 "[ . 1 .]" 1
973 1 37 TRP H 1 37 TRP HB2 2.700 . 3.600 2.545 2.491 2.594 . 0 0 "[ . 1 .]" 1
974 1 25 ILE MG 1 26 GLN H 2.900 . 3.900 3.137 2.549 3.265 . 0 0 "[ . 1 .]" 1
975 1 7 THR MG 1 8 LYS H 3.500 . 5.100 3.202 3.044 3.421 . 0 0 "[ . 1 .]" 1
976 1 104 PHE QD 1 106 VAL H 3.100 . 4.300 3.821 3.582 3.980 . 0 0 "[ . 1 .]" 1
977 1 92 ARG HD3 1 92 ARG HE 3.000 . 4.100 2.772 2.608 2.954 . 0 0 "[ . 1 .]" 1
978 1 38 TYR HB3 1 43 THR H 3.300 . 4.700 3.755 2.899 5.059 0.359 2 0 "[ . 1 .]" 1
979 1 104 PHE QE 1 106 VAL MG1 3.000 . 4.100 2.422 2.012 3.566 . 0 0 "[ . 1 .]" 1
980 1 64 LYS H 1 64 LYS HB3 3.000 . 4.100 2.968 2.324 3.433 . 0 0 "[ . 1 .]" 1
981 1 71 THR H 1 71 THR MG 3.600 . 5.300 3.709 3.499 4.115 . 0 0 "[ . 1 .]" 1
982 1 39 PHE HB3 1 40 GLU H 2.700 . 3.600 2.137 1.930 2.404 . 0 0 "[ . 1 .]" 1
983 1 6 VAL MG2 1 25 ILE HA 3.700 . 5.500 3.644 3.442 4.189 . 0 0 "[ . 1 .]" 1
984 1 84 HIS HB3 1 84 HIS HD2 3.400 . 4.800 3.680 3.365 3.825 . 0 0 "[ . 1 .]" 1
985 1 28 PRO QB 1 29 SER H 3.500 . 5.100 3.806 3.776 3.865 . 0 0 "[ . 1 .]" 1
986 1 63 SER H 1 63 SER HA 3.000 . 4.200 2.674 2.224 2.932 . 0 0 "[ . 1 .]" 1
987 1 91 MET HB3 1 92 ARG H 2.800 . 3.800 2.519 2.323 2.704 . 0 0 "[ . 1 .]" 1
988 1 92 ARG H 1 92 ARG HG2 3.800 . 5.600 4.302 3.737 4.556 . 0 0 "[ . 1 .]" 1
989 1 90 TYR HA 1 90 TYR HB2 2.800 . 3.800 2.549 2.520 2.603 . 0 0 "[ . 1 .]" 1
990 1 84 HIS HB2 1 85 ALA H 3.600 . 5.200 4.596 4.569 4.634 . 0 0 "[ . 1 .]" 1
991 1 18 ALA HA 1 19 VAL QG 3.900 . 5.800 3.281 3.119 3.386 . 0 0 "[ . 1 .]" 1
992 1 28 PRO HA 1 71 THR MG 3.200 . 4.500 3.058 2.714 3.281 . 0 0 "[ . 1 .]" 1
993 1 106 VAL HA 1 106 VAL MG2 2.900 . 3.900 2.290 2.118 2.389 . 0 0 "[ . 1 .]" 1
994 1 30 ASN HD22 1 37 TRP HE1 3.100 . 4.300 2.791 2.134 3.240 . 0 0 "[ . 1 .]" 1
995 1 35 PHE HA 1 35 PHE QD 2.800 . 3.800 2.519 1.824 3.219 . 0 0 "[ . 1 .]" 1
996 1 14 THR H 1 14 THR HA 3.000 . 4.100 2.918 2.903 2.942 . 0 0 "[ . 1 .]" 1
997 1 84 HIS HB3 1 85 ALA H 3.600 . 5.200 4.285 4.246 4.329 . 0 0 "[ . 1 .]" 1
998 1 39 PHE HZ 1 86 VAL QG . . 3.400 2.217 2.125 2.460 . 0 0 "[ . 1 .]" 1
999 1 22 LEU QD 1 52 PHE QD 3.700 . 5.400 5.335 5.249 5.379 . 0 0 "[ . 1 .]" 1
1000 1 37 TRP H 1 37 TRP HD1 2.800 . 3.800 2.836 2.728 2.957 . 0 0 "[ . 1 .]" 1
1001 1 65 LEU HA 1 65 LEU MD1 3.400 . 4.800 2.910 1.941 3.903 0.059 2 0 "[ . 1 .]" 1
1002 1 105 THR MG 1 107 TYR QD 3.400 . 4.800 3.237 3.116 3.477 . 0 0 "[ . 1 .]" 1
1003 1 17 VAL QG 1 108 LEU HA 3.500 . 5.000 3.275 3.054 3.469 . 0 0 "[ . 1 .]" 1
1004 1 87 ASN QB 1 87 ASN HD22 3.100 . 4.300 3.457 3.341 3.497 . 0 0 "[ . 1 .]" 1
1005 1 100 ASP H 1 101 SER H 3.100 . 4.300 2.106 1.883 3.254 0.017 15 0 "[ . 1 .]" 1
1006 1 15 LEU H 1 108 LEU HA 3.000 . 4.200 2.559 2.419 2.700 . 0 0 "[ . 1 .]" 1
1007 1 6 VAL MG1 1 25 ILE MG 3.000 . 4.100 2.037 1.821 2.184 0.079 15 0 "[ . 1 .]" 1
1008 1 30 ASN HB3 1 30 ASN HD21 3.100 . 4.300 3.318 2.268 3.427 . 0 0 "[ . 1 .]" 1
1009 1 30 ASN HD21 1 37 TRP HE1 3.000 . 6.000 2.100 1.742 3.044 . 0 0 "[ . 1 .]" 1
1010 1 37 TRP HB3 1 37 TRP HD1 3.700 . 5.400 3.805 3.775 3.831 . 0 0 "[ . 1 .]" 1
1011 1 63 SER H 1 63 SER HB3 3.200 . 4.500 3.590 2.955 4.101 . 0 0 "[ . 1 .]" 1
1012 1 90 TYR HB3 1 102 GLU H 2.800 . 3.800 2.296 2.142 2.531 . 0 0 "[ . 1 .]" 1
1013 1 39 PHE QE 1 86 VAL HA 3.200 . 4.500 2.626 2.313 3.132 . 0 0 "[ . 1 .]" 1
1014 1 30 ASN H 1 30 ASN HA 3.000 . 4.100 2.284 2.272 2.294 . 0 0 "[ . 1 .]" 1
1015 1 76 VAL QG 1 84 HIS HD2 3.200 . 4.500 2.597 2.327 2.887 . 0 0 "[ . 1 .]" 1
1016 1 88 LEU HG 1 104 PHE H 3.600 . 5.200 5.173 5.062 5.247 0.047 8 0 "[ . 1 .]" 1
1017 1 56 ASN HB3 1 56 ASN HD22 3.800 . 5.600 3.811 3.489 4.083 . 0 0 "[ . 1 .]" 1
1018 1 49 GLU HA 1 52 PHE H 3.600 . 5.200 3.475 2.939 4.312 . 0 0 "[ . 1 .]" 1
1019 1 23 VAL MG1 1 24 GLU H 3.300 . 4.700 3.080 2.846 3.282 . 0 0 "[ . 1 .]" 1
1020 1 55 GLU H 1 75 HIS H 3.100 . 4.300 3.528 3.124 3.914 . 0 0 "[ . 1 .]" 1
1021 1 51 MET HA 1 52 PHE H 3.500 . 5.000 3.451 3.387 3.503 . 0 0 "[ . 1 .]" 1
1022 1 21 GLU H 1 21 GLU HB2 3.100 . 4.300 2.575 2.411 2.701 . 0 0 "[ . 1 .]" 1
1023 1 57 LYS H 1 57 LYS HG3 3.300 . 4.700 3.357 2.158 4.931 0.231 10 0 "[ . 1 .]" 1
1024 1 46 SER H 1 54 VAL HB 3.500 . 5.000 4.272 3.415 5.142 0.142 14 0 "[ . 1 .]" 1
1025 1 5 LYS HB3 1 6 VAL H 4.000 . 6.000 4.093 3.893 4.270 . 0 0 "[ . 1 .]" 1
1026 1 71 THR HB 1 72 GLU H 3.600 . 5.200 4.095 3.999 4.425 . 0 0 "[ . 1 .]" 1
1027 1 23 VAL H 1 76 VAL H 3.200 . 4.500 4.086 3.787 4.263 . 0 0 "[ . 1 .]" 1
1028 1 57 LYS H 1 73 HIS H 3.100 . 4.300 3.531 3.200 3.935 . 0 0 "[ . 1 .]" 1
1029 1 85 ALA HA 1 107 TYR QE 3.800 . 5.600 4.394 3.905 4.756 . 0 0 "[ . 1 .]" 1
1030 1 49 GLU H 1 49 GLU HG3 3.600 . 5.200 3.451 2.905 4.690 . 0 0 "[ . 1 .]" 1
1031 1 56 ASN HA 1 56 ASN HD22 4.000 . 6.000 5.130 4.615 5.370 . 0 0 "[ . 1 .]" 1
1032 1 49 GLU QB 1 50 SER H 3.600 . 5.200 3.526 1.680 4.059 0.320 15 0 "[ . 1 .]" 1
1033 1 66 LEU H 1 67 GLY H 3.100 . 4.300 3.149 2.135 4.538 0.238 11 0 "[ . 1 .]" 1
1034 1 87 ASN HD22 1 105 THR MG 3.400 . 4.800 2.232 1.967 4.712 0.033 1 0 "[ . 1 .]" 1
1035 1 16 THR HA 1 17 VAL QG 3.900 . 4.700 3.030 2.940 3.141 . 0 0 "[ . 1 .]" 1
1036 1 46 SER H 1 53 THR HA 3.400 . 6.000 5.024 4.024 6.227 0.227 14 0 "[ . 1 .]" 1
1037 1 6 VAL H 1 25 ILE HA 2.800 . 3.800 2.341 2.165 2.655 . 0 0 "[ . 1 .]" 1
1038 1 49 GLU HA 1 49 GLU HG3 3.600 . 5.200 3.755 2.877 4.266 . 0 0 "[ . 1 .]" 1
1039 1 30 ASN H 1 30 ASN HB2 3.700 . 5.400 3.825 3.783 4.014 . 0 0 "[ . 1 .]" 1
1040 1 40 GLU QG 1 41 GLY H 3.800 . 5.600 3.812 2.846 4.479 . 0 0 "[ . 1 .]" 1
1041 1 73 HIS HA 1 74 PHE QD 3.000 . 4.100 3.176 2.784 3.500 . 0 0 "[ . 1 .]" 1
1042 1 26 GLN H 1 26 GLN HA 3.000 . 4.100 2.933 2.905 2.942 . 0 0 "[ . 1 .]" 1
1043 1 111 ASN H 1 111 ASN HB3 3.500 . 5.000 3.650 3.501 3.945 . 0 0 "[ . 1 .]" 1
1044 1 40 GLU H 1 40 GLU QG 3.300 . 4.700 2.442 2.006 2.748 . 0 0 "[ . 1 .]" 1
1045 1 62 ASP H 1 63 SER H 3.400 . 4.800 3.008 1.947 4.296 0.053 15 0 "[ . 1 .]" 1
1046 1 52 PHE HB3 1 53 THR H 3.100 . 4.300 2.606 2.397 4.166 . 0 0 "[ . 1 .]" 1
1047 1 92 ARG HE 1 92 ARG HG2 3.100 . 4.300 3.135 2.425 3.823 . 0 0 "[ . 1 .]" 1
1048 1 63 SER H 1 63 SER HB2 3.200 . 4.500 3.494 2.872 4.034 . 0 0 "[ . 1 .]" 1
1049 1 27 LEU H 1 73 HIS HA 2.700 . 3.600 2.427 2.079 2.805 . 0 0 "[ . 1 .]" 1
1050 1 95 THR HA 1 95 THR MG 3.800 . 5.600 3.217 3.200 3.230 . 0 0 "[ . 1 .]" 1
1051 1 9 ALA HA 1 10 HIS H 3.300 . 4.600 3.485 3.460 3.499 . 0 0 "[ . 1 .]" 1
1052 1 19 VAL HB 1 21 GLU H 3.900 . 5.800 4.738 4.303 5.010 . 0 0 "[ . 1 .]" 1
1053 1 29 SER QB 1 37 TRP HE1 3.900 . 5.800 4.290 4.051 4.403 . 0 0 "[ . 1 .]" 1
1054 1 34 GLY QA 1 92 ARG HG3 2.900 . 4.000 2.542 2.007 3.631 . 0 0 "[ . 1 .]" 1
1055 1 28 PRO HD2 1 30 ASN HD22 2.800 . 3.800 2.588 2.309 2.976 . 0 0 "[ . 1 .]" 1
1056 1 49 GLU HA 1 50 SER H 3.200 . 4.500 2.420 2.040 3.016 . 0 0 "[ . 1 .]" 1
1057 1 19 VAL HA 1 21 GLU H 3.400 . 4.800 3.716 3.282 4.023 . 0 0 "[ . 1 .]" 1
1058 1 10 HIS HA 1 11 ASN H 3.300 . 4.700 3.319 3.301 3.359 . 0 0 "[ . 1 .]" 1
1059 1 25 ILE HB 1 74 PHE H 3.200 . 4.500 3.428 3.116 3.611 . 0 0 "[ . 1 .]" 1
1060 1 56 ASN HD22 1 58 TYR QE 3.800 . 5.600 3.975 3.074 5.313 . 0 0 "[ . 1 .]" 1
1061 1 97 PRO QB 1 98 SER H 3.800 . 5.600 3.460 3.239 3.888 . 0 0 "[ . 1 .]" 1
1062 1 30 ASN H 1 31 PRO HD2 3.100 . 4.300 3.773 3.499 4.223 . 0 0 "[ . 1 .]" 1
1063 1 37 TRP HE3 1 89 THR H 3.500 . 5.000 4.115 3.954 4.259 . 0 0 "[ . 1 .]" 1
1064 1 39 PHE QD 1 40 GLU H 4.000 . 6.000 4.109 3.921 4.265 . 0 0 "[ . 1 .]" 1
1065 1 8 LYS HB3 1 27 LEU QD 4.400 . 6.000 4.290 4.190 4.435 . 0 0 "[ . 1 .]" 1
1066 1 8 LYS H 1 8 LYS HA 3.000 . 4.100 2.694 2.651 2.750 . 0 0 "[ . 1 .]" 1
1067 1 51 MET ME 1 52 PHE H 3.700 . 5.400 3.667 2.807 4.153 . 0 0 "[ . 1 .]" 1
1068 1 42 GLY HA2 1 43 THR H 3.500 . 5.000 3.261 2.981 3.448 . 0 0 "[ . 1 .]" 1
1069 1 62 ASP QB 1 63 SER H 2.700 . 6.000 2.155 1.666 2.891 . 0 0 "[ . 1 .]" 1
1070 1 68 ALA H 1 69 GLY H 3.400 . 4.800 3.107 2.101 4.186 . 0 0 "[ . 1 .]" 1
1071 1 98 SER H 1 98 SER HB2 3.500 . 5.000 2.674 2.317 3.582 . 0 0 "[ . 1 .]" 1
1072 1 43 THR MG 1 45 GLU H 3.800 . 5.600 5.408 4.380 5.792 0.192 7 0 "[ . 1 .]" 1
1073 1 38 TYR QD 1 90 TYR HA 3.700 . 5.400 4.622 4.183 4.995 . 0 0 "[ . 1 .]" 1
1074 1 89 THR HA 1 104 PHE H 3.800 . 5.600 3.414 3.289 3.597 . 0 0 "[ . 1 .]" 1
1075 1 65 LEU H 1 66 LEU H 3.100 . 4.300 2.943 2.638 4.142 . 0 0 "[ . 1 .]" 1
1076 1 11 ASN HB2 1 104 PHE QE 3.800 . 5.600 4.254 3.841 5.473 . 0 0 "[ . 1 .]" 1
1077 1 8 LYS QD 1 28 PRO HD2 2.800 . 3.800 2.423 2.200 2.682 . 0 0 "[ . 1 .]" 1
1078 1 27 LEU QD 1 88 LEU HB2 4.100 . 6.000 2.951 2.328 3.250 . 0 0 "[ . 1 .]" 1
1079 1 4 HIS QB 1 17 VAL QG 3.800 . 5.600 2.577 2.285 2.815 . 0 0 "[ . 1 .]" 1
1080 1 87 ASN HA 1 105 THR MG 3.700 . 5.400 3.469 3.261 3.760 . 0 0 "[ . 1 .]" 1
1081 1 10 HIS QB 1 106 VAL HB 3.400 . 4.800 2.186 1.894 3.318 0.106 11 0 "[ . 1 .]" 1
1082 1 56 ASN HD22 1 57 LYS H 4.500 . 6.000 5.699 4.718 6.257 0.257 15 0 "[ . 1 .]" 1
1083 1 41 GLY H 1 43 THR H 3.200 . 4.500 2.804 2.472 3.108 . 0 0 "[ . 1 .]" 1
1084 1 6 VAL MG1 1 104 PHE QE 3.300 . 4.600 2.160 2.038 2.308 . 0 0 "[ . 1 .]" 1
1085 1 6 VAL HB 1 25 ILE MG 3.700 . 5.400 2.405 2.150 3.366 . 0 0 "[ . 1 .]" 1
1086 1 11 ASN HD22 1 102 GLU QG 3.400 . 4.900 3.965 3.180 4.696 . 0 0 "[ . 1 .]" 1
1087 1 17 VAL QG 1 109 LYS H 3.400 . 4.300 2.503 2.346 2.632 . 0 0 "[ . 1 .]" 1
1088 1 20 GLY HA2 1 21 GLU H 3.700 . 5.400 3.546 3.492 3.564 . 0 0 "[ . 1 .]" 1
1089 1 27 LEU QD 1 37 TRP HB2 3.900 . 5.800 3.735 3.209 4.008 . 0 0 "[ . 1 .]" 1
1090 1 4 HIS QB 1 24 GLU H 3.500 . 5.100 3.856 3.585 4.261 . 0 0 "[ . 1 .]" 1
1091 1 87 ASN HD21 1 105 THR MG 3.700 . 5.400 2.624 2.018 3.236 . 0 0 "[ . 1 .]" 1
1092 1 85 ALA HA 1 106 VAL MG1 3.600 . 5.200 4.267 3.916 4.570 . 0 0 "[ . 1 .]" 1
1093 1 8 LYS HA 1 9 ALA H 3.600 . 5.200 3.592 3.568 3.607 . 0 0 "[ . 1 .]" 1
1094 1 52 PHE QE 1 77 THR MG 3.500 . 5.000 2.335 1.832 2.630 0.168 14 0 "[ . 1 .]" 1
1095 1 93 PRO HA 1 94 TRP H 3.600 . 5.200 3.541 3.501 3.577 . 0 0 "[ . 1 .]" 1
1096 1 29 SER HA 1 90 TYR QD 4.100 . 6.000 4.350 3.582 5.479 . 0 0 "[ . 1 .]" 1
1097 1 88 LEU QD 1 104 PHE HB2 4.300 . 6.000 4.299 4.145 4.464 . 0 0 "[ . 1 .]" 1
1098 1 53 THR H 1 54 VAL QG 3.800 . 5.600 5.018 2.960 5.300 . 0 0 "[ . 1 .]" 1
1099 1 54 VAL H 1 54 VAL QG 3.600 . 6.000 2.023 1.815 2.703 . 0 0 "[ . 1 .]" 1
1100 1 4 HIS HE1 1 17 VAL QG 4.300 . 6.000 3.313 3.157 3.456 . 0 0 "[ . 1 .]" 1
1101 1 4 HIS H 1 4 HIS HD2 4.000 . 6.000 5.040 4.692 6.003 0.003 10 0 "[ . 1 .]" 1
1102 1 87 ASN H 1 87 ASN HD22 3.100 . 4.300 3.972 2.906 4.246 . 0 0 "[ . 1 .]" 1
1103 1 56 ASN HA 1 75 HIS H 3.500 . 5.100 2.914 2.392 3.221 . 0 0 "[ . 1 .]" 1
1104 1 89 THR MG 1 103 ARG HA 4.100 . 6.000 3.581 3.374 3.783 . 0 0 "[ . 1 .]" 1
1105 1 56 ASN H 1 56 ASN HD22 3.900 . 5.800 4.062 3.199 4.857 . 0 0 "[ . 1 .]" 1
1106 1 87 ASN HD21 1 105 THR HB 4.600 . 6.000 5.194 4.087 6.104 0.104 6 0 "[ . 1 .]" 1
1107 1 6 VAL HB 1 7 THR H 3.900 . 5.800 4.229 3.887 4.523 . 0 0 "[ . 1 .]" 1
1108 1 6 VAL H 1 6 VAL MG1 3.800 . 5.600 3.561 3.026 3.656 . 0 0 "[ . 1 .]" 1
1109 1 8 LYS H 1 27 LEU QD 3.800 . 5.600 3.543 3.388 3.802 . 0 0 "[ . 1 .]" 1
1110 1 39 PHE HZ 1 87 ASN H 4.300 . 6.000 4.435 3.430 4.948 . 0 0 "[ . 1 .]" 1
1111 1 12 GLY H 1 105 THR H 4.200 . 6.000 4.816 4.628 5.127 . 0 0 "[ . 1 .]" 1
1112 1 10 HIS H 1 104 PHE QE 3.700 . 5.400 3.863 3.477 5.486 0.086 15 0 "[ . 1 .]" 1
1113 1 39 PHE HB2 1 88 LEU QD 3.900 . 5.800 3.484 3.324 3.609 . 0 0 "[ . 1 .]" 1
1114 1 22 LEU HB3 1 23 VAL H 4.300 . 6.000 4.148 3.794 4.363 . 0 0 "[ . 1 .]" 1
1115 1 11 ASN HB3 1 12 GLY H 3.600 . 5.200 3.101 3.043 3.200 . 0 0 "[ . 1 .]" 1
1116 1 4 HIS QB 1 5 LYS HB3 3.900 . 5.800 5.516 5.412 5.790 . 0 0 "[ . 1 .]" 1
1117 1 21 GLU HB3 1 22 LEU H 4.500 . 6.000 3.062 2.793 3.278 . 0 0 "[ . 1 .]" 1
1118 1 4 HIS HD2 1 23 VAL MG2 4.000 . 6.000 2.595 1.987 3.408 0.013 3 0 "[ . 1 .]" 1
1119 1 48 ASN HD21 1 84 HIS HB2 3.300 . 6.000 5.760 3.965 6.348 0.348 15 0 "[ . 1 .]" 1
1120 1 29 SER QB 1 72 GLU H 4.100 . 4.100 3.296 2.944 3.834 . 0 0 "[ . 1 .]" 1
1121 1 84 HIS HE1 1 86 VAL QG 3.500 . 5.000 2.135 1.938 2.894 0.062 15 0 "[ . 1 .]" 1
1122 1 55 GLU H 1 55 GLU HG3 3.900 . 5.800 3.202 2.035 4.646 . 0 0 "[ . 1 .]" 1
1123 1 36 ALA HA 1 38 TYR QD 4.300 . 6.000 5.398 4.958 6.032 0.032 12 0 "[ . 1 .]" 1
1124 1 110 ALA H 1 111 ASN H 4.200 . 6.000 4.420 4.259 4.546 . 0 0 "[ . 1 .]" 1
1125 1 28 PRO HA 1 72 GLU H 4.000 . 6.000 3.385 3.239 3.521 . 0 0 "[ . 1 .]" 1
1126 1 11 ASN HD22 1 104 PHE HA 4.100 . 6.000 2.170 2.001 2.326 . 0 0 "[ . 1 .]" 1
1127 1 64 LYS HG3 1 65 LEU H 4.200 . 6.000 3.712 2.759 5.353 . 0 0 "[ . 1 .]" 1
1128 1 94 TRP HA 1 94 TRP HD1 4.400 . 6.000 4.530 4.470 4.567 . 0 0 "[ . 1 .]" 1
1129 1 13 ALA H 1 106 VAL MG1 4.500 . 6.000 5.073 4.966 5.142 . 0 0 "[ . 1 .]" 1
1130 1 37 TRP HZ3 1 104 PHE HB3 3.400 . 4.900 2.305 2.059 2.448 . 0 0 "[ . 1 .]" 1
1131 1 35 PHE QD 1 92 ARG HB2 3.300 . 4.700 3.079 2.049 4.690 . 0 0 "[ . 1 .]" 1
1132 1 37 TRP HH2 1 90 TYR HB2 3.600 . 5.200 3.846 3.560 4.084 . 0 0 "[ . 1 .]" 1
1133 1 23 VAL MG1 1 76 VAL H 3.700 . 5.400 3.604 3.087 4.128 . 0 0 "[ . 1 .]" 1
1134 1 9 ALA HA 1 11 ASN H 3.600 . 5.300 3.445 3.363 3.521 . 0 0 "[ . 1 .]" 1
1135 1 10 HIS QB 1 106 VAL MG1 4.500 . 6.000 3.307 3.054 3.838 . 0 0 "[ . 1 .]" 1
1136 1 104 PHE H 1 105 THR H 4.000 . 6.000 4.532 4.510 4.552 . 0 0 "[ . 1 .]" 1
1137 1 35 PHE QD 1 92 ARG HG2 4.700 . 6.000 4.089 3.322 5.148 . 0 0 "[ . 1 .]" 1
1138 1 94 TRP H 1 94 TRP HZ2 3.900 . 5.800 5.352 5.271 5.403 . 0 0 "[ . 1 .]" 1
1139 1 107 TYR HA 1 107 TYR QE 4.500 . 6.000 4.576 4.453 4.658 . 0 0 "[ . 1 .]" 1
1140 1 33 THR MG 1 35 PHE H 3.500 . 6.000 2.425 1.647 4.418 . 0 0 "[ . 1 .]" 1
1141 1 27 LEU HB3 1 37 TRP HD1 3.500 . 5.000 3.026 2.907 3.163 . 0 0 "[ . 1 .]" 1
1142 1 26 GLN HE22 1 28 PRO HG3 4.200 . 6.000 4.518 4.099 4.903 . 0 0 "[ . 1 .]" 1
1143 1 72 GLU H 1 73 HIS H 4.200 . 6.000 4.241 4.155 4.364 . 0 0 "[ . 1 .]" 1
1144 1 19 VAL QG 1 111 ASN H 3.700 . 5.400 1.882 1.809 1.980 0.191 13 0 "[ . 1 .]" 1
1145 1 39 PHE QD 1 88 LEU HG 4.100 . 6.000 4.545 4.087 4.819 . 0 0 "[ . 1 .]" 1
1146 1 12 GLY H 1 104 PHE QE 4.200 . 6.000 4.814 4.641 6.138 0.138 15 0 "[ . 1 .]" 1
1147 1 37 TRP HZ3 1 88 LEU QD 4.500 . 6.000 4.816 4.610 4.971 . 0 0 "[ . 1 .]" 1
1148 1 27 LEU H 1 27 LEU QD 4.400 . 5.200 2.907 2.599 3.568 . 0 0 "[ . 1 .]" 1
1149 1 25 ILE H 1 75 HIS HA 3.500 . 5.000 2.878 2.359 3.262 . 0 0 "[ . 1 .]" 1
1150 1 100 ASP H 1 100 ASP HB3 3.600 . 5.300 2.757 2.474 3.499 . 0 0 "[ . 1 .]" 1
1151 1 21 GLU H 1 77 THR MG 2.300 . 6.000 5.561 5.217 6.007 0.007 14 0 "[ . 1 .]" 1
1152 1 63 SER H 1 64 LYS H 3.300 . 4.700 2.431 1.773 3.545 0.127 1 0 "[ . 1 .]" 1
1153 1 29 SER H 1 72 GLU H 3.700 . 5.400 3.117 2.952 3.283 . 0 0 "[ . 1 .]" 1
1154 1 16 THR MG 1 110 ALA HA 4.200 . 6.000 4.907 4.584 5.182 . 0 0 "[ . 1 .]" 1
1155 1 37 TRP HE1 1 90 TYR QE 3.800 . 5.600 3.606 3.375 3.974 . 0 0 "[ . 1 .]" 1
1156 1 12 GLY H 1 105 THR MG 4.300 . 6.000 6.086 6.019 6.176 0.176 14 0 "[ . 1 .]" 1
1157 1 103 ARG HE 1 103 ARG HG3 3.600 . 5.200 2.328 2.237 2.395 . 0 0 "[ . 1 .]" 1
1158 1 51 MET H 1 52 PHE HB2 4.600 . 6.000 4.055 3.700 4.410 . 0 0 "[ . 1 .]" 1
1159 1 88 LEU HB3 1 90 TYR H 4.200 . 6.000 5.628 5.447 6.024 0.024 12 0 "[ . 1 .]" 1
1160 1 15 LEU H 1 106 VAL MG1 4.000 . 6.000 5.780 4.703 6.061 0.061 8 0 "[ . 1 .]" 1
1161 1 12 GLY H 1 13 ALA MB 4.200 . 6.000 3.503 3.439 3.597 . 0 0 "[ . 1 .]" 1
1162 1 37 TRP HE3 1 104 PHE H 4.000 . 6.000 3.342 3.280 3.459 . 0 0 "[ . 1 .]" 1
1163 1 16 THR H 1 17 VAL QG 4.500 . 6.000 4.210 4.011 4.394 . 0 0 "[ . 1 .]" 1
1164 1 61 PRO HB2 1 63 SER H 4.400 . 6.000 5.345 3.404 6.257 0.257 8 0 "[ . 1 .]" 1
1165 1 24 GLU HA 1 76 VAL H 3.700 . 5.400 2.585 2.003 3.165 . 0 0 "[ . 1 .]" 1
1166 1 48 ASN HB3 1 49 GLU H 4.300 . 6.000 4.274 2.843 4.580 . 0 0 "[ . 1 .]" 1
1167 1 26 GLN HE21 1 27 LEU QD 5.300 . 6.000 3.692 3.415 4.050 . 0 0 "[ . 1 .]" 1
1168 1 35 PHE QE 1 92 ARG HG3 4.000 . 6.000 3.545 2.650 4.727 . 0 0 "[ . 1 .]" 1
1169 1 22 LEU QD 1 75 HIS HE1 4.300 . 6.000 3.329 2.796 4.036 . 0 0 "[ . 1 .]" 1
1170 1 37 TRP HE3 1 90 TYR H 3.800 . 5.600 3.733 3.401 4.159 . 0 0 "[ . 1 .]" 1
1171 1 57 LYS QD 1 75 HIS HE1 4.300 . 6.000 3.681 2.993 4.339 . 0 0 "[ . 1 .]" 1
1172 1 24 GLU H 1 25 ILE H 4.400 . 6.000 4.468 4.433 4.482 . 0 0 "[ . 1 .]" 1
1173 1 84 HIS H 1 84 HIS HB3 3.500 . 5.100 2.743 2.673 2.817 . 0 0 "[ . 1 .]" 1
1174 1 8 LYS HB3 1 9 ALA H 3.500 . 5.000 2.656 2.542 2.784 . 0 0 "[ . 1 .]" 1
1175 1 100 ASP HA 1 101 SER H 4.300 . 6.000 3.293 3.165 3.421 . 0 0 "[ . 1 .]" 1
1176 1 61 PRO HB2 1 62 ASP H 3.700 . 5.400 2.884 1.776 4.235 0.224 5 0 "[ . 1 .]" 1
1177 1 85 ALA HA 1 86 VAL QG 4.700 . 6.000 3.184 3.063 3.493 . 0 0 "[ . 1 .]" 1
1178 1 24 GLU H 1 24 GLU HG2 3.900 . 5.800 3.128 2.407 3.952 . 0 0 "[ . 1 .]" 1
1179 1 17 VAL H 1 109 LYS H 4.000 . 6.000 2.850 2.596 2.970 . 0 0 "[ . 1 .]" 1
1180 1 44 LYS HA 1 45 GLU H 3.400 . 4.900 2.184 2.114 2.272 . 0 0 "[ . 1 .]" 1
1181 1 35 PHE QD 1 92 ARG H 3.400 . 4.900 2.322 1.869 3.139 0.031 1 0 "[ . 1 .]" 1
1182 1 39 PHE H 1 88 LEU HG 4.600 . 6.000 5.997 5.635 6.150 0.150 11 0 "[ . 1 .]" 1
1183 1 56 ASN HA 1 56 ASN HD21 4.100 . 6.000 4.148 3.531 4.558 . 0 0 "[ . 1 .]" 1
1184 1 109 LYS QG 1 111 ASN QD 4.700 . 6.000 2.540 1.690 3.145 0.210 1 0 "[ . 1 .]" 1
1185 1 17 VAL QG 1 111 ASN H 5.300 . 6.000 2.854 2.500 3.300 . 0 0 "[ . 1 .]" 1
1186 1 38 TYR QD 1 41 GLY HA3 5.400 . 6.000 4.359 3.656 4.880 . 0 0 "[ . 1 .]" 1
1187 1 11 ASN H 1 12 GLY H 3.900 . 5.800 2.748 2.505 2.802 . 0 0 "[ . 1 .]" 1
1188 1 51 MET QG 1 52 PHE H 4.000 . 6.000 2.316 1.916 3.011 0.084 6 0 "[ . 1 .]" 1
1189 1 72 GLU HG2 1 73 HIS H 5.100 . 6.000 4.712 4.587 4.856 . 0 0 "[ . 1 .]" 1
1190 1 38 TYR QD 1 92 ARG HA 5.300 . 6.000 6.127 5.795 6.444 0.444 15 0 "[ . 1 .]" 1
1191 1 35 PHE QD 1 36 ALA H 4.800 . 6.000 4.137 3.752 4.387 . 0 0 "[ . 1 .]" 1
1192 1 23 VAL H 1 24 GLU H 4.500 . 6.000 4.215 3.987 4.372 . 0 0 "[ . 1 .]" 1
1193 1 83 THR H 1 84 HIS H 4.600 . 6.000 4.476 4.438 4.509 . 0 0 "[ . 1 .]" 1
1194 1 37 TRP HE3 1 90 TYR HB2 3.700 . 5.400 3.088 2.925 3.298 . 0 0 "[ . 1 .]" 1
1195 1 92 ARG HE 1 92 ARG HG3 3.600 . 5.200 2.600 2.335 3.187 . 0 0 "[ . 1 .]" 1
1196 1 37 TRP HE1 1 90 TYR QD 3.900 . 5.800 3.754 3.343 4.195 . 0 0 "[ . 1 .]" 1
1197 1 91 MET H 1 92 ARG H 4.300 . 6.000 4.443 4.403 4.497 . 0 0 "[ . 1 .]" 1
1198 1 26 GLN HE21 1 72 GLU H 4.900 . 6.000 5.019 4.359 5.852 . 0 0 "[ . 1 .]" 1
1199 1 61 PRO HD3 1 71 THR H 4.600 . 6.000 3.789 2.648 4.676 . 0 0 "[ . 1 .]" 1
1200 1 99 HIS HB2 1 100 ASP H 4.600 . 6.000 4.130 3.160 4.527 . 0 0 "[ . 1 .]" 1
1201 1 45 GLU HG3 1 46 SER H 4.700 . 6.000 4.290 3.617 4.842 . 0 0 "[ . 1 .]" 1
1202 1 39 PHE H 1 88 LEU QD 3.900 . 5.800 3.084 2.743 3.250 . 0 0 "[ . 1 .]" 1
1203 1 50 SER H 1 51 MET HA 4.800 . 6.000 4.782 4.188 5.269 . 0 0 "[ . 1 .]" 1
1204 1 50 SER HA 1 51 MET H 4.200 . 6.000 3.338 2.785 3.574 . 0 0 "[ . 1 .]" 1
1205 1 8 LYS H 1 26 GLN HB3 4.500 . 6.000 5.594 5.229 5.876 . 0 0 "[ . 1 .]" 1
1206 1 33 THR HB 1 34 GLY H 4.500 . 6.000 3.483 2.622 4.497 . 0 0 "[ . 1 .]" 1
1207 1 52 PHE H 1 52 PHE QD 4.000 . 6.000 3.069 2.774 4.194 . 0 0 "[ . 1 .]" 1
1208 1 35 PHE QD 1 92 ARG HG3 3.300 . 6.000 2.702 1.806 4.063 . 0 0 "[ . 1 .]" 1
1209 1 72 GLU H 1 72 GLU HG2 4.500 . 6.000 3.631 3.359 3.755 . 0 0 "[ . 1 .]" 1
1210 1 53 THR H 1 77 THR MG 4.700 . 6.000 4.185 3.911 5.236 . 0 0 "[ . 1 .]" 1
1211 1 37 TRP H 1 90 TYR QE 4.200 . 6.000 3.077 2.817 3.837 . 0 0 "[ . 1 .]" 1
1212 1 21 GLU HG2 1 22 LEU H 5.500 . 6.000 4.306 3.751 4.596 . 0 0 "[ . 1 .]" 1
1213 1 30 ASN HA 1 30 ASN HD22 4.600 . 6.000 4.842 4.793 4.979 . 0 0 "[ . 1 .]" 1
1214 1 38 TYR QE 1 92 ARG HA 4.900 . 6.000 5.201 4.038 5.989 . 0 0 "[ . 1 .]" 1
1215 1 92 ARG HG3 1 94 TRP HZ2 4.600 . 6.000 4.298 3.949 4.772 . 0 0 "[ . 1 .]" 1
1216 1 22 LEU HG 1 76 VAL H 4.300 . 6.000 4.696 4.234 5.964 . 0 0 "[ . 1 .]" 1
1217 1 25 ILE MG 1 26 GLN HE21 5.100 . 6.000 5.757 5.025 6.037 0.037 5 0 "[ . 1 .]" 1
1218 1 106 VAL HA 1 107 TYR QE 4.700 . 6.000 5.358 5.143 5.555 . 0 0 "[ . 1 .]" 1
1219 1 7 THR H 1 25 ILE MG 5.000 . 6.000 5.226 4.576 5.905 . 0 0 "[ . 1 .]" 1
1220 1 93 PRO HB2 1 94 TRP HZ3 5.200 . 6.000 4.352 3.878 4.760 . 0 0 "[ . 1 .]" 1
1221 1 40 GLU H 1 88 LEU QD 5.100 . 6.000 4.714 4.555 4.922 . 0 0 "[ . 1 .]" 1
1222 1 47 PRO HB3 1 48 ASN H 4.700 . 6.000 4.001 3.188 4.656 . 0 0 "[ . 1 .]" 1
1223 1 8 LYS HB2 1 9 ALA H 5.000 . 6.000 3.958 3.896 4.014 . 0 0 "[ . 1 .]" 1
1224 1 85 ALA MB 1 107 TYR HB2 5.400 . 6.000 5.347 5.152 5.587 . 0 0 "[ . 1 .]" 1
1225 1 7 THR HA 1 26 GLN H 4.000 . 6.000 3.606 3.377 3.908 . 0 0 "[ . 1 .]" 1
1226 1 13 ALA H 1 14 THR H 5.100 . 6.000 4.521 4.482 4.566 . 0 0 "[ . 1 .]" 1
1227 1 56 ASN HB3 1 57 LYS H 4.800 . 6.000 3.896 2.520 4.249 . 0 0 "[ . 1 .]" 1
1228 1 37 TRP HA 1 37 TRP HD1 4.700 . 6.000 4.298 4.213 4.407 . 0 0 "[ . 1 .]" 1
1229 1 88 LEU QD 1 89 THR H . . 5.600 3.489 3.411 3.556 . 0 0 "[ . 1 .]" 1
1230 1 48 ASN HD22 1 82 GLY HA3 4.300 . 6.000 2.454 1.549 4.340 0.451 10 0 "[ . 1 .]" 1
1231 1 35 PHE QD 1 91 MET H 4.700 . 6.000 4.506 4.034 5.033 . 0 0 "[ . 1 .]" 1
1232 1 19 VAL H 1 111 ASN H 4.100 . 6.000 3.035 2.727 4.082 . 0 0 "[ . 1 .]" 1
1233 1 105 THR MG 1 108 LEU H 4.700 . 6.000 5.981 5.883 6.044 0.044 12 0 "[ . 1 .]" 1
1234 1 61 PRO HB3 1 62 ASP H 4.800 . 6.000 3.188 2.192 4.391 . 0 0 "[ . 1 .]" 1
1235 1 72 GLU HB2 1 73 HIS H 5.100 . 6.000 4.368 4.326 4.441 . 0 0 "[ . 1 .]" 1
1236 1 6 VAL H 1 26 GLN H 4.700 . 6.000 2.945 2.677 3.454 . 0 0 "[ . 1 .]" 1
1237 1 10 HIS QB 1 11 ASN H 4.100 . 6.000 3.319 3.256 3.811 . 0 0 "[ . 1 .]" 1
1238 1 10 HIS QB 1 12 GLY H 4.800 . 6.000 4.220 4.138 4.528 . 0 0 "[ . 1 .]" 1
1239 1 84 HIS HD2 1 86 VAL QG 4.700 . 6.000 4.602 3.902 5.629 . 0 0 "[ . 1 .]" 1
1240 1 4 HIS HE1 1 6 VAL MG2 4.400 . 6.000 2.431 1.971 3.339 0.029 14 0 "[ . 1 .]" 1
1241 1 6 VAL MG1 1 10 HIS H 5.400 . 6.000 3.440 3.199 4.372 . 0 0 "[ . 1 .]" 1
1242 1 25 ILE MG 1 74 PHE H 4.200 . 6.000 3.876 3.414 4.110 . 0 0 "[ . 1 .]" 1
1243 1 39 PHE HZ 1 88 LEU HG 5.000 . 6.000 4.846 4.645 5.168 . 0 0 "[ . 1 .]" 1
1244 1 48 ASN H 1 49 GLU H 4.500 . 6.000 2.547 1.948 3.457 0.052 7 0 "[ . 1 .]" 1
1245 1 7 THR H 1 8 LYS H 4.600 . 6.000 4.432 4.341 4.564 . 0 0 "[ . 1 .]" 1
1246 1 53 THR MG 1 77 THR H 4.800 . 6.000 4.390 3.991 5.378 . 0 0 "[ . 1 .]" 1
1247 1 12 GLY H 1 104 PHE QD 5.300 . 6.000 4.933 4.731 5.410 . 0 0 "[ . 1 .]" 1
1248 1 109 LYS HD3 1 111 ASN QD 4.400 . 6.000 3.886 2.747 4.873 . 0 0 "[ . 1 .]" 1
1249 1 28 PRO QB 1 30 ASN HD22 5.800 . 6.000 4.371 4.017 4.946 . 0 0 "[ . 1 .]" 1
1250 1 95 THR MG 1 96 GLY H 3.500 . 6.000 1.527 1.339 1.861 . 0 0 "[ . 1 .]" 1
1251 1 78 VAL MG2 1 80 ALA H 4.700 . 6.000 2.902 2.733 3.183 . 0 0 "[ . 1 .]" 1
1252 1 32 THR MG 1 37 TRP HD1 5.200 . 6.000 6.129 6.030 6.235 0.235 9 0 "[ . 1 .]" 1
1253 1 6 VAL H 1 25 ILE MG 5.900 . 6.000 4.149 3.982 4.378 . 0 0 "[ . 1 .]" 1
1254 1 30 ASN H 1 31 PRO HD3 5.100 . 6.000 2.263 2.109 2.657 . 0 0 "[ . 1 .]" 1
1255 1 51 MET H 1 52 PHE HB3 5.800 . 6.000 5.270 4.942 5.657 . 0 0 "[ . 1 .]" 1
1256 1 27 LEU HB2 1 73 HIS H 4.600 . 6.000 5.632 5.305 5.953 . 0 0 "[ . 1 .]" 1
1257 1 21 GLU H 1 21 GLU HG3 4.900 . 6.000 2.751 2.031 3.764 . 0 0 "[ . 1 .]" 1
1258 1 25 ILE MD 1 26 GLN H 5.700 . 6.000 3.975 3.842 4.104 . 0 0 "[ . 1 .]" 1
1259 1 4 HIS QB 1 18 ALA H 5.200 . 6.000 3.141 2.651 3.543 . 0 0 "[ . 1 .]" 1
1260 1 48 ASN HD22 1 82 GLY HA2 5.600 . 6.000 3.849 2.844 5.971 . 0 0 "[ . 1 .]" 1
1261 1 7 THR MG 1 73 HIS HE1 5.600 . 6.000 6.000 5.628 6.148 0.148 1 0 "[ . 1 .]" 1
1262 1 39 PHE QD 1 87 ASN H 4.900 . 6.000 3.575 3.214 4.009 . 0 0 "[ . 1 .]" 1
1263 1 57 LYS QD 1 58 TYR QD 5.300 . 6.000 5.353 4.687 5.790 . 0 0 "[ . 1 .]" 1
1264 1 83 THR MG 1 111 ASN QD 6.000 . 6.000 5.565 5.004 5.789 . 0 0 "[ . 1 .]" 1
1265 1 38 TYR HB3 1 42 GLY H 4.500 . 6.000 2.972 2.584 3.866 . 0 0 "[ . 1 .]" 1
1266 1 19 VAL QG 1 22 LEU H 5.300 . 6.000 4.641 3.109 5.112 . 0 0 "[ . 1 .]" 1
1267 1 47 PRO HB3 1 49 GLU H 6.000 . 6.000 5.894 5.255 6.638 0.638 15 2 "[ . - 1 +]" 1
1268 1 50 SER H 1 52 PHE H 6.000 . 6.000 3.167 2.260 3.776 . 0 0 "[ . 1 .]" 1
1269 1 26 GLN HB3 1 26 GLN HE22 5.100 . 6.000 3.779 3.378 3.930 . 0 0 "[ . 1 .]" 1
1270 1 4 HIS HD2 1 84 HIS HB2 4.400 . 6.000 6.217 6.142 6.276 0.276 4 0 "[ . 1 .]" 1
1271 1 65 LEU MD2 1 66 LEU H 6.000 . 6.000 3.819 2.599 4.525 . 0 0 "[ . 1 .]" 1
1272 1 27 LEU H 1 73 HIS QB 5.700 . 6.000 4.053 3.634 4.673 . 0 0 "[ . 1 .]" 1
1273 1 47 PRO HA 1 48 ASN H 5.000 . 6.000 2.750 2.127 3.498 . 0 0 "[ . 1 .]" 1
1274 1 39 PHE QD 1 44 LYS HD2 6.000 . 6.000 5.132 4.613 5.508 . 0 0 "[ . 1 .]" 1
1275 1 71 THR H 1 72 GLU HG2 5.700 . 6.000 4.043 3.617 4.427 . 0 0 "[ . 1 .]" 1
1276 1 104 PHE QE 1 105 THR HA 5.600 . 6.000 3.880 3.709 3.964 . 0 0 "[ . 1 .]" 1
1277 1 21 GLU HG3 1 22 LEU H 6.000 . 6.000 3.945 3.620 4.221 . 0 0 "[ . 1 .]" 1
1278 1 36 ALA H 1 38 TYR QD 5.200 . 6.000 4.325 3.883 5.104 . 0 0 "[ . 1 .]" 1
1279 1 55 GLU HB3 1 75 HIS HB2 5.600 . 6.000 3.855 1.675 5.024 0.025 14 0 "[ . 1 .]" 1
1280 1 102 GLU QG 1 103 ARG H 4.500 . 6.000 1.934 1.467 2.425 . 0 0 "[ . 1 .]" 1
1281 1 26 GLN H 1 27 LEU QD 5.800 . 6.000 3.909 3.385 4.832 . 0 0 "[ . 1 .]" 1
1282 1 46 SER H 1 54 VAL H 5.700 . 6.000 4.525 3.813 6.087 0.087 14 0 "[ . 1 .]" 1
1283 1 76 VAL H 1 77 THR H 6.000 . 6.000 4.279 4.213 4.353 . 0 0 "[ . 1 .]" 1
1284 1 39 PHE QE 1 86 VAL QG . . 4.500 2.747 2.350 3.036 . 0 0 "[ . 1 .]" 1
1285 1 47 PRO HG3 1 48 ASN H 6.000 . 6.000 4.965 4.670 5.234 . 0 0 "[ . 1 .]" 1
1286 1 25 ILE MG 1 27 LEU H 5.800 . 6.000 4.609 4.226 4.890 . 0 0 "[ . 1 .]" 1
1287 1 58 TYR QB 1 59 PHE H 5.800 . 6.000 3.130 2.607 3.519 . 0 0 "[ . 1 .]" 1
1288 1 53 THR H 1 76 VAL QG 5.800 . 6.000 5.154 4.306 5.641 . 0 0 "[ . 1 .]" 1
1289 1 78 VAL MG1 1 110 ALA HA 5.800 . 6.000 4.926 4.473 5.289 . 0 0 "[ . 1 .]" 1
1290 1 7 THR HA 1 104 PHE QE 6.000 . 6.000 5.415 5.256 6.109 0.109 15 0 "[ . 1 .]" 1
1291 1 109 LYS HB2 1 111 ASN QD 5.600 . 6.000 4.552 3.837 5.005 . 0 0 "[ . 1 .]" 1
1292 1 25 ILE MD 1 74 PHE H 6.000 . 6.000 4.906 4.770 5.098 . 0 0 "[ . 1 .]" 1
1293 1 39 PHE QD 1 45 GLU H 5.900 . 6.000 2.945 2.509 3.257 . 0 0 "[ . 1 .]" 1
1294 1 75 HIS H 1 76 VAL H 6.000 . 6.000 4.274 4.139 4.510 . 0 0 "[ . 1 .]" 1
1295 1 60 PRO HA 1 70 GLY H 6.000 . 6.000 5.461 4.483 6.090 0.090 1 0 "[ . 1 .]" 1
1296 1 22 LEU H 1 23 VAL H 6.000 . 6.000 4.113 3.924 4.288 . 0 0 "[ . 1 .]" 1
1297 1 28 PRO QB 1 71 THR H 6.000 . 6.000 5.540 5.144 5.679 . 0 0 "[ . 1 .]" 1
1298 1 36 ALA MB 1 93 PRO HD3 6.000 . 6.000 2.742 2.343 3.067 . 0 0 "[ . 1 .]" 1
1299 1 21 GLU H 1 22 LEU H 6.000 . 6.000 2.772 2.603 2.923 . 0 0 "[ . 1 .]" 1
1300 1 94 TRP HA 1 95 THR H 6.000 . 6.000 3.247 3.151 3.308 . 0 0 "[ . 1 .]" 1
1301 1 61 PRO HD3 1 70 GLY H 6.000 . 6.000 4.328 3.390 5.665 . 0 0 "[ . 1 .]" 1
1302 1 60 PRO HD3 1 60 PRO HG3 1.900 . 2.400 2.332 2.277 2.366 . 0 0 "[ . 1 .]" 1
1303 1 111 ASN HA 1 111 ASN HB3 2.000 . 2.500 2.438 2.292 2.505 0.005 11 0 "[ . 1 .]" 1
1304 1 28 PRO QB 1 28 PRO HG2 2.300 . 2.900 2.277 2.255 2.320 . 0 0 "[ . 1 .]" 1
1305 1 43 THR HB 1 43 THR MG 2.100 . 2.700 2.132 2.128 2.137 . 0 0 "[ . 1 .]" 1
1306 1 53 THR HB 1 53 THR MG 2.100 . 2.700 2.132 2.124 2.136 . 0 0 "[ . 1 .]" 1
1307 1 19 VAL HA 1 19 VAL QG 2.100 . 2.600 2.306 2.099 2.388 . 0 0 "[ . 1 .]" 1
1308 1 44 LYS HA 1 44 LYS HD2 2.300 . 6.000 4.315 3.846 5.275 . 0 0 "[ . 1 .]" 1
1309 1 77 THR HB 1 77 THR MG 2.100 . 2.600 2.135 2.131 2.143 . 0 0 "[ . 1 .]" 1
1310 1 95 THR HB 1 95 THR MG 2.000 . 2.500 2.131 2.129 2.133 . 0 0 "[ . 1 .]" 1
1311 1 32 THR HB 1 32 THR MG 2.100 . 2.700 2.136 2.127 2.142 . 0 0 "[ . 1 .]" 1
1312 1 16 THR HB 1 16 THR MG 2.200 . 2.800 2.134 2.132 2.137 . 0 0 "[ . 1 .]" 1
1313 1 27 LEU HB2 1 27 LEU QD 2.000 . 2.500 2.245 2.104 2.305 . 0 0 "[ . 1 .]" 1
1314 1 33 THR MG 1 101 SER HA 2.400 . 6.000 5.931 5.222 6.173 0.173 11 0 "[ . 1 .]" 1
1315 1 50 SER HA 1 50 SER HB3 2.300 . 3.000 2.578 2.318 3.042 0.042 1 0 "[ . 1 .]" 1
1316 1 36 ALA MB 1 92 ARG HA 2.600 . 6.000 4.434 4.265 4.676 . 0 0 "[ . 1 .]" 1
1317 1 16 THR HA 1 17 VAL H 2.000 . 2.500 2.250 2.170 2.333 . 0 0 "[ . 1 .]" 1
1318 1 13 ALA HA 1 13 ALA MB 2.100 . 2.700 2.110 2.081 2.122 . 0 0 "[ . 1 .]" 1
1319 1 83 THR HA 1 83 THR MG 2.100 . 2.600 2.212 2.146 2.259 . 0 0 "[ . 1 .]" 1
1320 1 88 LEU QD 1 88 LEU HG 2.000 . 2.500 1.889 1.884 1.892 . 0 0 "[ . 1 .]" 1
1321 1 81 ALA HA 1 81 ALA MB 2.200 . 2.800 2.126 2.122 2.132 . 0 0 "[ . 1 .]" 1
1322 1 80 ALA HA 1 80 ALA MB 2.200 . 2.800 2.135 2.131 2.140 . 0 0 "[ . 1 .]" 1
1323 1 63 SER HA 1 63 SER HB3 2.400 . 3.100 2.638 2.344 3.034 . 0 0 "[ . 1 .]" 1
1324 1 76 VAL HA 1 77 THR H 2.100 . 2.600 2.078 2.032 2.144 . 0 0 "[ . 1 .]" 1
1325 1 76 VAL HB 1 76 VAL QG 2.200 . 2.800 1.887 1.884 1.897 . 0 0 "[ . 1 .]" 1
1326 1 65 LEU HA 1 65 LEU QB 2.300 . 3.000 2.407 2.340 2.464 . 0 0 "[ . 1 .]" 1
1327 1 97 PRO HD3 1 97 PRO HG3 2.000 . 2.500 2.295 2.269 2.328 . 0 0 "[ . 1 .]" 1
1328 1 18 ALA HA 1 18 ALA MB 2.300 . 2.900 2.136 2.128 2.138 . 0 0 "[ . 1 .]" 1
1329 1 71 THR HB 1 71 THR MG 2.200 . 2.800 2.134 2.127 2.146 . 0 0 "[ . 1 .]" 1
1330 1 49 GLU HA 1 51 MET ME 2.600 . 6.000 5.182 4.231 6.027 0.027 5 0 "[ . 1 .]" 1
1331 1 27 LEU MD1 1 27 LEU MD2 2.200 . 2.800 2.086 2.076 2.100 . 0 0 "[ . 1 .]" 1
1332 1 103 ARG HD3 1 103 ARG HG3 2.400 . 3.100 3.000 2.988 3.013 . 0 0 "[ . 1 .]" 1
1333 1 18 ALA MB 1 21 GLU HG3 2.400 . 6.000 6.025 5.912 6.100 0.100 8 0 "[ . 1 .]" 1
1334 1 22 LEU QD 1 23 VAL HB 2.800 . 6.000 4.227 3.948 4.450 . 0 0 "[ . 1 .]" 1
1335 1 39 PHE HA 1 88 LEU QD 2.200 . 2.800 1.823 1.578 2.133 0.022 11 0 "[ . 1 .]" 1
1336 1 15 LEU H 1 107 TYR HA 2.700 . 6.000 5.026 4.919 5.325 . 0 0 "[ . 1 .]" 1
1337 1 88 LEU MD1 1 88 LEU MD2 2.200 . 2.800 2.073 2.064 2.088 . 0 0 "[ . 1 .]" 1
1338 1 5 LYS HA 1 5 LYS HB3 2.200 . 2.800 2.551 2.357 3.020 0.220 14 0 "[ . 1 .]" 1
1339 1 95 THR HA 1 95 THR HB 2.300 . 3.000 2.378 2.344 2.448 . 0 0 "[ . 1 .]" 1
1340 1 66 LEU HB3 1 66 LEU QD 2.500 . 3.300 2.265 2.109 2.491 . 0 0 "[ . 1 .]" 1
1341 1 7 THR HA 1 7 THR HB 2.300 . 3.000 2.637 2.576 2.683 . 0 0 "[ . 1 .]" 1
1342 1 8 LYS HA 1 37 TRP HZ2 2.500 . 6.000 5.527 5.246 5.959 . 0 0 "[ . 1 .]" 1
1343 1 25 ILE MD 1 25 ILE HG13 2.100 . 2.600 2.122 2.115 2.131 . 0 0 "[ . 1 .]" 1
1344 1 8 LYS QD 1 27 LEU QD 2.200 . 2.800 1.969 1.790 2.108 . 0 0 "[ . 1 .]" 1
1345 1 43 THR HA 1 43 THR MG 2.400 . 3.100 2.216 2.153 2.306 . 0 0 "[ . 1 .]" 1
1346 1 84 HIS HA 1 84 HIS HB3 2.600 . 3.500 3.014 3.005 3.026 . 0 0 "[ . 1 .]" 1
1347 1 34 GLY QA 1 35 PHE HA 2.700 . 6.000 4.140 4.048 4.263 . 0 0 "[ . 1 .]" 1
1348 1 103 ARG HA 1 104 PHE H 2.100 . 2.600 2.118 2.098 2.153 . 0 0 "[ . 1 .]" 1
1349 1 23 VAL HB 1 23 VAL MG2 2.200 . 2.800 2.119 2.115 2.123 . 0 0 "[ . 1 .]" 1
1350 1 52 PHE HA 1 52 PHE HB2 2.500 . 3.300 2.968 2.818 2.995 . 0 0 "[ . 1 .]" 1
1351 1 64 LYS QD 1 64 LYS HE3 2.400 . 3.100 2.297 2.173 2.409 . 0 0 "[ . 1 .]" 1
1352 1 51 MET ME 1 79 LYS QD 2.400 . 3.100 2.547 1.843 2.984 . 0 0 "[ . 1 .]" 1
1353 1 37 TRP HA 1 38 TYR H 2.200 . 2.800 2.111 2.068 2.165 . 0 0 "[ . 1 .]" 1
1354 1 27 LEU HA 1 27 LEU QD 2.200 . 2.800 1.926 1.772 2.404 0.128 11 0 "[ . 1 .]" 1
1355 1 91 MET ME 1 93 PRO HA 2.500 . 3.300 3.478 3.357 3.601 0.301 15 0 "[ . 1 .]" 1
1356 1 30 ASN HA 1 31 PRO HD2 2.600 . 3.500 2.667 2.572 2.846 . 0 0 "[ . 1 .]" 1
1357 1 89 THR HB 1 91 MET ME 2.500 . 3.300 3.206 2.866 3.495 0.195 9 0 "[ . 1 .]" 1
1358 1 22 LEU HB2 1 22 LEU QD 2.500 . 3.300 2.141 2.115 2.362 . 0 0 "[ . 1 .]" 1
1359 1 15 LEU H 1 15 LEU HB3 2.600 . 3.400 3.419 2.906 3.949 0.549 13 1 "[ . 1 + .]" 1
1360 1 58 TYR HA 1 58 TYR QB 2.100 . 2.700 2.189 2.117 2.248 . 0 0 "[ . 1 .]" 1
1361 1 84 HIS HB2 1 108 LEU QB 2.900 . 6.000 4.859 3.362 5.463 . 0 0 "[ . 1 .]" 1
1362 1 62 ASP HA 1 62 ASP QB 2.600 . 3.400 2.361 2.182 2.456 . 0 0 "[ . 1 .]" 1
1363 1 25 ILE HB 1 25 ILE MG 2.300 . 3.000 2.122 2.118 2.127 . 0 0 "[ . 1 .]" 1
1364 1 47 PRO QD 1 49 GLU QB 2.700 . 6.000 4.948 4.505 5.210 . 0 0 "[ . 1 .]" 1
1365 1 27 LEU QD 1 74 PHE QD 2.600 . 3.400 3.274 2.908 3.410 0.010 7 0 "[ . 1 .]" 1
1366 1 91 MET HB2 1 91 MET ME 2.200 . 2.800 1.868 1.667 2.045 . 0 0 "[ . 1 .]" 1
1367 1 92 ARG HA 1 93 PRO HD3 3.000 . 4.100 2.565 2.386 2.647 . 0 0 "[ . 1 .]" 1
1368 1 5 LYS HE3 1 5 LYS QG 2.500 . 3.300 2.552 2.305 3.304 0.004 11 0 "[ . 1 .]" 1
1369 1 14 THR MG 1 107 TYR HB3 2.800 . 3.800 2.652 2.453 2.968 . 0 0 "[ . 1 .]" 1
1370 1 77 THR H 1 77 THR HB 2.500 . 3.300 2.657 2.573 2.726 . 0 0 "[ . 1 .]" 1
1371 1 19 VAL HA 1 21 GLU HB2 2.900 . 6.000 5.024 4.550 5.321 . 0 0 "[ . 1 .]" 1
1372 1 44 LYS HA 1 45 GLU HG3 3.500 . 5.000 5.293 4.817 5.855 0.855 12 6 "[* * .* -*1 + .]" 1
1373 1 25 ILE HA 1 25 ILE MG 2.400 . 3.100 2.379 2.339 2.414 . 0 0 "[ . 1 .]" 1
1374 1 37 TRP HH2 1 102 GLU QG 2.700 . 3.600 2.474 2.062 3.185 . 0 0 "[ . 1 .]" 1
1375 1 8 LYS HA 1 8 LYS HB2 2.200 . 2.800 2.444 2.425 2.468 . 0 0 "[ . 1 .]" 1
1376 1 91 MET ME 1 91 MET QG 2.600 . 3.500 2.495 2.433 2.585 . 0 0 "[ . 1 .]" 1
1377 1 16 THR HA 1 109 LYS H 2.400 . 3.100 2.103 1.937 2.311 . 0 0 "[ . 1 .]" 1
1378 1 11 ASN HA 1 27 LEU QD 3.100 . 4.300 4.097 3.945 4.266 . 0 0 "[ . 1 .]" 1
1379 1 27 LEU HA 1 27 LEU HB2 2.700 . 3.600 2.980 2.957 2.993 . 0 0 "[ . 1 .]" 1
1380 1 30 ASN HA 1 31 PRO HB3 6.000 . 6.000 5.727 5.515 5.825 . 0 0 "[ . 1 .]" 1
1381 1 56 ASN HB2 1 57 LYS QD 3.100 . 6.000 5.464 4.294 6.726 0.726 10 1 "[ . + .]" 1
1382 1 85 ALA HA 1 107 TYR HA 2.400 . 3.100 2.478 2.333 2.619 . 0 0 "[ . 1 .]" 1
1383 1 76 VAL QG 1 84 HIS HB2 3.100 . 6.000 4.389 4.144 4.781 . 0 0 "[ . 1 .]" 1
1384 1 6 VAL MG1 1 107 TYR H 3.700 . 6.000 6.081 6.028 6.155 0.155 14 0 "[ . 1 .]" 1
1385 1 88 LEU HA 1 103 ARG HG3 2.700 . 6.000 4.208 3.948 4.379 . 0 0 "[ . 1 .]" 1
1386 1 39 PHE HA 1 39 PHE QD 2.400 . 3.100 2.838 2.653 2.965 . 0 0 "[ . 1 .]" 1
1387 1 107 TYR H 1 107 TYR HA 2.500 . 3.300 2.935 2.927 2.955 . 0 0 "[ . 1 .]" 1
1388 1 19 VAL QG 1 80 ALA HA 3.100 . 6.000 4.648 4.148 5.868 . 0 0 "[ . 1 .]" 1
1389 1 16 THR MG 1 17 VAL H 2.700 . 3.600 2.203 2.083 2.441 . 0 0 "[ . 1 .]" 1
1390 1 83 THR HA 1 83 THR HB 2.600 . 3.500 3.007 2.980 3.020 . 0 0 "[ . 1 .]" 1
1391 1 74 PHE HB3 1 76 VAL QG 2.600 . 6.000 3.472 3.137 3.881 . 0 0 "[ . 1 .]" 1
1392 1 88 LEU HA 1 88 LEU QD 2.600 . 3.500 2.020 1.927 2.089 0.073 2 0 "[ . 1 .]" 1
1393 1 30 ASN HA 1 30 ASN HB2 3.000 . 4.100 2.962 2.582 3.002 . 0 0 "[ . 1 .]" 1
1394 1 10 HIS QB 1 27 LEU QD 6.000 . 6.000 4.476 4.262 4.733 . 0 0 "[ . 1 .]" 1
1395 1 15 LEU HB3 1 15 LEU QD 2.700 . 3.600 2.181 2.052 2.447 . 0 0 "[ . 1 .]" 1
1396 1 25 ILE MD 1 104 PHE QE 2.900 . 4.000 3.448 3.186 3.638 . 0 0 "[ . 1 .]" 1
1397 1 78 VAL HA 1 78 VAL MG1 2.900 . 4.000 3.212 3.200 3.220 . 0 0 "[ . 1 .]" 1
1398 1 27 LEU HA 1 28 PRO HD3 2.200 . 2.800 2.167 2.078 2.265 . 0 0 "[ . 1 .]" 1
1399 1 11 ASN HA 1 11 ASN HB2 2.400 . 3.100 2.452 2.397 2.567 . 0 0 "[ . 1 .]" 1
1400 1 16 THR HA 1 16 THR HB 2.700 . 3.600 3.024 3.016 3.030 . 0 0 "[ . 1 .]" 1
1401 1 39 PHE HA 1 39 PHE HB3 2.400 . 3.100 2.752 2.696 2.839 . 0 0 "[ . 1 .]" 1
1402 1 103 ARG HB2 1 103 ARG HD3 2.900 . 3.900 3.201 3.089 3.329 . 0 0 "[ . 1 .]" 1
1403 1 23 VAL HA 1 23 VAL MG2 2.500 . 3.300 2.136 2.111 2.153 . 0 0 "[ . 1 .]" 1
1404 1 4 HIS QB 1 16 THR MG 3.100 . 6.000 5.912 5.867 5.987 . 0 0 "[ . 1 .]" 1
1405 1 28 PRO HG2 1 29 SER HA 3.000 . 6.000 4.740 4.601 4.837 . 0 0 "[ . 1 .]" 1
1406 1 59 PHE QB 1 71 THR HB 2.500 . 3.300 3.288 3.095 3.398 0.098 4 0 "[ . 1 .]" 1
1407 1 36 ALA MB 1 91 MET H 3.100 . 4.300 4.303 4.090 4.395 0.095 12 0 "[ . 1 .]" 1
1408 1 49 GLU HA 1 53 THR MG 3.100 . 6.000 5.579 3.889 6.167 0.167 6 0 "[ . 1 .]" 1
1409 1 39 PHE HB2 1 44 LYS QB 2.700 . 3.600 2.951 2.616 3.292 . 0 0 "[ . 1 .]" 1
1410 1 92 ARG HA 1 95 THR MG 3.500 . 5.000 4.552 4.340 4.788 . 0 0 "[ . 1 .]" 1
1411 1 55 GLU HA 1 55 GLU HB3 2.600 . 3.400 2.584 2.380 3.021 . 0 0 "[ . 1 .]" 1
1412 1 79 LYS HA 1 79 LYS QD 3.100 . 4.300 3.840 3.658 4.147 . 0 0 "[ . 1 .]" 1
1413 1 39 PHE HB2 1 43 THR MG 2.700 . 6.000 5.193 4.683 5.499 . 0 0 "[ . 1 .]" 1
1414 1 20 GLY HA2 1 77 THR MG 3.000 . 6.000 5.277 4.920 5.635 . 0 0 "[ . 1 .]" 1
1415 1 17 VAL QG 1 109 LYS HB3 3.300 . 4.700 3.698 3.582 3.864 . 0 0 "[ . 1 .]" 1
1416 1 53 THR HA 1 53 THR MG 3.200 . 4.400 3.139 2.154 3.216 . 0 0 "[ . 1 .]" 1
1417 1 22 LEU HA 1 22 LEU HG 2.900 . 3.900 3.195 2.682 3.285 . 0 0 "[ . 1 .]" 1
1418 1 22 LEU HA 1 22 LEU HB2 2.600 . 3.400 2.430 2.388 2.702 . 0 0 "[ . 1 .]" 1
1419 1 21 GLU HB2 1 23 VAL HA 2.800 . 6.000 6.017 5.912 6.114 0.114 9 0 "[ . 1 .]" 1
1420 1 88 LEU H 1 89 THR HA 3.000 . 6.000 4.852 4.798 4.930 . 0 0 "[ . 1 .]" 1
1421 1 28 PRO HD2 1 28 PRO HG2 2.300 . 2.900 2.287 2.269 2.303 . 0 0 "[ . 1 .]" 1
1422 1 61 PRO HD3 1 66 LEU HG 2.900 . 6.000 5.658 4.546 6.540 0.540 5 1 "[ + 1 .]" 1
1423 1 52 PHE HA 1 77 THR MG 3.400 . 4.800 4.735 4.554 4.855 0.055 2 0 "[ . 1 .]" 1
1424 1 105 THR MG 1 106 VAL HA 2.800 . 3.800 3.487 3.308 3.584 . 0 0 "[ . 1 .]" 1
1425 1 39 PHE HZ 1 86 VAL HA 2.900 . 4.000 3.323 2.505 3.835 . 0 0 "[ . 1 .]" 1
1426 1 24 GLU HA 1 25 ILE HA 3.000 . 6.000 4.420 4.383 4.445 . 0 0 "[ . 1 .]" 1
1427 1 83 THR HA 1 109 LYS HB3 3.300 . 4.600 4.596 4.341 4.915 0.315 11 0 "[ . 1 .]" 1
1428 1 27 LEU HA 1 104 PHE HB2 1.900 . 6.000 6.036 5.834 6.142 0.142 7 0 "[ . 1 .]" 1
1429 1 6 VAL HB 1 25 ILE HA 2.600 . 3.500 1.950 1.741 2.730 . 0 0 "[ . 1 .]" 1
1430 1 22 LEU HB3 1 22 LEU QD 3.300 . 4.700 2.247 2.132 2.282 . 0 0 "[ . 1 .]" 1
1431 1 25 ILE HB 1 25 ILE MD 2.800 . 3.800 2.400 2.368 2.432 . 0 0 "[ . 1 .]" 1
1432 1 28 PRO HD3 1 28 PRO HG2 3.000 . 4.100 2.974 2.951 2.990 . 0 0 "[ . 1 .]" 1
1433 1 19 VAL QG 1 81 ALA HA 3.200 . 6.000 4.832 4.336 5.828 . 0 0 "[ . 1 .]" 1
1434 1 27 LEU HA 1 27 LEU HB3 2.600 . 3.400 2.620 2.574 2.647 . 0 0 "[ . 1 .]" 1
1435 1 57 LYS QD 1 74 PHE QD 3.200 . 6.000 5.661 5.138 5.925 . 0 0 "[ . 1 .]" 1
1436 1 30 ASN HB3 1 32 THR MG 3.300 . 4.600 4.501 4.031 4.813 0.213 9 0 "[ . 1 .]" 1
1437 1 38 TYR QD 1 91 MET ME 3.400 . 4.900 3.580 2.810 4.348 . 0 0 "[ . 1 .]" 1
1438 1 61 PRO HA 1 67 GLY QA 3.400 . 4.800 3.528 2.235 4.546 . 0 0 "[ . 1 .]" 1
1439 1 59 PHE HA 1 60 PRO HG3 3.900 . 5.800 4.230 3.930 4.391 . 0 0 "[ . 1 .]" 1
1440 1 23 VAL MG2 1 24 GLU HA 3.400 . 6.000 5.375 5.224 5.464 . 0 0 "[ . 1 .]" 1
1441 1 48 ASN HB3 1 49 GLU QB 3.400 . 6.000 5.355 3.503 6.275 0.275 15 0 "[ . 1 .]" 1
1442 1 76 VAL QG 1 110 ALA MB 2.900 . 3.900 3.835 3.646 3.986 0.086 11 0 "[ . 1 .]" 1
1443 1 105 THR HA 1 105 THR HB 2.900 . 4.000 3.028 3.024 3.033 . 0 0 "[ . 1 .]" 1
1444 1 109 LYS H 1 109 LYS HB3 2.900 . 3.900 2.608 2.422 2.759 . 0 0 "[ . 1 .]" 1
1445 1 92 ARG HA 1 92 ARG HD3 3.400 . 4.900 4.529 4.336 4.638 . 0 0 "[ . 1 .]" 1
1446 1 37 TRP HB3 1 103 ARG HA 3.600 . 6.000 6.212 6.148 6.263 0.263 1 0 "[ . 1 .]" 1
1447 1 100 ASP HA 1 100 ASP HB3 3.000 . 4.100 2.986 2.623 3.034 . 0 0 "[ . 1 .]" 1
1448 1 105 THR H 1 105 THR HB 2.800 . 3.800 2.983 2.928 3.051 . 0 0 "[ . 1 .]" 1
1449 1 49 GLU HA 1 51 MET HA 3.500 . 6.000 6.009 5.723 6.286 0.286 6 0 "[ . 1 .]" 1
1450 1 46 SER HA 1 54 VAL QG 3.200 . 4.500 3.381 2.622 4.133 . 0 0 "[ . 1 .]" 1
1451 1 26 GLN HA 1 26 GLN HB2 2.500 . 3.300 2.340 2.282 2.380 . 0 0 "[ . 1 .]" 1
1452 1 8 LYS HA 1 27 LEU QD 2.700 . 3.600 2.200 2.093 2.423 . 0 0 "[ . 1 .]" 1
1453 1 25 ILE MD 1 74 PHE HB3 3.700 . 5.400 5.559 5.493 5.608 0.208 14 0 "[ . 1 .]" 1
1454 1 51 MET HA 1 51 MET ME 3.700 . 5.400 5.314 5.144 5.432 0.032 2 0 "[ . 1 .]" 1
1455 1 109 LYS H 1 109 LYS QG 3.600 . 5.300 4.022 3.914 4.087 . 0 0 "[ . 1 .]" 1
1456 1 11 ASN HB2 1 37 TRP HH2 3.200 . 4.500 4.543 4.451 4.655 0.155 15 0 "[ . 1 .]" 1
1457 1 51 MET ME 1 78 VAL HA 3.300 . 4.700 4.262 3.149 4.803 0.103 6 0 "[ . 1 .]" 1
1458 1 61 PRO QG 1 70 GLY HA2 3.100 . 4.300 2.772 1.335 3.872 0.565 5 1 "[ + 1 .]" 1
1459 1 92 ARG HB2 1 92 ARG HD3 2.900 . 4.000 3.417 2.906 3.792 . 0 0 "[ . 1 .]" 1
1460 1 13 ALA MB 1 108 LEU QB 3.300 . 5.600 4.845 4.603 5.317 . 0 0 "[ . 1 .]" 1
1461 1 88 LEU HB2 1 89 THR H 3.200 . 4.500 4.180 4.066 4.252 . 0 0 "[ . 1 .]" 1
1462 1 27 LEU HB3 1 37 TRP HE1 2.800 . 3.800 3.101 2.950 3.208 . 0 0 "[ . 1 .]" 1
1463 1 25 ILE MD 1 88 LEU QD 3.900 . 5.800 4.179 3.975 4.289 . 0 0 "[ . 1 .]" 1
1464 1 31 PRO HD3 1 32 THR MG 2.000 . 6.000 5.648 5.371 5.833 . 0 0 "[ . 1 .]" 1
1465 1 25 ILE HA 1 73 HIS QB 3.300 . 6.000 5.477 5.081 5.893 . 0 0 "[ . 1 .]" 1
1466 1 92 ARG HA 1 92 ARG HB3 2.700 . 3.600 2.808 2.626 2.931 . 0 0 "[ . 1 .]" 1
1467 1 61 PRO QG 1 68 ALA MB 3.700 . 5.400 4.645 1.806 5.271 0.194 8 0 "[ . 1 .]" 1
1468 1 108 LEU H 1 108 LEU QB 3.200 . 4.300 2.863 2.501 3.057 . 0 0 "[ . 1 .]" 1
1469 1 105 THR MG 1 107 TYR H 3.200 . 4.500 3.925 3.739 4.050 . 0 0 "[ . 1 .]" 1
1470 1 22 LEU QD 1 75 HIS HA 3.400 . 4.900 3.137 2.794 3.705 . 0 0 "[ . 1 .]" 1
1471 1 5 LYS HA 1 5 LYS QD 3.900 . 5.800 4.139 2.514 4.509 . 0 0 "[ . 1 .]" 1
1472 1 22 LEU QD 1 75 HIS HB2 3.700 . 5.400 3.427 3.185 3.594 . 0 0 "[ . 1 .]" 1
1473 1 28 PRO HA 1 28 PRO HG3 3.800 . 5.600 4.075 4.040 4.116 . 0 0 "[ . 1 .]" 1
1474 1 89 THR H 1 89 THR MG 3.700 . 5.500 3.827 3.814 3.839 . 0 0 "[ . 1 .]" 1
1475 1 43 THR HA 1 44 LYS HD2 3.600 . 5.300 4.464 3.170 5.174 . 0 0 "[ . 1 .]" 1
1476 1 94 TRP HB2 1 94 TRP HE3 4.200 . 6.000 4.120 4.094 4.143 . 0 0 "[ . 1 .]" 1
1477 1 92 ARG HA 1 92 ARG HB2 2.900 . 4.000 2.903 2.777 3.017 . 0 0 "[ . 1 .]" 1
1478 1 84 HIS HB2 1 109 LYS QG 3.900 . 6.000 5.659 5.392 5.933 . 0 0 "[ . 1 .]" 1
1479 1 88 LEU H 1 88 LEU HB3 2.900 . 3.900 3.677 3.651 3.714 . 0 0 "[ . 1 .]" 1
1480 1 49 GLU QB 1 53 THR MG 3.700 . 6.000 4.299 1.677 4.894 . 0 0 "[ . 1 .]" 1
1481 1 83 THR HA 1 109 LYS H 3.900 . 5.800 4.875 4.751 5.075 . 0 0 "[ . 1 .]" 1
1482 1 42 GLY HA2 1 91 MET ME 4.100 . 6.000 5.901 5.673 6.127 0.127 12 0 "[ . 1 .]" 1
1483 1 107 TYR H 1 107 TYR HB3 3.800 . 5.600 3.663 3.639 3.737 . 0 0 "[ . 1 .]" 1
1484 1 25 ILE HA 1 25 ILE HB 3.000 . 4.100 3.029 3.021 3.040 . 0 0 "[ . 1 .]" 1
1485 1 17 VAL H 1 17 VAL HB 3.500 . 5.100 3.832 3.786 3.879 . 0 0 "[ . 1 .]" 1
1486 1 103 ARG HA 1 103 ARG HD3 4.000 . 6.000 4.712 4.637 4.768 . 0 0 "[ . 1 .]" 1
1487 1 29 SER HA 1 37 TRP HE1 3.000 . 4.100 2.398 2.223 2.516 . 0 0 "[ . 1 .]" 1
1488 1 23 VAL H 1 76 VAL QG 3.200 . 4.500 3.479 3.219 3.958 . 0 0 "[ . 1 .]" 1
1489 1 40 GLU QG 1 43 THR HB 3.300 . 4.700 3.497 2.392 4.522 . 0 0 "[ . 1 .]" 1
1490 1 103 ARG HA 1 103 ARG HB2 2.900 . 3.900 2.581 2.533 2.633 . 0 0 "[ . 1 .]" 1
1491 1 15 LEU H 1 107 TYR HB2 3.900 . 5.800 3.820 3.559 4.166 . 0 0 "[ . 1 .]" 1
1492 1 48 ASN HA 1 49 GLU QB 3.900 . 5.800 4.964 4.533 5.246 . 0 0 "[ . 1 .]" 1
1493 1 56 ASN HA 1 57 LYS QD 3.700 . 5.400 3.948 2.610 4.772 . 0 0 "[ . 1 .]" 1
1494 1 11 ASN HA 1 13 ALA MB 3.500 . 5.100 5.079 4.724 5.146 0.046 3 0 "[ . 1 .]" 1
1495 1 27 LEU HB2 1 28 PRO HD3 4.300 . 6.000 4.769 4.625 4.878 . 0 0 "[ . 1 .]" 1
1496 1 38 TYR HB2 1 42 GLY HA3 4.600 . 6.000 5.697 4.843 6.519 0.519 9 1 "[ . +1 .]" 1
1497 1 38 TYR HB3 1 91 MET ME 4.300 . 6.000 4.779 3.449 5.857 . 0 0 "[ . 1 .]" 1
1498 1 54 VAL HA 1 77 THR H 3.200 . 4.500 2.723 2.451 3.431 . 0 0 "[ . 1 .]" 1
1499 1 91 MET HB3 1 93 PRO HA 4.000 . 6.000 5.286 4.427 6.139 0.139 9 0 "[ . 1 .]" 1
1500 1 106 VAL HA 1 107 TYR QD 3.500 . 5.100 4.120 3.743 4.356 . 0 0 "[ . 1 .]" 1
1501 1 10 HIS HD2 1 15 LEU QD 2.000 . 6.000 2.823 1.946 6.000 . 0 0 "[ . 1 .]" 1
1502 1 68 ALA MB 1 71 THR MG 3.500 . 6.000 6.167 5.697 7.026 1.026 3 1 "[ + . 1 .]" 1
1503 1 15 LEU H 1 107 TYR HB3 4.000 . 6.000 4.349 4.157 4.956 . 0 0 "[ . 1 .]" 1
1504 1 85 ALA MB 1 86 VAL HA 3.600 . 5.200 4.271 4.152 4.310 . 0 0 "[ . 1 .]" 1
1505 1 88 LEU HB2 1 104 PHE HB2 4.500 . 6.000 3.807 3.629 4.016 . 0 0 "[ . 1 .]" 1
1506 1 56 ASN HA 1 73 HIS QB 3.600 . 5.300 4.690 4.249 5.080 . 0 0 "[ . 1 .]" 1
1507 1 25 ILE MG 1 74 PHE HB3 4.000 . 6.000 4.192 3.918 4.508 . 0 0 "[ . 1 .]" 1
1508 1 43 THR HB 1 44 LYS QB 3.800 . 5.600 5.021 4.810 5.282 . 0 0 "[ . 1 .]" 1
1509 1 25 ILE HB 1 74 PHE QD 4.100 . 6.000 4.169 3.793 4.737 . 0 0 "[ . 1 .]" 1
1510 1 28 PRO QB 1 66 LEU QD 3.600 . 5.300 4.486 3.141 8.084 2.784 11 2 "[ . - 1+ .]" 1
1511 1 9 ALA MB 1 106 VAL MG2 4.500 . 6.000 6.053 5.797 6.139 0.139 3 0 "[ . 1 .]" 1
1512 1 24 GLU HA 1 25 ILE HB 3.800 . 5.700 4.539 4.387 4.663 . 0 0 "[ . 1 .]" 1
1513 1 47 PRO HA 1 47 PRO QD 3.600 . 5.200 3.446 3.340 3.492 . 0 0 "[ . 1 .]" 1
1514 1 24 GLU HA 1 24 GLU HG3 3.300 . 4.700 3.418 3.100 3.685 . 0 0 "[ . 1 .]" 1
1515 1 96 GLY HA2 1 97 PRO HG3 4.200 . 6.000 4.537 3.876 4.838 . 0 0 "[ . 1 .]" 1
1516 1 52 PHE HA 1 52 PHE HZ 4.000 . 6.000 5.704 5.594 5.852 . 0 0 "[ . 1 .]" 1
1517 1 8 LYS HA 1 27 LEU HA 3.500 . 5.000 3.655 3.475 3.902 . 0 0 "[ . 1 .]" 1
1518 1 62 ASP QB 1 65 LEU MD1 3.800 . 5.600 4.092 1.811 5.708 0.189 7 0 "[ . 1 .]" 1
1519 1 37 TRP HA 1 37 TRP HB3 2.900 . 4.000 2.467 2.445 2.484 . 0 0 "[ . 1 .]" 1
1520 1 7 THR HA 1 27 LEU QD 3.600 . 5.300 3.918 3.583 4.411 . 0 0 "[ . 1 .]" 1
1521 1 31 PRO HB2 1 31 PRO HD2 4.100 . 6.000 2.799 2.759 2.845 . 0 0 "[ . 1 .]" 1
1522 1 8 LYS HG3 1 9 ALA MB 4.000 . 6.000 4.569 4.323 4.763 . 0 0 "[ . 1 .]" 1
1523 1 62 ASP QB 1 65 LEU QB 3.400 . 4.800 2.835 1.796 3.860 0.204 6 0 "[ . 1 .]" 1
1524 1 105 THR HA 1 106 VAL HA 3.800 . 5.600 4.352 4.315 4.377 . 0 0 "[ . 1 .]" 1
1525 1 42 GLY HA3 1 91 MET ME 4.300 . 6.000 5.537 5.160 5.916 . 0 0 "[ . 1 .]" 1
1526 1 36 ALA HA 1 91 MET H 3.900 . 5.800 4.804 4.581 4.978 . 0 0 "[ . 1 .]" 1
1527 1 46 SER HA 1 47 PRO HG3 4.500 . 6.000 3.888 3.398 4.201 . 0 0 "[ . 1 .]" 1
1528 1 49 GLU QB 1 53 THR HA 3.500 . 5.000 2.635 1.841 4.372 0.159 5 0 "[ . 1 .]" 1
1529 1 89 THR HA 1 89 THR MG 3.200 . 4.500 2.276 2.251 2.306 . 0 0 "[ . 1 .]" 1
1530 1 84 HIS HB3 1 108 LEU H 3.300 . 4.700 3.481 3.150 3.791 . 0 0 "[ . 1 .]" 1
1531 1 14 THR HA 1 15 LEU QD 4.000 . 6.000 3.701 2.828 5.219 . 0 0 "[ . 1 .]" 1
1532 1 50 SER HA 1 51 MET HB3 3.900 . 5.800 5.269 4.849 5.742 . 0 0 "[ . 1 .]" 1
1533 1 93 PRO HB2 1 94 TRP HB2 4.100 . 6.000 5.530 5.266 5.714 . 0 0 "[ . 1 .]" 1
1534 1 52 PHE HB3 1 77 THR HB 3.400 . 4.800 4.032 3.710 4.894 0.094 14 0 "[ . 1 .]" 1
1535 1 19 VAL QG 1 20 GLY HA2 4.800 . 6.000 3.315 3.014 3.726 . 0 0 "[ . 1 .]" 1
1536 1 65 LEU QB 1 67 GLY QA 3.900 . 5.800 4.956 4.250 5.474 . 0 0 "[ . 1 .]" 1
1537 1 28 PRO HG3 1 71 THR MG 4.400 . 6.000 6.086 5.858 6.236 0.236 1 0 "[ . 1 .]" 1
1538 1 37 TRP HZ3 1 88 LEU HB2 4.500 . 6.000 3.680 3.470 3.835 . 0 0 "[ . 1 .]" 1
1539 1 22 LEU HG 1 75 HIS HB2 4.400 . 6.000 5.791 5.460 6.029 0.029 3 0 "[ . 1 .]" 1
1540 1 25 ILE MG 1 74 PHE HB2 3.200 . 4.500 3.092 2.711 3.316 . 0 0 "[ . 1 .]" 1
1541 1 87 ASN QB 1 105 THR MG 3.600 . 5.200 4.006 2.689 4.410 . 0 0 "[ . 1 .]" 1
1542 1 84 HIS HB2 1 108 LEU H 4.300 . 6.000 4.967 4.699 5.231 . 0 0 "[ . 1 .]" 1
1543 1 92 ARG HG3 1 93 PRO HG2 6.000 . 6.000 5.882 5.000 6.734 0.734 10 1 "[ . + .]" 1
1544 1 38 TYR HA 1 91 MET ME 2.200 . 6.000 6.026 5.030 6.301 0.301 15 0 "[ . 1 .]" 1
1545 1 57 LYS HB3 1 57 LYS HE3 4.000 . 6.000 3.838 2.917 5.004 . 0 0 "[ . 1 .]" 1
1546 1 57 LYS QD 1 75 HIS HA 4.100 . 6.000 5.145 4.732 5.844 . 0 0 "[ . 1 .]" 1
1547 1 17 VAL QG 1 108 LEU H 4.100 . 6.000 4.620 4.439 4.868 . 0 0 "[ . 1 .]" 1
1548 1 33 THR HB 1 35 PHE QE 4.000 . 6.000 4.766 2.817 6.014 0.014 3 0 "[ . 1 .]" 1
1549 1 7 THR MG 1 27 LEU QD 4.600 . 6.000 4.808 4.598 5.255 . 0 0 "[ . 1 .]" 1
1550 1 39 PHE HB3 1 88 LEU QD 4.200 . 6.000 3.788 3.671 3.950 . 0 0 "[ . 1 .]" 1
1551 1 28 PRO QB 1 71 THR HA 4.700 . 6.000 4.197 3.937 4.379 . 0 0 "[ . 1 .]" 1
1552 1 38 TYR H 1 91 MET ME 2.200 . 6.000 4.731 3.822 5.020 . 0 0 "[ . 1 .]" 1
1553 1 53 THR HA 1 54 VAL HB 4.000 . 6.000 4.582 4.073 5.906 . 0 0 "[ . 1 .]" 1
1554 1 74 PHE HB3 1 86 VAL QG 4.100 . 6.000 3.992 3.670 4.363 . 0 0 "[ . 1 .]" 1
1555 1 14 THR HA 1 15 LEU HB2 4.200 . 6.000 5.409 4.250 5.814 . 0 0 "[ . 1 .]" 1
1556 1 81 ALA MB 1 111 ASN HB2 4.400 . 6.000 3.263 2.835 4.453 . 0 0 "[ . 1 .]" 1
1557 1 52 PHE HB3 1 53 THR MG 4.200 . 6.000 4.695 4.358 5.526 . 0 0 "[ . 1 .]" 1
1558 1 7 THR HA 1 26 GLN HB3 3.400 . 4.900 3.475 3.199 3.812 . 0 0 "[ . 1 .]" 1
1559 1 27 LEU HB3 1 74 PHE QD 4.400 . 6.000 5.954 5.680 6.082 0.082 4 0 "[ . 1 .]" 1
1560 1 88 LEU QD 1 105 THR HA 4.400 . 6.000 5.056 4.971 5.209 . 0 0 "[ . 1 .]" 1
1561 1 12 GLY HA2 1 105 THR MG 3.700 . 5.400 4.378 4.295 4.477 . 0 0 "[ . 1 .]" 1
1562 1 38 TYR QE 1 93 PRO HB2 5.100 . 6.000 3.873 3.570 4.429 . 0 0 "[ . 1 .]" 1
1563 1 11 ASN HA 1 106 VAL MG2 3.900 . 5.800 5.345 4.286 5.642 . 0 0 "[ . 1 .]" 1
1564 1 51 MET ME 1 78 VAL MG2 4.200 . 6.000 3.180 2.224 4.256 . 0 0 "[ . 1 .]" 1
1565 1 57 LYS HB3 1 73 HIS QB 4.300 . 6.000 4.909 4.191 5.558 . 0 0 "[ . 1 .]" 1
1566 1 85 ALA HA 1 86 VAL HB 4.700 . 6.000 4.905 4.706 5.059 . 0 0 "[ . 1 .]" 1
1567 1 7 THR HB 1 9 ALA MB 4.100 . 6.000 4.314 3.966 4.664 . 0 0 "[ . 1 .]" 1
1568 1 87 ASN HA 1 106 VAL H 4.400 . 6.000 4.234 4.115 4.385 . 0 0 "[ . 1 .]" 1
1569 1 92 ARG HA 1 92 ARG HG3 3.200 . 4.500 2.594 2.359 2.950 . 0 0 "[ . 1 .]" 1
1570 1 5 LYS HA 1 25 ILE MG 4.900 . 6.000 5.773 5.634 6.052 0.052 3 0 "[ . 1 .]" 1
1571 1 104 PHE HB2 1 105 THR H 3.900 . 5.900 3.636 3.265 3.742 . 0 0 "[ . 1 .]" 1
1572 1 14 THR HA 1 15 LEU HB3 4.400 . 6.000 4.733 4.493 5.659 . 0 0 "[ . 1 .]" 1
1573 1 94 TRP HB2 1 94 TRP HD1 3.500 . 5.100 2.651 2.629 2.678 . 0 0 "[ . 1 .]" 1
1574 1 47 PRO QD 1 54 VAL QG 4.400 . 6.000 4.333 3.629 5.021 . 0 0 "[ . 1 .]" 1
1575 1 15 LEU QD 1 17 VAL H 4.100 . 6.000 4.658 3.766 5.672 . 0 0 "[ . 1 .]" 1
1576 1 37 TRP HZ3 1 87 ASN HA 5.100 . 6.000 6.121 6.053 6.173 0.173 8 0 "[ . 1 .]" 1
1577 1 92 ARG HB2 1 97 PRO HD3 3.500 . 5.000 2.816 2.140 4.026 . 0 0 "[ . 1 .]" 1
1578 1 92 ARG HB2 1 95 THR HB 5.400 . 6.000 5.770 5.268 6.049 0.049 6 0 "[ . 1 .]" 1
1579 1 37 TRP HD1 1 72 GLU HG2 4.500 . 6.000 4.807 4.584 5.105 . 0 0 "[ . 1 .]" 1
1580 1 8 LYS HA 1 25 ILE MG 4.300 . 6.000 5.952 5.705 6.160 0.160 12 0 "[ . 1 .]" 1
1581 1 14 THR HA 1 106 VAL HA 4.400 . 6.000 4.815 4.537 5.129 . 0 0 "[ . 1 .]" 1
1582 1 37 TRP HZ3 1 90 TYR HB2 3.600 . 5.200 3.334 3.001 3.787 . 0 0 "[ . 1 .]" 1
1583 1 14 THR HB 1 107 TYR HB2 4.600 . 6.000 4.153 3.999 4.508 . 0 0 "[ . 1 .]" 1
1584 1 16 THR HB 1 17 VAL QG 4.800 . 6.000 4.669 4.599 4.770 . 0 0 "[ . 1 .]" 1
1585 1 25 ILE MD 1 27 LEU QD 4.700 . 6.000 4.702 4.475 5.166 . 0 0 "[ . 1 .]" 1
1586 1 13 ALA MB 1 14 THR HA 4.100 . 6.000 3.741 3.590 3.856 . 0 0 "[ . 1 .]" 1
1587 1 14 THR HB 1 15 LEU H 4.500 . 6.000 4.322 4.242 4.409 . 0 0 "[ . 1 .]" 1
1588 1 9 ALA MB 1 10 HIS HE1 4.300 . 6.000 4.965 4.469 6.154 0.154 15 0 "[ . 1 .]" 1
1589 1 27 LEU HB3 1 28 PRO HD3 4.200 . 6.000 3.719 3.521 3.912 . 0 0 "[ . 1 .]" 1
1590 1 106 VAL HA 1 107 TYR HB2 4.900 . 6.000 4.512 4.395 4.668 . 0 0 "[ . 1 .]" 1
1591 1 78 VAL HA 1 79 LYS HA 4.200 . 6.000 4.383 4.339 4.417 . 0 0 "[ . 1 .]" 1
1592 1 39 PHE HA 1 89 THR H 4.100 . 6.000 2.868 2.732 2.990 . 0 0 "[ . 1 .]" 1
1593 1 12 GLY HA3 1 105 THR HB 2.400 . 6.000 5.629 5.373 5.920 . 0 0 "[ . 1 .]" 1
1594 1 68 ALA MB 1 69 GLY QA 4.400 . 6.000 3.447 3.328 3.626 . 0 0 "[ . 1 .]" 1
1595 1 39 PHE HB3 1 43 THR HA 4.600 . 6.000 6.045 5.909 6.122 0.122 13 0 "[ . 1 .]" 1
1596 1 27 LEU QD 1 28 PRO HG2 4.900 . 6.000 3.939 3.819 4.154 . 0 0 "[ . 1 .]" 1
1597 1 5 LYS HA 1 5 LYS QG 4.300 . 6.000 3.190 2.444 3.455 . 0 0 "[ . 1 .]" 1
1598 1 76 VAL QG 1 88 LEU QD 4.400 . 6.000 4.529 4.078 4.806 . 0 0 "[ . 1 .]" 1
1599 1 88 LEU H 1 105 THR MG 2.400 . 6.000 5.055 4.875 5.300 . 0 0 "[ . 1 .]" 1
1600 1 28 PRO HD3 1 37 TRP HZ2 5.000 . 6.000 5.986 5.696 6.061 0.061 8 0 "[ . 1 .]" 1
1601 1 35 PHE QE 1 92 ARG HG2 4.700 . 6.000 4.915 4.252 5.864 . 0 0 "[ . 1 .]" 1
1602 1 4 HIS HE1 1 17 VAL HA 4.600 . 6.000 5.963 5.627 6.122 0.122 12 0 "[ . 1 .]" 1
1603 1 103 ARG HD3 1 104 PHE H 4.900 . 6.000 4.924 4.672 5.044 . 0 0 "[ . 1 .]" 1
1604 1 38 TYR QD 1 42 GLY HA2 4.100 . 6.000 3.669 2.854 4.336 . 0 0 "[ . 1 .]" 1
1605 1 84 HIS HE1 1 85 ALA HA 4.800 . 6.000 6.002 5.769 6.069 0.069 2 0 "[ . 1 .]" 1
1606 1 27 LEU QD 1 88 LEU H 4.900 . 6.000 4.556 4.044 4.778 . 0 0 "[ . 1 .]" 1
1607 1 39 PHE HA 1 86 VAL QG 4.900 . 6.000 4.712 4.505 5.023 . 0 0 "[ . 1 .]" 1
1608 1 33 THR MG 1 35 PHE HA 5.200 . 6.000 4.615 3.815 5.720 . 0 0 "[ . 1 .]" 1
1609 1 89 THR HA 1 90 TYR HB2 5.200 . 6.000 4.279 4.031 4.392 . 0 0 "[ . 1 .]" 1
1610 1 8 LYS HA 1 27 LEU HG 5.100 . 6.000 4.849 3.800 5.392 . 0 0 "[ . 1 .]" 1
1611 1 27 LEU QD 1 28 PRO HG3 5.300 . 6.000 4.087 3.982 4.244 . 0 0 "[ . 1 .]" 1
1612 1 19 VAL HA 1 23 VAL HA 4.700 . 6.000 4.924 4.548 5.241 . 0 0 "[ . 1 .]" 1
1613 1 92 ARG HB3 1 97 PRO HD3 4.700 . 6.000 3.713 2.994 4.606 . 0 0 "[ . 1 .]" 1
1614 1 86 VAL HB 1 105 THR MG 4.600 . 6.000 4.886 4.680 5.997 . 0 0 "[ . 1 .]" 1
1615 1 27 LEU QD 1 104 PHE HA 5.100 . 6.000 4.155 3.895 4.312 . 0 0 "[ . 1 .]" 1
1616 1 45 GLU HG3 1 47 PRO QD 4.000 . 6.000 4.834 3.901 5.747 . 0 0 "[ . 1 .]" 1
1617 1 40 GLU HA 1 88 LEU QD 4.000 . 6.000 5.678 5.430 5.976 . 0 0 "[ . 1 .]" 1
1618 1 17 VAL H 1 109 LYS HB3 5.200 . 6.000 2.891 2.728 3.150 . 0 0 "[ . 1 .]" 1
1619 1 37 TRP HB2 1 88 LEU HB3 5.400 . 6.000 4.591 4.365 4.716 . 0 0 "[ . 1 .]" 1
1620 1 25 ILE MD 1 86 VAL HA 5.300 . 6.000 5.394 5.092 5.817 . 0 0 "[ . 1 .]" 1
1621 1 24 GLU HA 1 25 ILE MD 4.800 . 6.000 4.372 4.151 4.593 . 0 0 "[ . 1 .]" 1
1622 1 37 TRP HB3 1 88 LEU QD 3.900 . 5.800 3.220 2.881 3.324 . 0 0 "[ . 1 .]" 1
1623 1 88 LEU HG 1 104 PHE HB2 5.700 . 6.000 5.749 5.476 5.930 . 0 0 "[ . 1 .]" 1
1624 1 8 LYS HA 1 104 PHE HB2 4.400 . 6.000 4.873 4.511 5.313 . 0 0 "[ . 1 .]" 1
1625 1 46 SER HA 1 49 GLU QB 4.300 . 6.000 4.744 4.301 5.938 . 0 0 "[ . 1 .]" 1
1626 1 26 GLN HG2 1 73 HIS HA 4.500 . 6.000 3.182 3.012 3.344 . 0 0 "[ . 1 .]" 1
1627 1 109 LYS H 1 109 LYS HD3 5.200 . 6.000 5.329 4.960 6.131 0.131 7 0 "[ . 1 .]" 1
1628 1 94 TRP HD1 1 95 THR HA 5.200 . 6.000 4.916 4.673 5.143 . 0 0 "[ . 1 .]" 1
1629 1 19 VAL HA 1 110 ALA MB 4.400 . 6.000 5.202 5.034 5.618 . 0 0 "[ . 1 .]" 1
1630 1 39 PHE HA 1 87 ASN QB 5.000 . 6.000 5.029 4.614 5.739 . 0 0 "[ . 1 .]" 1
1631 1 87 ASN HA 1 88 LEU QD 5.200 . 6.000 4.429 4.377 4.473 . 0 0 "[ . 1 .]" 1
1632 1 25 ILE MG 1 73 HIS HA 4.500 . 6.000 4.769 4.152 5.030 . 0 0 "[ . 1 .]" 1
1633 1 28 PRO HD2 1 37 TRP HE1 4.300 . 6.000 3.620 3.286 3.809 . 0 0 "[ . 1 .]" 1
1634 1 13 ALA MB 1 107 TYR QD 4.900 . 6.000 4.967 4.701 5.306 . 0 0 "[ . 1 .]" 1
1635 1 13 ALA MB 1 15 LEU H 4.500 . 6.000 4.280 4.067 4.505 . 0 0 "[ . 1 .]" 1
1636 1 36 ALA HA 1 37 TRP HD1 4.800 . 6.000 4.222 3.929 4.445 . 0 0 "[ . 1 .]" 1
1637 1 89 THR HB 1 103 ARG HA 5.500 . 6.000 5.220 5.126 5.351 . 0 0 "[ . 1 .]" 1
1638 1 8 LYS QD 1 11 ASN HA 5.200 . 6.000 4.559 4.398 5.792 . 0 0 "[ . 1 .]" 1
1639 1 29 SER QB 1 72 GLU HB3 5.300 . 6.000 4.636 4.430 5.107 . 0 0 "[ . 1 .]" 1
1640 1 26 GLN HG3 1 73 HIS HA 5.800 . 6.000 3.918 3.493 4.146 . 0 0 "[ . 1 .]" 1
1641 1 7 THR HA 1 9 ALA MB 5.300 . 6.000 5.716 5.530 5.896 . 0 0 "[ . 1 .]" 1
1642 1 59 PHE QB 1 70 GLY HA3 5.200 . 6.000 5.457 4.401 5.996 . 0 0 "[ . 1 .]" 1
1643 1 25 ILE MD 1 107 TYR H 5.600 . 6.000 6.090 6.023 6.127 0.127 8 0 "[ . 1 .]" 1
1644 1 35 PHE HA 1 91 MET H 4.900 . 6.000 3.966 3.801 4.165 . 0 0 "[ . 1 .]" 1
1645 1 87 ASN HA 1 88 LEU HB3 5.200 . 6.000 5.698 5.636 5.756 . 0 0 "[ . 1 .]" 1
1646 1 25 ILE MD 1 76 VAL H 5.100 . 6.000 5.338 5.060 5.544 . 0 0 "[ . 1 .]" 1
1647 1 92 ARG HA 1 93 PRO HB2 6.000 . 6.000 5.381 5.080 5.478 . 0 0 "[ . 1 .]" 1
1648 1 34 GLY QA 1 92 ARG HD3 5.800 . 6.000 3.335 2.404 4.441 . 0 0 "[ . 1 .]" 1
1649 1 22 LEU HG 1 75 HIS HA 5.000 . 6.000 4.629 4.249 5.889 . 0 0 "[ . 1 .]" 1
1650 1 86 VAL HA 1 87 ASN HA 5.200 . 6.000 4.396 4.375 4.412 . 0 0 "[ . 1 .]" 1
1651 1 18 ALA HA 1 19 VAL HA 5.500 . 6.000 4.389 4.374 4.400 . 0 0 "[ . 1 .]" 1
1652 1 22 LEU HB2 1 23 VAL H 5.800 . 6.000 4.134 3.896 4.439 . 0 0 "[ . 1 .]" 1
1653 1 36 ALA H 1 92 ARG HA 4.900 . 6.000 3.575 3.397 3.967 . 0 0 "[ . 1 .]" 1
1654 1 56 ASN HA 1 57 LYS HG3 5.000 . 6.000 4.431 2.792 6.493 0.493 10 0 "[ . 1 .]" 1
1655 1 61 PRO HB2 1 67 GLY QA 4.800 . 6.000 3.089 1.176 4.803 0.724 1 1 "[+ . 1 .]" 1
1656 1 92 ARG HG3 1 96 GLY HA2 5.400 . 6.000 4.596 3.381 5.083 . 0 0 "[ . 1 .]" 1
1657 1 92 ARG HG3 1 93 PRO HD3 5.900 . 6.000 5.002 4.635 5.464 . 0 0 "[ . 1 .]" 1
1658 1 56 ASN HB3 1 74 PHE HA 5.100 . 6.000 3.891 3.341 4.315 . 0 0 "[ . 1 .]" 1
1659 1 89 THR H 1 91 MET ME 2.900 . 6.000 5.122 4.981 5.242 . 0 0 "[ . 1 .]" 1
1660 1 11 ASN HA 1 88 LEU QD 5.900 . 6.000 5.906 5.855 6.069 0.069 15 0 "[ . 1 .]" 1
1661 1 35 PHE HA 1 91 MET QG 5.800 . 6.000 5.349 5.202 5.507 . 0 0 "[ . 1 .]" 1
1662 1 51 MET QG 1 78 VAL HA 5.800 . 6.000 4.758 4.496 5.013 . 0 0 "[ . 1 .]" 1
1663 1 35 PHE QB 1 90 TYR QD 4.900 . 6.000 2.623 2.106 3.188 . 0 0 "[ . 1 .]" 1
1664 1 27 LEU HB2 1 72 GLU HB3 5.500 . 6.000 4.248 3.828 4.866 . 0 0 "[ . 1 .]" 1
1665 1 49 GLU HG3 1 50 SER HA 5.100 . 6.000 4.530 3.813 6.103 0.103 14 0 "[ . 1 .]" 1
1666 1 81 ALA HA 1 111 ASN HB3 4.600 . 6.000 2.022 1.562 2.557 0.438 12 0 "[ . 1 .]" 1
1667 1 57 LYS QD 1 73 HIS HA 6.000 . 6.000 4.277 4.042 4.598 . 0 0 "[ . 1 .]" 1
1668 1 61 PRO QG 1 70 GLY HA3 5.500 . 6.000 3.336 2.463 5.238 . 0 0 "[ . 1 .]" 1
1669 1 45 GLU HG3 1 46 SER HA 4.900 . 6.000 4.698 3.825 5.576 . 0 0 "[ . 1 .]" 1
1670 1 18 ALA HA 1 111 ASN HB2 5.200 . 6.000 5.590 4.704 6.097 0.097 6 0 "[ . 1 .]" 1
1671 1 23 VAL HB 1 110 ALA HA 3.200 . 6.000 5.580 5.314 5.830 . 0 0 "[ . 1 .]" 1
1672 1 20 GLY HA2 1 79 LYS QB 5.500 . 6.000 2.194 1.623 3.259 0.077 14 0 "[ . 1 .]" 1
1673 1 24 GLU HA 1 75 HIS HA 2.200 . 2.800 2.205 1.984 2.513 . 0 0 "[ . 1 .]" 1
1674 1 52 PHE HA 1 78 VAL HA 3.200 . 4.500 4.284 4.096 4.403 . 0 0 "[ . 1 .]" 1
1675 1 46 SER HA 1 84 HIS HE1 3.800 . 5.600 3.975 3.684 4.458 . 0 0 "[ . 1 .]" 1
1676 1 84 HIS HE1 1 88 LEU HG 5.300 . 6.000 6.125 6.061 6.187 0.187 4 0 "[ . 1 .]" 1
1677 1 10 HIS HE1 1 25 ILE MD 4.100 . 6.000 6.203 5.702 6.273 0.273 9 0 "[ . 1 .]" 1
1678 1 39 PHE QD 1 44 LYS HA 2.100 . 2.600 2.223 1.667 2.669 0.069 4 0 "[ . 1 .]" 1
1679 1 39 PHE QD 1 54 VAL QG 3.600 . 5.200 4.001 3.494 5.107 . 0 0 "[ . 1 .]" 1
1680 1 39 PHE QD 1 86 VAL QG 3.600 . 5.200 3.987 3.782 4.166 . 0 0 "[ . 1 .]" 1
1681 1 39 PHE QD 1 88 LEU H 4.600 . 6.000 5.354 4.877 5.649 . 0 0 "[ . 1 .]" 1
1682 1 107 TYR H 1 107 TYR QD 2.600 . 3.400 2.994 2.711 3.151 . 0 0 "[ . 1 .]" 1
1683 1 52 PHE QD 1 76 VAL QG 4.100 . 6.000 5.552 4.953 5.852 . 0 0 "[ . 1 .]" 1
1684 1 38 TYR QD 1 39 PHE HB2 6.000 . 6.000 5.045 4.766 5.620 . 0 0 "[ . 1 .]" 1
1685 1 90 TYR H 1 90 TYR QD 4.300 . 6.000 4.203 4.153 4.248 . 0 0 "[ . 1 .]" 1
1686 1 90 TYR HB3 1 90 TYR QD 2.200 . 2.800 2.395 2.283 2.665 . 0 0 "[ . 1 .]" 1
1687 1 36 ALA MB 1 90 TYR QD 4.400 . 6.000 4.108 3.860 4.334 . 0 0 "[ . 1 .]" 1
1688 1 90 TYR HB2 1 90 TYR QD 2.600 . 3.400 2.566 2.390 2.750 . 0 0 "[ . 1 .]" 1
1689 1 44 LYS QB 1 74 PHE QD 2.900 . 4.000 2.642 2.355 3.128 . 0 0 "[ . 1 .]" 1
1690 1 35 PHE QE 1 97 PRO QB 3.400 . 4.900 3.515 2.548 4.363 . 0 0 "[ . 1 .]" 1
1691 1 39 PHE HZ 1 46 SER HA 3.000 . 4.100 4.035 3.620 4.238 0.138 6 0 "[ . 1 .]" 1
1692 1 39 PHE HZ 1 86 VAL HB 3.500 . 5.100 5.013 3.399 5.233 0.133 14 0 "[ . 1 .]" 1
1693 1 94 TRP HB3 1 94 TRP HD1 3.400 . 4.800 3.803 3.787 3.822 . 0 0 "[ . 1 .]" 1
1694 1 39 PHE QE 1 46 SER HA 3.600 . 5.200 4.403 4.133 4.645 . 0 0 "[ . 1 .]" 1
1695 1 39 PHE QE 1 47 PRO QD 4.100 . 6.000 4.385 3.934 4.697 . 0 0 "[ . 1 .]" 1
1696 1 39 PHE QE 1 44 LYS QB 4.700 . 6.000 3.080 2.397 3.747 . 0 0 "[ . 1 .]" 1
1697 1 39 PHE QE 1 54 VAL QG 2.900 . 4.000 2.974 2.235 4.114 0.114 14 0 "[ . 1 .]" 1
1698 1 29 SER HA 1 37 TRP HD1 5.600 . 6.000 1.565 1.433 1.667 . 0 0 "[ . 1 .]" 1
1699 1 37 TRP HD1 1 58 TYR QB 6.000 . 6.000 5.544 5.158 5.869 . 0 0 "[ . 1 .]" 1
1700 1 37 TRP HD1 1 72 GLU HB3 3.900 . 5.800 4.205 3.856 4.468 . 0 0 "[ . 1 .]" 1
1701 1 34 GLY QA 1 94 TRP HH2 3.400 . 4.500 2.791 2.033 3.700 . 0 0 "[ . 1 .]" 1
1702 1 92 ARG HD3 1 94 TRP HH2 3.800 . 5.600 4.462 4.057 5.372 . 0 0 "[ . 1 .]" 1
1703 1 92 ARG HG3 1 94 TRP HH2 4.200 . 6.000 4.649 4.251 5.176 . 0 0 "[ . 1 .]" 1
1704 1 37 TRP HH2 1 104 PHE HB2 2.700 . 3.600 2.531 2.370 2.694 . 0 0 "[ . 1 .]" 1
1705 1 27 LEU QD 1 37 TRP HH2 4.300 . 6.000 3.633 3.359 3.769 . 0 0 "[ . 1 .]" 1
1706 1 92 ARG HA 1 94 TRP HZ3 6.000 . 6.000 4.815 4.193 5.371 . 0 0 "[ . 1 .]" 1
1707 1 93 PRO HD3 1 94 TRP HZ3 3.900 . 5.800 4.480 4.129 4.898 . 0 0 "[ . 1 .]" 1
1708 1 93 PRO HG3 1 94 TRP HZ3 4.300 . 6.000 3.359 3.129 3.677 . 0 0 "[ . 1 .]" 1
1709 1 37 TRP HE3 1 88 LEU H 3.600 . 5.200 4.686 4.496 4.785 . 0 0 "[ . 1 .]" 1
1710 1 37 TRP HA 1 37 TRP HE3 2.800 . 3.800 2.984 2.802 3.111 . 0 0 "[ . 1 .]" 1
1711 1 37 TRP HE3 1 88 LEU HB3 2.400 . 3.100 2.770 2.639 2.874 . 0 0 "[ . 1 .]" 1
1712 1 94 TRP HA 1 94 TRP HE3 4.300 . 6.000 4.105 4.057 4.181 . 0 0 "[ . 1 .]" 1
1713 1 94 TRP HB3 1 94 TRP HE3 2.400 . 3.100 2.591 2.553 2.631 . 0 0 "[ . 1 .]" 1
1714 1 93 PRO HG3 1 94 TRP HE3 3.700 . 5.400 3.762 3.567 4.148 . 0 0 "[ . 1 .]" 1
1715 1 10 HIS HD2 1 106 VAL HA 5.100 . 6.000 5.247 4.490 5.549 . 0 0 "[ . 1 .]" 1
1716 1 4 HIS HD2 1 25 ILE HA 5.000 . 6.000 5.834 5.468 6.050 0.050 6 0 "[ . 1 .]" 1
1717 1 4 HIS HD2 1 17 VAL HB 3.000 . 4.100 3.593 2.998 4.129 0.029 7 0 "[ . 1 .]" 1
1718 1 4 HIS HD2 1 110 ALA MB 5.600 . 6.000 5.034 4.561 5.378 . 0 0 "[ . 1 .]" 1
1719 1 38 TYR H 1 38 TYR QE 3.400 . 6.000 4.857 3.965 5.392 . 0 0 "[ . 1 .]" 1
1720 1 36 ALA H 1 38 TYR QE 3.500 . 6.000 4.250 3.176 4.885 . 0 0 "[ . 1 .]" 1
1721 1 38 TYR QE 1 42 GLY HA3 3.200 . 6.000 5.043 4.212 5.616 . 0 0 "[ . 1 .]" 1
1722 1 35 PHE QB 1 90 TYR QE 3.600 . 5.200 2.458 1.908 3.248 0.092 4 0 "[ . 1 .]" 1
1723 1 90 TYR QE 1 102 GLU HB3 2.100 . 6.000 4.604 4.066 5.077 . 0 0 "[ . 1 .]" 1
1724 1 32 THR MG 1 90 TYR QE 2.800 . 3.800 1.896 1.679 2.182 0.121 9 0 "[ . 1 .]" 1
1725 1 34 GLY QA 1 94 TRP HZ2 3.300 . 4.700 3.353 2.732 4.171 . 0 0 "[ . 1 .]" 1
1726 1 92 ARG HD3 1 94 TRP HZ2 2.700 . 3.600 2.792 2.319 3.612 0.012 13 0 "[ . 1 .]" 1
1727 1 27 LEU HB2 1 37 TRP HZ2 3.700 . 6.000 5.997 5.920 6.061 0.061 4 0 "[ . 1 .]" 1
1728 1 37 TRP HZ2 1 104 PHE HB2 5.800 . 6.000 4.443 4.255 4.720 . 0 0 "[ . 1 .]" 1
1729 1 84 HIS HA 1 85 ALA H 2.000 . 2.500 2.191 2.161 2.214 . 0 0 "[ . 1 .]" 1
1730 1 83 THR HA 1 84 HIS H 1.900 . 2.400 2.180 2.148 2.226 . 0 0 "[ . 1 .]" 1
1731 1 74 PHE HA 1 75 HIS H 2.000 . 2.500 2.179 2.130 2.232 . 0 0 "[ . 1 .]" 1
1732 1 57 LYS HA 1 58 TYR H 2.200 . 2.800 2.136 2.081 2.201 . 0 0 "[ . 1 .]" 1
1733 1 17 VAL H 1 108 LEU HA 2.900 . 6.000 4.865 4.593 4.961 . 0 0 "[ . 1 .]" 1
1734 1 29 SER QB 1 70 GLY H 2.700 . 6.000 4.028 2.022 5.140 . 0 0 "[ . 1 .]" 1
1735 1 69 GLY H 1 70 GLY HA2 2.700 . 6.000 4.448 3.880 5.159 . 0 0 "[ . 1 .]" 1
1736 1 102 GLU HA 1 103 ARG H 2.300 . 3.000 2.535 2.295 2.647 . 0 0 "[ . 1 .]" 1
1737 1 79 LYS H 1 79 LYS QD 2.200 . 2.800 2.230 1.822 2.736 . 0 0 "[ . 1 .]" 1
1738 1 67 GLY H 1 69 GLY QA 2.900 . 6.000 5.392 4.460 5.978 . 0 0 "[ . 1 .]" 1
1739 1 26 GLN HA 1 27 LEU H 1.900 . 2.400 2.136 2.079 2.189 . 0 0 "[ . 1 .]" 1
1740 1 77 THR HA 1 78 VAL H 2.200 . 2.800 2.163 2.129 2.240 . 0 0 "[ . 1 .]" 1
1741 1 22 LEU HA 1 23 VAL H 2.200 . 2.800 2.211 2.156 2.346 . 0 0 "[ . 1 .]" 1
1742 1 4 HIS H 1 4 HIS HA 2.400 . 3.100 2.863 2.269 2.946 . 0 0 "[ . 1 .]" 1
1743 1 81 ALA HA 1 82 GLY H 2.200 . 2.800 2.191 2.124 2.329 . 0 0 "[ . 1 .]" 1
1744 1 4 HIS HA 1 5 LYS H 2.400 . 3.100 2.246 2.172 2.305 . 0 0 "[ . 1 .]" 1
1745 1 40 GLU HA 1 41 GLY H 2.500 . 3.300 3.224 3.036 3.358 0.058 2 0 "[ . 1 .]" 1
1746 1 109 LYS HA 1 110 ALA H 2.100 . 2.700 2.151 2.124 2.188 . 0 0 "[ . 1 .]" 1
1747 1 85 ALA H 1 85 ALA MB 2.400 . 3.100 2.344 2.334 2.361 . 0 0 "[ . 1 .]" 1
1748 1 25 ILE H 1 25 ILE HB 2.200 . 2.800 2.692 2.590 2.749 . 0 0 "[ . 1 .]" 1
1749 1 49 GLU H 1 49 GLU QB 2.400 . 3.100 2.649 2.221 2.967 . 0 0 "[ . 1 .]" 1
1750 1 62 ASP H 1 62 ASP HA 2.500 . 3.300 2.827 2.282 2.948 . 0 0 "[ . 1 .]" 1
1751 1 65 LEU H 1 65 LEU QB 2.500 . 3.300 2.514 2.162 2.950 . 0 0 "[ . 1 .]" 1
1752 1 86 VAL H 1 86 VAL HB 2.400 . 3.100 2.871 2.758 3.010 . 0 0 "[ . 1 .]" 1
1753 1 55 GLU HB3 1 56 ASN H 2.700 . 3.600 3.928 3.370 4.206 0.606 4 5 "[ **+. - * .]" 1
1754 1 95 THR H 1 96 GLY H 2.200 . 2.800 2.546 2.210 2.843 0.043 2 0 "[ . 1 .]" 1
1755 1 21 GLU H 1 21 GLU HG2 2.500 . 3.300 2.886 2.035 3.349 0.049 5 0 "[ . 1 .]" 1
1756 1 5 LYS HA 1 6 VAL H 2.200 . 2.800 2.218 2.161 2.280 . 0 0 "[ . 1 .]" 1
1757 1 46 SER H 1 46 SER HA 2.300 . 3.000 2.955 2.937 2.969 . 0 0 "[ . 1 .]" 1
1758 1 88 LEU HA 1 89 THR H 2.300 . 3.000 2.160 2.125 2.204 . 0 0 "[ . 1 .]" 1
1759 1 6 VAL MG2 1 106 VAL H 3.300 . 6.000 4.686 4.596 4.840 . 0 0 "[ . 1 .]" 1
1760 1 24 GLU H 1 24 GLU HG3 2.400 . 3.100 3.195 2.581 3.977 0.877 13 2 "[ . 1 + -]" 1
1761 1 63 SER HA 1 66 LEU H 1.600 . 6.000 5.489 4.510 6.181 0.181 15 0 "[ . 1 .]" 1
1762 1 13 ALA H 1 13 ALA MB 2.400 . 3.100 2.345 2.285 2.401 . 0 0 "[ . 1 .]" 1
1763 1 34 GLY H 1 92 ARG HA 3.200 . 6.000 5.595 5.292 5.986 . 0 0 "[ . 1 .]" 1
1764 1 108 LEU HA 1 109 LYS H 2.400 . 3.100 2.318 2.275 2.415 . 0 0 "[ . 1 .]" 1
1765 1 44 LYS H 1 45 GLU HB2 3.000 . 6.000 6.295 6.170 6.409 0.409 7 0 "[ . 1 .]" 1
1766 1 58 TYR HA 1 59 PHE H 2.300 . 2.900 2.156 2.062 2.294 . 0 0 "[ . 1 .]" 1
1767 1 96 GLY HA2 1 100 ASP H 2.600 . 6.000 6.188 6.096 6.317 0.317 9 0 "[ . 1 .]" 1
1768 1 68 ALA H 1 68 ALA MB 2.600 . 3.500 2.509 2.197 3.003 . 0 0 "[ . 1 .]" 1
1769 1 39 PHE HA 1 40 GLU H 2.400 . 6.000 3.550 3.530 3.575 . 0 0 "[ . 1 .]" 1
1770 1 8 LYS H 1 8 LYS HB2 2.100 . 2.600 2.404 2.362 2.444 . 0 0 "[ . 1 .]" 1
1771 1 25 ILE HA 1 26 GLN H 2.300 . 2.900 2.241 2.209 2.286 . 0 0 "[ . 1 .]" 1
1772 1 29 SER HA 1 30 ASN H 2.500 . 3.300 3.517 3.501 3.530 0.230 12 0 "[ . 1 .]" 1
1773 1 109 LYS QG 1 110 ALA H 2.800 . 3.800 2.751 2.479 3.021 . 0 0 "[ . 1 .]" 1
1774 1 16 THR MG 1 109 LYS H 3.200 . 4.500 3.774 3.500 4.082 . 0 0 "[ . 1 .]" 1
1775 1 85 ALA MB 1 86 VAL H 2.900 . 4.000 3.269 3.057 3.418 . 0 0 "[ . 1 .]" 1
1776 1 22 LEU H 1 22 LEU HB2 2.700 . 3.600 3.490 2.977 3.566 . 0 0 "[ . 1 .]" 1
1777 1 9 ALA H 1 9 ALA MB 2.600 . 3.400 2.238 2.213 2.251 . 0 0 "[ . 1 .]" 1
1778 1 27 LEU H 1 27 LEU HB2 2.100 . 2.700 2.457 2.358 2.566 . 0 0 "[ . 1 .]" 1
1779 1 19 VAL QG 1 20 GLY H 3.300 . 4.700 2.402 1.338 2.883 0.562 9 2 "[ . +1 - .]" 1
1780 1 20 GLY H 1 21 GLU H 2.500 . 3.300 3.063 2.479 3.309 0.009 14 0 "[ . 1 .]" 1
1781 1 79 LYS H 1 80 ALA H 2.900 . 3.900 3.924 3.876 4.004 0.104 13 0 "[ . 1 .]" 1
1782 1 45 GLU HB3 1 46 SER H 3.500 . 5.000 3.884 3.614 4.233 . 0 0 "[ . 1 .]" 1
1783 1 35 PHE HA 1 36 ALA H 2.400 . 3.100 2.216 2.103 2.461 . 0 0 "[ . 1 .]" 1
1784 1 90 TYR HA 1 91 MET H 2.300 . 3.000 2.262 2.204 2.316 . 0 0 "[ . 1 .]" 1
1785 1 78 VAL H 1 78 VAL HB 2.700 . 3.600 3.435 3.362 3.545 . 0 0 "[ . 1 .]" 1
1786 1 36 ALA MB 1 37 TRP H 2.700 . 3.600 2.581 2.417 2.793 . 0 0 "[ . 1 .]" 1
1787 1 17 VAL HB 1 18 ALA H 2.600 . 3.400 2.730 2.589 2.893 . 0 0 "[ . 1 .]" 1
1788 1 22 LEU QD 1 77 THR H 2.700 . 3.600 3.547 3.345 3.650 0.050 4 0 "[ . 1 .]" 1
1789 1 6 VAL H 1 25 ILE MD 2.800 . 3.800 2.956 2.715 3.245 . 0 0 "[ . 1 .]" 1
1790 1 13 ALA MB 1 14 THR H 2.600 . 3.500 2.602 2.445 2.815 . 0 0 "[ . 1 .]" 1
1791 1 7 THR HB 1 8 LYS H 2.400 . 3.100 2.272 2.163 2.547 . 0 0 "[ . 1 .]" 1
1792 1 47 PRO QD 1 48 ASN H 2.800 . 6.000 3.857 2.523 4.983 . 0 0 "[ . 1 .]" 1
1793 1 45 GLU HA 1 46 SER H 2.600 . 3.400 2.284 2.186 2.381 . 0 0 "[ . 1 .]" 1
1794 1 33 THR MG 1 34 GLY H 2.600 . 3.400 2.296 1.679 3.471 0.121 8 0 "[ . 1 .]" 1
1795 1 38 TYR HA 1 39 PHE H 2.400 . 3.100 2.510 2.300 2.636 . 0 0 "[ . 1 .]" 1
1796 1 21 GLU H 1 21 GLU HA 2.700 . 3.600 2.879 2.843 2.928 . 0 0 "[ . 1 .]" 1
1797 1 63 SER HA 1 65 LEU H 3.200 . 6.000 4.455 3.376 5.999 . 0 0 "[ . 1 .]" 1
1798 1 20 GLY H 1 20 GLY HA3 2.800 . 3.800 2.954 2.947 2.959 . 0 0 "[ . 1 .]" 1
1799 1 76 VAL H 1 76 VAL HB 2.900 . 4.000 3.639 2.586 3.913 . 0 0 "[ . 1 .]" 1
1800 1 8 LYS H 1 26 GLN HG2 3.300 . 6.000 5.897 5.663 6.110 0.110 11 0 "[ . 1 .]" 1
1801 1 59 PHE H 1 59 PHE QB 2.500 . 3.300 2.564 2.440 2.688 . 0 0 "[ . 1 .]" 1
1802 1 96 GLY HA2 1 101 SER H 2.600 . 6.000 5.785 5.247 6.063 0.063 5 0 "[ . 1 .]" 1
1803 1 57 LYS H 1 57 LYS HB3 2.800 . 3.800 3.521 2.774 3.839 0.039 14 0 "[ . 1 .]" 1
1804 1 78 VAL H 1 78 VAL MG2 3.200 . 4.500 3.937 3.902 3.971 . 0 0 "[ . 1 .]" 1
1805 1 51 MET H 1 51 MET HB3 2.800 . 3.800 3.174 2.712 3.632 . 0 0 "[ . 1 .]" 1
1806 1 64 LYS H 1 64 LYS HA 2.700 . 3.600 2.913 2.866 2.945 . 0 0 "[ . 1 .]" 1
1807 1 48 ASN HB3 1 48 ASN HD21 2.900 . 4.000 2.726 2.222 3.005 . 0 0 "[ . 1 .]" 1
1808 1 86 VAL H 1 105 THR MG 2.800 . 3.800 3.768 3.521 3.845 0.045 14 0 "[ . 1 .]" 1
1809 1 61 PRO QG 1 62 ASP H 3.100 . 4.300 3.792 2.922 4.375 0.075 12 0 "[ . 1 .]" 1
1810 1 45 GLU H 1 45 GLU HA 2.700 . 3.600 2.930 2.915 2.943 . 0 0 "[ . 1 .]" 1
1811 1 103 ARG HB3 1 104 PHE H 3.000 . 4.100 3.776 3.668 3.895 . 0 0 "[ . 1 .]" 1
1812 1 64 LYS H 1 65 LEU H 2.400 . 3.100 2.200 1.670 2.607 0.030 1 0 "[ . 1 .]" 1
1813 1 57 LYS HB3 1 58 TYR H 3.500 . 5.000 4.263 3.987 4.605 . 0 0 "[ . 1 .]" 1
1814 1 42 GLY H 1 42 GLY HA3 3.000 . 4.100 2.867 2.790 2.916 . 0 0 "[ . 1 .]" 1
1815 1 42 GLY H 1 42 GLY HA2 2.600 . 3.400 2.314 2.294 2.344 . 0 0 "[ . 1 .]" 1
1816 1 51 MET HB3 1 52 PHE H 3.300 . 4.700 3.910 3.728 4.073 . 0 0 "[ . 1 .]" 1
1817 1 83 THR MG 1 84 HIS H 3.200 . 4.400 2.496 2.295 2.639 . 0 0 "[ . 1 .]" 1
1818 1 51 MET QG 1 53 THR H 3.600 . 6.000 5.705 5.205 5.843 . 0 0 "[ . 1 .]" 1
1819 1 59 PHE H 1 59 PHE QD 3.000 . 4.100 3.175 2.546 4.279 0.179 12 0 "[ . 1 .]" 1
1820 1 72 GLU H 1 72 GLU HB3 3.400 . 4.800 3.697 3.653 3.749 . 0 0 "[ . 1 .]" 1
1821 1 37 TRP H 1 37 TRP HB3 3.500 . 5.000 3.675 3.653 3.693 . 0 0 "[ . 1 .]" 1
1822 1 111 ASN H 1 111 ASN HB2 3.000 . 4.100 4.018 2.960 4.150 0.050 5 0 "[ . 1 .]" 1
1823 1 54 VAL H 1 54 VAL HB 3.000 . 4.100 2.949 2.561 3.949 . 0 0 "[ . 1 .]" 1
1824 1 12 GLY H 1 13 ALA H 2.900 . 3.900 2.905 2.760 3.060 . 0 0 "[ . 1 .]" 1
1825 1 42 GLY H 1 43 THR H 2.800 . 3.800 2.661 2.535 2.890 . 0 0 "[ . 1 .]" 1
1826 1 7 THR MG 1 27 LEU H 3.900 . 5.800 5.640 5.489 5.799 . 0 0 "[ . 1 .]" 1
1827 1 37 TRP HZ3 1 104 PHE H 2.400 . 3.100 1.833 1.687 1.921 0.013 14 0 "[ . 1 .]" 1
1828 1 68 ALA MB 1 69 GLY H 3.000 . 4.100 2.143 1.853 2.715 0.047 8 0 "[ . 1 .]" 1
1829 1 32 THR H 1 32 THR HA 2.900 . 3.900 2.905 2.862 2.936 . 0 0 "[ . 1 .]" 1
1830 1 106 VAL MG1 1 108 LEU H 2.900 . 3.900 3.618 2.808 3.903 0.003 2 0 "[ . 1 .]" 1
1831 1 66 LEU HA 1 68 ALA H 3.000 . 4.200 4.164 3.684 4.463 0.263 8 0 "[ . 1 .]" 1
1832 1 13 ALA H 1 106 VAL MG2 3.200 . 4.500 3.243 2.849 3.483 . 0 0 "[ . 1 .]" 1
1833 1 15 LEU HB3 1 16 THR H 3.200 . 4.500 3.555 2.467 3.816 . 0 0 "[ . 1 .]" 1
1834 1 67 GLY H 1 68 ALA H 3.000 . 4.100 3.118 2.011 3.677 . 0 0 "[ . 1 .]" 1
1835 1 82 GLY H 1 110 ALA H 2.900 . 6.000 3.757 3.538 3.966 . 0 0 "[ . 1 .]" 1
1836 1 8 LYS HB2 1 26 GLN HE22 3.600 . 5.200 4.522 4.116 5.092 . 0 0 "[ . 1 .]" 1
1837 1 20 GLY H 1 23 VAL HB 3.500 . 5.000 5.058 4.930 5.132 0.132 9 0 "[ . 1 .]" 1
1838 1 57 LYS H 1 57 LYS HA 2.900 . 4.000 2.875 2.844 2.911 . 0 0 "[ . 1 .]" 1
1839 1 26 GLN H 1 26 GLN HB3 2.800 . 3.800 2.493 2.341 2.765 . 0 0 "[ . 1 .]" 1
1840 1 87 ASN H 1 87 ASN HA 2.800 . 3.800 2.950 2.939 2.957 . 0 0 "[ . 1 .]" 1
1841 1 91 MET H 1 91 MET HB3 3.500 . 5.000 3.867 3.747 3.932 . 0 0 "[ . 1 .]" 1
1842 1 40 GLU H 1 40 GLU HA 2.900 . 3.900 2.935 2.920 2.944 . 0 0 "[ . 1 .]" 1
1843 1 51 MET H 1 53 THR HB 3.400 . 6.000 5.638 4.367 6.223 0.223 6 0 "[ . 1 .]" 1
1844 1 31 PRO HA 1 32 THR H 2.800 . 3.800 2.128 2.061 2.225 . 0 0 "[ . 1 .]" 1
1845 1 32 THR H 1 32 THR MG 3.000 . 4.100 2.112 1.832 2.650 0.068 15 0 "[ . 1 .]" 1
1846 1 97 PRO HG3 1 98 SER H 3.800 . 5.600 5.102 4.847 5.661 0.061 7 0 "[ . 1 .]" 1
1847 1 71 THR H 1 72 GLU HA 3.400 . 4.800 4.462 4.202 4.651 . 0 0 "[ . 1 .]" 1
1848 1 49 GLU H 1 50 SER H 3.200 . 4.500 3.818 2.961 4.446 . 0 0 "[ . 1 .]" 1
1849 1 58 TYR H 1 58 TYR HA 2.800 . 3.800 2.937 2.919 2.946 . 0 0 "[ . 1 .]" 1
1850 1 50 SER H 1 51 MET ME 3.600 . 6.000 4.690 3.961 6.014 0.014 15 0 "[ . 1 .]" 1
1851 1 72 GLU HB3 1 73 HIS H 3.300 . 4.700 3.733 3.555 3.856 . 0 0 "[ . 1 .]" 1
1852 1 95 THR H 1 96 GLY HA3 3.400 . 4.900 4.056 3.916 4.228 . 0 0 "[ . 1 .]" 1
1853 1 38 TYR H 1 38 TYR HB2 2.800 . 3.800 2.970 2.402 3.888 0.088 12 0 "[ . 1 .]" 1
1854 1 46 SER H 1 54 VAL QG 3.200 . 4.500 2.675 2.214 3.063 . 0 0 "[ . 1 .]" 1
1855 1 85 ALA MB 1 87 ASN HD21 3.200 . 4.400 3.527 3.120 4.342 . 0 0 "[ . 1 .]" 1
1856 1 93 PRO HB3 1 94 TRP H 3.900 . 5.800 4.224 3.984 4.315 . 0 0 "[ . 1 .]" 1
1857 1 15 LEU H 1 16 THR H 3.600 . 5.200 4.398 4.376 4.432 . 0 0 "[ . 1 .]" 1
1858 1 66 LEU HB3 1 67 GLY H 3.300 . 4.600 2.956 1.889 4.118 0.111 7 0 "[ . 1 .]" 1
1859 1 71 THR H 1 73 HIS HD2 3.500 . 5.000 5.078 5.000 5.282 0.282 5 0 "[ . 1 .]" 1
1860 1 41 GLY H 1 44 LYS QB 3.800 . 6.000 5.633 5.161 5.887 . 0 0 "[ . 1 .]" 1
1861 1 73 HIS H 1 73 HIS HD2 2.800 . 3.800 2.271 1.977 2.638 . 0 0 "[ . 1 .]" 1
1862 1 42 GLY H 1 91 MET ME 4.300 . 6.000 4.240 3.755 4.561 . 0 0 "[ . 1 .]" 1
1863 1 25 ILE H 1 74 PHE H 3.100 . 6.000 3.324 3.045 3.639 . 0 0 "[ . 1 .]" 1
1864 1 62 ASP H 1 65 LEU H 3.700 . 6.000 4.954 4.004 5.960 . 0 0 "[ . 1 .]" 1
1865 1 11 ASN HB2 1 30 ASN HD22 4.000 . 6.000 6.132 6.041 6.240 0.240 11 0 "[ . 1 .]" 1
1866 1 87 ASN QB 1 87 ASN HD21 3.800 . 5.600 2.721 2.338 2.850 . 0 0 "[ . 1 .]" 1
1867 1 92 ARG H 1 92 ARG HB2 2.600 . 3.400 2.144 2.039 2.276 . 0 0 "[ . 1 .]" 1
1868 1 73 HIS H 1 73 HIS HA 2.800 . 3.800 2.948 2.945 2.954 . 0 0 "[ . 1 .]" 1
1869 1 28 PRO HD3 1 37 TRP HE1 2.100 . 6.000 5.368 5.057 5.547 . 0 0 "[ . 1 .]" 1
1870 1 6 VAL HA 1 10 HIS H 4.400 . 6.000 5.118 4.918 5.492 . 0 0 "[ . 1 .]" 1
1871 1 38 TYR HB2 1 39 PHE H 3.900 . 5.800 3.339 2.751 3.727 . 0 0 "[ . 1 .]" 1
1872 1 35 PHE H 1 96 GLY HA2 4.200 . 6.000 6.197 5.951 6.266 0.266 10 0 "[ . 1 .]" 1
1873 1 75 HIS H 1 75 HIS HD2 3.200 . 4.500 3.397 3.245 3.683 . 0 0 "[ . 1 .]" 1
1874 1 19 VAL QG 1 82 GLY H 3.700 . 5.500 4.823 4.296 5.465 . 0 0 "[ . 1 .]" 1
1875 1 86 VAL QG 1 88 LEU H 3.800 . 5.600 3.808 3.326 4.149 . 0 0 "[ . 1 .]" 1
1876 1 37 TRP HZ3 1 105 THR H 2.100 . 6.000 5.359 5.196 5.437 . 0 0 "[ . 1 .]" 1
1877 1 7 THR H 1 106 VAL HB 4.400 . 6.000 5.818 4.965 6.106 0.106 15 0 "[ . 1 .]" 1
1878 1 63 SER H 1 67 GLY H 3.700 . 5.400 4.570 2.714 5.452 0.052 15 0 "[ . 1 .]" 1
1879 1 30 ASN HD21 1 32 THR MG 3.800 . 5.600 4.684 4.480 5.642 0.042 9 0 "[ . 1 .]" 1
1880 1 48 ASN H 1 49 GLU QB 3.900 . 5.800 4.109 3.191 5.059 . 0 0 "[ . 1 .]" 1
1881 1 38 TYR QE 1 91 MET H 4.100 . 6.000 4.502 2.537 5.689 . 0 0 "[ . 1 .]" 1
1882 1 29 SER H 1 72 GLU HG2 4.700 . 6.000 5.442 5.004 5.729 . 0 0 "[ . 1 .]" 1
1883 1 46 SER HB3 1 53 THR H 3.900 . 6.000 5.858 5.049 6.471 0.471 3 0 "[ . 1 .]" 1
1884 1 36 ALA MB 1 42 GLY H 4.900 . 6.000 6.050 5.835 6.171 0.171 7 0 "[ . 1 .]" 1
1885 1 36 ALA H 1 36 ALA MB 3.600 . 5.200 2.665 2.573 2.865 . 0 0 "[ . 1 .]" 1
1886 1 92 ARG HD3 1 94 TRP HE1 3.500 . 5.000 3.281 2.370 4.419 . 0 0 "[ . 1 .]" 1
1887 1 83 THR H 1 83 THR MG 4.300 . 6.000 3.844 3.820 3.866 . 0 0 "[ . 1 .]" 1
1888 1 8 LYS QD 1 26 GLN HE21 4.700 . 6.000 5.638 5.404 5.752 . 0 0 "[ . 1 .]" 1
1889 1 4 HIS HE1 1 6 VAL H 3.900 . 5.800 5.031 4.319 5.681 . 0 0 "[ . 1 .]" 1
1890 1 30 ASN HD22 1 32 THR MG 4.200 . 6.000 5.982 5.351 6.156 0.156 15 0 "[ . 1 .]" 1
1891 1 86 VAL H 1 107 TYR HB3 4.700 . 6.000 5.734 5.635 6.015 0.015 9 0 "[ . 1 .]" 1
1892 1 81 ALA HA 1 110 ALA H 4.200 . 6.000 5.484 5.258 5.802 . 0 0 "[ . 1 .]" 1
1893 1 84 HIS H 1 84 HIS HD2 4.800 . 6.000 5.315 5.246 5.463 . 0 0 "[ . 1 .]" 1
1894 1 7 THR H 1 10 HIS H 3.800 . 5.600 3.565 3.058 3.897 . 0 0 "[ . 1 .]" 1
1895 1 12 GLY HA2 1 13 ALA H 3.500 . 5.000 2.628 2.573 2.690 . 0 0 "[ . 1 .]" 1
1896 1 59 PHE QB 1 71 THR H 3.700 . 5.400 3.414 2.591 4.109 . 0 0 "[ . 1 .]" 1
1897 1 98 SER H 1 101 SER H 4.000 . 6.000 5.392 4.640 6.103 0.103 9 0 "[ . 1 .]" 1
1898 1 29 SER H 1 71 THR MG 4.600 . 6.000 5.367 5.074 5.627 . 0 0 "[ . 1 .]" 1
1899 1 61 PRO QG 1 69 GLY H 3.900 . 5.800 3.633 1.940 4.557 0.060 8 0 "[ . 1 .]" 1
1900 1 30 ASN HA 1 70 GLY H 2.400 . 6.000 5.310 3.609 6.211 0.211 13 0 "[ . 1 .]" 1
1901 1 61 PRO QG 1 70 GLY H 3.700 . 5.400 3.363 2.596 4.708 . 0 0 "[ . 1 .]" 1
1902 1 59 PHE H 1 60 PRO HD2 4.100 . 6.000 4.970 4.692 5.319 . 0 0 "[ . 1 .]" 1
1903 1 92 ARG H 1 100 ASP HB3 4.400 . 6.000 5.981 5.341 6.451 0.451 9 0 "[ . 1 .]" 1
1904 1 76 VAL H 1 78 VAL H 4.500 . 6.000 6.036 5.783 6.109 0.109 8 0 "[ . 1 .]" 1
1905 1 90 TYR HB2 1 102 GLU H 5.300 . 6.000 3.995 3.716 4.223 . 0 0 "[ . 1 .]" 1
1906 1 28 PRO HD3 1 30 ASN H 5.000 . 6.000 5.760 5.424 6.049 0.049 12 0 "[ . 1 .]" 1
1907 1 14 THR H 1 15 LEU H 4.400 . 6.000 3.982 3.805 4.185 . 0 0 "[ . 1 .]" 1
1908 1 26 GLN HE22 1 27 LEU HA 3.500 . 5.000 3.756 3.425 4.185 . 0 0 "[ . 1 .]" 1
1909 1 52 PHE QD 1 53 THR H 4.700 . 6.000 3.649 3.333 4.654 . 0 0 "[ . 1 .]" 1
1910 1 90 TYR HB2 1 91 MET H 5.200 . 6.000 4.616 4.554 4.670 . 0 0 "[ . 1 .]" 1
1911 1 23 VAL H 1 78 VAL H 4.500 . 6.000 3.608 3.327 3.861 . 0 0 "[ . 1 .]" 1
1912 1 8 LYS H 1 9 ALA H 4.100 . 6.000 3.147 2.965 3.348 . 0 0 "[ . 1 .]" 1
1913 1 6 VAL MG2 1 12 GLY H 5.300 . 6.000 6.223 6.091 6.258 0.258 5 0 "[ . 1 .]" 1
1914 1 78 VAL HA 1 80 ALA H 2.600 . 6.000 5.419 5.318 5.513 . 0 0 "[ . 1 .]" 1
1915 1 23 VAL MG2 1 111 ASN H 2.600 . 6.000 4.305 4.109 4.508 . 0 0 "[ . 1 .]" 1
1916 1 28 PRO HG2 1 37 TRP HE1 4.600 . 6.000 4.037 3.952 4.108 . 0 0 "[ . 1 .]" 1
1917 1 37 TRP HZ3 1 88 LEU H 5.400 . 6.000 4.433 4.377 4.517 . 0 0 "[ . 1 .]" 1
1918 1 84 HIS HD2 1 110 ALA H 5.000 . 6.000 5.595 5.184 5.820 . 0 0 "[ . 1 .]" 1
1919 1 103 ARG H 1 103 ARG HD3 5.400 . 6.000 5.753 5.398 5.839 . 0 0 "[ . 1 .]" 1
1920 1 62 ASP QB 1 65 LEU H 4.300 . 6.000 2.838 2.110 3.932 . 0 0 "[ . 1 .]" 1
1921 1 6 VAL H 1 7 THR H 4.500 . 6.000 4.424 4.259 4.511 . 0 0 "[ . 1 .]" 1
1922 1 38 TYR HB2 1 89 THR H 4.600 . 6.000 4.556 4.124 5.161 . 0 0 "[ . 1 .]" 1
1923 1 89 THR MG 1 101 SER H 5.500 . 6.000 5.385 5.124 5.646 . 0 0 "[ . 1 .]" 1
1924 1 9 ALA H 1 10 HIS QB 5.000 . 6.000 4.719 4.504 4.827 . 0 0 "[ . 1 .]" 1
1925 1 5 LYS HA 1 24 GLU H 4.300 . 6.000 2.680 2.378 3.009 . 0 0 "[ . 1 .]" 1
1926 1 56 ASN H 1 56 ASN HD21 4.400 . 6.000 3.665 1.858 4.886 0.142 4 0 "[ . 1 .]" 1
1927 1 85 ALA MB 1 87 ASN H 5.200 . 6.000 4.547 4.347 4.691 . 0 0 "[ . 1 .]" 1
1928 1 83 THR HB 1 84 HIS H 4.800 . 6.000 3.855 3.713 3.931 . 0 0 "[ . 1 .]" 1
1929 1 37 TRP HH2 1 103 ARG H 4.600 . 6.000 3.815 3.552 4.193 . 0 0 "[ . 1 .]" 1
1930 1 23 VAL HB 1 77 THR H 4.400 . 6.000 6.031 5.883 6.097 0.097 2 0 "[ . 1 .]" 1
1931 1 32 THR H 1 90 TYR QD 5.200 . 6.000 5.182 4.639 5.789 . 0 0 "[ . 1 .]" 1
1932 1 25 ILE H 1 25 ILE MD 4.600 . 6.000 2.773 2.601 2.902 . 0 0 "[ . 1 .]" 1
1933 1 90 TYR QD 1 91 MET H 5.500 . 6.000 3.766 2.779 4.469 . 0 0 "[ . 1 .]" 1
1934 1 26 GLN HE21 1 27 LEU HA 5.200 . 6.000 2.495 2.071 3.044 . 0 0 "[ . 1 .]" 1
1935 1 54 VAL H 1 76 VAL QG 5.400 . 6.000 4.437 4.143 4.984 . 0 0 "[ . 1 .]" 1
1936 1 42 GLY HA3 1 43 THR H 4.900 . 6.000 3.231 3.020 3.432 . 0 0 "[ . 1 .]" 1
1937 1 59 PHE H 1 72 GLU HB3 5.700 . 6.000 4.277 3.767 4.717 . 0 0 "[ . 1 .]" 1
1938 1 29 SER QB 1 30 ASN HD22 5.500 . 6.000 5.566 5.507 5.609 . 0 0 "[ . 1 .]" 1
1939 1 92 ARG HB2 1 94 TRP HE1 5.900 . 6.000 5.382 4.914 6.027 0.027 6 0 "[ . 1 .]" 1
1940 1 11 ASN H 1 13 ALA H 5.400 . 6.000 4.837 4.719 4.924 . 0 0 "[ . 1 .]" 1
1941 1 90 TYR QD 1 102 GLU H 4.800 . 6.000 3.267 2.707 4.126 . 0 0 "[ . 1 .]" 1
1942 1 30 ASN H 1 32 THR MG 5.400 . 6.000 5.800 5.658 5.928 . 0 0 "[ . 1 .]" 1
1943 1 29 SER QB 1 30 ASN HD21 5.400 . 6.000 5.072 4.791 5.196 . 0 0 "[ . 1 .]" 1
1944 1 23 VAL HB 1 111 ASN H 3.000 . 6.000 6.195 6.057 6.259 0.259 5 0 "[ . 1 .]" 1
1945 1 91 MET HB3 1 96 GLY H 6.000 . 6.000 4.208 3.882 4.576 . 0 0 "[ . 1 .]" 1
1946 1 52 PHE H 1 53 THR H 5.600 . 6.000 4.436 3.647 4.522 . 0 0 "[ . 1 .]" 1
1947 1 57 LYS H 1 75 HIS HD2 5.700 . 6.000 5.463 4.545 6.022 0.022 9 0 "[ . 1 .]" 1
1948 1 74 PHE H 1 86 VAL QG 6.000 . 6.000 5.492 5.384 5.625 . 0 0 "[ . 1 .]" 1
1949 1 94 TRP HE1 1 95 THR MG 5.200 . 6.000 2.922 2.735 3.128 . 0 0 "[ . 1 .]" 1
1950 1 6 VAL MG1 1 11 ASN H 6.000 . 6.000 4.265 4.101 5.194 . 0 0 "[ . 1 .]" 1
1951 1 48 ASN HD21 1 111 ASN HA 5.600 . 6.000 5.759 5.063 6.137 0.137 14 0 "[ . 1 .]" 1
1952 1 49 GLU H 1 51 MET H 6.000 . 6.000 5.684 4.939 6.101 0.101 10 0 "[ . 1 .]" 1
1953 1 38 TYR H 1 91 MET QG 6.000 . 6.000 4.586 4.317 5.064 . 0 0 "[ . 1 .]" 1
1954 1 31 PRO QG 1 70 GLY H 5.500 . 6.000 4.340 2.097 5.514 . 0 0 "[ . 1 .]" 1
1955 1 66 LEU QD 1 67 GLY H 5.700 . 6.000 2.901 1.774 3.689 . 0 0 "[ . 1 .]" 1
1956 1 91 MET HB3 1 95 THR H 6.000 . 6.000 5.272 4.568 5.745 . 0 0 "[ . 1 .]" 1
1957 1 60 PRO HG3 1 71 THR H 6.000 . 6.000 5.507 4.561 6.171 0.171 8 0 "[ . 1 .]" 1
1958 1 92 ARG HB3 1 94 TRP H 5.700 . 6.000 3.348 3.039 3.789 . 0 0 "[ . 1 .]" 1
1959 1 86 VAL H 1 106 VAL MG1 5.700 . 6.000 2.943 2.708 3.163 . 0 0 "[ . 1 .]" 1
1960 1 22 LEU QD 1 25 ILE H 6.000 . 6.000 4.690 4.312 4.865 . 0 0 "[ . 1 .]" 1
1961 1 22 LEU QD 1 23 VAL H 4.700 . 6.000 2.040 1.889 2.254 0.011 3 0 "[ . 1 .]" 1
1962 1 24 GLU HB2 1 25 ILE H 2.600 . 3.400 2.458 2.236 2.685 . 0 0 "[ . 1 .]" 1
1963 1 15 LEU H 1 15 LEU HG 4.600 . 6.000 3.266 2.433 4.056 . 0 0 "[ . 1 .]" 1
1964 1 17 VAL H 1 110 ALA MB 5.200 . 6.000 4.751 4.644 4.869 . 0 0 "[ . 1 .]" 1
1965 1 15 LEU H 1 107 TYR HB3 6.000 . 6.000 3.497 3.350 3.696 . 0 0 "[ . 1 .]" 1
1966 1 41 GLY HA3 1 91 MET HA 4.400 . 6.000 4.373 4.281 4.409 . 0 0 "[ . 1 .]" 1
1967 1 4 HIS HA 1 23 VAL HA 4.800 . 6.000 4.066 3.957 4.219 . 0 0 "[ . 1 .]" 1
1968 1 16 THR HA 1 109 LYS H 2.200 . 2.800 1.950 1.843 2.050 . 0 0 "[ . 1 .]" 1
1969 1 25 ILE MD 1 27 LEU QD 4.900 . 6.000 3.817 3.550 4.015 . 0 0 "[ . 1 .]" 1
1970 1 25 ILE H 1 74 PHE QD 4.300 . 6.000 5.100 4.830 5.474 . 0 0 "[ . 1 .]" 1
1971 1 11 ASN HA 1 37 TRP HH2 5.300 . 6.000 4.563 3.520 4.941 . 0 0 "[ . 1 .]" 1
1972 1 8 LYS HA 1 37 TRP HZ2 2.800 . 6.000 4.160 3.756 5.055 . 0 0 "[ . 1 .]" 1
1973 1 35 PHE HA 1 35 PHE QE 4.800 . 6.000 3.913 3.784 4.079 . 0 0 "[ . 1 .]" 1
1974 1 12 GLY HA2 1 107 TYR QD 3.500 . 5.000 4.792 4.478 5.025 0.025 15 0 "[ . 1 .]" 1
1975 1 39 PHE HB2 1 39 PHE QE 3.800 . 5.600 3.672 3.661 3.688 . 0 0 "[ . 1 .]" 1
1976 1 37 TRP HB3 1 74 PHE QD 2.900 . 6.000 4.263 3.954 4.423 . 0 0 "[ . 1 .]" 1
1977 1 37 TRP HZ3 1 90 TYR QD 3.900 . 5.800 4.594 4.310 4.970 . 0 0 "[ . 1 .]" 1
1978 1 14 THR HA 1 107 TYR QD 3.200 . 4.500 2.651 2.488 2.815 . 0 0 "[ . 1 .]" 1
1979 1 52 PHE HA 1 52 PHE QD 2.600 . 3.400 2.576 2.451 2.792 . 0 0 "[ . 1 .]" 1
1980 1 37 TRP HD1 1 71 THR HA 5.100 . 6.000 5.389 5.188 5.587 . 0 0 "[ . 1 .]" 1
1981 1 26 GLN HA 1 75 HIS HE1 4.900 . 6.000 4.972 4.724 5.101 . 0 0 "[ . 1 .]" 1
1982 1 24 GLU HA 1 75 HIS HD2 3.200 . 4.500 3.524 3.193 4.050 . 0 0 "[ . 1 .]" 1
1983 1 39 PHE HA 1 39 PHE HZ 3.600 . 5.300 5.012 4.796 5.199 . 0 0 "[ . 1 .]" 1
1984 1 26 GLN HA 1 74 PHE QD 3.400 . 4.900 3.319 3.191 3.537 . 0 0 "[ . 1 .]" 1
1985 1 26 GLN HA 1 74 PHE QD 4.300 . 6.000 3.763 3.541 4.092 . 0 0 "[ . 1 .]" 1
1986 1 26 GLN HA 1 73 HIS HD2 3.800 . 5.600 3.656 3.487 3.878 . 0 0 "[ . 1 .]" 1
1987 1 28 PRO HA 1 73 HIS HD2 6.000 . 6.000 5.104 4.256 5.368 . 0 0 "[ . 1 .]" 1
1988 1 35 PHE QE 1 101 SER HA 4.000 . 6.000 3.190 1.969 4.167 0.031 3 0 "[ . 1 .]" 1
1989 1 84 HIS HE1 1 85 ALA HA 3.700 . 5.400 4.913 4.778 5.091 . 0 0 "[ . 1 .]" 1
1990 1 51 MET HA 1 52 PHE QD 4.100 . 6.000 4.207 3.916 4.403 . 0 0 "[ . 1 .]" 1
1991 1 4 HIS HD2 1 23 VAL HA 3.800 . 5.600 3.781 3.569 3.984 . 0 0 "[ . 1 .]" 1
1992 1 10 HIS HA 1 104 PHE QD 5.000 . 6.000 4.520 3.929 4.829 . 0 0 "[ . 1 .]" 1
1993 1 57 LYS HE3 1 75 HIS HE1 5.000 . 6.000 3.829 2.765 4.566 . 0 0 "[ . 1 .]" 1
1994 1 38 TYR HB2 1 38 TYR QD 2.100 . 2.600 2.205 2.139 2.348 . 0 0 "[ . 1 .]" 1
1995 1 35 PHE QB 1 38 TYR QD 3.200 . 6.000 5.229 4.839 5.577 . 0 0 "[ . 1 .]" 1
1996 1 35 PHE QB 1 38 TYR QE 3.700 . 5.400 5.250 4.705 6.358 0.958 3 3 "[ + . - * .]" 1
1997 1 44 LYS QB 1 74 PHE QD 3.200 . 4.500 2.363 1.914 2.873 . 0 0 "[ . 1 .]" 1
1998 1 51 MET ME 1 52 PHE QD 4.000 . 6.000 3.094 2.580 3.534 . 0 0 "[ . 1 .]" 1
1999 1 37 TRP HZ3 1 103 ARG HB3 4.800 . 6.000 4.036 3.806 4.352 . 0 0 "[ . 1 .]" 1
2000 1 39 PHE QE 1 44 LYS QB 3.800 . 5.600 2.446 2.116 2.660 . 0 0 "[ . 1 .]" 1
2001 1 51 MET HB3 1 52 PHE QD 3.400 . 4.900 4.032 3.761 4.580 . 0 0 "[ . 1 .]" 1
2002 1 37 TRP HZ3 1 103 ARG HG3 2.800 . 3.800 2.251 2.005 2.924 . 0 0 "[ . 1 .]" 1
2003 1 35 PHE QE 1 91 MET HB3 4.800 . 6.000 4.157 3.778 4.604 . 0 0 "[ . 1 .]" 1
2004 1 8 LYS QD 1 104 PHE QE 3.900 . 5.800 4.405 4.143 4.808 . 0 0 "[ . 1 .]" 1
2005 1 13 ALA MB 1 106 VAL H 3.400 . 4.900 3.574 2.560 4.089 . 0 0 "[ . 1 .]" 1
2006 1 26 GLN HB3 1 75 HIS HD2 4.000 . 6.000 3.189 2.610 3.550 . 0 0 "[ . 1 .]" 1
2007 1 13 ALA MB 1 107 TYR QD 4.400 . 6.000 3.584 3.427 3.726 . 0 0 "[ . 1 .]" 1
2008 1 57 LYS QD 1 75 HIS HD2 4.500 . 6.000 2.015 1.842 2.191 0.058 8 0 "[ . 1 .]" 1
2009 1 26 GLN HB2 1 74 PHE QD 2.700 . 6.000 2.964 2.234 4.073 . 0 0 "[ . 1 .]" 1
2010 1 84 HIS HE1 1 85 ALA MB 5.100 . 6.000 5.185 4.996 5.365 . 0 0 "[ . 1 .]" 1
2011 1 26 GLN HB2 1 75 HIS HE1 5.300 . 6.000 5.406 4.930 5.720 . 0 0 "[ . 1 .]" 1
2012 1 71 THR MG 1 75 HIS HE1 4.700 . 6.000 5.818 5.096 6.121 0.121 11 0 "[ . 1 .]" 1
2013 1 14 THR MG 1 107 TYR QD 2.900 . 3.900 2.818 2.324 3.189 . 0 0 "[ . 1 .]" 1
2014 1 6 VAL MG1 1 73 HIS HE1 3.000 . 6.000 4.557 4.372 4.751 . 0 0 "[ . 1 .]" 1
2015 1 35 PHE QB 1 35 PHE QE 4.400 . 6.000 3.724 3.583 3.857 . 0 0 "[ . 1 .]" 1
2016 1 35 PHE QB 1 35 PHE QD 1.500 . 6.000 1.988 1.775 2.221 . 0 0 "[ . 1 .]" 1
2017 1 4 HIS HD2 1 23 VAL MG2 3.200 . 4.500 2.538 1.983 3.210 . 0 0 "[ . 1 .]" 1
2018 1 25 ILE MD 1 104 PHE QE 3.000 . 4.100 2.184 1.638 2.448 0.262 9 0 "[ . 1 .]" 1
2019 1 27 LEU HG 1 37 TRP HZ2 4.800 . 6.000 4.209 4.151 4.287 . 0 0 "[ . 1 .]" 1
2020 1 27 LEU HB2 1 37 TRP HD1 3.400 . 4.800 3.397 3.282 3.496 . 0 0 "[ . 1 .]" 1
2021 1 27 LEU HG 1 74 PHE QD 5.300 . 6.000 4.724 4.114 4.980 . 0 0 "[ . 1 .]" 1
2022 1 84 HIS HD2 1 86 VAL QG 6.000 . 6.000 4.307 3.806 4.804 . 0 0 "[ . 1 .]" 1
2023 1 19 VAL HA 1 20 GLY HA3 4.900 . 6.000 3.331 3.249 3.377 . 0 0 "[ . 1 .]" 1
2024 1 4 HIS QB 1 80 ALA HA 3.100 . 6.000 6.392 5.994 7.051 1.051 2 6 "[ + ** 1*- *]" 1
2025 1 10 HIS HA 1 11 ASN HB2 4.300 . 6.000 4.457 4.375 4.527 . 0 0 "[ . 1 .]" 1
2026 1 52 PHE HB3 1 79 LYS HA 2.300 . 6.000 4.495 4.354 4.566 . 0 0 "[ . 1 .]" 1
2027 1 52 PHE HB2 1 79 LYS HA 4.900 . 6.000 4.979 4.275 5.332 . 0 0 "[ . 1 .]" 1
2028 1 52 PHE HB2 1 53 THR HB 5.800 . 6.000 4.974 4.293 5.369 . 0 0 "[ . 1 .]" 1
2029 1 100 ASP HA 1 100 ASP HB2 2.900 . 3.900 2.225 2.135 2.309 . 0 0 "[ . 1 .]" 1
2030 1 47 PRO HA 1 47 PRO QD 2.500 . 6.000 3.385 3.289 3.439 . 0 0 "[ . 1 .]" 1
2031 1 34 GLY QA 1 92 ARG HD3 3.400 . 4.800 3.183 2.396 3.911 . 0 0 "[ . 1 .]" 1
2032 1 41 GLY HA3 1 91 MET QG 4.200 . 6.000 4.186 3.939 4.893 . 0 0 "[ . 1 .]" 1
2033 1 35 PHE QB 1 90 TYR HA 4.500 . 6.000 3.158 2.368 3.913 . 0 0 "[ . 1 .]" 1
2034 1 90 TYR HB3 1 103 ARG HA 4.500 . 6.000 3.886 3.644 4.133 . 0 0 "[ . 1 .]" 1
2035 1 49 GLU HG3 1 53 THR HA 3.900 . 5.800 4.135 3.910 4.395 . 0 0 "[ . 1 .]" 1
2036 1 51 MET HA 1 51 MET QG 1.800 . 6.000 3.283 3.175 3.439 . 0 0 "[ . 1 .]" 1
2037 1 17 VAL HB 1 18 ALA HA 3.500 . 5.100 4.353 4.106 4.588 . 0 0 "[ . 1 .]" 1
2038 1 27 LEU HA 1 28 PRO HG2 5.400 . 6.000 4.188 4.111 4.264 . 0 0 "[ . 1 .]" 1
2039 1 51 MET HA 1 51 MET ME 5.200 . 6.000 4.327 4.230 4.412 . 0 0 "[ . 1 .]" 1
2040 1 54 VAL HA 1 76 VAL HB 2.900 . 3.900 2.825 2.609 2.983 . 0 0 "[ . 1 .]" 1
2041 1 29 SER QB 1 60 PRO HB3 4.300 . 6.000 3.903 2.510 4.871 . 0 0 "[ . 1 .]" 1
2042 1 7 THR HB 1 8 LYS HB3 4.500 . 6.000 3.924 3.740 4.306 . 0 0 "[ . 1 .]" 1
2043 1 7 THR HA 1 8 LYS HB3 5.100 . 6.000 4.727 4.641 4.842 . 0 0 "[ . 1 .]" 1
2044 1 24 GLU HA 1 24 GLU HB2 2.700 . 3.600 2.410 2.175 2.653 . 0 0 "[ . 1 .]" 1
2045 1 64 LYS QD 1 65 LEU HA 3.400 . 4.800 3.384 2.249 4.681 . 0 0 "[ . 1 .]" 1
2046 1 13 ALA MB 1 107 TYR HA 3.700 . 5.400 5.111 4.689 5.418 0.018 14 0 "[ . 1 .]" 1
2047 1 13 ALA MB 1 14 THR HA 4.600 . 6.000 3.415 2.807 3.778 . 0 0 "[ . 1 .]" 1
2048 1 13 ALA MB 1 106 VAL HA 3.900 . 5.800 2.284 2.194 2.371 . 0 0 "[ . 1 .]" 1
2049 1 39 PHE HA 1 88 LEU HB2 2.400 . 3.100 2.987 2.981 2.996 . 0 0 "[ . 1 .]" 1
2050 1 8 LYS HG3 1 27 LEU HA 6.000 . 6.000 4.752 4.663 4.862 . 0 0 "[ . 1 .]" 1
2051 1 57 LYS QD 1 72 GLU HA 4.200 . 6.000 4.068 3.411 4.412 . 0 0 "[ . 1 .]" 1
2052 1 15 LEU HA 1 15 LEU HG 4.400 . 6.000 3.110 2.433 3.379 . 0 0 "[ . 1 .]" 1
2053 1 22 LEU HA 1 22 LEU HG 3.600 . 5.200 2.752 2.510 2.789 . 0 0 "[ . 1 .]" 1
2054 1 14 THR HA 1 15 LEU HB2 5.600 . 6.000 4.340 3.786 5.180 . 0 0 "[ . 1 .]" 1
2055 1 83 THR HA 1 109 LYS QG 3.700 . 5.400 2.252 1.972 2.422 0.028 14 0 "[ . 1 .]" 1
2056 1 53 THR HA 1 53 THR MG 2.300 . 3.000 2.719 2.108 2.769 . 0 0 "[ . 1 .]" 1
2057 1 53 THR MG 1 54 VAL HA 4.300 . 6.000 3.916 3.749 4.196 . 0 0 "[ . 1 .]" 1
2058 1 43 THR MG 1 45 GLU HA 4.400 . 6.000 4.749 4.342 5.166 . 0 0 "[ . 1 .]" 1
2059 1 5 LYS HA 1 5 LYS QG 3.400 . 4.900 2.466 2.276 2.578 . 0 0 "[ . 1 .]" 1
2060 1 41 GLY HA3 1 89 THR MG 4.900 . 6.000 4.569 4.383 4.745 . 0 0 "[ . 1 .]" 1
2061 1 16 THR HA 1 83 THR MG 6.000 . 6.000 4.068 3.859 4.358 . 0 0 "[ . 1 .]" 1
2062 1 66 LEU QD 1 70 GLY HA2 4.000 . 6.000 3.661 1.783 5.242 0.217 3 0 "[ . 1 .]" 1
2063 1 6 VAL MG1 1 10 HIS HA 4.200 . 6.000 2.806 1.989 2.987 0.011 15 0 "[ . 1 .]" 1
2064 1 4 HIS HA 1 23 VAL MG1 4.400 . 6.000 4.986 4.619 5.324 . 0 0 "[ . 1 .]" 1
2065 1 6 VAL HA 1 6 VAL MG1 3.000 . 4.100 2.432 2.346 2.519 . 0 0 "[ . 1 .]" 1
2066 1 23 VAL MG1 1 111 ASN HA 3.500 . 5.000 5.097 4.981 5.165 0.165 15 0 "[ . 1 .]" 1
2067 1 95 THR HA 1 95 THR MG 2.700 . 3.600 2.856 2.775 2.869 . 0 0 "[ . 1 .]" 1
2068 1 92 ARG HA 1 92 ARG HB3 2.700 . 3.600 2.634 2.514 2.716 . 0 0 "[ . 1 .]" 1
2069 1 19 VAL QG 1 111 ASN HA 3.600 . 5.300 2.700 2.247 3.697 . 0 0 "[ . 1 .]" 1
2070 1 19 VAL QG 1 22 LEU HA 3.400 . 4.800 4.247 2.854 4.649 . 0 0 "[ . 1 .]" 1
2071 1 14 THR HA 1 106 VAL MG2 4.000 . 6.000 2.972 2.727 3.422 . 0 0 "[ . 1 .]" 1
2072 1 22 LEU QD 1 24 GLU HA 2.900 . 3.900 3.480 3.111 3.621 . 0 0 "[ . 1 .]" 1
2073 1 5 LYS HA 1 25 ILE MD 2.000 . 6.000 3.091 2.901 3.235 . 0 0 "[ . 1 .]" 1
2074 1 25 ILE HG12 1 75 HIS HA 4.800 . 6.000 3.856 3.032 4.011 . 0 0 "[ . 1 .]" 1
2075 1 25 ILE MD 1 107 TYR HA 4.000 . 6.000 3.833 3.634 3.935 . 0 0 "[ . 1 .]" 1
2076 1 15 LEU QD 1 16 THR HA 6.000 . 6.000 3.008 2.390 4.281 . 0 0 "[ . 1 .]" 1
2077 1 5 LYS HA 1 6 VAL MG2 5.000 . 6.000 4.188 4.067 4.628 . 0 0 "[ . 1 .]" 1
2078 1 17 VAL QG 1 18 ALA HA 4.900 . 6.000 3.391 3.169 3.783 . 0 0 "[ . 1 .]" 1
2079 1 34 GLY QA 1 92 ARG HG3 3.000 . 4.100 2.261 1.932 2.828 . 0 0 "[ . 1 .]" 1
2080 1 17 VAL QG 1 18 ALA HA 4.100 . 6.000 3.210 3.072 3.469 . 0 0 "[ . 1 .]" 1
2081 1 5 LYS HA 1 25 ILE MG 3.800 . 5.600 3.797 3.350 4.014 . 0 0 "[ . 1 .]" 1
2082 1 90 TYR HB2 1 102 GLU HA 3.000 . 4.100 2.889 2.767 3.000 . 0 0 "[ . 1 .]" 1
2083 1 59 PHE QB 1 71 THR HB 4.200 . 6.000 3.224 3.048 3.313 . 0 0 "[ . 1 .]" 1
2084 1 49 GLU HG3 1 50 SER HA 4.400 . 6.000 4.193 3.716 5.209 . 0 0 "[ . 1 .]" 1
2085 1 28 PRO HG3 1 30 ASN HB3 3.500 . 5.100 4.277 2.225 5.056 . 0 0 "[ . 1 .]" 1
2086 1 28 PRO HG2 1 30 ASN HB3 2.800 . 3.800 3.850 3.109 4.117 0.317 8 0 "[ . 1 .]" 1
2087 1 61 PRO HD3 1 61 PRO QG 3.000 . 4.100 1.992 1.981 2.004 . 0 0 "[ . 1 .]" 1
2088 1 29 SER QB 1 60 PRO HB3 5.400 . 6.000 3.820 2.500 4.298 . 0 0 "[ . 1 .]" 1
2089 1 60 PRO HB3 1 60 PRO HD3 2.800 . 3.800 3.172 2.535 3.701 . 0 0 "[ . 1 .]" 1
2090 1 60 PRO HB3 1 61 PRO HD3 3.400 . 4.900 3.002 2.497 3.435 . 0 0 "[ . 1 .]" 1
2091 1 26 GLN HG3 1 71 THR HB 3.100 . 4.300 3.112 2.835 3.386 . 0 0 "[ . 1 .]" 1
2092 1 29 SER QB 1 66 LEU HG 5.700 . 6.000 4.245 1.846 5.418 . 0 0 "[ . 1 .]" 1
2093 1 26 GLN HB3 1 28 PRO HD3 4.900 . 6.000 4.381 2.848 5.758 . 0 0 "[ . 1 .]" 1
2094 1 25 ILE HG13 1 86 VAL HA 5.400 . 6.000 3.703 3.496 3.934 . 0 0 "[ . 1 .]" 1
2095 1 25 ILE HG13 1 86 VAL HA 6.000 . 6.000 4.122 3.942 4.319 . 0 0 "[ . 1 .]" 1
2096 1 66 LEU HB3 1 67 GLY QA 4.300 . 6.000 3.518 3.150 4.006 . 0 0 "[ . 1 .]" 1
2097 1 20 GLY HA2 1 22 LEU HB3 2.400 . 6.000 6.132 5.368 6.533 0.533 5 1 "[ + 1 .]" 1
2098 1 65 LEU QB 1 67 GLY QA 4.700 . 6.000 4.078 3.855 4.263 . 0 0 "[ . 1 .]" 1
2099 1 33 THR MG 1 35 PHE HA 5.000 . 6.000 4.030 3.283 5.047 . 0 0 "[ . 1 .]" 1
2100 1 31 PRO HD2 1 32 THR MG 2.800 . 6.000 4.288 3.929 4.485 . 0 0 "[ . 1 .]" 1
2101 1 22 LEU HG 1 75 HIS HB3 3.000 . 4.200 3.804 3.539 4.002 . 0 0 "[ . 1 .]" 1
2102 1 15 LEU HB2 1 16 THR HB 4.900 . 6.000 3.855 3.313 4.622 . 0 0 "[ . 1 .]" 1
2103 1 29 SER QB 1 31 PRO QG 5.400 . 6.000 2.674 2.264 3.108 . 0 0 "[ . 1 .]" 1
2104 1 35 PHE HA 1 36 ALA MB 5.700 . 6.000 3.719 3.525 3.915 . 0 0 "[ . 1 .]" 1
2105 1 34 GLY QA 1 36 ALA MB 3.800 . 5.600 4.763 4.615 5.235 . 0 0 "[ . 1 .]" 1
2106 1 15 LEU QB 1 16 THR HB 4.500 . 6.000 3.794 3.301 4.512 . 0 0 "[ . 1 .]" 1
2107 1 11 ASN HA 1 88 LEU HG 4.600 . 6.000 3.848 3.750 3.985 . 0 0 "[ . 1 .]" 1
2108 1 19 VAL HA 1 23 VAL MG2 3.400 . 4.800 1.949 1.845 2.096 0.155 1 0 "[ . 1 .]" 1
2109 1 17 VAL QG 1 19 VAL HA 4.700 . 6.000 3.927 3.624 4.585 . 0 0 "[ . 1 .]" 1
2110 1 54 VAL HA 1 55 GLU HA 4.700 . 6.000 3.924 3.910 3.938 . 0 0 "[ . 1 .]" 1
2111 1 14 THR HA 1 15 LEU HA 4.100 . 6.000 3.912 3.896 3.927 . 0 0 "[ . 1 .]" 1
2112 1 14 THR HA 1 106 VAL HA 4.000 . 6.000 4.044 3.945 4.145 . 0 0 "[ . 1 .]" 1
2113 1 28 PRO HA 1 28 PRO HD3 3.200 . 4.500 3.306 2.831 3.777 . 0 0 "[ . 1 .]" 1
2114 1 9 ALA HA 1 10 HIS HA 3.200 . 4.400 4.154 4.058 4.201 . 0 0 "[ . 1 .]" 1
2115 1 7 THR HA 1 28 PRO HD3 4.200 . 6.000 3.837 3.586 4.035 . 0 0 "[ . 1 .]" 1
2116 1 29 SER QB 1 60 PRO HA 5.100 . 6.000 3.170 2.297 3.534 . 0 0 "[ . 1 .]" 1
2117 1 50 SER HB3 1 51 MET HA 6.000 . 6.000 3.898 3.615 4.223 . 0 0 "[ . 1 .]" 1
2118 1 28 PRO HA 1 71 THR HB 4.500 . 6.000 4.109 4.012 4.152 . 0 0 "[ . 1 .]" 1
2119 1 50 SER HB3 1 51 MET HA 5.700 . 6.000 3.444 2.231 4.373 . 0 0 "[ . 1 .]" 1
2120 1 61 PRO HA 1 67 GLY QA 5.200 . 6.000 3.439 2.234 4.358 . 0 0 "[ . 1 .]" 1
2121 1 57 LYS HA 1 58 TYR HA 4.100 . 6.000 3.888 3.876 3.900 . 0 0 "[ . 1 .]" 1
2122 1 10 HIS HA 1 106 VAL HA 5.700 . 6.000 3.671 3.578 3.791 . 0 0 "[ . 1 .]" 1
2123 1 67 GLY QA 1 68 ALA HA 6.000 . 6.000 3.745 3.589 3.935 . 0 0 "[ . 1 .]" 1
2124 1 39 PHE HB3 1 41 GLY HA2 3.000 . 6.000 5.593 5.485 5.687 . 0 0 "[ . 1 .]" 1
2125 1 35 PHE QB 1 92 ARG HD3 5.400 . 6.000 4.696 3.865 5.491 . 0 0 "[ . 1 .]" 1
2126 1 47 PRO HB2 1 48 ASN HB3 4.400 . 6.000 3.480 3.147 4.014 . 0 0 "[ . 1 .]" 1
2127 1 25 ILE HG13 1 74 PHE HB3 3.600 . 5.200 3.541 3.079 3.703 . 0 0 "[ . 1 .]" 1
2128 1 26 GLN HB3 1 73 HIS QB 4.200 . 6.000 2.735 2.174 3.507 . 0 0 "[ . 1 .]" 1
2129 1 57 LYS QD 1 57 LYS HE3 2.400 . 3.100 1.652 1.446 2.069 0.254 6 0 "[ . 1 .]" 1
2130 1 79 LYS HE3 1 79 LYS HG3 2.700 . 3.600 2.924 2.288 3.260 . 0 0 "[ . 1 .]" 1
2131 1 36 ALA MB 1 37 TRP HB2 4.300 . 6.000 4.072 3.989 4.178 . 0 0 "[ . 1 .]" 1
2132 1 11 ASN HB2 1 88 LEU HB3 5.000 . 6.000 4.675 4.347 5.468 . 0 0 "[ . 1 .]" 1
2133 1 74 PHE HB3 1 88 LEU HB3 4.200 . 6.000 5.368 5.017 5.579 . 0 0 "[ . 1 .]" 1
2134 1 57 LYS HG3 1 58 TYR QB 5.800 . 6.000 5.882 5.190 6.372 0.372 11 0 "[ . 1 .]" 1
2135 1 52 PHE HB3 1 78 VAL MG1 4.600 . 6.000 3.838 3.620 4.093 . 0 0 "[ . 1 .]" 1
2136 1 52 PHE HB3 1 77 THR MG 5.300 . 6.000 3.543 3.407 4.091 . 0 0 "[ . 1 .]" 1
2137 1 4 HIS QB 1 6 VAL MG2 4.200 . 6.000 4.899 4.685 5.133 . 0 0 "[ . 1 .]" 1
2138 1 25 ILE HG12 1 74 PHE HB3 3.500 . 5.000 3.776 3.571 3.984 . 0 0 "[ . 1 .]" 1
2139 1 51 MET QG 1 79 LYS HG3 4.100 . 6.000 4.329 3.667 5.361 . 0 0 "[ . 1 .]" 1
2140 1 32 THR MG 1 90 TYR HB3 3.900 . 5.800 3.949 3.529 4.584 . 0 0 "[ . 1 .]" 1
2141 1 47 PRO HB3 1 47 PRO HG3 1.900 . 2.400 1.967 1.908 2.040 . 0 0 "[ . 1 .]" 1
2142 1 26 GLN HB2 1 71 THR MG 2.700 . 3.600 2.756 2.515 2.967 . 0 0 "[ . 1 .]" 1
2143 1 23 VAL HB 1 76 VAL QG 3.300 . 4.700 2.636 1.756 3.307 0.144 15 0 "[ . 1 .]" 1
2144 1 78 VAL MG1 1 79 LYS QB 3.200 . 4.400 3.609 3.412 3.788 . 0 0 "[ . 1 .]" 1
2145 1 65 LEU QD 1 65 LEU HG 1.500 . 2.200 1.686 1.682 1.688 . 0 0 "[ . 1 .]" 1
2146 1 23 VAL MG1 1 110 ALA MB 1.700 . 6.000 3.136 2.614 3.536 . 0 0 "[ . 1 .]" 1
2147 1 19 VAL HB 1 23 VAL MG1 4.600 . 6.000 3.944 3.848 4.190 . 0 0 "[ . 1 .]" 1
2148 1 19 VAL QG 1 79 LYS QD 4.700 . 6.000 3.896 3.563 4.554 . 0 0 "[ . 1 .]" 1
2149 1 19 VAL HB 1 23 VAL MG2 4.800 . 6.000 3.025 2.442 3.758 . 0 0 "[ . 1 .]" 1
2150 1 17 VAL QG 1 18 ALA MB 3.200 . 4.400 2.649 2.463 2.804 . 0 0 "[ . 1 .]" 1
2151 1 24 GLU HB3 1 25 ILE H 1.000 . 2.200 2.519 2.211 2.857 0.657 8 4 "[ .-*+ 1 *]" 1
2152 1 11 ASN HA 1 13 ALA H 1.500 . 6.000 3.928 3.534 4.380 . 0 0 "[ . 1 .]" 1
2153 1 24 GLU HA 1 25 ILE H 1.600 . 2.200 1.945 1.896 1.994 . 0 0 "[ . 1 .]" 1
2154 1 25 ILE HG12 1 75 HIS HA 2.200 . 6.000 3.405 3.160 3.595 . 0 0 "[ . 1 .]" 1
2155 1 24 GLU HA 1 25 ILE H 1.900 . 2.400 1.949 1.916 2.000 . 0 0 "[ . 1 .]" 1
2156 1 71 THR HA 1 72 GLU H 1.900 . 2.400 1.967 1.894 2.003 . 0 0 "[ . 1 .]" 1
2157 1 78 VAL HB 1 79 LYS H 2.200 . 2.800 2.814 2.715 2.942 0.142 9 0 "[ . 1 .]" 1
2158 1 22 LEU HA 1 23 VAL H 2.000 . 2.500 1.945 1.920 1.984 . 0 0 "[ . 1 .]" 1
2159 1 85 ALA H 1 85 ALA MB 2.100 . 2.700 2.088 2.065 2.110 . 0 0 "[ . 1 .]" 1
2160 1 52 PHE QD 1 78 VAL H 2.300 . 2.900 2.794 2.607 2.941 0.041 8 0 "[ . 1 .]" 1
2161 1 19 VAL HA 1 20 GLY H 2.200 . 2.800 2.188 2.132 2.264 . 0 0 "[ . 1 .]" 1
2162 1 44 LYS HA 1 44 LYS QB 2.200 . 2.800 2.040 2.001 2.117 . 0 0 "[ . 1 .]" 1
2163 1 54 VAL HA 1 76 VAL QG 2.700 . 3.600 2.913 2.714 3.196 . 0 0 "[ . 1 .]" 1
2164 1 19 VAL HA 1 19 VAL HB 2.400 . 3.100 2.056 2.031 2.142 . 0 0 "[ . 1 .]" 1
2165 1 54 VAL QG 1 55 GLU H 2.600 . 3.500 2.444 2.118 2.834 . 0 0 "[ . 1 .]" 1
2166 1 28 PRO HD3 1 28 PRO HG2 2.500 . 3.300 2.626 2.281 2.660 . 0 0 "[ . 1 .]" 1
2167 1 25 ILE HA 1 26 GLN H 2.300 . 3.000 2.155 2.010 2.196 . 0 0 "[ . 1 .]" 1
2168 1 21 GLU H 1 21 GLU HA 2.300 . 3.000 2.188 2.124 2.350 . 0 0 "[ . 1 .]" 1
2169 1 19 VAL H 1 19 VAL HB 2.800 . 3.800 3.228 2.585 3.530 . 0 0 "[ . 1 .]" 1
2170 1 26 GLN HB3 1 27 LEU H 2.600 . 3.400 2.219 1.820 2.701 . 0 0 "[ . 1 .]" 1
2171 1 58 TYR HA 1 58 TYR QB 2.200 . 2.800 2.054 2.006 2.095 . 0 0 "[ . 1 .]" 1
2172 1 26 GLN HB2 1 27 LEU H 2.900 . 3.900 3.114 2.958 3.218 . 0 0 "[ . 1 .]" 1
2173 1 41 GLY HA2 1 42 GLY H 2.300 . 3.000 1.982 1.940 2.067 . 0 0 "[ . 1 .]" 1
2174 1 64 LYS HA 1 64 LYS HG3 2.900 . 4.000 2.830 2.469 3.404 . 0 0 "[ . 1 .]" 1
2175 1 37 TRP HB2 1 72 GLU HB2 2.400 . 3.100 2.108 2.058 2.145 . 0 0 "[ . 1 .]" 1
2176 1 8 LYS HA 1 104 PHE QD 2.800 . 3.800 3.628 3.423 4.208 0.408 15 0 "[ . 1 .]" 1
2177 1 59 PHE H 1 59 PHE QB 2.800 . 3.800 2.422 1.806 2.619 . 0 0 "[ . 1 .]" 1
2178 1 38 TYR HB3 1 41 GLY H 2.500 . 3.300 2.551 1.917 3.404 0.104 13 0 "[ . 1 .]" 1
2179 1 8 LYS H 1 28 PRO HG3 2.900 . 4.000 2.816 2.488 3.359 . 0 0 "[ . 1 .]" 1
2180 1 6 VAL H 1 6 VAL HB 2.600 . 3.500 2.447 2.371 2.549 . 0 0 "[ . 1 .]" 1
2181 1 13 ALA MB 1 107 TYR H 2.900 . 3.900 2.569 2.280 2.851 . 0 0 "[ . 1 .]" 1
2182 1 47 PRO HB2 1 48 ASN H 2.900 . 3.900 3.212 2.620 3.578 . 0 0 "[ . 1 .]" 1
2183 1 38 TYR HB2 1 39 PHE HB3 2.900 . 6.000 5.378 5.231 5.504 . 0 0 "[ . 1 .]" 1
2184 1 108 LEU H 1 108 LEU QB 2.800 . 3.800 2.486 2.219 2.603 . 0 0 "[ . 1 .]" 1
2185 1 55 GLU HA 1 56 ASN HB3 3.400 . 4.800 4.457 4.136 5.333 0.533 10 1 "[ . + .]" 1
2186 1 61 PRO HB2 1 67 GLY QA 3.000 . 4.100 2.936 1.176 4.115 0.724 1 1 "[+ . 1 .]" 1
2187 1 49 GLU H 1 49 GLU HG3 3.000 . 4.100 2.847 2.653 3.425 . 0 0 "[ . 1 .]" 1
2188 1 58 TYR HA 1 72 GLU HG2 2.700 . 3.600 2.401 2.198 2.505 . 0 0 "[ . 1 .]" 1
2189 1 52 PHE HB3 1 76 VAL QG 3.100 . 4.300 4.244 4.092 4.366 0.066 10 0 "[ . 1 .]" 1
2190 1 26 GLN HG3 1 73 HIS HE1 2.900 . 3.900 2.728 2.626 2.803 . 0 0 "[ . 1 .]" 1
2191 1 4 HIS QB 1 5 LYS H 3.200 . 4.500 3.139 2.288 3.241 . 0 0 "[ . 1 .]" 1
2192 1 37 TRP HZ3 1 88 LEU HB2 3.200 . 4.500 3.039 2.442 3.390 . 0 0 "[ . 1 .]" 1
2193 1 26 GLN HB3 1 26 GLN HE21 3.000 . 4.100 2.755 2.130 3.054 . 0 0 "[ . 1 .]" 1
2194 1 26 GLN HA 1 26 GLN HB2 2.600 . 3.400 2.327 2.271 2.366 . 0 0 "[ . 1 .]" 1
2195 1 24 GLU HG2 1 25 ILE H 3.400 . 4.800 3.770 3.539 3.944 . 0 0 "[ . 1 .]" 1
2196 1 46 SER HA 1 76 VAL QG 3.100 . 4.300 3.274 3.026 3.477 . 0 0 "[ . 1 .]" 1
2197 1 6 VAL HA 1 6 VAL MG1 3.000 . 4.100 2.311 1.866 2.967 0.034 6 0 "[ . 1 .]" 1
2198 1 43 THR MG 1 44 LYS H 3.100 . 4.300 2.414 2.142 2.616 . 0 0 "[ . 1 .]" 1
2199 1 71 THR MG 1 73 HIS HD2 3.200 . 4.400 2.514 2.200 2.785 . 0 0 "[ . 1 .]" 1
2200 1 59 PHE H 1 59 PHE HA 2.900 . 3.900 2.801 2.532 2.865 . 0 0 "[ . 1 .]" 1
2201 1 41 GLY HA2 1 43 THR H 3.000 . 4.100 3.189 2.136 3.554 . 0 0 "[ . 1 .]" 1
2202 1 37 TRP HB2 1 58 TYR QD 3.200 . 4.500 3.975 3.653 4.292 . 0 0 "[ . 1 .]" 1
2203 1 76 VAL QG 1 77 THR H 3.300 . 4.700 3.122 2.793 3.277 . 0 0 "[ . 1 .]" 1
2204 1 47 PRO HA 1 47 PRO HG3 3.300 . 4.700 2.762 2.561 3.096 . 0 0 "[ . 1 .]" 1
2205 1 31 PRO HB2 1 31 PRO HD3 3.200 . 4.500 2.169 2.153 2.186 . 0 0 "[ . 1 .]" 1
2206 1 88 LEU HG 1 104 PHE QE 3.100 . 4.300 2.835 1.802 3.177 0.098 15 0 "[ . 1 .]" 1
2207 1 5 LYS HA 1 6 VAL MG1 3.600 . 5.200 4.493 4.330 4.545 . 0 0 "[ . 1 .]" 1
2208 1 48 ASN HB3 1 78 VAL MG1 3.400 . 4.800 3.517 1.802 4.725 0.198 7 0 "[ . 1 .]" 1
2209 1 17 VAL H 1 17 VAL HB 3.200 . 4.500 3.203 3.158 3.277 . 0 0 "[ . 1 .]" 1
2210 1 26 GLN HA 1 26 GLN HE22 3.100 . 4.300 3.962 3.695 4.188 . 0 0 "[ . 1 .]" 1
2211 1 32 THR MG 1 90 TYR HB3 3.200 . 4.500 4.465 4.131 4.785 0.285 2 0 "[ . 1 .]" 1
2212 1 4 HIS QB 1 23 VAL MG1 3.600 . 5.200 2.712 2.236 2.938 . 0 0 "[ . 1 .]" 1
2213 1 54 VAL HB 1 55 GLU H 3.100 . 4.300 2.928 2.402 3.450 . 0 0 "[ . 1 .]" 1
2214 1 5 LYS HA 1 25 ILE MD 3.400 . 4.800 3.424 3.290 3.605 . 0 0 "[ . 1 .]" 1
2215 1 21 GLU HB3 1 22 LEU HA 3.700 . 5.400 4.554 4.368 4.749 . 0 0 "[ . 1 .]" 1
2216 1 65 LEU MD1 1 66 LEU H 3.600 . 5.200 3.351 2.661 3.600 . 0 0 "[ . 1 .]" 1
2217 1 16 THR HA 1 109 LYS HB2 3.000 . 4.100 2.466 2.193 2.795 . 0 0 "[ . 1 .]" 1
2218 1 4 HIS HA 1 19 VAL QG 3.700 . 5.400 5.026 4.492 5.293 . 0 0 "[ . 1 .]" 1
2219 1 17 VAL HB 1 18 ALA HA 3.400 . 4.800 4.371 4.155 4.464 . 0 0 "[ . 1 .]" 1
2220 1 25 ILE H 1 74 PHE H 3.100 . 4.300 3.246 3.002 3.500 . 0 0 "[ . 1 .]" 1
2221 1 35 PHE QB 1 36 ALA H 3.100 . 4.300 2.084 1.961 2.690 . 0 0 "[ . 1 .]" 1
2222 1 31 PRO QG 1 60 PRO HB3 3.300 . 4.700 3.227 1.675 3.564 0.225 14 0 "[ . 1 .]" 1
2223 1 25 ILE HG12 1 74 PHE HB2 3.600 . 5.200 3.619 3.494 3.926 . 0 0 "[ . 1 .]" 1
2224 1 62 ASP H 1 67 GLY QA 3.100 . 4.300 2.936 1.997 3.588 . 0 0 "[ . 1 .]" 1
2225 1 8 LYS HA 1 8 LYS HB3 3.400 . 4.800 2.577 2.554 2.601 . 0 0 "[ . 1 .]" 1
2226 1 34 GLY QA 1 92 ARG HB3 2.900 . 4.000 2.785 2.612 2.910 . 0 0 "[ . 1 .]" 1
2227 1 52 PHE HB3 1 53 THR MG 3.700 . 5.400 4.553 4.285 5.196 . 0 0 "[ . 1 .]" 1
2228 1 13 ALA MB 1 104 PHE QE 3.600 . 5.200 3.733 3.536 3.958 . 0 0 "[ . 1 .]" 1
2229 1 37 TRP HH2 1 103 ARG H 3.300 . 4.600 3.361 3.011 3.586 . 0 0 "[ . 1 .]" 1
2230 1 78 VAL H 1 78 VAL MG2 3.600 . 5.200 3.409 3.002 3.482 . 0 0 "[ . 1 .]" 1
2231 1 29 SER QB 1 37 TRP HD1 3.900 . 5.800 3.370 3.293 3.482 . 0 0 "[ . 1 .]" 1
2232 1 25 ILE H 1 26 GLN H 3.300 . 4.600 3.442 3.339 3.525 . 0 0 "[ . 1 .]" 1
2233 1 38 TYR QD 1 91 MET HB2 3.400 . 4.900 4.328 3.646 4.824 . 0 0 "[ . 1 .]" 1
2234 1 4 HIS HD2 1 6 VAL MG2 3.400 . 4.900 2.740 2.512 3.156 . 0 0 "[ . 1 .]" 1
2235 1 26 GLN HB2 1 75 HIS HD2 3.500 . 5.000 2.991 2.577 3.186 . 0 0 "[ . 1 .]" 1
2236 1 14 THR HA 1 106 VAL MG2 3.700 . 5.400 3.716 3.395 4.005 . 0 0 "[ . 1 .]" 1
2237 1 11 ASN HD21 1 105 THR H 3.300 . 4.700 2.375 1.849 3.477 0.051 15 0 "[ . 1 .]" 1
2238 1 26 GLN HA 1 74 PHE QD 3.800 . 5.600 3.404 3.263 3.629 . 0 0 "[ . 1 .]" 1
2239 1 5 LYS H 1 5 LYS QD 3.800 . 5.600 4.189 2.313 4.601 . 0 0 "[ . 1 .]" 1
2240 1 43 THR HB 1 45 GLU H 3.500 . 5.000 4.195 3.212 5.190 0.190 1 0 "[ . 1 .]" 1
2241 1 39 PHE HA 1 88 LEU QD 4.100 . 6.000 1.681 1.524 1.824 0.476 11 0 "[ . 1 .]" 1
2242 1 90 TYR HA 1 91 MET HB2 4.000 . 6.000 4.823 4.527 4.961 . 0 0 "[ . 1 .]" 1
2243 1 19 VAL QG 1 20 GLY HA2 3.900 . 5.800 3.062 2.797 3.408 . 0 0 "[ . 1 .]" 1
2244 1 17 VAL QG 1 78 VAL MG1 3.200 . 4.500 4.204 3.836 4.373 . 0 0 "[ . 1 .]" 1
2245 1 47 PRO QD 1 76 VAL QG 3.600 . 5.200 3.076 2.400 3.484 . 0 0 "[ . 1 .]" 1
2246 1 8 LYS HG3 1 30 ASN HD22 3.900 . 5.800 3.748 3.007 5.059 . 0 0 "[ . 1 .]" 1
2247 1 24 GLU HB2 1 75 HIS HD2 3.600 . 5.200 2.594 2.003 3.363 . 0 0 "[ . 1 .]" 1
2248 1 78 VAL HA 1 79 LYS QB 3.700 . 5.400 3.139 2.825 3.400 . 0 0 "[ . 1 .]" 1
2249 1 19 VAL QG 1 111 ASN QD 3.500 . 5.000 3.579 3.297 4.027 . 0 0 "[ . 1 .]" 1
2250 1 30 ASN HD22 1 32 THR MG 3.600 . 5.200 4.993 4.670 5.269 0.069 2 0 "[ . 1 .]" 1
2251 1 66 LEU H 1 67 GLY QA 4.000 . 6.000 3.756 3.196 4.335 . 0 0 "[ . 1 .]" 1
2252 1 40 GLU H 1 44 LYS HA 3.400 . 4.800 2.844 2.794 2.871 . 0 0 "[ . 1 .]" 1
2253 1 17 VAL H 1 109 LYS QG 4.100 . 6.000 4.117 3.475 4.462 . 0 0 "[ . 1 .]" 1
2254 1 104 PHE H 1 104 PHE QD 4.000 . 6.000 3.435 3.081 3.527 . 0 0 "[ . 1 .]" 1
2255 1 8 LYS HB2 1 26 GLN HE21 3.600 . 5.200 4.096 3.680 4.367 . 0 0 "[ . 1 .]" 1
2256 1 51 MET HB3 1 52 PHE HB3 3.800 . 5.600 3.662 1.933 4.288 0.067 8 0 "[ . 1 .]" 1
2257 1 16 THR MG 1 110 ALA H 3.900 . 5.800 4.492 3.338 5.110 . 0 0 "[ . 1 .]" 1
2258 1 72 GLU HA 1 73 HIS HA 3.900 . 5.800 3.922 3.899 3.946 . 0 0 "[ . 1 .]" 1
2259 1 10 HIS QB 1 104 PHE QD 4.100 . 6.000 4.057 3.925 4.246 . 0 0 "[ . 1 .]" 1
2260 1 36 ALA MB 1 42 GLY HA2 4.300 . 6.000 4.805 4.470 5.001 . 0 0 "[ . 1 .]" 1
2261 1 50 SER H 1 52 PHE HA 4.700 . 6.000 5.079 4.209 5.470 . 0 0 "[ . 1 .]" 1
2262 1 17 VAL QG 1 111 ASN QD 4.300 . 6.000 2.863 2.520 3.120 . 0 0 "[ . 1 .]" 1
2263 1 32 THR HB 1 33 THR H 4.000 . 6.000 3.090 2.355 3.317 . 0 0 "[ . 1 .]" 1
2264 1 13 ALA MB 1 105 THR H 3.800 . 5.600 5.720 5.540 5.812 0.212 10 0 "[ . 1 .]" 1
2265 1 58 TYR H 1 58 TYR QB 3.900 . 5.800 2.543 2.330 2.708 . 0 0 "[ . 1 .]" 1
2266 1 26 GLN HA 1 26 GLN HE21 4.500 . 6.000 3.568 3.304 3.678 . 0 0 "[ . 1 .]" 1
2267 1 77 THR MG 1 78 VAL H 3.900 . 5.800 2.314 2.211 2.425 . 0 0 "[ . 1 .]" 1
2268 1 34 GLY QA 1 35 PHE H 3.700 . 5.500 2.387 1.877 2.753 0.023 9 0 "[ . 1 .]" 1
2269 1 48 ASN H 1 48 ASN HB3 4.300 . 6.000 3.602 3.235 4.053 . 0 0 "[ . 1 .]" 1
2270 1 25 ILE HA 1 86 VAL HB 4.500 . 6.000 4.688 4.327 4.849 . 0 0 "[ . 1 .]" 1
2271 1 64 LYS HG3 1 66 LEU H 4.600 . 6.000 5.373 4.801 5.746 . 0 0 "[ . 1 .]" 1
2272 1 55 GLU H 1 56 ASN H 4.500 . 6.000 3.889 3.809 3.985 . 0 0 "[ . 1 .]" 1
2273 1 27 LEU HB2 1 30 ASN HD22 4.400 . 6.000 4.180 3.845 4.922 . 0 0 "[ . 1 .]" 1
2274 1 73 HIS QB 1 73 HIS HE1 4.700 . 6.000 3.910 3.789 4.015 . 0 0 "[ . 1 .]" 1
2275 1 34 GLY QA 1 92 ARG HD3 4.200 . 6.000 3.156 2.390 3.885 . 0 0 "[ . 1 .]" 1
2276 1 39 PHE QE 1 87 ASN HA 4.300 . 6.000 4.267 3.629 4.511 . 0 0 "[ . 1 .]" 1
2277 1 28 PRO HA 1 28 PRO HG2 4.300 . 6.000 3.659 3.601 3.698 . 0 0 "[ . 1 .]" 1
2278 1 92 ARG HA 1 94 TRP H 4.200 . 6.000 3.672 3.562 3.823 . 0 0 "[ . 1 .]" 1
2279 1 37 TRP HE3 1 72 GLU HB2 4.300 . 6.000 4.411 4.039 4.787 . 0 0 "[ . 1 .]" 1
2280 1 49 GLU HG3 1 50 SER H 4.200 . 6.000 3.573 2.432 4.794 . 0 0 "[ . 1 .]" 1
2281 1 4 HIS HD2 1 23 VAL HA 4.500 . 6.000 3.660 3.480 3.962 . 0 0 "[ . 1 .]" 1
2282 1 17 VAL HB 1 111 ASN QD 4.500 . 6.000 5.240 5.005 5.612 . 0 0 "[ . 1 .]" 1
2283 1 26 GLN HE22 1 28 PRO HG2 4.700 . 6.000 4.645 3.369 4.856 . 0 0 "[ . 1 .]" 1
2284 1 88 LEU HG 1 104 PHE H 4.400 . 6.000 3.656 3.436 4.371 . 0 0 "[ . 1 .]" 1
2285 1 93 PRO HD3 1 94 TRP HE3 4.000 . 6.000 2.652 2.355 3.004 . 0 0 "[ . 1 .]" 1
2286 1 47 PRO QD 1 84 HIS HD2 4.500 . 6.000 2.792 2.569 2.949 . 0 0 "[ . 1 .]" 1
2287 1 74 PHE H 1 75 HIS HD2 3.900 . 5.800 2.971 2.818 3.235 . 0 0 "[ . 1 .]" 1
2288 1 59 PHE H 1 59 PHE QB 4.700 . 6.000 2.338 1.866 2.529 0.034 8 0 "[ . 1 .]" 1
2289 1 37 TRP HZ3 1 103 ARG HB3 5.100 . 6.000 3.872 3.714 4.180 . 0 0 "[ . 1 .]" 1
2290 1 35 PHE QE 1 97 PRO HA 5.000 . 6.000 4.499 4.152 4.725 . 0 0 "[ . 1 .]" 1
2291 1 4 HIS HD2 1 4 HIS HE1 4.700 . 6.000 3.676 3.635 3.756 . 0 0 "[ . 1 .]" 1
2292 1 8 LYS HG3 1 11 ASN H 4.800 . 6.000 4.518 4.232 4.699 . 0 0 "[ . 1 .]" 1
2293 1 35 PHE QE 1 92 ARG HD3 4.700 . 6.000 4.091 3.106 4.516 . 0 0 "[ . 1 .]" 1
2294 1 54 VAL QG 1 56 ASN HD21 5.100 . 6.000 4.457 3.514 4.987 . 0 0 "[ . 1 .]" 1
2295 1 6 VAL H 1 6 VAL HA 4.500 . 6.000 2.820 2.538 2.906 . 0 0 "[ . 1 .]" 1
2296 1 27 LEU HG 1 74 PHE QD 5.200 . 6.000 4.842 4.575 4.993 . 0 0 "[ . 1 .]" 1
2297 1 17 VAL H 1 110 ALA MB 5.100 . 6.000 3.095 2.542 3.644 . 0 0 "[ . 1 .]" 1
2298 1 13 ALA HA 1 107 TYR QD 5.500 . 6.000 4.788 4.009 5.311 . 0 0 "[ . 1 .]" 1
2299 1 15 LEU QB 1 16 THR HB 5.600 . 6.000 4.048 3.822 4.414 . 0 0 "[ . 1 .]" 1
2300 1 25 ILE H 1 74 PHE QD 5.900 . 6.000 4.932 4.660 5.310 . 0 0 "[ . 1 .]" 1
2301 1 5 LYS HA 1 76 VAL H 5.700 . 6.000 5.466 5.125 5.677 . 0 0 "[ . 1 .]" 1
2302 1 39 PHE HZ 1 86 VAL HB 6.000 . 6.000 3.862 3.272 4.486 . 0 0 "[ . 1 .]" 1
2303 1 109 LYS HB3 1 111 ASN QD 6.000 . 6.000 3.119 2.699 3.611 . 0 0 "[ . 1 .]" 1
2304 1 18 ALA HA 1 111 ASN QD 6.000 . 6.000 3.693 2.992 4.340 . 0 0 "[ . 1 .]" 1
2305 1 6 VAL MG2 1 25 ILE H 6.000 . 6.000 3.517 3.441 3.628 . 0 0 "[ . 1 .]" 1
2306 1 55 GLU HB3 1 75 HIS H 6.000 . 6.000 4.398 3.160 4.945 . 0 0 "[ . 1 .]" 1
2307 1 25 ILE MD 1 25 ILE MG 1.900 . 2.300 1.689 1.527 1.844 . 0 0 "[ . 1 .]" 1
2308 1 77 THR HA 1 77 THR MG 2.100 . 2.700 2.011 1.967 2.039 . 0 0 "[ . 1 .]" 1
2309 1 63 SER HA 1 64 LYS HB3 2.900 . 6.000 5.009 4.584 5.351 . 0 0 "[ . 1 .]" 1
2310 1 27 LEU HB2 1 37 TRP HZ2 3.200 . 4.500 4.172 3.912 4.305 . 0 0 "[ . 1 .]" 1
2311 1 8 LYS HB2 1 27 LEU HG 6.000 . 6.000 5.226 4.851 5.637 . 0 0 "[ . 1 .]" 1
2312 1 49 GLU QB 1 53 THR MG 3.500 . 5.100 4.039 1.677 4.629 0.223 14 0 "[ . 1 .]" 1
2313 1 37 TRP HB3 1 37 TRP HZ2 3.900 . 5.800 5.276 4.789 5.801 0.001 1 0 "[ . 1 .]" 1
2314 1 35 PHE QE 1 92 ARG HA 4.300 . 6.000 4.298 3.978 4.672 . 0 0 "[ . 1 .]" 1
2315 1 27 LEU HG 1 37 TRP HZ2 4.100 . 6.000 4.318 4.129 4.939 . 0 0 "[ . 1 .]" 1
2316 1 47 PRO QD 1 54 VAL QG 4.200 . 6.000 4.017 3.562 4.467 . 0 0 "[ . 1 .]" 1
2317 1 39 PHE HB3 1 43 THR MG 5.000 . 6.000 5.118 4.671 5.433 . 0 0 "[ . 1 .]" 1
2318 1 11 ASN HB3 1 88 LEU HB3 5.500 . 6.000 6.034 5.929 6.100 0.100 13 0 "[ . 1 .]" 1
2319 1 29 SER QB 1 61 PRO QG 5.300 . 6.000 3.975 3.538 4.465 . 0 0 "[ . 1 .]" 1
2320 1 27 LEU HB3 1 28 PRO HG2 5.400 . 6.000 4.129 4.006 4.276 . 0 0 "[ . 1 .]" 1
2321 1 37 TRP HH2 1 102 GLU HB3 3.500 . 5.100 3.771 3.465 4.074 . 0 0 "[ . 1 .]" 1
2322 1 6 VAL H 1 24 GLU HB2 3.200 . 4.500 4.028 3.239 4.700 0.200 13 0 "[ . 1 .]" 1
2323 1 36 ALA MB 1 38 TYR H 6.000 . 6.000 3.759 3.506 3.892 . 0 0 "[ . 1 .]" 1
2324 1 26 GLN HB2 1 75 HIS H 6.000 . 6.000 3.205 2.693 5.544 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 78
_Distance_constraint_stats_list.Viol_count 159
_Distance_constraint_stats_list.Viol_total 266.438
_Distance_constraint_stats_list.Viol_max 2.141
_Distance_constraint_stats_list.Viol_rms 0.0979
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0152
_Distance_constraint_stats_list.Viol_average_violations_only 0.1117
_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 4 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 6 VAL 0.098 0.031 4 0 "[ . 1 .]"
1 7 THR 0.000 0.000 . 0 "[ . 1 .]"
1 8 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 9 ALA 4.133 0.200 14 0 "[ . 1 .]"
1 10 HIS 1.665 0.155 1 0 "[ . 1 .]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 12 GLY 4.133 0.200 14 0 "[ . 1 .]"
1 13 ALA 1.665 0.155 1 0 "[ . 1 .]"
1 15 LEU 0.055 0.055 14 0 "[ . 1 .]"
1 17 VAL 0.066 0.050 1 0 "[ . 1 .]"
1 23 VAL 0.774 0.090 4 0 "[ . 1 .]"
1 24 GLU 0.098 0.031 4 0 "[ . 1 .]"
1 25 ILE 0.002 0.002 4 0 "[ . 1 .]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 27 LEU 0.033 0.033 3 0 "[ . 1 .]"
1 36 ALA 1.243 0.139 15 0 "[ . 1 .]"
1 38 TYR 0.033 0.029 3 0 "[ . 1 .]"
1 53 THR 6.043 2.141 14 1 "[ . 1 +.]"
1 55 GLU 0.061 0.034 14 0 "[ . 1 .]"
1 57 LYS 0.268 0.048 12 0 "[ . 1 .]"
1 59 PHE 0.262 0.205 5 0 "[ . 1 .]"
1 71 THR 0.262 0.205 5 0 "[ . 1 .]"
1 72 GLU 0.033 0.033 3 0 "[ . 1 .]"
1 73 HIS 0.268 0.048 12 0 "[ . 1 .]"
1 74 PHE 0.002 0.002 4 0 "[ . 1 .]"
1 75 HIS 0.061 0.034 14 0 "[ . 1 .]"
1 76 VAL 0.774 0.090 4 0 "[ . 1 .]"
1 77 THR 6.043 2.141 14 1 "[ . 1 +.]"
1 82 GLY 0.056 0.037 1 0 "[ . 1 .]"
1 84 HIS 0.037 0.016 9 0 "[ . 1 .]"
1 86 VAL 2.192 0.263 9 0 "[ . 1 .]"
1 88 LEU 0.120 0.109 15 0 "[ . 1 .]"
1 89 THR 0.033 0.029 3 0 "[ . 1 .]"
1 90 TYR 0.619 0.117 9 0 "[ . 1 .]"
1 91 MET 1.243 0.139 15 0 "[ . 1 .]"
1 102 GLU 0.619 0.117 9 0 "[ . 1 .]"
1 104 PHE 0.120 0.109 15 0 "[ . 1 .]"
1 106 VAL 2.192 0.263 9 0 "[ . 1 .]"
1 107 TYR 0.055 0.055 14 0 "[ . 1 .]"
1 108 LEU 0.037 0.016 9 0 "[ . 1 .]"
1 109 LYS 0.066 0.050 1 0 "[ . 1 .]"
1 110 ALA 0.056 0.037 1 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 53 THR H 1 77 THR O 1.800 . 2.100 2.229 2.104 3.345 1.245 14 1 "[ . 1 +.]" 2
2 1 53 THR N 1 77 THR O 2.800 2.500 3.100 2.852 2.781 2.925 . 0 0 "[ . 1 .]" 2
3 1 53 THR O 1 77 THR H 1.800 . 2.100 2.124 1.822 4.241 2.141 14 1 "[ . 1 +.]" 2
4 1 53 THR O 1 77 THR N 2.800 2.500 3.100 3.030 2.761 5.060 1.960 14 1 "[ . 1 +.]" 2
5 1 55 GLU H 1 75 HIS O 1.800 . 2.100 1.697 1.573 2.082 . 0 0 "[ . 1 .]" 2
6 1 55 GLU N 1 75 HIS O 2.800 2.500 3.100 2.623 2.553 2.680 . 0 0 "[ . 1 .]" 2
7 1 55 GLU O 1 75 HIS H 1.800 . 2.100 1.883 1.725 2.134 0.034 14 0 "[ . 1 .]" 2
8 1 55 GLU O 1 75 HIS N 2.800 2.500 3.100 2.789 2.653 2.953 . 0 0 "[ . 1 .]" 2
9 1 57 LYS H 1 73 HIS O 1.800 . 2.100 2.067 1.771 2.148 0.048 12 0 "[ . 1 .]" 2
10 1 57 LYS N 1 73 HIS O 2.800 2.500 3.100 3.020 2.741 3.113 0.013 12 0 "[ . 1 .]" 2
11 1 57 LYS O 1 73 HIS H 1.800 . 2.100 1.773 1.576 2.009 . 0 0 "[ . 1 .]" 2
12 1 57 LYS O 1 73 HIS N 2.800 2.500 3.100 2.714 2.527 2.881 . 0 0 "[ . 1 .]" 2
13 1 59 PHE H 1 71 THR O 1.800 . 2.100 1.810 1.599 2.134 0.034 5 0 "[ . 1 .]" 2
14 1 59 PHE N 1 71 THR O 2.800 2.500 3.100 2.698 2.577 2.885 . 0 0 "[ . 1 .]" 2
15 1 59 PHE O 1 71 THR H 1.800 . 2.100 1.887 1.561 2.305 0.205 5 0 "[ . 1 .]" 2
16 1 59 PHE O 1 71 THR N 2.800 2.500 3.100 2.713 2.477 2.935 0.023 8 0 "[ . 1 .]" 2
17 1 23 VAL O 1 76 VAL H 1.800 . 2.100 2.043 1.835 2.155 0.055 8 0 "[ . 1 .]" 2
18 1 23 VAL O 1 76 VAL N 2.800 2.500 3.100 2.877 2.760 2.964 . 0 0 "[ . 1 .]" 2
19 1 23 VAL H 1 76 VAL O 1.800 . 2.100 2.121 1.910 2.190 0.090 4 0 "[ . 1 .]" 2
20 1 23 VAL N 1 76 VAL O 2.800 2.500 3.100 2.992 2.774 3.064 . 0 0 "[ . 1 .]" 2
21 1 25 ILE O 1 74 PHE H 1.800 . 2.100 1.646 1.612 1.715 . 0 0 "[ . 1 .]" 2
22 1 25 ILE O 1 74 PHE N 2.800 2.500 3.100 2.579 2.552 2.613 . 0 0 "[ . 1 .]" 2
23 1 25 ILE H 1 74 PHE O 1.800 . 2.100 1.748 1.579 2.102 0.002 4 0 "[ . 1 .]" 2
24 1 25 ILE N 1 74 PHE O 2.800 2.500 3.100 2.641 2.556 2.799 . 0 0 "[ . 1 .]" 2
25 1 27 LEU O 1 72 GLU H 1.800 . 2.100 1.845 1.673 2.133 0.033 3 0 "[ . 1 .]" 2
26 1 27 LEU O 1 72 GLU N 2.800 2.500 3.100 2.631 2.537 2.726 . 0 0 "[ . 1 .]" 2
27 1 27 LEU H 1 72 GLU O 1.800 . 2.100 1.814 1.629 2.057 . 0 0 "[ . 1 .]" 2
28 1 27 LEU N 1 72 GLU O 2.800 2.500 3.100 2.726 2.578 2.907 . 0 0 "[ . 1 .]" 2
29 1 4 HIS O 1 24 GLU H 1.800 . 2.100 1.764 1.624 1.945 . 0 0 "[ . 1 .]" 2
30 1 4 HIS O 1 24 GLU N 2.800 2.500 3.100 2.734 2.604 2.923 . 0 0 "[ . 1 .]" 2
31 1 6 VAL H 1 24 GLU O 1.800 . 2.100 2.041 1.902 2.131 0.031 4 0 "[ . 1 .]" 2
32 1 6 VAL N 1 24 GLU O 2.800 2.500 3.100 2.814 2.711 2.930 . 0 0 "[ . 1 .]" 2
33 1 6 VAL O 1 26 GLN H 1.800 . 2.100 1.772 1.664 1.923 . 0 0 "[ . 1 .]" 2
34 1 6 VAL O 1 26 GLN N 2.800 2.500 3.100 2.663 2.581 2.804 . 0 0 "[ . 1 .]" 2
35 1 82 GLY O 1 110 ALA H 1.800 . 2.100 1.967 1.785 2.137 0.037 1 0 "[ . 1 .]" 2
36 1 82 GLY O 1 110 ALA N 2.800 2.500 3.100 2.738 2.652 2.865 . 0 0 "[ . 1 .]" 2
37 1 82 GLY H 1 110 ALA O 1.800 . 2.100 1.954 1.826 2.119 0.019 6 0 "[ . 1 .]" 2
38 1 82 GLY N 1 110 ALA O 2.800 2.500 3.100 2.901 2.772 2.994 . 0 0 "[ . 1 .]" 2
39 1 84 HIS O 1 108 LEU H 1.800 . 2.100 2.003 1.887 2.116 0.016 9 0 "[ . 1 .]" 2
40 1 84 HIS O 1 108 LEU N 2.800 2.500 3.100 2.952 2.770 3.069 . 0 0 "[ . 1 .]" 2
41 1 84 HIS H 1 108 LEU O 1.800 . 2.100 1.736 1.634 1.872 . 0 0 "[ . 1 .]" 2
42 1 84 HIS N 1 108 LEU O 2.800 2.500 3.100 2.594 2.536 2.666 . 0 0 "[ . 1 .]" 2
43 1 86 VAL O 1 106 VAL H 1.800 . 2.100 2.240 2.165 2.363 0.263 9 0 "[ . 1 .]" 2
44 1 86 VAL O 1 106 VAL N 2.800 2.500 3.100 3.001 2.924 3.121 0.021 9 0 "[ . 1 .]" 2
45 1 86 VAL H 1 106 VAL O 1.800 . 2.100 1.877 1.751 2.143 0.043 9 0 "[ . 1 .]" 2
46 1 86 VAL N 1 106 VAL O 2.800 2.500 3.100 2.854 2.741 3.125 0.025 9 0 "[ . 1 .]" 2
47 1 88 LEU O 1 104 PHE H 1.800 . 2.100 1.611 1.584 1.672 . 0 0 "[ . 1 .]" 2
48 1 88 LEU O 1 104 PHE N 2.800 2.500 3.100 2.587 2.566 2.637 . 0 0 "[ . 1 .]" 2
49 1 88 LEU H 1 104 PHE O 1.800 . 2.100 2.014 1.916 2.209 0.109 15 0 "[ . 1 .]" 2
50 1 88 LEU N 1 104 PHE O 2.800 2.500 3.100 2.855 2.773 3.026 . 0 0 "[ . 1 .]" 2
51 1 90 TYR O 1 102 GLU H 1.800 . 2.100 2.120 1.853 2.217 0.117 9 0 "[ . 1 .]" 2
52 1 90 TYR O 1 102 GLU N 2.800 2.500 3.100 2.974 2.830 3.106 0.006 9 0 "[ . 1 .]" 2
53 1 90 TYR H 1 102 GLU O 1.800 . 2.100 1.709 1.636 1.798 . 0 0 "[ . 1 .]" 2
54 1 90 TYR N 1 102 GLU O 2.800 2.500 3.100 2.601 2.556 2.643 . 0 0 "[ . 1 .]" 2
55 1 38 TYR O 1 89 THR H 1.800 . 2.100 1.844 1.754 1.997 . 0 0 "[ . 1 .]" 2
56 1 38 TYR O 1 89 THR N 2.800 2.500 3.100 2.588 2.506 2.708 . 0 0 "[ . 1 .]" 2
57 1 38 TYR H 1 89 THR O 1.800 . 2.100 1.960 1.791 2.129 0.029 3 0 "[ . 1 .]" 2
58 1 38 TYR N 1 89 THR O 2.800 2.500 3.100 2.920 2.732 3.093 . 0 0 "[ . 1 .]" 2
59 1 36 ALA O 1 91 MET H 1.800 . 2.100 2.172 2.039 2.239 0.139 15 0 "[ . 1 .]" 2
60 1 36 ALA O 1 91 MET N 2.800 2.500 3.100 2.982 2.827 3.073 . 0 0 "[ . 1 .]" 2
61 1 36 ALA H 1 91 MET O 1.800 . 2.100 1.776 1.656 2.157 0.057 9 0 "[ . 1 .]" 2
62 1 36 ALA N 1 91 MET O 2.800 2.500 3.100 2.672 2.594 2.766 . 0 0 "[ . 1 .]" 2
63 1 17 VAL H 1 109 LYS O 1.800 . 2.100 1.978 1.763 2.150 0.050 1 0 "[ . 1 .]" 2
64 1 17 VAL N 1 109 LYS O 2.800 2.500 3.100 2.882 2.708 3.034 . 0 0 "[ . 1 .]" 2
65 1 15 LEU O 1 109 LYS H 1.800 . 4.100 2.239 2.080 2.349 . 0 0 "[ . 1 .]" 2
66 1 15 LEU O 1 109 LYS N 2.800 2.500 5.100 2.997 2.873 3.107 . 0 0 "[ . 1 .]" 2
67 1 15 LEU H 1 107 TYR O 1.800 . 2.100 1.806 1.691 2.155 0.055 14 0 "[ . 1 .]" 2
68 1 15 LEU N 1 107 TYR O 2.800 2.500 3.100 2.735 2.636 3.024 . 0 0 "[ . 1 .]" 2
69 1 13 ALA O 1 107 TYR H 1.800 . 2.100 1.886 1.698 2.060 . 0 0 "[ . 1 .]" 2
70 1 13 ALA O 1 107 TYR N 2.800 2.500 3.100 2.831 2.660 2.965 . 0 0 "[ . 1 .]" 2
71 1 9 ALA O 1 12 GLY H 1.800 . 2.100 2.264 2.240 2.300 0.200 14 0 "[ . 1 .]" 2
72 1 9 ALA O 1 12 GLY N 2.800 2.500 3.100 3.212 3.192 3.246 0.146 9 0 "[ . 1 .]" 2
73 1 8 LYS O 1 11 ASN H 1.800 . 2.100 1.875 1.778 2.034 . 0 0 "[ . 1 .]" 2
74 1 8 LYS O 1 11 ASN N 2.800 2.500 3.100 2.788 2.689 2.931 . 0 0 "[ . 1 .]" 2
75 1 10 HIS O 1 13 ALA H 1.800 . 2.100 2.211 2.107 2.255 0.155 1 0 "[ . 1 .]" 2
76 1 10 HIS O 1 13 ALA N 2.800 2.500 3.100 2.938 2.716 3.000 . 0 0 "[ . 1 .]" 2
77 1 7 THR O 1 10 HIS H 1.800 . 2.100 1.891 1.777 2.022 . 0 0 "[ . 1 .]" 2
78 1 7 THR O 1 10 HIS N 2.800 2.500 3.100 2.752 2.694 2.835 . 0 0 "[ . 1 .]" 2
stop_
save_