NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400045 |
1uil   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1uil
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 1803
_Distance_constraint_stats_list.Viol_count 3082
_Distance_constraint_stats_list.Viol_total 6953.111
_Distance_constraint_stats_list.Viol_max 1.141
_Distance_constraint_stats_list.Viol_rms 0.0574
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.1128
_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 7 GLY 2.089 0.274 4 0 "[ . 1 . 2]"
1 8 LEU 7.122 0.866 15 3 "[ . 1- + * 2]"
1 9 GLU 11.789 0.612 1 5 "[+ . 1 * ** - 2]"
1 10 SER 14.632 0.612 1 5 "[+ . 1 * ** - 2]"
1 11 GLU 6.710 0.491 10 0 "[ . 1 . 2]"
1 12 GLU 12.353 0.454 20 0 "[ . 1 . 2]"
1 13 VAL 13.369 0.454 20 0 "[ . 1 . 2]"
1 14 ASP 8.945 1.045 3 6 "[ *+-.* * 1 *. 2]"
1 15 LEU 8.323 1.045 3 6 "[ *+-.* * 1 *. 2]"
1 16 ASN 1.127 0.247 10 0 "[ . 1 . 2]"
1 17 ALA 0.061 0.040 6 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 1.227 0.375 16 0 "[ . 1 . 2]"
1 20 HIS 0.616 0.351 15 0 "[ . 1 . 2]"
1 21 GLY 5.141 0.363 15 0 "[ . 1 . 2]"
1 22 ASN 5.107 0.356 6 0 "[ . 1 . 2]"
1 23 TRP 35.817 1.141 17 13 "[* *** -** ** * +* *]"
1 24 THR 5.796 0.313 15 0 "[ . 1 . 2]"
1 25 LEU 18.198 0.468 11 0 "[ . 1 . 2]"
1 26 GLU 8.077 0.439 11 0 "[ . 1 . 2]"
1 27 ASN 5.348 0.534 20 1 "[ . 1 . +]"
1 28 ALA 2.872 0.176 11 0 "[ . 1 . 2]"
1 29 LYS 1.158 0.398 11 0 "[ . 1 . 2]"
1 30 ALA 0.418 0.146 8 0 "[ . 1 . 2]"
1 31 ARG 0.974 0.513 8 1 "[ . + 1 . 2]"
1 32 LEU 3.076 0.340 10 0 "[ . 1 . 2]"
1 33 ASN 1.775 0.146 8 0 "[ . 1 . 2]"
1 34 GLN 1.798 0.312 13 0 "[ . 1 . 2]"
1 35 TYR 1.892 0.596 14 1 "[ . 1 +. 2]"
1 36 PHE 4.967 0.364 10 0 "[ . 1 . 2]"
1 37 GLN 10.094 0.614 10 4 "[ . * +-* . 2]"
1 38 LYS 5.546 0.718 15 2 "[ . 1- + 2]"
1 39 GLU 1.223 0.596 14 1 "[ . 1 +. 2]"
1 40 LYS 3.058 0.237 13 0 "[ . 1 . 2]"
1 41 ILE 22.908 1.077 4 15 "[***+* ** **** ***-]"
1 42 GLN 11.644 0.467 3 0 "[ . 1 . 2]"
1 43 GLY 9.067 0.403 18 0 "[ . 1 . 2]"
1 44 GLU 11.846 0.444 9 0 "[ . 1 . 2]"
1 45 TYR 7.518 0.444 9 0 "[ . 1 . 2]"
1 46 LYS 4.726 0.756 15 6 "[ * . * * + - *2]"
1 47 TYR 12.878 1.097 9 7 "[ * . +* * * - *2]"
1 48 THR 1.340 0.097 8 0 "[ . 1 . 2]"
1 49 GLN 1.238 0.389 13 0 "[ . 1 . 2]"
1 50 VAL 11.875 0.900 8 8 "[ ***. + -* .** 2]"
1 51 GLY 3.332 0.180 13 0 "[ . 1 . 2]"
1 52 PRO 5.772 0.180 13 0 "[ . 1 . 2]"
1 53 ASP 11.022 0.880 16 7 "[ **** 1 .+- *2]"
1 54 HIS 0.003 0.002 5 0 "[ . 1 . 2]"
1 55 ASN 7.935 0.598 17 1 "[ . 1 . + 2]"
1 56 ARG 13.977 0.900 8 10 "[ * ****+ 1* .*- *2]"
1 57 SER 8.648 0.766 8 8 "[ ***. + ** .*- 2]"
1 58 PHE 8.334 0.502 16 1 "[ . 1 .+ 2]"
1 59 ILE 9.300 0.502 16 1 "[ . 1 .+ 2]"
1 60 ALA 3.258 0.326 6 0 "[ . 1 . 2]"
1 61 GLU 2.877 0.326 6 0 "[ . 1 . 2]"
1 62 MET 4.318 0.306 1 0 "[ . 1 . 2]"
1 63 THR 11.693 0.415 15 0 "[ . 1 . 2]"
1 64 ILE 17.624 1.077 4 15 "[***+* ** **** ***-]"
1 65 TYR 5.601 0.173 19 0 "[ . 1 . 2]"
1 66 ILE 3.681 0.173 19 0 "[ . 1 . 2]"
1 67 LYS 1.758 0.067 14 0 "[ . 1 . 2]"
1 68 GLN 10.504 0.370 15 0 "[ . 1 . 2]"
1 69 LEU 10.645 0.370 15 0 "[ . 1 . 2]"
1 70 GLY 2.223 0.227 19 0 "[ . 1 . 2]"
1 71 ARG 2.542 0.248 10 0 "[ . 1 . 2]"
1 72 ARG 14.284 0.503 11 1 "[ . 1+ . 2]"
1 73 ILE 4.058 0.503 11 1 "[ . 1+ . 2]"
1 74 PHE 3.773 0.580 9 1 "[ . +1 . 2]"
1 75 ALA 1.306 0.102 13 0 "[ . 1 . 2]"
1 76 ARG 2.819 0.580 9 1 "[ . +1 . 2]"
1 77 GLU 1.340 0.271 16 0 "[ . 1 . 2]"
1 78 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.145 0.145 12 0 "[ . 1 . 2]"
1 80 SER 0.019 0.008 10 0 "[ . 1 . 2]"
1 81 ASN 2.333 0.791 15 1 "[ . 1 + 2]"
1 82 LYS 14.625 0.740 12 1 "[ . 1 + . 2]"
1 83 LYS 0.741 0.144 1 0 "[ . 1 . 2]"
1 84 LEU 3.224 0.791 15 1 "[ . 1 + 2]"
1 85 ALA 5.519 1.097 9 2 "[ . +1 - . 2]"
1 86 ALA 0.520 0.388 1 0 "[ . 1 . 2]"
1 87 GLN 3.965 0.468 11 0 "[ . 1 . 2]"
1 88 SER 0.283 0.056 7 0 "[ . 1 . 2]"
1 89 CYS 0.361 0.029 17 0 "[ . 1 . 2]"
1 90 ALA 2.630 0.340 10 0 "[ . 1 . 2]"
1 91 LEU 10.593 0.652 9 2 "[ . -+1 . 2]"
1 92 SER 0.051 0.051 13 0 "[ . 1 . 2]"
1 93 LEU 17.332 0.940 10 8 "[ . ***+ .** *-]"
1 94 VAL 1.044 0.172 12 0 "[ . 1 . 2]"
1 95 ARG 5.055 0.528 8 1 "[ . + 1 . 2]"
1 96 GLN 14.969 0.940 10 8 "[ . ***+ .** *-]"
1 97 LEU 11.721 0.432 9 0 "[ . 1 . 2]"
1 98 TYR 0.910 0.221 14 0 "[ . 1 . 2]"
1 99 HIS 0.346 0.114 18 0 "[ . 1 . 2]"
1 100 LEU 4.761 0.432 9 0 "[ . 1 . 2]"
1 101 GLY 0.066 0.027 14 0 "[ . 1 . 2]"
1 102 VAL 2.246 0.295 14 0 "[ . 1 . 2]"
1 103 ILE 11.500 0.687 9 1 "[ . +1 . 2]"
1 104 GLU 1.205 0.180 9 0 "[ . 1 . 2]"
1 105 ALA 2.417 0.138 2 0 "[ . 1 . 2]"
1 106 TYR 29.297 1.141 17 14 "[* *** * -* ** **+* *]"
1 107 SER 8.717 0.471 11 0 "[ . 1 . 2]"
1 108 SER 5.992 0.933 16 2 "[ . - 1 .+ 2]"
1 109 GLY 0.796 0.121 1 0 "[ . 1 . 2]"
1 110 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
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 67 LYS H 1 68 GLN H . . 4.470 2.424 2.275 2.528 . 0 0 "[ . 1 . 2]" 1
2 1 66 ILE H 1 67 LYS H . . 4.780 4.326 4.267 4.382 . 0 0 "[ . 1 . 2]" 1
3 1 66 ILE H 1 73 ILE H . . 5.040 4.317 4.171 4.500 . 0 0 "[ . 1 . 2]" 1
4 1 65 TYR HA 1 66 ILE H . . 3.460 2.235 2.213 2.247 . 0 0 "[ . 1 . 2]" 1
5 1 60 ALA H 1 77 GLU H . . 4.550 3.855 3.671 4.109 . 0 0 "[ . 1 . 2]" 1
6 1 48 THR HA 1 49 GLN H . . 3.230 2.158 2.150 2.173 . 0 0 "[ . 1 . 2]" 1
7 1 65 TYR H 1 66 ILE H . . 5.030 4.465 4.432 4.526 . 0 0 "[ . 1 . 2]" 1
8 1 65 TYR H 1 65 TYR QD . . 4.760 3.941 3.918 3.979 . 0 0 "[ . 1 . 2]" 1
9 1 64 ILE HA 1 65 TYR H . . 3.170 2.358 2.264 2.421 . 0 0 "[ . 1 . 2]" 1
10 1 46 LYS HA 1 47 TYR H . . 3.330 2.196 2.177 2.210 . 0 0 "[ . 1 . 2]" 1
11 1 88 SER H 1 89 CYS H . . 3.940 2.906 2.620 3.089 . 0 0 "[ . 1 . 2]" 1
12 1 86 ALA MB 1 89 CYS H . . 4.950 4.601 4.413 4.808 . 0 0 "[ . 1 . 2]" 1
13 1 31 ARG HB2 1 32 LEU H . . 4.110 3.536 2.691 3.822 . 0 0 "[ . 1 . 2]" 1
14 1 106 TYR H 1 107 SER H . . 4.700 4.525 4.236 4.662 . 0 0 "[ . 1 . 2]" 1
15 1 50 VAL H 1 57 SER H . . 4.670 2.453 2.344 2.582 . 0 0 "[ . 1 . 2]" 1
16 1 44 GLU HA 1 45 TYR H . . 3.020 2.608 2.258 2.798 . 0 0 "[ . 1 . 2]" 1
17 1 45 TYR H 1 45 TYR HB2 . . 3.720 2.270 2.108 2.360 . 0 0 "[ . 1 . 2]" 1
18 1 24 THR H 1 28 ALA H . . 4.650 3.228 2.801 3.376 . 0 0 "[ . 1 . 2]" 1
19 1 61 GLU HA 1 77 GLU H . . 5.130 3.299 3.203 3.500 . 0 0 "[ . 1 . 2]" 1
20 1 84 LEU H 1 85 ALA H . . 3.760 3.234 2.777 3.334 . 0 0 "[ . 1 . 2]" 1
21 1 79 GLY HA3 1 85 ALA H . . 4.510 2.529 2.228 2.889 . 0 0 "[ . 1 . 2]" 1
22 1 84 LEU HB2 1 85 ALA H . . 4.090 2.410 2.133 4.056 . 0 0 "[ . 1 . 2]" 1
23 1 17 ALA H 1 18 GLY H . . 4.910 2.889 2.662 3.201 . 0 0 "[ . 1 . 2]" 1
24 1 10 SER HA 1 11 GLU H . . 3.180 2.532 2.304 3.225 0.045 11 0 "[ . 1 . 2]" 1
25 1 10 SER HB2 1 11 GLU H . . 4.150 4.405 4.074 4.641 0.491 10 0 "[ . 1 . 2]" 1
26 1 11 GLU H 1 11 GLU HB2 . . 3.450 2.958 2.120 3.867 0.417 20 0 "[ . 1 . 2]" 1
27 1 11 GLU H 1 11 GLU QG . . 3.900 3.103 1.947 3.794 . 0 0 "[ . 1 . 2]" 1
28 1 11 GLU H 1 11 GLU HB3 . . 3.910 3.415 2.301 3.934 0.024 17 0 "[ . 1 . 2]" 1
29 1 34 GLN H 1 35 TYR H . . 4.030 2.689 2.462 2.831 . 0 0 "[ . 1 . 2]" 1
30 1 34 GLN QB 1 35 TYR H . . 4.200 2.723 2.550 2.971 . 0 0 "[ . 1 . 2]" 1
31 1 56 ARG H 1 56 ARG QG . . 3.630 2.119 1.916 2.858 . 0 0 "[ . 1 . 2]" 1
32 1 95 ARG HA 1 98 TYR H . . 4.810 3.663 3.373 3.973 . 0 0 "[ . 1 . 2]" 1
33 1 98 TYR H 1 98 TYR HB3 . . 3.980 2.133 1.965 2.337 . 0 0 "[ . 1 . 2]" 1
34 1 12 GLU H 1 12 GLU HB3 . . 3.630 3.196 2.950 3.599 . 0 0 "[ . 1 . 2]" 1
35 1 8 LEU H 1 9 GLU QG . . 4.990 4.641 3.576 5.157 0.167 17 0 "[ . 1 . 2]" 1
36 1 55 ASN H 1 56 ARG H . . 4.240 3.518 3.460 3.623 . 0 0 "[ . 1 . 2]" 1
37 1 55 ASN H 1 56 ARG QB . . 4.820 4.208 3.980 4.933 0.113 13 0 "[ . 1 . 2]" 1
38 1 52 PRO HG3 1 55 ASN H . . 4.770 4.574 4.408 4.660 . 0 0 "[ . 1 . 2]" 1
39 1 9 GLU H 1 9 GLU QG . . 3.920 2.967 1.922 4.062 0.142 11 0 "[ . 1 . 2]" 1
40 1 7 GLY HA3 1 8 LEU H . . 3.370 3.173 2.204 3.644 0.274 4 0 "[ . 1 . 2]" 1
41 1 8 LEU H 1 8 LEU QB . . 3.130 2.697 2.058 3.133 0.003 5 0 "[ . 1 . 2]" 1
42 1 72 ARG H 1 72 ARG HG3 . . 3.360 1.967 1.925 2.014 . 0 0 "[ . 1 . 2]" 1
43 1 72 ARG H 1 72 ARG HG2 . . 4.200 3.231 3.119 3.363 . 0 0 "[ . 1 . 2]" 1
44 1 8 LEU HA 1 9 GLU H . . 3.230 2.464 2.178 3.003 . 0 0 "[ . 1 . 2]" 1
45 1 9 GLU H 1 9 GLU HB3 . . 3.580 3.108 2.497 3.605 0.025 12 0 "[ . 1 . 2]" 1
46 1 8 LEU QB 1 9 GLU H . . 3.750 3.322 1.917 4.095 0.345 17 0 "[ . 1 . 2]" 1
47 1 8 LEU H 1 8 LEU MD1 . . 4.460 3.818 2.659 4.427 . 0 0 "[ . 1 . 2]" 1
48 1 12 GLU H 1 13 VAL H . . 3.770 3.650 2.789 4.045 0.275 10 0 "[ . 1 . 2]" 1
49 1 73 ILE MG 1 74 PHE H . . 4.270 3.722 3.293 3.925 . 0 0 "[ . 1 . 2]" 1
50 1 24 THR HA 1 25 LEU H . . 3.390 2.295 2.255 2.355 . 0 0 "[ . 1 . 2]" 1
51 1 98 TYR HB3 1 99 HIS H . . 4.430 2.414 2.117 2.947 . 0 0 "[ . 1 . 2]" 1
52 1 37 GLN HB2 1 38 LYS H . . 3.670 3.156 2.607 4.176 0.506 11 1 "[ . 1+ . 2]" 1
53 1 99 HIS H 1 99 HIS HD2 . . 4.650 4.300 4.039 4.764 0.114 18 0 "[ . 1 . 2]" 1
54 1 98 TYR HB2 1 99 HIS H . . 4.740 3.836 3.644 4.193 . 0 0 "[ . 1 . 2]" 1
55 1 97 LEU HB2 1 99 HIS H . . 5.300 5.109 4.654 5.312 0.012 17 0 "[ . 1 . 2]" 1
56 1 61 GLU H 1 62 MET H . . 4.850 4.471 4.406 4.522 . 0 0 "[ . 1 . 2]" 1
57 1 62 MET H 1 76 ARG HA . . 4.630 3.625 3.533 3.801 . 0 0 "[ . 1 . 2]" 1
58 1 58 PHE H 1 59 ILE H . . 4.000 4.305 3.953 4.502 0.502 16 1 "[ . 1 .+ 2]" 1
59 1 81 ASN H 1 84 LEU H . . 4.550 3.516 3.155 3.748 . 0 0 "[ . 1 . 2]" 1
60 1 84 LEU H 1 84 LEU HB3 . . 3.660 3.448 1.996 3.539 . 0 0 "[ . 1 . 2]" 1
61 1 84 LEU H 1 84 LEU HB2 . . 3.630 2.377 2.261 3.086 . 0 0 "[ . 1 . 2]" 1
62 1 83 LYS HG2 1 84 LEU H . . 4.810 4.504 3.517 4.834 0.024 12 0 "[ . 1 . 2]" 1
63 1 104 GLU HA 1 105 ALA H . . 3.430 2.469 2.269 3.483 0.053 18 0 "[ . 1 . 2]" 1
64 1 104 GLU HB3 1 105 ALA H . . 4.010 3.783 1.934 4.101 0.091 14 0 "[ . 1 . 2]" 1
65 1 104 GLU HB2 1 105 ALA H . . 3.870 2.908 1.909 3.329 . 0 0 "[ . 1 . 2]" 1
66 1 62 MET HA 1 63 THR H . . 3.320 2.302 2.228 2.366 . 0 0 "[ . 1 . 2]" 1
67 1 62 MET HB2 1 63 THR H . . 4.580 4.013 3.863 4.200 . 0 0 "[ . 1 . 2]" 1
68 1 62 MET HB3 1 63 THR H . . 4.990 4.178 4.023 4.340 . 0 0 "[ . 1 . 2]" 1
69 1 18 GLY H 1 19 LEU H . . 4.120 2.845 2.449 3.191 . 0 0 "[ . 1 . 2]" 1
70 1 19 LEU H 1 21 GLY H . . 5.130 4.504 3.899 4.888 . 0 0 "[ . 1 . 2]" 1
71 1 19 LEU H 1 20 HIS H . . 3.760 2.793 2.203 3.121 . 0 0 "[ . 1 . 2]" 1
72 1 19 LEU H 1 20 HIS HD2 . . 5.000 4.190 3.077 4.933 . 0 0 "[ . 1 . 2]" 1
73 1 85 ALA H 1 86 ALA H . . 3.460 3.178 2.965 3.284 . 0 0 "[ . 1 . 2]" 1
74 1 82 LYS HA 1 86 ALA H . . 5.270 3.625 3.354 3.980 . 0 0 "[ . 1 . 2]" 1
75 1 106 TYR QD 1 107 SER H . . 3.800 2.248 1.863 2.665 . 0 0 "[ . 1 . 2]" 1
76 1 106 TYR HB3 1 107 SER H . . 4.500 3.044 2.101 4.043 . 0 0 "[ . 1 . 2]" 1
77 1 106 TYR HB2 1 107 SER H . . 4.330 3.837 3.391 4.523 0.193 6 0 "[ . 1 . 2]" 1
78 1 87 GLN HA 1 90 ALA H . . 4.130 3.652 3.338 3.913 . 0 0 "[ . 1 . 2]" 1
79 1 86 ALA MB 1 90 ALA H . . 4.950 4.327 4.152 4.485 . 0 0 "[ . 1 . 2]" 1
80 1 89 CYS H 1 90 ALA H . . 3.850 2.956 2.756 3.092 . 0 0 "[ . 1 . 2]" 1
81 1 90 ALA H 1 91 LEU H . . 3.950 3.179 3.087 3.298 . 0 0 "[ . 1 . 2]" 1
82 1 90 ALA H 1 93 LEU MD2 . . 4.600 3.650 3.474 3.835 . 0 0 "[ . 1 . 2]" 1
83 1 23 TRP H 1 24 THR H . . 4.910 4.109 3.606 4.590 . 0 0 "[ . 1 . 2]" 1
84 1 22 ASN H 1 23 TRP H . . 3.760 3.674 3.209 3.826 0.066 2 0 "[ . 1 . 2]" 1
85 1 29 LYS H 1 30 ALA H . . 3.730 3.177 2.937 3.325 . 0 0 "[ . 1 . 2]" 1
86 1 30 ALA H 1 31 ARG H . . 3.730 3.117 2.821 3.284 . 0 0 "[ . 1 . 2]" 1
87 1 31 ARG HA 1 34 GLN H . . 4.170 3.210 3.064 3.356 . 0 0 "[ . 1 . 2]" 1
88 1 33 ASN QB 1 34 GLN H . . 3.690 2.650 2.436 2.865 . 0 0 "[ . 1 . 2]" 1
89 1 83 LYS H 1 84 LEU H . . 3.680 3.174 2.915 3.296 . 0 0 "[ . 1 . 2]" 1
90 1 83 LYS H 1 83 LYS HB2 . . 3.230 2.115 2.005 2.491 . 0 0 "[ . 1 . 2]" 1
91 1 83 LYS H 1 83 LYS HG3 . . 4.300 3.888 3.209 4.444 0.144 1 0 "[ . 1 . 2]" 1
92 1 82 LYS HB2 1 83 LYS H . . 4.020 2.676 2.433 2.935 . 0 0 "[ . 1 . 2]" 1
93 1 94 VAL H 1 94 VAL QG . . 3.050 2.014 1.890 2.263 . 0 0 "[ . 1 . 2]" 1
94 1 30 ALA H 1 33 ASN QB . . 5.280 4.929 4.717 5.104 . 0 0 "[ . 1 . 2]" 1
95 1 93 LEU H 1 94 VAL H . . 3.900 2.603 2.498 2.677 . 0 0 "[ . 1 . 2]" 1
96 1 92 SER H 1 93 LEU H . . 4.000 2.856 2.783 3.106 . 0 0 "[ . 1 . 2]" 1
97 1 97 LEU H 1 98 TYR H . . 4.140 2.940 2.750 3.153 . 0 0 "[ . 1 . 2]" 1
98 1 96 GLN H 1 97 LEU H . . 4.280 2.850 2.728 3.003 . 0 0 "[ . 1 . 2]" 1
99 1 97 LEU H 1 97 LEU HB2 . . 4.130 2.370 2.204 2.507 . 0 0 "[ . 1 . 2]" 1
100 1 81 ASN HB3 1 82 LYS H . . 4.080 3.150 2.290 3.935 . 0 0 "[ . 1 . 2]" 1
101 1 28 ALA H 1 29 LYS H . . 3.960 3.181 2.993 3.331 . 0 0 "[ . 1 . 2]" 1
102 1 29 LYS H 1 29 LYS HB2 . . 3.370 2.422 2.015 2.721 . 0 0 "[ . 1 . 2]" 1
103 1 48 THR H 1 59 ILE H . . 4.280 2.608 2.187 2.787 . 0 0 "[ . 1 . 2]" 1
104 1 47 TYR QB 1 48 THR H . . 4.250 3.429 3.342 3.508 . 0 0 "[ . 1 . 2]" 1
105 1 28 ALA HA 1 31 ARG H . . 4.420 3.966 3.527 4.262 . 0 0 "[ . 1 . 2]" 1
106 1 24 THR H 1 27 ASN HB3 . . 5.260 3.429 2.633 3.736 . 0 0 "[ . 1 . 2]" 1
107 1 31 ARG H 1 32 LEU H . . 3.280 3.131 2.891 3.267 . 0 0 "[ . 1 . 2]" 1
108 1 31 ARG H 1 31 ARG HB3 . . 3.820 2.805 2.502 3.482 . 0 0 "[ . 1 . 2]" 1
109 1 31 ARG H 1 31 ARG QG . . 4.450 3.862 2.736 4.072 . 0 0 "[ . 1 . 2]" 1
110 1 52 PRO HA 1 53 ASP H . . 3.440 2.342 2.235 2.390 . 0 0 "[ . 1 . 2]" 1
111 1 53 ASP H 1 53 ASP HB2 . . 3.600 2.428 2.175 2.611 . 0 0 "[ . 1 . 2]" 1
112 1 86 ALA H 1 87 GLN H . . 4.020 3.029 2.753 3.263 . 0 0 "[ . 1 . 2]" 1
113 1 84 LEU HA 1 87 GLN H . . 4.240 3.580 3.237 3.928 . 0 0 "[ . 1 . 2]" 1
114 1 85 ALA MB 1 87 GLN H . . 4.840 4.649 4.388 4.888 0.048 16 0 "[ . 1 . 2]" 1
115 1 95 ARG H 1 95 ARG QD . . 4.770 3.464 2.311 4.161 . 0 0 "[ . 1 . 2]" 1
116 1 95 ARG H 1 95 ARG HG3 . . 4.200 2.968 2.141 3.613 . 0 0 "[ . 1 . 2]" 1
117 1 95 ARG H 1 95 ARG HB2 . . 4.070 2.269 2.049 2.685 . 0 0 "[ . 1 . 2]" 1
118 1 94 VAL HB 1 95 ARG H . . 3.950 2.276 1.973 2.577 . 0 0 "[ . 1 . 2]" 1
119 1 95 ARG H 1 96 GLN H . . 4.110 3.026 2.856 3.153 . 0 0 "[ . 1 . 2]" 1
120 1 36 PHE H 1 37 GLN H . . 3.750 2.367 2.300 2.421 . 0 0 "[ . 1 . 2]" 1
121 1 35 TYR H 1 36 PHE H . . 3.840 2.674 2.439 2.820 . 0 0 "[ . 1 . 2]" 1
122 1 36 PHE H 1 36 PHE HB2 . . 3.780 2.230 2.168 2.266 . 0 0 "[ . 1 . 2]" 1
123 1 35 TYR HB3 1 36 PHE H . . 4.030 2.737 2.622 2.829 . 0 0 "[ . 1 . 2]" 1
124 1 102 VAL H 1 103 ILE H . . 3.540 2.094 1.897 2.674 . 0 0 "[ . 1 . 2]" 1
125 1 100 LEU H 1 101 GLY H . . 3.700 2.842 2.572 2.967 . 0 0 "[ . 1 . 2]" 1
126 1 99 HIS H 1 100 LEU H . . 4.090 2.981 2.622 3.182 . 0 0 "[ . 1 . 2]" 1
127 1 100 LEU H 1 100 LEU HB3 . . 3.790 3.500 3.462 3.524 . 0 0 "[ . 1 . 2]" 1
128 1 107 SER HA 1 108 SER H . . 3.250 3.053 2.217 3.550 0.300 7 0 "[ . 1 . 2]" 1
129 1 108 SER H 1 108 SER HB3 . . 3.920 2.959 2.069 4.026 0.106 7 0 "[ . 1 . 2]" 1
130 1 107 SER QB 1 108 SER H . . 4.220 3.420 1.813 3.917 . 0 0 "[ . 1 . 2]" 1
131 1 20 HIS H 1 21 GLY H . . 4.420 3.008 2.460 3.232 . 0 0 "[ . 1 . 2]" 1
132 1 41 ILE H 1 41 ILE HG13 . . 4.010 2.447 2.206 2.548 . 0 0 "[ . 1 . 2]" 1
133 1 39 GLU HB3 1 41 ILE H . . 4.620 3.276 2.962 3.407 . 0 0 "[ . 1 . 2]" 1
134 1 64 ILE H 1 73 ILE H . . 4.460 3.198 3.133 3.410 . 0 0 "[ . 1 . 2]" 1
135 1 65 TYR HA 1 73 ILE H . . 4.500 3.222 3.094 3.376 . 0 0 "[ . 1 . 2]" 1
136 1 72 ARG HB2 1 73 ILE H . . 4.210 2.784 2.586 2.953 . 0 0 "[ . 1 . 2]" 1
137 1 32 LEU H 1 33 ASN H . . 3.770 3.045 2.963 3.144 . 0 0 "[ . 1 . 2]" 1
138 1 33 ASN H 1 34 GLN H . . 3.660 2.738 2.618 2.888 . 0 0 "[ . 1 . 2]" 1
139 1 33 ASN H 1 33 ASN QB . . 3.280 2.158 2.022 2.283 . 0 0 "[ . 1 . 2]" 1
140 1 32 LEU HB3 1 33 ASN H . . 3.960 2.392 2.293 2.528 . 0 0 "[ . 1 . 2]" 1
141 1 32 LEU HB2 1 33 ASN H . . 4.330 3.702 3.481 3.841 . 0 0 "[ . 1 . 2]" 1
142 1 88 SER HA 1 91 LEU H . . 4.290 3.836 3.637 4.100 . 0 0 "[ . 1 . 2]" 1
143 1 91 LEU H 1 91 LEU QB . . 3.800 2.166 2.013 2.186 . 0 0 "[ . 1 . 2]" 1
144 1 16 ASN H 1 16 ASN HD22 . . 4.460 3.591 2.723 4.589 0.129 3 0 "[ . 1 . 2]" 1
145 1 16 ASN H 1 17 ALA H . . 3.610 2.401 2.185 2.675 . 0 0 "[ . 1 . 2]" 1
146 1 16 ASN H 1 16 ASN HD21 . . 4.830 3.200 1.911 4.495 . 0 0 "[ . 1 . 2]" 1
147 1 16 ASN H 1 16 ASN HB2 . . 3.740 3.210 2.260 3.571 . 0 0 "[ . 1 . 2]" 1
148 1 15 LEU QD 1 16 ASN H . . 4.520 2.855 1.833 3.583 . 0 0 "[ . 1 . 2]" 1
149 1 16 ASN H 1 17 ALA HA . . 4.990 4.914 4.791 5.030 0.040 6 0 "[ . 1 . 2]" 1
150 1 31 ARG H 1 33 ASN H . . 4.710 4.565 4.301 4.685 . 0 0 "[ . 1 . 2]" 1
151 1 112 SER H 1 113 GLY H . . 4.000 2.981 1.925 3.994 . 0 0 "[ . 1 . 2]" 1
152 1 40 LYS H 1 40 LYS HD3 . . 4.670 4.359 3.338 4.907 0.237 13 0 "[ . 1 . 2]" 1
153 1 87 GLN HB2 1 88 SER H . . 4.270 2.740 2.099 3.207 . 0 0 "[ . 1 . 2]" 1
154 1 87 GLN HB3 1 88 SER H . . 4.210 2.842 2.232 3.253 . 0 0 "[ . 1 . 2]" 1
155 1 9 GLU QG 1 10 SER H . . 4.370 3.981 2.136 4.542 0.172 11 0 "[ . 1 . 2]" 1
156 1 9 GLU HA 1 10 SER H . . 3.120 2.664 2.204 3.483 0.363 18 0 "[ . 1 . 2]" 1
157 1 10 SER H 1 10 SER HB3 . . 3.510 3.213 2.276 3.916 0.406 18 0 "[ . 1 . 2]" 1
158 1 9 GLU HB2 1 10 SER H . . 4.120 4.331 1.920 4.732 0.612 1 5 "[+ . 1 * ** - 2]" 1
159 1 9 GLU HB3 1 10 SER H . . 4.810 4.440 3.323 4.723 . 0 0 "[ . 1 . 2]" 1
160 1 38 LYS HB2 1 39 GLU H . . 3.840 2.780 2.547 2.994 . 0 0 "[ . 1 . 2]" 1
161 1 39 GLU H 1 39 GLU HG2 . . 3.930 3.055 2.645 3.673 . 0 0 "[ . 1 . 2]" 1
162 1 38 LYS QG 1 39 GLU H . . 4.660 4.377 4.228 4.482 . 0 0 "[ . 1 . 2]" 1
163 1 57 SER QB 1 58 PHE H . . 3.940 3.098 1.904 3.529 . 0 0 "[ . 1 . 2]" 1
164 1 25 LEU H 1 26 GLU H . . 4.000 3.002 2.658 3.079 . 0 0 "[ . 1 . 2]" 1
165 1 26 GLU H 1 27 ASN H . . 3.560 2.893 2.750 2.985 . 0 0 "[ . 1 . 2]" 1
166 1 24 THR HB 1 26 GLU H . . 3.910 3.424 3.169 3.860 . 0 0 "[ . 1 . 2]" 1
167 1 26 GLU H 1 26 GLU HG2 . . 4.190 3.594 2.956 4.140 . 0 0 "[ . 1 . 2]" 1
168 1 25 LEU HB2 1 26 GLU H . . 3.880 2.868 2.727 3.055 . 0 0 "[ . 1 . 2]" 1
169 1 25 LEU MD1 1 26 GLU H . . 4.450 4.540 4.339 4.889 0.439 11 0 "[ . 1 . 2]" 1
170 1 24 THR H 1 27 ASN H . . 4.550 3.433 3.144 4.204 . 0 0 "[ . 1 . 2]" 1
171 1 27 ASN H 1 28 ALA MB . . 4.350 4.378 4.303 4.461 0.111 15 0 "[ . 1 . 2]" 1
172 1 71 ARG H 1 72 ARG H . . 4.630 4.359 4.338 4.448 . 0 0 "[ . 1 . 2]" 1
173 1 66 ILE H 1 71 ARG H . . 4.320 3.645 3.547 3.805 . 0 0 "[ . 1 . 2]" 1
174 1 68 GLN H 1 69 LEU H . . 4.390 2.668 2.629 2.750 . 0 0 "[ . 1 . 2]" 1
175 1 66 ILE MG 1 68 GLN HE21 . . 5.140 3.170 2.495 3.901 . 0 0 "[ . 1 . 2]" 1
176 1 103 ILE H 1 104 GLU H . . 5.100 4.434 3.690 4.554 . 0 0 "[ . 1 . 2]" 1
177 1 98 TYR HA 1 103 ILE H . . 4.100 2.531 2.196 3.468 . 0 0 "[ . 1 . 2]" 1
178 1 91 LEU QB 1 92 SER H . . 4.350 2.797 2.496 2.906 . 0 0 "[ . 1 . 2]" 1
179 1 92 SER H 1 93 LEU MD2 . . 5.130 3.525 3.407 3.784 . 0 0 "[ . 1 . 2]" 1
180 1 79 GLY HA3 1 81 ASN H . . 4.820 4.202 3.764 4.474 . 0 0 "[ . 1 . 2]" 1
181 1 81 ASN H 1 84 LEU HB2 . . 4.000 2.161 1.931 4.048 0.048 12 0 "[ . 1 . 2]" 1
182 1 7 GLY H 1 8 LEU QB . . 5.270 4.191 3.419 5.008 . 0 0 "[ . 1 . 2]" 1
183 1 108 SER HA 1 109 GLY H . . 3.570 2.995 2.217 3.648 0.078 12 0 "[ . 1 . 2]" 1
184 1 108 SER HB2 1 109 GLY H . . 4.520 3.829 2.745 4.641 0.121 1 0 "[ . 1 . 2]" 1
185 1 84 LEU QD 1 87 GLN QE . . 4.090 2.794 2.025 3.261 . 0 0 "[ . 1 . 2]" 1
186 1 69 LEU H 1 70 GLY H . . 3.100 1.997 1.877 2.157 . 0 0 "[ . 1 . 2]" 1
187 1 66 ILE HB 1 70 GLY H . . 4.770 3.798 3.704 4.019 . 0 0 "[ . 1 . 2]" 1
188 1 69 LEU HB3 1 70 GLY H . . 4.600 3.897 3.777 4.399 . 0 0 "[ . 1 . 2]" 1
189 1 69 LEU HB2 1 70 GLY H . . 4.400 2.898 2.825 3.321 . 0 0 "[ . 1 . 2]" 1
190 1 69 LEU MD2 1 70 GLY H . . 4.340 4.444 4.355 4.567 0.227 19 0 "[ . 1 . 2]" 1
191 1 101 GLY H 1 102 VAL H . . 3.600 2.098 1.936 2.305 . 0 0 "[ . 1 . 2]" 1
192 1 101 GLY H 1 103 ILE H . . 4.780 3.943 3.689 4.444 . 0 0 "[ . 1 . 2]" 1
193 1 100 LEU HB3 1 101 GLY H . . 4.910 3.413 3.250 3.663 . 0 0 "[ . 1 . 2]" 1
194 1 70 GLY H 1 71 ARG H . . 3.440 2.292 2.217 2.471 . 0 0 "[ . 1 . 2]" 1
195 1 71 ARG HB3 1 72 ARG H . . 3.820 3.581 3.439 3.740 . 0 0 "[ . 1 . 2]" 1
196 1 80 SER H 1 84 LEU HB2 . . 5.150 2.878 2.093 4.816 . 0 0 "[ . 1 . 2]" 1
197 1 82 LYS H 1 83 LYS H . . 4.150 3.023 2.882 3.149 . 0 0 "[ . 1 . 2]" 1
198 1 92 SER HA 1 95 ARG H . . 4.690 3.972 3.691 4.621 . 0 0 "[ . 1 . 2]" 1
199 1 34 GLN HA 1 36 PHE H . . 4.820 4.103 3.960 4.243 . 0 0 "[ . 1 . 2]" 1
200 1 99 HIS H 1 101 GLY H . . 5.280 4.185 3.892 4.352 . 0 0 "[ . 1 . 2]" 1
201 1 91 LEU H 1 92 SER H . . 4.200 2.927 2.856 3.124 . 0 0 "[ . 1 . 2]" 1
202 1 29 LYS HA 1 31 ARG H . . 5.220 4.972 4.019 5.206 . 0 0 "[ . 1 . 2]" 1
203 1 31 ARG H 1 31 ARG QD . . 5.160 4.090 3.780 4.533 . 0 0 "[ . 1 . 2]" 1
204 1 27 ASN H 1 28 ALA H . . 3.040 3.040 2.861 3.137 0.097 15 0 "[ . 1 . 2]" 1
205 1 24 THR HB 1 27 ASN H . . 5.050 4.100 3.848 4.238 . 0 0 "[ . 1 . 2]" 1
206 1 24 THR H 1 26 GLU H . . 5.260 4.850 4.544 5.315 0.055 20 0 "[ . 1 . 2]" 1
207 1 50 VAL H 1 58 PHE HA . . 3.500 3.557 3.512 3.594 0.094 9 0 "[ . 1 . 2]" 1
208 1 48 THR H 1 60 ALA HA . . 3.500 3.558 3.505 3.597 0.097 8 0 "[ . 1 . 2]" 1
209 1 48 THR H 1 59 ILE MG . . 5.200 3.227 3.131 3.450 . 0 0 "[ . 1 . 2]" 1
210 1 45 TYR QD 1 90 ALA H . . 5.500 4.311 4.003 4.809 . 0 0 "[ . 1 . 2]" 1
211 1 43 GLY H 1 62 MET ME . . 4.850 4.281 3.605 4.643 . 0 0 "[ . 1 . 2]" 1
212 1 41 ILE HG13 1 42 GLN H . . 4.550 4.682 4.644 4.737 0.187 18 0 "[ . 1 . 2]" 1
213 1 40 LYS H 1 41 ILE H . . 3.450 2.443 2.283 2.509 . 0 0 "[ . 1 . 2]" 1
214 1 39 GLU H 1 40 LYS H . . 3.640 2.545 2.488 2.608 . 0 0 "[ . 1 . 2]" 1
215 1 68 GLN H 1 70 GLY H . . 5.100 4.026 3.692 4.111 . 0 0 "[ . 1 . 2]" 1
216 1 69 LEU HG 1 70 GLY H . . 4.660 4.444 3.775 4.567 . 0 0 "[ . 1 . 2]" 1
217 1 77 GLU HG3 1 78 HIS H . . 5.500 4.777 4.445 5.403 . 0 0 "[ . 1 . 2]" 1
218 1 62 MET H 1 75 ALA H . . 4.510 2.896 2.684 3.020 . 0 0 "[ . 1 . 2]" 1
219 1 63 THR HA 1 75 ALA H . . 5.310 3.328 3.165 3.525 . 0 0 "[ . 1 . 2]" 1
220 1 67 LYS HB2 1 68 GLN H . . 4.070 3.835 3.777 3.931 . 0 0 "[ . 1 . 2]" 1
221 1 42 GLN H 1 42 GLN HB2 . . 3.630 3.291 2.603 3.790 0.160 12 0 "[ . 1 . 2]" 1
222 1 98 TYR H 1 103 ILE HB . . 5.210 5.103 4.897 5.431 0.221 14 0 "[ . 1 . 2]" 1
223 1 23 TRP HE1 1 98 TYR HB2 . . 4.800 3.286 2.246 3.579 . 0 0 "[ . 1 . 2]" 1
224 1 98 TYR HB2 1 103 ILE H . . 5.500 4.254 4.036 4.876 . 0 0 "[ . 1 . 2]" 1
225 1 97 LEU HB2 1 103 ILE H . . 5.300 4.042 3.595 4.356 . 0 0 "[ . 1 . 2]" 1
226 1 97 LEU MD2 1 103 ILE H . . 5.410 4.297 3.737 4.647 . 0 0 "[ . 1 . 2]" 1
227 1 101 GLY HA2 1 103 ILE H . . 5.270 4.199 3.859 4.933 . 0 0 "[ . 1 . 2]" 1
228 1 98 TYR H 1 103 ILE H . . 5.410 3.876 3.741 4.191 . 0 0 "[ . 1 . 2]" 1
229 1 96 GLN HB2 1 97 LEU H . . 4.470 2.843 2.651 3.726 . 0 0 "[ . 1 . 2]" 1
230 1 14 ASP QB 1 15 LEU H . . 5.500 2.934 2.042 3.974 . 0 0 "[ . 1 . 2]" 1
231 1 99 HIS HB3 1 101 GLY H . . 5.430 5.301 5.047 5.439 0.009 19 0 "[ . 1 . 2]" 1
232 1 98 TYR HA 1 101 GLY H . . 5.250 3.502 3.050 3.871 . 0 0 "[ . 1 . 2]" 1
233 1 90 ALA H 1 92 SER H . . 5.280 4.036 3.888 4.535 . 0 0 "[ . 1 . 2]" 1
234 1 88 SER H 1 90 ALA H . . 5.070 4.538 4.196 4.751 . 0 0 "[ . 1 . 2]" 1
235 1 81 ASN H 1 85 ALA H . . 4.440 3.322 2.766 3.567 . 0 0 "[ . 1 . 2]" 1
236 1 26 GLU QB 1 28 ALA H . . 5.090 4.785 4.441 5.077 . 0 0 "[ . 1 . 2]" 1
237 1 75 ALA MB 1 96 GLN HE22 . . 5.500 3.360 2.815 4.254 . 0 0 "[ . 1 . 2]" 1
238 1 93 LEU HA 1 96 GLN HE22 . . 5.500 3.483 2.857 3.931 . 0 0 "[ . 1 . 2]" 1
239 1 96 GLN HA 1 96 GLN HE22 . . 5.500 5.482 5.146 5.670 0.170 13 0 "[ . 1 . 2]" 1
240 1 81 ASN HD22 1 84 LEU QD . . 5.380 2.902 1.863 3.940 . 0 0 "[ . 1 . 2]" 1
241 1 95 ARG HB2 1 96 GLN H . . 4.620 2.588 1.997 2.905 . 0 0 "[ . 1 . 2]" 1
242 1 45 TYR HA 1 61 GLU H . . 5.340 4.596 4.291 4.846 . 0 0 "[ . 1 . 2]" 1
243 1 31 ARG H 1 94 VAL QG . . 4.970 4.461 3.904 4.683 . 0 0 "[ . 1 . 2]" 1
244 1 76 ARG QB 1 77 GLU H . . 5.260 4.064 4.010 4.110 . 0 0 "[ . 1 . 2]" 1
245 1 60 ALA MB 1 77 GLU H . . 5.500 3.950 3.798 4.028 . 0 0 "[ . 1 . 2]" 1
246 1 36 PHE HA 1 39 GLU H . . 5.020 3.877 3.604 4.057 . 0 0 "[ . 1 . 2]" 1
247 1 46 LYS HG2 1 47 TYR H . . 5.120 4.376 3.208 5.112 . 0 0 "[ . 1 . 2]" 1
248 1 44 GLU H 1 62 MET HG3 . . 4.410 4.329 4.138 4.553 0.143 16 0 "[ . 1 . 2]" 1
249 1 42 GLN HB3 1 43 GLY H . . 4.850 3.799 3.253 4.224 . 0 0 "[ . 1 . 2]" 1
250 1 82 LYS HA 1 85 ALA H . . 4.630 4.080 3.497 4.320 . 0 0 "[ . 1 . 2]" 1
251 1 83 LYS HG3 1 84 LEU H . . 4.750 4.652 4.490 4.785 0.035 1 0 "[ . 1 . 2]" 1
252 1 84 LEU H 1 84 LEU HG . . 3.730 2.835 2.405 3.757 0.027 1 0 "[ . 1 . 2]" 1
253 1 80 SER H 1 81 ASN H . . 4.270 2.672 2.362 2.904 . 0 0 "[ . 1 . 2]" 1
254 1 46 LYS QB 1 61 GLU H . . 4.890 3.138 2.840 3.325 . 0 0 "[ . 1 . 2]" 1
255 1 60 ALA H 1 78 HIS HA . . 4.940 3.408 3.127 3.790 . 0 0 "[ . 1 . 2]" 1
256 1 55 ASN QB 1 56 ARG H . . 5.340 4.049 3.890 4.073 . 0 0 "[ . 1 . 2]" 1
257 1 23 TRP HD1 1 106 TYR H . . 5.050 4.062 3.669 4.484 . 0 0 "[ . 1 . 2]" 1
258 1 23 TRP HE1 1 106 TYR H . . 4.500 3.463 2.814 3.955 . 0 0 "[ . 1 . 2]" 1
259 1 23 TRP H 1 23 TRP HB2 . . 3.660 2.381 2.214 2.580 . 0 0 "[ . 1 . 2]" 1
260 1 23 TRP H 1 23 TRP HE3 . . 5.190 4.862 4.720 5.065 . 0 0 "[ . 1 . 2]" 1
261 1 21 GLY H 1 105 ALA MB . . 5.240 3.802 3.377 4.247 . 0 0 "[ . 1 . 2]" 1
262 1 24 THR H 1 27 ASN HD22 . . 5.500 4.673 3.559 4.932 . 0 0 "[ . 1 . 2]" 1
263 1 24 THR H 1 27 ASN HD21 . . 5.050 4.863 4.559 5.210 0.160 20 0 "[ . 1 . 2]" 1
264 1 25 LEU HB2 1 87 GLN QE . . 5.260 3.791 2.633 4.897 . 0 0 "[ . 1 . 2]" 1
265 1 26 GLU HA 1 87 GLN QE . . 4.930 4.007 3.422 4.411 . 0 0 "[ . 1 . 2]" 1
266 1 84 LEU HG 1 87 GLN QE . . 5.500 4.622 3.838 5.335 . 0 0 "[ . 1 . 2]" 1
267 1 84 LEU H 1 87 GLN QE . . 5.500 4.567 3.842 5.372 . 0 0 "[ . 1 . 2]" 1
268 1 25 LEU H 1 27 ASN H . . 5.500 4.804 4.494 4.996 . 0 0 "[ . 1 . 2]" 1
269 1 97 LEU MD1 1 98 TYR H . . 5.470 4.281 4.046 4.425 . 0 0 "[ . 1 . 2]" 1
270 1 98 TYR H 1 102 VAL H . . 5.310 4.407 4.267 4.608 . 0 0 "[ . 1 . 2]" 1
271 1 100 LEU HB2 1 102 VAL H . . 5.050 3.966 3.582 4.406 . 0 0 "[ . 1 . 2]" 1
272 1 22 ASN HB3 1 107 SER H . . 5.180 4.569 3.075 5.200 0.020 4 0 "[ . 1 . 2]" 1
273 1 22 ASN HB2 1 107 SER H . . 4.740 4.405 2.852 4.797 0.057 17 0 "[ . 1 . 2]" 1
274 1 62 MET ME 1 63 THR H . . 5.100 4.278 3.953 4.939 . 0 0 "[ . 1 . 2]" 1
275 1 9 GLU H 1 10 SER H . . 4.010 3.168 1.890 3.926 . 0 0 "[ . 1 . 2]" 1
276 1 46 LYS H 1 61 GLU H . . 3.220 2.871 2.649 3.058 . 0 0 "[ . 1 . 2]" 1
277 1 63 THR H 1 63 THR MG . . 4.220 3.908 3.863 3.955 . 0 0 "[ . 1 . 2]" 1
278 1 62 MET H 1 74 PHE QD . . 5.410 4.948 4.398 5.128 . 0 0 "[ . 1 . 2]" 1
279 1 38 LYS HB2 1 40 LYS H . . 5.420 4.664 4.520 4.793 . 0 0 "[ . 1 . 2]" 1
280 1 46 LYS H 1 46 LYS HG2 . . 4.820 4.573 4.247 4.784 . 0 0 "[ . 1 . 2]" 1
281 1 46 LYS H 1 61 GLU HG3 . . 5.150 3.678 3.019 4.082 . 0 0 "[ . 1 . 2]" 1
282 1 46 LYS H 1 60 ALA HA . . 5.240 4.112 3.674 4.325 . 0 0 "[ . 1 . 2]" 1
283 1 36 PHE QD 1 41 ILE H . . 4.880 3.944 3.793 4.153 . 0 0 "[ . 1 . 2]" 1
284 1 36 PHE HA 1 41 ILE H . . 3.720 2.566 2.410 2.822 . 0 0 "[ . 1 . 2]" 1
285 1 41 ILE HG12 1 42 GLN H . . 4.600 4.080 3.992 4.196 . 0 0 "[ . 1 . 2]" 1
286 1 36 PHE HB3 1 41 ILE H . . 4.820 3.996 3.704 4.241 . 0 0 "[ . 1 . 2]" 1
287 1 36 PHE HB2 1 41 ILE H . . 5.320 5.052 4.855 5.313 . 0 0 "[ . 1 . 2]" 1
288 1 37 GLN HA 1 41 ILE H . . 4.680 4.515 4.297 4.687 0.007 16 0 "[ . 1 . 2]" 1
289 1 37 GLN H 1 38 LYS HB2 . . 4.940 4.189 4.054 4.378 . 0 0 "[ . 1 . 2]" 1
290 1 36 PHE HB3 1 43 GLY H . . 5.120 3.915 3.682 4.132 . 0 0 "[ . 1 . 2]" 1
291 1 45 TYR H 1 45 TYR QE . . 4.670 4.698 4.645 4.746 0.076 6 0 "[ . 1 . 2]" 1
292 1 45 TYR H 1 47 TYR QE . . 5.020 4.194 3.780 5.029 0.009 13 0 "[ . 1 . 2]" 1
293 1 77 GLU HG2 1 89 CYS H . . 5.150 4.807 4.224 5.048 . 0 0 "[ . 1 . 2]" 1
294 1 77 GLU HG3 1 89 CYS H . . 5.500 3.722 3.046 4.359 . 0 0 "[ . 1 . 2]" 1
295 1 89 CYS H 1 89 CYS HG . . 5.400 4.741 4.607 4.870 . 0 0 "[ . 1 . 2]" 1
296 1 89 CYS H 1 91 LEU H . . 5.360 4.721 4.496 4.855 . 0 0 "[ . 1 . 2]" 1
297 1 60 ALA H 1 76 ARG HA . . 5.500 5.124 4.810 5.263 . 0 0 "[ . 1 . 2]" 1
298 1 59 ILE HB 1 60 ALA H . . 5.500 4.620 4.567 4.651 . 0 0 "[ . 1 . 2]" 1
299 1 52 PRO HD2 1 55 ASN H . . 5.500 3.730 3.621 3.808 . 0 0 "[ . 1 . 2]" 1
300 1 52 PRO HG3 1 53 ASP H . . 5.500 5.367 5.288 5.547 0.047 15 0 "[ . 1 . 2]" 1
301 1 53 ASP H 1 55 ASN H . . 5.230 4.102 3.970 4.273 . 0 0 "[ . 1 . 2]" 1
302 1 27 ASN H 1 27 ASN HD21 . . 5.450 3.656 3.059 4.886 . 0 0 "[ . 1 . 2]" 1
303 1 82 LYS H 1 85 ALA MB . . 5.500 4.436 4.019 4.583 . 0 0 "[ . 1 . 2]" 1
304 1 58 PHE QE 1 82 LYS H . . 5.500 5.250 4.058 5.509 0.009 15 0 "[ . 1 . 2]" 1
305 1 81 ASN H 1 82 LYS H . . 5.500 4.513 4.437 4.570 . 0 0 "[ . 1 . 2]" 1
306 1 49 GLN HA 1 59 ILE H . . 3.500 3.412 3.176 3.544 0.044 15 0 "[ . 1 . 2]" 1
307 1 41 ILE MG 1 65 TYR H . . 5.500 4.463 4.010 4.821 . 0 0 "[ . 1 . 2]" 1
308 1 66 ILE H 1 72 ARG HB2 . . 4.860 4.441 4.325 4.674 . 0 0 "[ . 1 . 2]" 1
309 1 67 LYS H 1 69 LEU H . . 5.360 3.829 3.767 4.232 . 0 0 "[ . 1 . 2]" 1
310 1 66 ILE HA 1 68 GLN H . . 5.230 3.720 3.560 3.763 . 0 0 "[ . 1 . 2]" 1
311 1 66 ILE MG 1 68 GLN HE22 . . 5.460 3.986 3.032 5.081 . 0 0 "[ . 1 . 2]" 1
312 1 67 LYS HA 1 69 LEU H . . 4.960 3.598 3.382 4.071 . 0 0 "[ . 1 . 2]" 1
313 1 65 TYR QE 1 72 ARG H . . 5.250 5.157 5.083 5.235 . 0 0 "[ . 1 . 2]" 1
314 1 74 PHE H 1 96 GLN HE21 . . 4.950 4.628 3.895 5.012 0.062 12 0 "[ . 1 . 2]" 1
315 1 74 PHE H 1 75 ALA H . . 5.230 4.475 4.403 4.548 . 0 0 "[ . 1 . 2]" 1
316 1 74 PHE H 1 96 GLN HE22 . . 5.500 4.154 2.834 5.513 0.013 19 0 "[ . 1 . 2]" 1
317 1 73 ILE HG12 1 74 PHE H . . 5.450 5.070 4.757 5.329 . 0 0 "[ . 1 . 2]" 1
318 1 63 THR MG 1 74 PHE H . . 5.350 3.817 3.569 4.410 . 0 0 "[ . 1 . 2]" 1
319 1 81 ASN HD21 1 84 LEU H . . 5.320 4.244 3.785 4.663 . 0 0 "[ . 1 . 2]" 1
320 1 84 LEU QD 1 85 ALA H . . 4.230 3.761 3.117 3.910 . 0 0 "[ . 1 . 2]" 1
321 1 21 GLY HA2 1 23 TRP H . . 5.260 4.380 3.844 4.688 . 0 0 "[ . 1 . 2]" 1
322 1 27 ASN H 1 29 LYS H . . 5.320 4.583 3.974 4.949 . 0 0 "[ . 1 . 2]" 1
323 1 25 LEU HA 1 27 ASN H . . 5.220 5.107 4.733 5.278 0.058 18 0 "[ . 1 . 2]" 1
324 1 13 VAL HB 1 14 ASP H . . 4.550 3.740 1.937 4.204 . 0 0 "[ . 1 . 2]" 1
325 1 13 VAL H 1 14 ASP H . . 4.390 4.412 4.341 4.499 0.109 15 0 "[ . 1 . 2]" 1
326 1 109 GLY H 1 110 PRO QD . . 4.650 4.091 3.287 4.322 . 0 0 "[ . 1 . 2]" 1
327 1 15 LEU H 1 15 LEU HB3 . . 4.170 3.307 2.564 4.061 . 0 0 "[ . 1 . 2]" 1
328 1 19 LEU H 1 20 HIS QB . . 5.030 4.621 4.096 4.867 . 0 0 "[ . 1 . 2]" 1
329 1 107 SER H 1 108 SER H . . 4.510 2.552 1.832 4.171 . 0 0 "[ . 1 . 2]" 1
330 1 24 THR MG 1 27 ASN HD21 . . 5.500 4.874 4.479 5.436 . 0 0 "[ . 1 . 2]" 1
331 1 47 TYR QE 1 85 ALA H . . 5.140 5.091 4.628 6.237 1.097 9 2 "[ . +1 - . 2]" 1
332 1 52 PRO HG2 1 54 HIS HE1 . . 4.240 2.323 2.225 2.517 . 0 0 "[ . 1 . 2]" 1
333 1 52 PRO HB2 1 54 HIS HE1 . . 4.090 3.379 2.502 3.747 . 0 0 "[ . 1 . 2]" 1
334 1 47 TYR QD 1 60 ALA HA . . 4.250 3.014 1.981 3.323 . 0 0 "[ . 1 . 2]" 1
335 1 47 TYR H 1 47 TYR QD . . 3.610 2.518 2.312 3.139 . 0 0 "[ . 1 . 2]" 1
336 1 47 TYR QD 1 60 ALA MB . . 3.720 2.068 1.940 2.392 . 0 0 "[ . 1 . 2]" 1
337 1 45 TYR H 1 45 TYR QD . . 3.340 2.435 2.313 2.824 . 0 0 "[ . 1 . 2]" 1
338 1 44 GLU HA 1 45 TYR QD . . 4.240 3.058 2.585 3.899 . 0 0 "[ . 1 . 2]" 1
339 1 45 TYR HA 1 45 TYR QD . . 3.750 3.062 1.946 3.225 . 0 0 "[ . 1 . 2]" 1
340 1 65 TYR HA 1 65 TYR QD . . 3.510 3.252 3.217 3.299 . 0 0 "[ . 1 . 2]" 1
341 1 65 TYR QD 1 67 LYS HA . . 4.080 3.925 3.816 3.990 . 0 0 "[ . 1 . 2]" 1
342 1 65 TYR QD 1 72 ARG HG2 . . 3.890 2.503 2.401 2.562 . 0 0 "[ . 1 . 2]" 1
343 1 65 TYR QD 1 67 LYS H . . 3.970 3.323 3.198 3.434 . 0 0 "[ . 1 . 2]" 1
344 1 65 TYR QD 1 66 ILE H . . 4.050 3.504 3.382 3.619 . 0 0 "[ . 1 . 2]" 1
345 1 65 TYR QD 1 72 ARG HA . . 4.020 4.043 4.020 4.060 0.040 9 0 "[ . 1 . 2]" 1
346 1 35 TYR QD 1 36 PHE H . . 4.190 3.588 3.319 3.777 . 0 0 "[ . 1 . 2]" 1
347 1 35 TYR H 1 35 TYR QD . . 4.230 4.046 3.995 4.076 . 0 0 "[ . 1 . 2]" 1
348 1 35 TYR QD 1 36 PHE QD . . 3.940 2.501 1.995 2.848 . 0 0 "[ . 1 . 2]" 1
349 1 35 TYR HA 1 35 TYR QD . . 3.630 2.749 2.595 2.973 . 0 0 "[ . 1 . 2]" 1
350 1 74 PHE HA 1 74 PHE QD . . 3.940 3.303 3.073 3.358 . 0 0 "[ . 1 . 2]" 1
351 1 74 PHE H 1 74 PHE QD . . 4.010 3.698 3.502 3.864 . 0 0 "[ . 1 . 2]" 1
352 1 58 PHE QD 1 81 ASN HA . . 3.920 3.553 2.569 3.911 . 0 0 "[ . 1 . 2]" 1
353 1 47 TYR QB 1 58 PHE QD . . 4.100 2.436 1.961 3.788 . 0 0 "[ . 1 . 2]" 1
354 1 32 LEU MD2 1 36 PHE QE . . 4.210 2.599 2.224 3.169 . 0 0 "[ . 1 . 2]" 1
355 1 36 PHE H 1 36 PHE QD . . 4.190 3.169 2.874 3.292 . 0 0 "[ . 1 . 2]" 1
356 1 23 TRP HB2 1 23 TRP HD1 . . 3.810 2.605 2.602 2.611 . 0 0 "[ . 1 . 2]" 1
357 1 21 GLY HA2 1 23 TRP HD1 . . 3.920 4.111 3.840 4.283 0.363 15 0 "[ . 1 . 2]" 1
358 1 59 ILE MD 1 78 HIS HD2 . . 3.880 3.436 1.863 3.834 . 0 0 "[ . 1 . 2]" 1
359 1 17 ALA HA 1 20 HIS HD2 . . 3.990 3.669 2.795 3.987 . 0 0 "[ . 1 . 2]" 1
360 1 23 TRP HE3 1 24 THR H . . 4.160 3.186 2.491 3.694 . 0 0 "[ . 1 . 2]" 1
361 1 20 HIS QB 1 20 HIS HD2 . . 3.700 2.945 2.765 3.117 . 0 0 "[ . 1 . 2]" 1
362 1 54 HIS HD2 1 55 ASN QB . . 3.880 2.282 1.954 2.903 . 0 0 "[ . 1 . 2]" 1
363 1 45 TYR QE 1 90 ALA H . . 3.950 2.379 2.039 2.912 . 0 0 "[ . 1 . 2]" 1
364 1 45 TYR QE 1 86 ALA HA . . 4.050 3.300 2.369 3.610 . 0 0 "[ . 1 . 2]" 1
365 1 45 TYR QE 1 90 ALA MB . . 3.730 2.737 2.502 3.120 . 0 0 "[ . 1 . 2]" 1
366 1 47 TYR QE 1 86 ALA H . . 4.010 2.701 2.084 3.823 . 0 0 "[ . 1 . 2]" 1
367 1 45 TYR HB2 1 47 TYR QE . . 4.110 2.823 2.374 3.547 . 0 0 "[ . 1 . 2]" 1
368 1 45 TYR HB3 1 47 TYR QE . . 4.000 3.287 1.966 3.656 . 0 0 "[ . 1 . 2]" 1
369 1 47 TYR QE 1 85 ALA MB . . 3.880 2.799 2.223 3.846 . 0 0 "[ . 1 . 2]" 1
370 1 47 TYR QE 1 86 ALA MB . . 3.250 2.328 1.978 2.735 . 0 0 "[ . 1 . 2]" 1
371 1 35 TYR QE 1 39 GLU HG3 . . 4.140 3.212 2.863 4.736 0.596 14 1 "[ . 1 +. 2]" 1
372 1 65 TYR QE 1 70 GLY HA2 . . 4.220 3.993 3.586 4.113 . 0 0 "[ . 1 . 2]" 1
373 1 65 TYR QE 1 67 LYS HA . . 3.180 2.099 2.021 2.138 . 0 0 "[ . 1 . 2]" 1
374 1 65 TYR QE 1 67 LYS HB2 . . 4.000 3.239 3.127 3.350 . 0 0 "[ . 1 . 2]" 1
375 1 58 PHE HA 1 59 ILE H . . 3.310 2.215 2.194 2.244 . 0 0 "[ . 1 . 2]" 1
376 1 58 PHE HA 1 58 PHE QD . . 4.130 2.890 2.356 3.178 . 0 0 "[ . 1 . 2]" 1
377 1 49 GLN HA 1 58 PHE HA . . 3.000 2.140 1.984 2.334 . 0 0 "[ . 1 . 2]" 1
378 1 47 TYR HA 1 48 THR H . . 3.150 2.189 2.187 2.195 . 0 0 "[ . 1 . 2]" 1
379 1 47 TYR HA 1 47 TYR QD . . 3.680 2.725 1.969 2.937 . 0 0 "[ . 1 . 2]" 1
380 1 47 TYR HA 1 60 ALA HA . . 3.000 2.167 2.082 2.340 . 0 0 "[ . 1 . 2]" 1
381 1 74 PHE HA 1 75 ALA H . . 3.170 2.365 2.334 2.447 . 0 0 "[ . 1 . 2]" 1
382 1 63 THR HA 1 74 PHE HA . . 3.520 2.121 2.090 2.160 . 0 0 "[ . 1 . 2]" 1
383 1 78 HIS HA 1 79 GLY H . . 3.570 2.526 2.191 2.784 . 0 0 "[ . 1 . 2]" 1
384 1 59 ILE HG13 1 78 HIS HA . . 4.230 2.789 2.445 3.244 . 0 0 "[ . 1 . 2]" 1
385 1 72 ARG HA 1 73 ILE H . . 3.290 2.388 2.332 2.459 . 0 0 "[ . 1 . 2]" 1
386 1 66 ILE H 1 72 ARG HA . . 3.960 2.377 2.194 2.569 . 0 0 "[ . 1 . 2]" 1
387 1 65 TYR HA 1 72 ARG HA . . 3.470 1.945 1.925 1.966 . 0 0 "[ . 1 . 2]" 1
388 1 61 GLU HA 1 62 MET H . . 3.070 2.295 2.244 2.404 . 0 0 "[ . 1 . 2]" 1
389 1 21 GLY HA3 1 22 ASN H . . 3.630 3.426 3.201 3.541 . 0 0 "[ . 1 . 2]" 1
390 1 21 GLY HA3 1 23 TRP HD1 . . 4.260 3.327 2.831 3.614 . 0 0 "[ . 1 . 2]" 1
391 1 43 GLY HA2 1 44 GLU H . . 3.020 2.214 2.199 2.235 . 0 0 "[ . 1 . 2]" 1
392 1 43 GLY HA3 1 44 GLU H . . 3.260 3.218 3.147 3.291 0.031 13 0 "[ . 1 . 2]" 1
393 1 36 PHE HZ 1 43 GLY HA3 . . 4.020 3.808 3.427 4.031 0.011 20 0 "[ . 1 . 2]" 1
394 1 109 GLY HA3 1 110 PRO QD . . 3.080 2.496 1.957 3.058 . 0 0 "[ . 1 . 2]" 1
395 1 58 PHE HB3 1 59 ILE H . . 4.210 3.850 3.502 3.995 . 0 0 "[ . 1 . 2]" 1
396 1 69 LEU H 1 69 LEU HB3 . . 3.820 3.654 3.608 3.723 . 0 0 "[ . 1 . 2]" 1
397 1 69 LEU H 1 69 LEU HB2 . . 3.770 2.505 2.434 2.881 . 0 0 "[ . 1 . 2]" 1
398 1 69 LEU HB2 1 69 LEU MD2 . . 3.320 3.183 3.165 3.217 . 0 0 "[ . 1 . 2]" 1
399 1 76 ARG QB 1 76 ARG HD2 . . 3.290 2.268 1.957 3.339 0.049 9 0 "[ . 1 . 2]" 1
400 1 59 ILE MG 1 76 ARG HD3 . . 3.610 2.733 1.944 3.927 0.317 7 0 "[ . 1 . 2]" 1
401 1 74 PHE H 1 74 PHE HB3 . . 3.640 2.361 2.161 2.623 . 0 0 "[ . 1 . 2]" 1
402 1 74 PHE HB3 1 75 ALA H . . 4.110 4.125 3.976 4.171 0.061 19 0 "[ . 1 . 2]" 1
403 1 74 PHE H 1 74 PHE HB2 . . 3.730 3.280 3.101 3.479 . 0 0 "[ . 1 . 2]" 1
404 1 71 ARG QD 1 72 ARG H . . 4.120 3.187 1.945 4.307 0.187 5 0 "[ . 1 . 2]" 1
405 1 72 ARG HB2 1 72 ARG QD . . 2.920 1.978 1.952 2.028 . 0 0 "[ . 1 . 2]" 1
406 1 71 ARG H 1 71 ARG QD . . 4.190 3.991 3.590 4.220 0.030 20 0 "[ . 1 . 2]" 1
407 1 71 ARG HB3 1 71 ARG QD . . 3.300 2.826 2.208 3.548 0.248 10 0 "[ . 1 . 2]" 1
408 1 71 ARG QD 1 100 LEU QD . . 3.380 2.457 1.858 3.036 . 0 0 "[ . 1 . 2]" 1
409 1 56 ARG HD3 1 57 SER H . . 4.230 4.269 3.325 4.830 0.600 8 4 "[ * . + 1* . - 2]" 1
410 1 56 ARG QB 1 56 ARG HD2 . . 3.260 2.813 2.143 3.178 . 0 0 "[ . 1 . 2]" 1
411 1 56 ARG QB 1 56 ARG HD3 . . 3.350 2.262 2.042 2.670 . 0 0 "[ . 1 . 2]" 1
412 1 100 LEU H 1 100 LEU HB2 . . 4.070 2.274 2.174 2.375 . 0 0 "[ . 1 . 2]" 1
413 1 64 ILE HB 1 65 TYR H . . 3.770 2.795 2.628 3.091 . 0 0 "[ . 1 . 2]" 1
414 1 41 ILE MG 1 64 ILE HB . . 3.750 4.397 4.068 4.827 1.077 4 15 "[***+* ** **** ***-]" 1
415 1 40 LYS QE 1 40 LYS QG . . 3.250 2.084 1.943 2.492 . 0 0 "[ . 1 . 2]" 1
416 1 25 LEU H 1 25 LEU HB2 . . 3.410 2.266 2.063 2.349 . 0 0 "[ . 1 . 2]" 1
417 1 25 LEU HB2 1 25 LEU MD2 . . 3.120 3.158 3.069 3.207 0.087 8 0 "[ . 1 . 2]" 1
418 1 25 LEU H 1 25 LEU HB3 . . 3.630 3.506 3.381 3.541 . 0 0 "[ . 1 . 2]" 1
419 1 25 LEU HB3 1 25 LEU MD2 . . 3.100 2.236 2.041 2.464 . 0 0 "[ . 1 . 2]" 1
420 1 46 LYS QE 1 46 LYS HG3 . . 3.670 2.514 1.952 3.255 . 0 0 "[ . 1 . 2]" 1
421 1 93 LEU HB2 1 94 VAL H . . 4.100 2.653 2.346 2.800 . 0 0 "[ . 1 . 2]" 1
422 1 93 LEU H 1 93 LEU HB2 . . 3.850 2.437 2.385 2.464 . 0 0 "[ . 1 . 2]" 1
423 1 81 ASN H 1 84 LEU HB3 . . 4.020 3.462 2.445 3.646 . 0 0 "[ . 1 . 2]" 1
424 1 93 LEU H 1 93 LEU HB3 . . 4.050 3.543 3.536 3.556 . 0 0 "[ . 1 . 2]" 1
425 1 83 LYS QE 1 83 LYS HG3 . . 3.310 2.582 2.079 3.205 . 0 0 "[ . 1 . 2]" 1
426 1 83 LYS QE 1 83 LYS HG2 . . 3.650 2.480 1.991 3.122 . 0 0 "[ . 1 . 2]" 1
427 1 15 LEU HB3 1 16 ASN H . . 3.460 2.076 1.914 2.900 . 0 0 "[ . 1 . 2]" 1
428 1 84 LEU HB3 1 85 ALA H . . 4.210 2.869 2.751 3.095 . 0 0 "[ . 1 . 2]" 1
429 1 15 LEU HB2 1 16 ASN H . . 3.880 3.287 2.137 3.728 . 0 0 "[ . 1 . 2]" 1
430 1 19 LEU H 1 19 LEU HB3 . . 3.660 3.252 2.094 3.645 . 0 0 "[ . 1 . 2]" 1
431 1 19 LEU H 1 19 LEU HB2 . . 3.940 2.600 2.207 3.419 . 0 0 "[ . 1 . 2]" 1
432 1 47 TYR H 1 47 TYR QB . . 3.720 2.271 2.131 2.348 . 0 0 "[ . 1 . 2]" 1
433 1 41 ILE H 1 41 ILE HB . . 3.450 2.324 2.295 2.377 . 0 0 "[ . 1 . 2]" 1
434 1 36 PHE QD 1 41 ILE HB . . 4.010 2.180 1.995 2.658 . 0 0 "[ . 1 . 2]" 1
435 1 103 ILE HB 1 104 GLU H . . 3.770 2.161 1.925 2.525 . 0 0 "[ . 1 . 2]" 1
436 1 82 LYS HB3 1 82 LYS HE2 . . 4.270 4.411 3.854 4.729 0.459 12 0 "[ . 1 . 2]" 1
437 1 82 LYS HE3 1 82 LYS HG3 . . 3.810 2.518 2.003 3.006 . 0 0 "[ . 1 . 2]" 1
438 1 82 LYS HE2 1 82 LYS HG2 . . 3.820 3.178 2.268 3.820 . 0 0 "[ . 1 . 2]" 1
439 1 14 ASP H 1 14 ASP QB . . 3.530 2.614 2.023 3.129 . 0 0 "[ . 1 . 2]" 1
440 1 73 ILE HB 1 74 PHE H . . 3.350 2.820 2.247 3.263 . 0 0 "[ . 1 . 2]" 1
441 1 32 LEU H 1 32 LEU HB3 . . 3.790 2.695 2.576 2.918 . 0 0 "[ . 1 . 2]" 1
442 1 59 ILE H 1 59 ILE HB . . 3.910 2.156 2.121 2.230 . 0 0 "[ . 1 . 2]" 1
443 1 32 LEU H 1 32 LEU HB2 . . 3.790 2.225 2.084 2.302 . 0 0 "[ . 1 . 2]" 1
444 1 81 ASN HB2 1 81 ASN HD22 . . 3.930 3.739 3.445 4.151 0.221 12 0 "[ . 1 . 2]" 1
445 1 45 TYR HB3 1 46 LYS H . . 4.210 3.297 2.751 3.605 . 0 0 "[ . 1 . 2]" 1
446 1 45 TYR H 1 45 TYR HB3 . . 3.930 3.525 3.400 3.585 . 0 0 "[ . 1 . 2]" 1
447 1 65 TYR H 1 65 TYR HB3 . . 3.630 2.287 2.200 2.327 . 0 0 "[ . 1 . 2]" 1
448 1 65 TYR H 1 65 TYR HB2 . . 3.730 2.986 2.863 3.040 . 0 0 "[ . 1 . 2]" 1
449 1 27 ASN H 1 27 ASN HB3 . . 4.180 3.339 2.092 3.573 . 0 0 "[ . 1 . 2]" 1
450 1 16 ASN H 1 16 ASN HB3 . . 3.890 3.052 2.551 3.602 . 0 0 "[ . 1 . 2]" 1
451 1 27 ASN H 1 27 ASN HB2 . . 4.130 2.694 2.468 3.410 . 0 0 "[ . 1 . 2]" 1
452 1 16 ASN HB3 1 16 ASN HD22 . . 3.890 3.712 3.450 4.137 0.247 10 0 "[ . 1 . 2]" 1
453 1 35 TYR H 1 35 TYR HB3 . . 3.850 2.195 2.092 2.296 . 0 0 "[ . 1 . 2]" 1
454 1 35 TYR H 1 35 TYR HB2 . . 3.730 2.467 2.347 2.604 . 0 0 "[ . 1 . 2]" 1
455 1 62 MET H 1 62 MET HB2 . . 4.090 3.410 3.303 3.508 . 0 0 "[ . 1 . 2]" 1
456 1 62 MET H 1 62 MET HB3 . . 3.880 2.697 2.639 2.828 . 0 0 "[ . 1 . 2]" 1
457 1 98 TYR H 1 98 TYR HB2 . . 3.890 2.541 2.357 2.745 . 0 0 "[ . 1 . 2]" 1
458 1 61 GLU H 1 61 GLU HG3 . . 4.240 3.259 2.082 3.403 . 0 0 "[ . 1 . 2]" 1
459 1 22 ASN HB2 1 22 ASN HD22 . . 3.820 3.717 3.446 4.154 0.334 14 0 "[ . 1 . 2]" 1
460 1 22 ASN HB3 1 22 ASN HD22 . . 4.050 3.799 3.446 4.154 0.104 2 0 "[ . 1 . 2]" 1
461 1 36 PHE H 1 36 PHE HB3 . . 3.890 3.467 3.444 3.481 . 0 0 "[ . 1 . 2]" 1
462 1 36 PHE HB2 1 37 GLN H . . 3.880 2.966 2.745 3.078 . 0 0 "[ . 1 . 2]" 1
463 1 26 GLU HA 1 26 GLU HG3 . . 3.670 3.132 2.579 3.572 . 0 0 "[ . 1 . 2]" 1
464 1 26 GLU H 1 26 GLU HG3 . . 4.090 3.332 2.634 3.999 . 0 0 "[ . 1 . 2]" 1
465 1 9 GLU QG 1 11 GLU H . . 3.700 3.667 3.471 3.803 0.103 11 0 "[ . 1 . 2]" 1
466 1 9 GLU HA 1 9 GLU QG . . 3.250 3.006 2.168 3.334 0.084 5 0 "[ . 1 . 2]" 1
467 1 12 GLU H 1 12 GLU QG . . 4.820 3.958 2.352 4.395 . 0 0 "[ . 1 . 2]" 1
468 1 66 ILE H 1 66 ILE HB . . 3.750 2.635 2.582 2.723 . 0 0 "[ . 1 . 2]" 1
469 1 66 ILE HB 1 69 LEU H . . 3.960 3.192 2.920 3.326 . 0 0 "[ . 1 . 2]" 1
470 1 44 GLU HA 1 44 GLU HG3 . . 3.980 3.576 3.171 3.877 . 0 0 "[ . 1 . 2]" 1
471 1 44 GLU HA 1 44 GLU HG2 . . 4.010 3.039 2.014 3.848 . 0 0 "[ . 1 . 2]" 1
472 1 106 TYR H 1 106 TYR HB3 . . 3.870 2.617 2.403 2.836 . 0 0 "[ . 1 . 2]" 1
473 1 106 TYR H 1 106 TYR HB2 . . 3.860 2.099 1.912 2.433 . 0 0 "[ . 1 . 2]" 1
474 1 104 GLU H 1 104 GLU QG . . 4.170 2.265 1.925 4.141 . 0 0 "[ . 1 . 2]" 1
475 1 44 GLU H 1 44 GLU HG2 . . 4.110 2.743 1.937 4.062 . 0 0 "[ . 1 . 2]" 1
476 1 39 GLU H 1 39 GLU HG3 . . 3.970 3.614 3.011 3.979 0.009 7 0 "[ . 1 . 2]" 1
477 1 87 GLN HA 1 87 GLN QG . . 3.660 2.117 1.979 2.350 . 0 0 "[ . 1 . 2]" 1
478 1 87 GLN H 1 87 GLN QG . . 3.710 2.868 2.154 3.217 . 0 0 "[ . 1 . 2]" 1
479 1 50 VAL H 1 50 VAL HB . . 3.860 3.762 3.672 3.885 0.025 15 0 "[ . 1 . 2]" 1
480 1 50 VAL HB 1 51 GLY H . . 3.490 2.195 1.963 2.313 . 0 0 "[ . 1 . 2]" 1
481 1 37 GLN H 1 37 GLN HG3 . . 3.520 3.413 2.876 3.757 0.237 11 0 "[ . 1 . 2]" 1
482 1 37 GLN HA 1 37 GLN HG3 . . 3.540 3.382 2.999 3.592 0.052 7 0 "[ . 1 . 2]" 1
483 1 68 GLN H 1 68 GLN QG . . 3.990 2.201 1.909 3.835 . 0 0 "[ . 1 . 2]" 1
484 1 68 GLN HE22 1 68 GLN QG . . 3.270 3.298 3.249 3.375 0.105 20 0 "[ . 1 . 2]" 1
485 1 68 GLN QG 1 69 LEU H . . 4.220 2.690 2.546 3.330 . 0 0 "[ . 1 . 2]" 1
486 1 68 GLN QG 1 69 LEU HG . . 3.840 2.231 1.943 3.390 . 0 0 "[ . 1 . 2]" 1
487 1 66 ILE MG 1 68 GLN QG . . 3.270 1.779 1.613 3.162 . 0 0 "[ . 1 . 2]" 1
488 1 37 GLN H 1 37 GLN HG2 . . 3.680 3.279 2.519 3.691 0.011 17 0 "[ . 1 . 2]" 1
489 1 71 ARG H 1 71 ARG HB3 . . 4.200 3.191 3.078 3.307 . 0 0 "[ . 1 . 2]" 1
490 1 46 LYS QB 1 47 TYR H . . 4.080 3.972 3.824 4.042 . 0 0 "[ . 1 . 2]" 1
491 1 46 LYS H 1 46 LYS QB . . 3.380 2.328 2.176 2.488 . 0 0 "[ . 1 . 2]" 1
492 1 71 ARG HB2 1 72 ARG H . . 3.750 2.044 1.936 2.275 . 0 0 "[ . 1 . 2]" 1
493 1 71 ARG H 1 71 ARG HB2 . . 4.190 3.848 3.733 3.903 . 0 0 "[ . 1 . 2]" 1
494 1 71 ARG HB2 1 71 ARG QD . . 3.770 2.354 1.960 2.697 . 0 0 "[ . 1 . 2]" 1
495 1 34 GLN H 1 34 GLN HG3 . . 3.630 3.610 3.047 3.942 0.312 13 0 "[ . 1 . 2]" 1
496 1 34 GLN HE22 1 34 GLN HG3 . . 4.110 3.674 3.446 4.136 0.026 20 0 "[ . 1 . 2]" 1
497 1 34 GLN HA 1 34 GLN HG3 . . 3.710 3.435 2.978 3.558 . 0 0 "[ . 1 . 2]" 1
498 1 42 GLN H 1 42 GLN QG . . 3.830 2.483 1.907 3.327 . 0 0 "[ . 1 . 2]" 1
499 1 42 GLN HA 1 42 GLN QG . . 3.500 2.910 2.230 3.375 . 0 0 "[ . 1 . 2]" 1
500 1 13 VAL H 1 13 VAL HB . . 3.270 2.924 2.491 3.511 0.241 15 0 "[ . 1 . 2]" 1
501 1 52 PRO HB3 1 53 ASP H . . 4.250 3.531 3.457 3.720 . 0 0 "[ . 1 . 2]" 1
502 1 38 LYS HB3 1 39 GLU H . . 3.160 2.992 2.753 3.165 0.005 10 0 "[ . 1 . 2]" 1
503 1 38 LYS H 1 38 LYS HB2 . . 3.190 2.098 2.037 2.210 . 0 0 "[ . 1 . 2]" 1
504 1 102 VAL H 1 102 VAL HB . . 3.480 2.578 2.387 3.519 0.039 14 0 "[ . 1 . 2]" 1
505 1 102 VAL HB 1 103 ILE H . . 3.880 2.723 2.011 4.045 0.165 14 0 "[ . 1 . 2]" 1
506 1 52 PRO HB2 1 53 ASP H . . 4.210 2.960 2.826 3.281 . 0 0 "[ . 1 . 2]" 1
507 1 44 GLU HB3 1 45 TYR H . . 4.100 3.122 1.934 4.168 0.068 16 0 "[ . 1 . 2]" 1
508 1 44 GLU H 1 44 GLU HB2 . . 3.490 3.194 2.421 3.765 0.275 16 0 "[ . 1 . 2]" 1
509 1 72 ARG HB3 1 72 ARG QD . . 3.790 3.035 2.982 3.064 . 0 0 "[ . 1 . 2]" 1
510 1 72 ARG H 1 72 ARG HB2 . . 4.010 3.791 3.765 3.816 . 0 0 "[ . 1 . 2]" 1
511 1 78 HIS H 1 78 HIS QB . . 3.500 2.983 2.438 3.256 . 0 0 "[ . 1 . 2]" 1
512 1 67 LYS H 1 67 LYS HB2 . . 3.540 3.553 3.525 3.566 0.026 9 0 "[ . 1 . 2]" 1
513 1 29 LYS HB3 1 30 ALA H . . 3.780 2.315 2.180 2.733 . 0 0 "[ . 1 . 2]" 1
514 1 29 LYS H 1 29 LYS HB3 . . 3.470 2.602 2.237 3.284 . 0 0 "[ . 1 . 2]" 1
515 1 67 LYS H 1 67 LYS HB3 . . 3.550 2.765 2.715 2.901 . 0 0 "[ . 1 . 2]" 1
516 1 29 LYS HB2 1 30 ALA H . . 3.970 3.561 2.958 3.832 . 0 0 "[ . 1 . 2]" 1
517 1 83 LYS H 1 83 LYS HB3 . . 3.400 3.201 2.595 3.538 0.138 14 0 "[ . 1 . 2]" 1
518 1 94 VAL H 1 94 VAL HB . . 3.260 2.530 2.372 2.630 . 0 0 "[ . 1 . 2]" 1
519 1 62 MET HA 1 62 MET HG3 . . 3.480 2.708 2.611 2.793 . 0 0 "[ . 1 . 2]" 1
520 1 62 MET HA 1 62 MET HG2 . . 3.800 3.344 3.192 3.824 0.024 16 0 "[ . 1 . 2]" 1
521 1 56 ARG QB 1 57 SER H . . 3.990 2.316 1.933 2.875 . 0 0 "[ . 1 . 2]" 1
522 1 56 ARG H 1 56 ARG QB . . 3.400 2.889 2.274 3.071 . 0 0 "[ . 1 . 2]" 1
523 1 12 GLU H 1 12 GLU HB2 . . 3.070 2.838 2.353 3.144 0.074 9 0 "[ . 1 . 2]" 1
524 1 104 GLU H 1 104 GLU HB3 . . 4.020 3.182 2.610 3.407 . 0 0 "[ . 1 . 2]" 1
525 1 104 GLU H 1 104 GLU HB2 . . 4.130 3.730 2.801 3.881 . 0 0 "[ . 1 . 2]" 1
526 1 12 GLU HB3 1 13 VAL H . . 4.080 4.269 1.956 4.534 0.454 20 0 "[ . 1 . 2]" 1
527 1 49 GLN H 1 49 GLN QB . . 3.330 2.232 2.208 2.268 . 0 0 "[ . 1 . 2]" 1
528 1 49 GLN QB 1 50 VAL H . . 3.970 3.805 3.701 3.911 . 0 0 "[ . 1 . 2]" 1
529 1 49 GLN QB 1 58 PHE QE . . 3.840 2.538 1.985 3.153 . 0 0 "[ . 1 . 2]" 1
530 1 39 GLU H 1 39 GLU HB3 . . 3.860 3.449 3.337 3.520 . 0 0 "[ . 1 . 2]" 1
531 1 9 GLU H 1 9 GLU HB2 . . 4.000 3.501 2.322 4.014 0.014 10 0 "[ . 1 . 2]" 1
532 1 26 GLU QB 1 27 ASN H . . 3.600 2.323 2.161 2.566 . 0 0 "[ . 1 . 2]" 1
533 1 26 GLU H 1 26 GLU QB . . 3.140 2.105 1.998 2.278 . 0 0 "[ . 1 . 2]" 1
534 1 39 GLU HB2 1 41 ILE MD . . 3.980 2.003 1.929 2.255 . 0 0 "[ . 1 . 2]" 1
535 1 39 GLU H 1 39 GLU HB2 . . 3.760 2.168 2.061 2.283 . 0 0 "[ . 1 . 2]" 1
536 1 83 LYS HA 1 83 LYS QD . . 4.260 3.006 2.217 3.972 . 0 0 "[ . 1 . 2]" 1
537 1 87 GLN H 1 87 GLN HB2 . . 3.480 2.191 2.039 2.569 . 0 0 "[ . 1 . 2]" 1
538 1 25 LEU MD2 1 87 GLN HB2 . . 3.740 3.163 1.986 3.787 0.047 20 0 "[ . 1 . 2]" 1
539 1 87 GLN H 1 87 GLN HB3 . . 3.480 3.437 3.292 3.559 0.079 11 0 "[ . 1 . 2]" 1
540 1 25 LEU MD2 1 87 GLN HB3 . . 3.530 1.926 1.740 2.207 . 0 0 "[ . 1 . 2]" 1
541 1 40 LYS HA 1 40 LYS HD3 . . 4.220 3.496 2.509 4.190 . 0 0 "[ . 1 . 2]" 1
542 1 31 ARG H 1 31 ARG HB2 . . 3.950 2.309 2.044 2.526 . 0 0 "[ . 1 . 2]" 1
543 1 34 GLN H 1 34 GLN QB . . 3.440 2.071 2.025 2.187 . 0 0 "[ . 1 . 2]" 1
544 1 37 GLN H 1 37 GLN HB2 . . 2.980 2.468 2.128 3.594 0.614 10 4 "[ . - +** . 2]" 1
545 1 72 ARG HA 1 72 ARG HG2 . . 4.070 4.025 3.987 4.039 . 0 0 "[ . 1 . 2]" 1
546 1 99 HIS H 1 99 HIS HB3 . . 3.680 2.022 1.997 2.126 . 0 0 "[ . 1 . 2]" 1
547 1 99 HIS HB3 1 100 LEU H . . 4.250 3.050 2.664 3.204 . 0 0 "[ . 1 . 2]" 1
548 1 68 GLN H 1 68 GLN HB3 . . 3.890 2.505 2.155 2.584 . 0 0 "[ . 1 . 2]" 1
549 1 66 ILE MG 1 68 GLN HB3 . . 3.740 3.490 1.942 3.732 . 0 0 "[ . 1 . 2]" 1
550 1 66 ILE MG 1 68 GLN HB2 . . 3.820 3.841 3.352 3.984 0.164 19 0 "[ . 1 . 2]" 1
551 1 68 GLN H 1 68 GLN HB2 . . 4.000 3.474 2.748 3.551 . 0 0 "[ . 1 . 2]" 1
552 1 93 LEU H 1 93 LEU MD2 . . 3.700 1.889 1.820 1.990 . 0 0 "[ . 1 . 2]" 1
553 1 90 ALA HA 1 93 LEU MD2 . . 3.420 2.163 2.011 2.419 . 0 0 "[ . 1 . 2]" 1
554 1 93 LEU HB2 1 93 LEU MD2 . . 3.030 2.096 2.062 2.155 . 0 0 "[ . 1 . 2]" 1
555 1 62 MET HB3 1 93 LEU MD2 . . 3.040 2.111 1.971 2.447 . 0 0 "[ . 1 . 2]" 1
556 1 93 LEU HB3 1 93 LEU MD2 . . 3.520 3.159 3.144 3.182 . 0 0 "[ . 1 . 2]" 1
557 1 59 ILE H 1 59 ILE HG13 . . 4.080 2.864 2.599 3.022 . 0 0 "[ . 1 . 2]" 1
558 1 81 ASN H 1 84 LEU HG . . 4.150 3.624 2.876 3.975 . 0 0 "[ . 1 . 2]" 1
559 1 81 ASN HD21 1 84 LEU HG . . 4.100 3.753 2.977 4.891 0.791 15 1 "[ . 1 + 2]" 1
560 1 84 LEU HA 1 84 LEU HG . . 3.820 3.103 2.762 3.728 . 0 0 "[ . 1 . 2]" 1
561 1 89 CYS H 1 89 CYS HB3 . . 3.630 2.903 2.816 3.014 . 0 0 "[ . 1 . 2]" 1
562 1 89 CYS HB3 1 90 ALA H . . 3.780 2.296 2.173 2.431 . 0 0 "[ . 1 . 2]" 1
563 1 89 CYS H 1 89 CYS HB2 . . 3.670 2.174 2.122 2.230 . 0 0 "[ . 1 . 2]" 1
564 1 89 CYS HB2 1 90 ALA H . . 3.920 3.451 3.335 3.538 . 0 0 "[ . 1 . 2]" 1
565 1 8 LEU HA 1 8 LEU HG . . 4.240 2.776 2.079 3.722 . 0 0 "[ . 1 . 2]" 1
566 1 8 LEU H 1 8 LEU HG . . 3.830 3.291 2.178 3.862 0.032 11 0 "[ . 1 . 2]" 1
567 1 41 ILE HG13 1 41 ILE MG . . 3.630 3.203 3.173 3.224 . 0 0 "[ . 1 . 2]" 1
568 1 24 THR HB 1 25 LEU H . . 4.000 3.021 2.856 3.279 . 0 0 "[ . 1 . 2]" 1
569 1 15 LEU HA 1 15 LEU HG . . 3.810 3.268 2.121 3.732 . 0 0 "[ . 1 . 2]" 1
570 1 19 LEU HA 1 19 LEU HG . . 3.950 3.054 2.289 3.751 . 0 0 "[ . 1 . 2]" 1
571 1 19 LEU H 1 19 LEU HG . . 3.530 2.915 1.955 3.905 0.375 16 0 "[ . 1 . 2]" 1
572 1 52 PRO HG3 1 55 ASN QB . . 4.190 4.233 4.203 4.264 0.074 14 0 "[ . 1 . 2]" 1
573 1 100 LEU H 1 100 LEU HG . . 3.720 2.649 2.325 3.569 . 0 0 "[ . 1 . 2]" 1
574 1 25 LEU H 1 25 LEU HG . . 3.540 2.696 2.582 3.047 . 0 0 "[ . 1 . 2]" 1
575 1 32 LEU H 1 32 LEU MD2 . . 4.230 4.150 4.082 4.218 . 0 0 "[ . 1 . 2]" 1
576 1 32 LEU MD2 1 36 PHE HZ . . 3.540 3.281 2.372 3.780 0.240 14 0 "[ . 1 . 2]" 1
577 1 32 LEU HB2 1 32 LEU MD2 . . 3.620 2.368 2.289 2.490 . 0 0 "[ . 1 . 2]" 1
578 1 32 LEU MD2 1 93 LEU HB2 . . 4.080 2.747 2.103 3.355 . 0 0 "[ . 1 . 2]" 1
579 1 64 ILE HA 1 64 ILE HG13 . . 4.250 3.666 3.647 3.698 . 0 0 "[ . 1 . 2]" 1
580 1 64 ILE HG13 1 93 LEU MD1 . . 4.110 3.164 2.884 3.361 . 0 0 "[ . 1 . 2]" 1
581 1 66 ILE H 1 66 ILE QG . . 3.750 2.442 2.294 2.498 . 0 0 "[ . 1 . 2]" 1
582 1 64 ILE H 1 64 ILE HG12 . . 4.060 2.618 2.469 2.747 . 0 0 "[ . 1 . 2]" 1
583 1 103 ILE H 1 103 ILE HG12 . . 4.250 1.987 1.794 2.226 . 0 0 "[ . 1 . 2]" 1
584 1 64 ILE H 1 64 ILE HG13 . . 4.060 2.320 2.106 2.439 . 0 0 "[ . 1 . 2]" 1
585 1 75 ALA MB 1 76 ARG H . . 3.560 2.642 2.514 2.801 . 0 0 "[ . 1 . 2]" 1
586 1 75 ALA H 1 75 ALA MB . . 3.590 2.527 2.469 2.644 . 0 0 "[ . 1 . 2]" 1
587 1 75 ALA MB 1 93 LEU H . . 3.670 3.265 3.127 3.449 . 0 0 "[ . 1 . 2]" 1
588 1 75 ALA MB 1 96 GLN HE21 . . 4.050 3.881 3.658 4.085 0.035 13 0 "[ . 1 . 2]" 1
589 1 75 ALA MB 1 92 SER HG . . 4.120 2.637 2.105 3.351 . 0 0 "[ . 1 . 2]" 1
590 1 75 ALA MB 1 92 SER QB . . 3.210 1.843 1.738 1.894 . 0 0 "[ . 1 . 2]" 1
591 1 66 ILE HB 1 71 ARG QG . . 4.160 3.374 2.957 3.752 . 0 0 "[ . 1 . 2]" 1
592 1 71 ARG H 1 71 ARG QG . . 4.120 2.184 1.911 2.426 . 0 0 "[ . 1 . 2]" 1
593 1 48 THR H 1 48 THR HB . . 3.720 2.391 2.306 2.460 . 0 0 "[ . 1 . 2]" 1
594 1 48 THR HB 1 59 ILE H . . 4.260 3.183 3.038 3.325 . 0 0 "[ . 1 . 2]" 1
595 1 48 THR HB 1 59 ILE HB . . 3.270 2.022 1.989 2.098 . 0 0 "[ . 1 . 2]" 1
596 1 48 THR HB 1 59 ILE MG . . 3.540 2.551 2.409 2.743 . 0 0 "[ . 1 . 2]" 1
597 1 25 LEU H 1 91 LEU QD . . 3.760 2.970 2.326 3.497 . 0 0 "[ . 1 . 2]" 1
598 1 25 LEU HG 1 91 LEU QD . . 3.410 2.053 1.785 2.620 . 0 0 "[ . 1 . 2]" 1
599 1 24 THR HA 1 91 LEU QD . . 3.570 3.174 2.960 3.337 . 0 0 "[ . 1 . 2]" 1
600 1 88 SER HA 1 91 LEU QD . . 4.020 3.226 2.919 3.964 . 0 0 "[ . 1 . 2]" 1
601 1 100 LEU H 1 100 LEU QD . . 3.860 2.981 1.924 3.257 . 0 0 "[ . 1 . 2]" 1
602 1 100 LEU HA 1 100 LEU QD . . 2.740 2.217 1.994 2.588 . 0 0 "[ . 1 . 2]" 1
603 1 97 LEU HA 1 100 LEU QD . . 3.750 3.042 2.320 3.695 . 0 0 "[ . 1 . 2]" 1
604 1 96 GLN HB3 1 100 LEU QD . . 4.190 2.828 2.510 4.094 . 0 0 "[ . 1 . 2]" 1
605 1 100 LEU HB3 1 100 LEU QD . . 3.260 2.119 1.974 2.200 . 0 0 "[ . 1 . 2]" 1
606 1 84 LEU HA 1 84 LEU QD . . 2.790 2.005 1.929 2.390 . 0 0 "[ . 1 . 2]" 1
607 1 80 SER H 1 84 LEU QD . . 3.870 2.773 1.870 3.605 . 0 0 "[ . 1 . 2]" 1
608 1 84 LEU H 1 84 LEU QD . . 3.660 2.865 1.798 3.648 . 0 0 "[ . 1 . 2]" 1
609 1 81 ASN H 1 84 LEU QD . . 3.380 2.462 2.002 2.699 . 0 0 "[ . 1 . 2]" 1
610 1 81 ASN HD21 1 84 LEU QD . . 3.550 2.669 1.859 3.730 0.180 20 0 "[ . 1 . 2]" 1
611 1 80 SER QB 1 84 LEU QD . . 3.460 2.204 1.837 3.181 . 0 0 "[ . 1 . 2]" 1
612 1 32 LEU H 1 94 VAL QG . . 3.520 3.033 2.589 3.365 . 0 0 "[ . 1 . 2]" 1
613 1 28 ALA HA 1 94 VAL QG . . 3.720 1.964 1.791 2.369 . 0 0 "[ . 1 . 2]" 1
614 1 91 LEU HA 1 94 VAL QG . . 3.960 2.340 1.971 2.897 . 0 0 "[ . 1 . 2]" 1
615 1 94 VAL HA 1 94 VAL QG . . 3.120 2.102 2.078 2.174 . 0 0 "[ . 1 . 2]" 1
616 1 28 ALA MB 1 94 VAL QG . . 2.950 1.925 1.736 2.215 . 0 0 "[ . 1 . 2]" 1
617 1 29 LYS HA 1 29 LYS QG . . 3.680 2.418 1.967 3.022 . 0 0 "[ . 1 . 2]" 1
618 1 83 LYS HA 1 83 LYS HG2 . . 3.960 2.927 2.180 3.500 . 0 0 "[ . 1 . 2]" 1
619 1 15 LEU H 1 15 LEU QD . . 3.750 3.219 2.006 3.736 . 0 0 "[ . 1 . 2]" 1
620 1 15 LEU HA 1 15 LEU QD . . 2.830 2.152 1.883 2.766 . 0 0 "[ . 1 . 2]" 1
621 1 19 LEU H 1 19 LEU QD . . 3.870 2.819 1.711 3.630 . 0 0 "[ . 1 . 2]" 1
622 1 67 LYS H 1 67 LYS HG3 . . 4.160 3.437 3.399 3.456 . 0 0 "[ . 1 . 2]" 1
623 1 67 LYS QE 1 67 LYS HG3 . . 3.810 2.146 1.978 2.370 . 0 0 "[ . 1 . 2]" 1
624 1 67 LYS QE 1 67 LYS HG2 . . 3.870 3.022 2.855 3.353 . 0 0 "[ . 1 . 2]" 1
625 1 67 LYS H 1 67 LYS HG2 . . 3.970 1.919 1.906 1.947 . 0 0 "[ . 1 . 2]" 1
626 1 46 LYS HA 1 46 LYS HG2 . . 3.910 3.101 1.983 3.807 . 0 0 "[ . 1 . 2]" 1
627 1 38 LYS HA 1 38 LYS QG . . 3.230 2.325 1.941 2.545 . 0 0 "[ . 1 . 2]" 1
628 1 38 LYS QE 1 38 LYS QG . . 3.240 2.112 1.970 2.420 . 0 0 "[ . 1 . 2]" 1
629 1 40 LYS H 1 40 LYS QG . . 3.530 3.026 2.458 3.495 . 0 0 "[ . 1 . 2]" 1
630 1 40 LYS HA 1 40 LYS QG . . 3.250 2.439 1.944 2.987 . 0 0 "[ . 1 . 2]" 1
631 1 46 LYS HA 1 46 LYS HG3 . . 4.210 2.750 2.043 3.329 . 0 0 "[ . 1 . 2]" 1
632 1 63 THR HB 1 64 ILE H . . 4.020 4.081 4.045 4.155 0.135 16 0 "[ . 1 . 2]" 1
633 1 63 THR HB 1 74 PHE QD . . 3.940 3.918 3.725 4.175 0.235 17 0 "[ . 1 . 2]" 1
634 1 63 THR H 1 63 THR HB . . 3.370 2.768 2.629 2.894 . 0 0 "[ . 1 . 2]" 1
635 1 67 LYS HG2 1 68 GLN H . . 4.260 1.949 1.899 2.151 . 0 0 "[ . 1 . 2]" 1
636 1 25 LEU H 1 25 LEU MD2 . . 3.890 3.900 3.565 4.048 0.158 10 0 "[ . 1 . 2]" 1
637 1 25 LEU MD2 1 88 SER H . . 3.950 2.701 2.157 3.172 . 0 0 "[ . 1 . 2]" 1
638 1 94 VAL H 1 97 LEU MD1 . . 4.140 3.553 3.366 3.674 . 0 0 "[ . 1 . 2]" 1
639 1 35 TYR QD 1 97 LEU MD1 . . 4.080 3.781 3.468 4.024 . 0 0 "[ . 1 . 2]" 1
640 1 94 VAL HA 1 97 LEU MD1 . . 3.380 2.263 2.037 2.335 . 0 0 "[ . 1 . 2]" 1
641 1 93 LEU HB2 1 97 LEU MD1 . . 4.230 3.232 2.888 3.368 . 0 0 "[ . 1 . 2]" 1
642 1 97 LEU HB2 1 97 LEU MD1 . . 3.320 2.153 2.127 2.195 . 0 0 "[ . 1 . 2]" 1
643 1 97 LEU HB3 1 97 LEU MD1 . . 3.150 2.518 2.494 2.533 . 0 0 "[ . 1 . 2]" 1
644 1 97 LEU H 1 97 LEU MD1 . . 3.750 3.363 3.299 3.469 . 0 0 "[ . 1 . 2]" 1
645 1 8 LEU HA 1 8 LEU MD2 . . 3.250 2.853 2.030 4.116 0.866 15 3 "[ . 1- + * 2]" 1
646 1 91 LEU QD 1 95 ARG H . . 4.010 3.351 2.255 3.693 . 0 0 "[ . 1 . 2]" 1
647 1 91 LEU H 1 91 LEU QD . . 4.060 3.610 3.364 3.651 . 0 0 "[ . 1 . 2]" 1
648 1 91 LEU QD 1 95 ARG QH2 . . 3.990 3.592 2.203 4.518 0.528 8 1 "[ . + 1 . 2]" 1
649 1 91 LEU HA 1 91 LEU QD . . 3.120 2.078 1.878 2.228 . 0 0 "[ . 1 . 2]" 1
650 1 91 LEU QD 1 95 ARG QD . . 3.720 2.340 1.580 3.114 . 0 0 "[ . 1 . 2]" 1
651 1 23 TRP HB3 1 91 LEU QD . . 3.920 2.651 2.223 3.042 . 0 0 "[ . 1 . 2]" 1
652 1 91 LEU QD 1 95 ARG HG3 . . 3.340 2.768 1.936 3.286 . 0 0 "[ . 1 . 2]" 1
653 1 91 LEU QD 1 94 VAL HB . . 3.630 2.746 2.529 3.006 . 0 0 "[ . 1 . 2]" 1
654 1 84 LEU HB3 1 84 LEU QD . . 3.200 2.182 2.063 2.452 . 0 0 "[ . 1 . 2]" 1
655 1 84 LEU QD 1 87 GLN HB2 . . 4.060 3.474 2.999 3.880 . 0 0 "[ . 1 . 2]" 1
656 1 19 LEU HA 1 19 LEU QD . . 2.800 2.319 1.966 2.788 . 0 0 "[ . 1 . 2]" 1
657 1 35 TYR QE 1 97 LEU MD2 . . 4.100 3.659 3.294 3.950 . 0 0 "[ . 1 . 2]" 1
658 1 97 LEU HA 1 97 LEU MD2 . . 3.010 2.241 1.993 2.311 . 0 0 "[ . 1 . 2]" 1
659 1 97 LEU MD2 1 102 VAL HB . . 3.440 2.263 1.979 3.321 . 0 0 "[ . 1 . 2]" 1
660 1 97 LEU HB2 1 97 LEU MD2 . . 3.530 3.188 3.183 3.211 . 0 0 "[ . 1 . 2]" 1
661 1 66 ILE QG 1 97 LEU MD2 . . 3.530 2.343 2.158 2.587 . 0 0 "[ . 1 . 2]" 1
662 1 97 LEU HB3 1 97 LEU MD2 . . 2.940 2.235 2.190 2.384 . 0 0 "[ . 1 . 2]" 1
663 1 74 PHE HA 1 93 LEU MD1 . . 3.740 2.804 2.592 2.916 . 0 0 "[ . 1 . 2]" 1
664 1 93 LEU HA 1 93 LEU MD1 . . 2.980 2.014 1.928 2.068 . 0 0 "[ . 1 . 2]" 1
665 1 93 LEU HB2 1 93 LEU MD1 . . 3.520 3.205 3.196 3.213 . 0 0 "[ . 1 . 2]" 1
666 1 74 PHE H 1 93 LEU MD1 . . 4.090 3.663 3.453 3.878 . 0 0 "[ . 1 . 2]" 1
667 1 75 ALA H 1 93 LEU MD1 . . 3.830 2.934 2.787 3.060 . 0 0 "[ . 1 . 2]" 1
668 1 93 LEU H 1 93 LEU MD1 . . 3.710 2.909 2.783 3.076 . 0 0 "[ . 1 . 2]" 1
669 1 93 LEU MD1 1 96 GLN HE21 . . 3.890 2.851 2.613 3.724 . 0 0 "[ . 1 . 2]" 1
670 1 93 LEU MD1 1 96 GLN HE22 . . 4.140 2.855 2.163 3.604 . 0 0 "[ . 1 . 2]" 1
671 1 75 ALA MB 1 93 LEU MD1 . . 2.990 1.841 1.709 1.945 . 0 0 "[ . 1 . 2]" 1
672 1 32 LEU MD1 1 35 TYR QD . . 3.610 2.852 2.056 3.199 . 0 0 "[ . 1 . 2]" 1
673 1 32 LEU MD1 1 94 VAL H . . 3.910 3.704 3.202 3.917 0.007 18 0 "[ . 1 . 2]" 1
674 1 32 LEU H 1 32 LEU MD1 . . 3.920 3.794 3.459 3.922 0.002 20 0 "[ . 1 . 2]" 1
675 1 32 LEU HA 1 32 LEU MD1 . . 2.960 2.002 1.933 2.120 . 0 0 "[ . 1 . 2]" 1
676 1 32 LEU MD1 1 35 TYR HB3 . . 3.820 3.022 2.764 3.156 . 0 0 "[ . 1 . 2]" 1
677 1 32 LEU MD1 1 35 TYR HB2 . . 4.060 3.984 3.799 4.073 0.013 5 0 "[ . 1 . 2]" 1
678 1 32 LEU HB3 1 32 LEU MD1 . . 3.480 3.220 3.214 3.223 . 0 0 "[ . 1 . 2]" 1
679 1 32 LEU HB2 1 32 LEU MD1 . . 3.160 2.396 2.308 2.464 . 0 0 "[ . 1 . 2]" 1
680 1 102 VAL H 1 102 VAL QG . . 3.030 2.546 1.816 2.797 . 0 0 "[ . 1 . 2]" 1
681 1 102 VAL HA 1 102 VAL QG . . 2.950 2.180 2.077 2.603 . 0 0 "[ . 1 . 2]" 1
682 1 68 GLN QG 1 102 VAL QG . . 4.160 2.981 2.725 3.592 . 0 0 "[ . 1 . 2]" 1
683 1 97 LEU MD1 1 102 VAL QG . . 3.850 3.188 2.582 3.463 . 0 0 "[ . 1 . 2]" 1
684 1 69 LEU H 1 69 LEU MD2 . . 3.720 3.178 2.787 3.472 . 0 0 "[ . 1 . 2]" 1
685 1 69 LEU HA 1 69 LEU MD2 . . 2.760 1.948 1.888 2.284 . 0 0 "[ . 1 . 2]" 1
686 1 60 ALA MB 1 61 GLU H . . 3.410 3.451 3.431 3.479 0.069 3 0 "[ . 1 . 2]" 1
687 1 60 ALA MB 1 89 CYS H . . 4.160 3.732 3.512 3.919 . 0 0 "[ . 1 . 2]" 1
688 1 47 TYR QE 1 60 ALA MB . . 3.460 2.326 2.071 2.568 . 0 0 "[ . 1 . 2]" 1
689 1 60 ALA MB 1 86 ALA HA . . 3.260 2.389 1.995 2.844 . 0 0 "[ . 1 . 2]" 1
690 1 60 ALA MB 1 89 CYS HB3 . . 3.640 3.612 3.396 3.668 0.028 8 0 "[ . 1 . 2]" 1
691 1 60 ALA H 1 60 ALA MB . . 3.380 2.136 2.045 2.248 . 0 0 "[ . 1 . 2]" 1
692 1 60 ALA MB 1 86 ALA H . . 4.010 2.898 2.535 3.381 . 0 0 "[ . 1 . 2]" 1
693 1 45 TYR QD 1 60 ALA MB . . 3.350 2.854 2.723 3.221 . 0 0 "[ . 1 . 2]" 1
694 1 60 ALA MB 1 89 CYS HB2 . . 3.460 2.683 2.459 2.851 . 0 0 "[ . 1 . 2]" 1
695 1 24 THR H 1 24 THR MG . . 3.670 1.958 1.890 2.331 . 0 0 "[ . 1 . 2]" 1
696 1 50 VAL H 1 50 VAL MG1 . . 3.920 3.068 2.939 3.313 . 0 0 "[ . 1 . 2]" 1
697 1 50 VAL MG1 1 51 GLY H . . 3.560 3.568 3.514 3.605 0.045 18 0 "[ . 1 . 2]" 1
698 1 50 VAL HA 1 50 VAL MG1 . . 3.260 2.321 2.227 2.387 . 0 0 "[ . 1 . 2]" 1
699 1 94 VAL HA 1 97 LEU H . . 4.040 3.493 3.296 3.738 . 0 0 "[ . 1 . 2]" 1
700 1 94 VAL HA 1 97 LEU HB2 . . 3.500 2.491 2.383 2.587 . 0 0 "[ . 1 . 2]" 1
701 1 13 VAL QG 1 14 ASP H . . 3.500 2.193 1.878 3.001 . 0 0 "[ . 1 . 2]" 1
702 1 48 THR H 1 48 THR MG . . 4.010 3.739 3.674 3.789 . 0 0 "[ . 1 . 2]" 1
703 1 48 THR MG 1 49 GLN H . . 3.270 3.139 2.997 3.277 0.007 4 0 "[ . 1 . 2]" 1
704 1 48 THR HA 1 48 THR MG . . 2.980 2.448 2.359 2.505 . 0 0 "[ . 1 . 2]" 1
705 1 63 THR MG 1 73 ILE H . . 4.190 3.936 3.706 4.183 . 0 0 "[ . 1 . 2]" 1
706 1 63 THR MG 1 64 ILE H . . 3.380 2.592 2.109 3.063 . 0 0 "[ . 1 . 2]" 1
707 1 63 THR MG 1 74 PHE QD . . 3.770 2.577 1.955 3.258 . 0 0 "[ . 1 . 2]" 1
708 1 63 THR MG 1 74 PHE HA . . 3.960 2.167 1.966 2.902 . 0 0 "[ . 1 . 2]" 1
709 1 63 THR HA 1 63 THR MG . . 3.230 2.252 2.089 2.447 . 0 0 "[ . 1 . 2]" 1
710 1 13 VAL HA 1 13 VAL QG . . 2.980 2.147 1.922 2.351 . 0 0 "[ . 1 . 2]" 1
711 1 13 VAL H 1 13 VAL QG . . 3.040 2.562 1.812 2.944 . 0 0 "[ . 1 . 2]" 1
712 1 50 VAL MG2 1 59 ILE H . . 3.890 3.362 3.100 3.738 . 0 0 "[ . 1 . 2]" 1
713 1 50 VAL H 1 50 VAL MG2 . . 3.130 2.196 2.024 2.413 . 0 0 "[ . 1 . 2]" 1
714 1 50 VAL MG2 1 51 GLY H . . 3.790 3.330 2.891 3.510 . 0 0 "[ . 1 . 2]" 1
715 1 50 VAL MG2 1 58 PHE HA . . 3.850 3.850 3.744 3.908 0.058 2 0 "[ . 1 . 2]" 1
716 1 50 VAL HA 1 50 VAL MG2 . . 3.350 3.215 3.207 3.220 . 0 0 "[ . 1 . 2]" 1
717 1 17 ALA MB 1 18 GLY H . . 3.810 2.609 2.132 3.160 . 0 0 "[ . 1 . 2]" 1
718 1 17 ALA H 1 17 ALA MB . . 3.030 2.073 1.935 2.179 . 0 0 "[ . 1 . 2]" 1
719 1 105 ALA H 1 105 ALA MB . . 2.890 2.192 2.006 2.785 . 0 0 "[ . 1 . 2]" 1
720 1 105 ALA MB 1 106 TYR H . . 3.300 3.027 2.678 3.317 0.017 14 0 "[ . 1 . 2]" 1
721 1 28 ALA MB 1 94 VAL H . . 4.020 3.940 3.688 4.115 0.095 11 0 "[ . 1 . 2]" 1
722 1 28 ALA MB 1 29 LYS H . . 3.430 2.360 2.064 2.740 . 0 0 "[ . 1 . 2]" 1
723 1 28 ALA H 1 28 ALA MB . . 2.970 2.052 1.969 2.196 . 0 0 "[ . 1 . 2]" 1
724 1 28 ALA MB 1 91 LEU H . . 4.030 2.703 2.257 3.119 . 0 0 "[ . 1 . 2]" 1
725 1 23 TRP HE3 1 28 ALA MB . . 3.630 3.645 2.924 3.806 0.176 11 0 "[ . 1 . 2]" 1
726 1 28 ALA MB 1 91 LEU HA . . 3.040 1.883 1.775 2.131 . 0 0 "[ . 1 . 2]" 1
727 1 23 TRP HB3 1 28 ALA MB . . 4.220 3.157 2.636 3.498 . 0 0 "[ . 1 . 2]" 1
728 1 64 ILE MG 1 65 TYR H . . 3.410 3.412 3.361 3.437 0.027 9 0 "[ . 1 . 2]" 1
729 1 64 ILE H 1 64 ILE MG . . 3.780 3.471 3.358 3.511 . 0 0 "[ . 1 . 2]" 1
730 1 36 PHE HZ 1 64 ILE MG . . 3.340 1.946 1.768 2.198 . 0 0 "[ . 1 . 2]" 1
731 1 35 TYR QE 1 64 ILE MG . . 3.550 3.563 3.538 3.606 0.056 14 0 "[ . 1 . 2]" 1
732 1 64 ILE HA 1 64 ILE MG . . 3.130 2.029 2.003 2.173 . 0 0 "[ . 1 . 2]" 1
733 1 43 GLY HA2 1 64 ILE MG . . 4.030 3.981 3.728 4.049 0.019 17 0 "[ . 1 . 2]" 1
734 1 64 ILE HG13 1 64 ILE MG . . 3.680 3.212 3.203 3.222 . 0 0 "[ . 1 . 2]" 1
735 1 66 ILE MG 1 68 GLN H . . 3.650 2.442 2.039 2.567 . 0 0 "[ . 1 . 2]" 1
736 1 66 ILE H 1 66 ILE MG . . 3.960 3.839 3.814 3.861 . 0 0 "[ . 1 . 2]" 1
737 1 66 ILE MG 1 70 GLY H . . 4.040 3.646 3.543 3.983 . 0 0 "[ . 1 . 2]" 1
738 1 66 ILE MG 1 69 LEU H . . 3.080 2.105 1.944 2.694 . 0 0 "[ . 1 . 2]" 1
739 1 66 ILE HA 1 66 ILE MG . . 3.160 2.271 2.243 2.323 . 0 0 "[ . 1 . 2]" 1
740 1 66 ILE MG 1 69 LEU HG . . 3.370 1.822 1.767 2.245 . 0 0 "[ . 1 . 2]" 1
741 1 66 ILE MG 1 97 LEU MD2 . . 3.710 3.345 3.047 3.511 . 0 0 "[ . 1 . 2]" 1
742 1 66 ILE MG 1 67 LYS H . . 3.820 2.955 2.704 3.077 . 0 0 "[ . 1 . 2]" 1
743 1 107 SER H 1 107 SER QB . . 3.660 2.553 2.288 3.045 . 0 0 "[ . 1 . 2]" 1
744 1 43 GLY HA3 1 64 ILE MG . . 3.960 3.157 3.003 3.419 . 0 0 "[ . 1 . 2]" 1
745 1 59 ILE MG 1 60 ALA H . . 3.490 3.328 3.148 3.409 . 0 0 "[ . 1 . 2]" 1
746 1 59 ILE MG 1 77 GLU H . . 3.600 3.608 3.277 3.871 0.271 16 0 "[ . 1 . 2]" 1
747 1 59 ILE MG 1 76 ARG HA . . 3.970 3.548 3.361 3.676 . 0 0 "[ . 1 . 2]" 1
748 1 59 ILE MG 1 61 GLU HG2 . . 3.900 3.734 3.508 3.884 . 0 0 "[ . 1 . 2]" 1
749 1 50 VAL H 1 57 SER QB . . 3.890 4.137 3.538 4.656 0.766 8 5 "[ **. + - .* 2]" 1
750 1 60 ALA H 1 85 ALA MB . . 3.630 2.167 2.018 2.425 . 0 0 "[ . 1 . 2]" 1
751 1 85 ALA MB 1 86 ALA H . . 3.420 2.220 2.039 2.679 . 0 0 "[ . 1 . 2]" 1
752 1 85 ALA H 1 85 ALA MB . . 3.050 2.034 1.994 2.100 . 0 0 "[ . 1 . 2]" 1
753 1 79 GLY HA3 1 85 ALA MB . . 3.780 2.562 1.924 2.839 . 0 0 "[ . 1 . 2]" 1
754 1 82 LYS HA 1 85 ALA MB . . 3.460 2.757 2.247 2.929 . 0 0 "[ . 1 . 2]" 1
755 1 58 PHE HB3 1 85 ALA MB . . 3.840 3.769 3.401 3.859 0.019 17 0 "[ . 1 . 2]" 1
756 1 58 PHE HB2 1 85 ALA MB . . 3.670 3.433 3.072 3.628 . 0 0 "[ . 1 . 2]" 1
757 1 30 ALA MB 1 31 ARG H . . 3.280 2.217 1.988 2.739 . 0 0 "[ . 1 . 2]" 1
758 1 30 ALA MB 1 33 ASN QB . . 3.980 3.949 3.807 4.126 0.146 8 0 "[ . 1 . 2]" 1
759 1 30 ALA H 1 30 ALA MB . . 2.710 2.092 1.939 2.173 . 0 0 "[ . 1 . 2]" 1
760 1 10 SER H 1 10 SER HB2 . . 3.890 2.855 2.217 3.595 . 0 0 "[ . 1 . 2]" 1
761 1 106 TYR QE 1 108 SER HB2 . . 4.210 3.021 2.122 3.959 . 0 0 "[ . 1 . 2]" 1
762 1 108 SER H 1 108 SER HB2 . . 4.090 2.660 2.018 3.486 . 0 0 "[ . 1 . 2]" 1
763 1 106 TYR QD 1 108 SER HB3 . . 4.190 3.653 1.993 4.231 0.041 14 0 "[ . 1 . 2]" 1
764 1 77 GLU HG2 1 89 CYS HA . . 3.620 3.421 2.942 3.634 0.014 13 0 "[ . 1 . 2]" 1
765 1 77 GLU HG3 1 89 CYS HA . . 3.690 3.087 2.353 3.687 . 0 0 "[ . 1 . 2]" 1
766 1 75 ALA MB 1 89 CYS HA . . 3.480 2.596 2.347 2.736 . 0 0 "[ . 1 . 2]" 1
767 1 90 ALA H 1 90 ALA MB . . 2.920 2.071 1.946 2.172 . 0 0 "[ . 1 . 2]" 1
768 1 29 LYS H 1 90 ALA MB . . 4.110 3.086 2.787 3.437 . 0 0 "[ . 1 . 2]" 1
769 1 90 ALA MB 1 91 LEU H . . 3.370 2.089 1.968 2.365 . 0 0 "[ . 1 . 2]" 1
770 1 87 GLN HA 1 90 ALA MB . . 3.350 2.721 2.448 2.990 . 0 0 "[ . 1 . 2]" 1
771 1 29 LYS HB2 1 90 ALA MB . . 4.120 2.921 2.694 3.528 . 0 0 "[ . 1 . 2]" 1
772 1 32 LEU MD2 1 90 ALA MB . . 3.000 1.982 1.833 2.526 . 0 0 "[ . 1 . 2]" 1
773 1 32 LEU MD1 1 90 ALA MB . . 4.250 3.836 3.432 4.096 . 0 0 "[ . 1 . 2]" 1
774 1 32 LEU HB2 1 90 ALA MB . . 4.120 2.775 2.311 3.189 . 0 0 "[ . 1 . 2]" 1
775 1 86 ALA MB 1 90 ALA MB . . 4.260 4.051 3.826 4.240 . 0 0 "[ . 1 . 2]" 1
776 1 73 ILE H 1 73 ILE MG . . 3.240 2.949 2.541 3.285 0.045 12 0 "[ . 1 . 2]" 1
777 1 71 ARG QD 1 73 ILE MG . . 4.190 3.157 2.168 4.154 . 0 0 "[ . 1 . 2]" 1
778 1 73 ILE MG 1 96 GLN HB2 . . 4.230 3.427 1.998 3.873 . 0 0 "[ . 1 . 2]" 1
779 1 73 ILE MG 1 96 GLN HB3 . . 3.910 2.327 1.975 3.344 . 0 0 "[ . 1 . 2]" 1
780 1 41 ILE MG 1 42 GLN H . . 3.430 1.816 1.780 1.848 . 0 0 "[ . 1 . 2]" 1
781 1 41 ILE HA 1 41 ILE MG . . 3.150 2.456 2.397 2.490 . 0 0 "[ . 1 . 2]" 1
782 1 41 ILE MG 1 43 GLY HA3 . . 4.130 3.994 3.913 4.115 . 0 0 "[ . 1 . 2]" 1
783 1 41 ILE H 1 41 ILE MG . . 3.810 3.693 3.679 3.711 . 0 0 "[ . 1 . 2]" 1
784 1 41 ILE MG 1 43 GLY H . . 4.080 4.107 4.048 4.148 0.068 11 0 "[ . 1 . 2]" 1
785 1 36 PHE QE 1 41 ILE MG . . 3.900 3.130 2.906 3.348 . 0 0 "[ . 1 . 2]" 1
786 1 80 SER H 1 80 SER QB . . 3.360 2.190 2.009 2.504 . 0 0 "[ . 1 . 2]" 1
787 1 80 SER QB 1 81 ASN H . . 3.940 2.304 1.997 2.513 . 0 0 "[ . 1 . 2]" 1
788 1 86 ALA MB 1 87 GLN H . . 3.270 2.270 2.025 2.563 . 0 0 "[ . 1 . 2]" 1
789 1 45 TYR QD 1 86 ALA MB . . 3.960 3.216 1.946 3.570 . 0 0 "[ . 1 . 2]" 1
790 1 45 TYR QE 1 86 ALA MB . . 4.170 3.412 1.964 3.749 . 0 0 "[ . 1 . 2]" 1
791 1 85 ALA MB 1 86 ALA MB . . 3.830 3.548 3.461 3.659 . 0 0 "[ . 1 . 2]" 1
792 1 86 ALA H 1 86 ALA MB . . 2.940 2.082 1.965 2.171 . 0 0 "[ . 1 . 2]" 1
793 1 83 LYS HA 1 86 ALA MB . . 3.340 2.704 2.511 3.157 . 0 0 "[ . 1 . 2]" 1
794 1 103 ILE MG 1 104 GLU H . . 3.510 3.445 3.172 3.566 0.056 18 0 "[ . 1 . 2]" 1
795 1 103 ILE HA 1 103 ILE MG . . 3.210 2.136 1.993 2.274 . 0 0 "[ . 1 . 2]" 1
796 1 77 GLU HB2 1 88 SER HB3 . . 4.090 2.645 1.977 3.442 . 0 0 "[ . 1 . 2]" 1
797 1 25 LEU MD2 1 88 SER HB2 . . 4.260 3.623 3.127 4.048 . 0 0 "[ . 1 . 2]" 1
798 1 77 GLU HB3 1 88 SER HB2 . . 4.110 3.468 2.887 4.094 . 0 0 "[ . 1 . 2]" 1
799 1 88 SER HB2 1 89 CYS H . . 3.970 2.849 2.329 3.440 . 0 0 "[ . 1 . 2]" 1
800 1 88 SER H 1 88 SER HB2 . . 3.720 2.230 2.023 2.824 . 0 0 "[ . 1 . 2]" 1
801 1 92 SER QB 1 93 LEU H . . 3.730 2.371 2.309 2.525 . 0 0 "[ . 1 . 2]" 1
802 1 92 SER H 1 92 SER QB . . 3.290 2.145 2.064 2.792 . 0 0 "[ . 1 . 2]" 1
803 1 13 VAL HA 1 14 ASP H . . 2.840 2.407 2.279 2.798 . 0 0 "[ . 1 . 2]" 1
804 1 88 SER HA 1 91 LEU QB . . 3.980 2.742 2.545 3.058 . 0 0 "[ . 1 . 2]" 1
805 1 95 ARG HA 1 95 ARG HG2 . . 3.850 2.779 2.281 3.297 . 0 0 "[ . 1 . 2]" 1
806 1 95 ARG HA 1 95 ARG HG3 . . 4.110 2.538 1.999 3.753 . 0 0 "[ . 1 . 2]" 1
807 1 95 ARG HA 1 98 TYR HB2 . . 4.050 3.916 3.592 4.072 0.022 9 0 "[ . 1 . 2]" 1
808 1 47 TYR QE 1 82 LYS HA . . 3.960 2.873 2.398 3.809 . 0 0 "[ . 1 . 2]" 1
809 1 82 LYS HA 1 82 LYS HG3 . . 3.860 2.886 2.610 3.132 . 0 0 "[ . 1 . 2]" 1
810 1 82 LYS HA 1 82 LYS HG2 . . 3.580 2.218 2.027 2.566 . 0 0 "[ . 1 . 2]" 1
811 1 44 GLU H 1 62 MET ME . . 3.200 3.081 2.917 3.268 0.068 16 0 "[ . 1 . 2]" 1
812 1 45 TYR QD 1 62 MET ME . . 3.400 2.738 1.907 3.005 . 0 0 "[ . 1 . 2]" 1
813 1 45 TYR QE 1 62 MET ME . . 3.250 2.613 1.902 3.012 . 0 0 "[ . 1 . 2]" 1
814 1 44 GLU HA 1 62 MET ME . . 3.240 2.832 2.576 3.115 . 0 0 "[ . 1 . 2]" 1
815 1 45 TYR HA 1 62 MET ME . . 3.370 2.886 2.567 3.390 0.020 16 0 "[ . 1 . 2]" 1
816 1 43 GLY HA2 1 62 MET ME . . 3.560 3.591 3.288 3.866 0.306 1 0 "[ . 1 . 2]" 1
817 1 43 GLY HA3 1 62 MET ME . . 3.340 2.822 2.079 3.202 . 0 0 "[ . 1 . 2]" 1
818 1 29 LYS HA 1 32 LEU HB2 . . 4.220 3.406 2.818 3.716 . 0 0 "[ . 1 . 2]" 1
819 1 50 VAL HA 1 51 GLY H . . 3.330 2.620 2.550 2.786 . 0 0 "[ . 1 . 2]" 1
820 1 29 LYS HA 1 90 ALA MB . . 2.940 1.928 1.835 2.180 . 0 0 "[ . 1 . 2]" 1
821 1 29 LYS HA 1 32 LEU MD2 . . 4.190 3.359 2.837 3.971 . 0 0 "[ . 1 . 2]" 1
822 1 73 ILE MD 1 93 LEU HA . . 3.770 2.200 1.933 3.025 . 0 0 "[ . 1 . 2]" 1
823 1 73 ILE MD 1 96 GLN HB2 . . 3.740 2.184 1.948 2.569 . 0 0 "[ . 1 . 2]" 1
824 1 73 ILE MD 1 96 GLN HB3 . . 3.630 2.273 1.956 3.844 0.214 12 0 "[ . 1 . 2]" 1
825 1 73 ILE MD 1 97 LEU HG . . 3.420 1.997 1.857 2.177 . 0 0 "[ . 1 . 2]" 1
826 1 73 ILE H 1 73 ILE MD . . 3.810 3.797 3.648 3.874 0.064 14 0 "[ . 1 . 2]" 1
827 1 73 ILE MD 1 97 LEU MD1 . . 3.600 2.940 2.788 3.067 . 0 0 "[ . 1 . 2]" 1
828 1 73 ILE MD 1 73 ILE MG . . 3.330 2.169 1.855 2.393 . 0 0 "[ . 1 . 2]" 1
829 1 96 GLN HA 1 96 GLN HG3 . . 3.900 2.405 2.023 3.975 0.075 12 0 "[ . 1 . 2]" 1
830 1 96 GLN HA 1 96 GLN HG2 . . 3.460 2.886 2.180 3.537 0.077 12 0 "[ . 1 . 2]" 1
831 1 41 ILE H 1 41 ILE MD . . 3.890 3.215 2.943 3.451 . 0 0 "[ . 1 . 2]" 1
832 1 36 PHE QD 1 41 ILE MD . . 3.450 2.981 2.835 3.256 . 0 0 "[ . 1 . 2]" 1
833 1 35 TYR QD 1 41 ILE MD . . 3.730 3.647 3.423 3.744 0.014 17 0 "[ . 1 . 2]" 1
834 1 35 TYR QE 1 41 ILE MD . . 3.240 2.720 2.484 2.910 . 0 0 "[ . 1 . 2]" 1
835 1 36 PHE HA 1 41 ILE MD . . 3.460 3.163 2.960 3.394 . 0 0 "[ . 1 . 2]" 1
836 1 39 GLU HB3 1 41 ILE MD . . 3.510 1.940 1.882 1.994 . 0 0 "[ . 1 . 2]" 1
837 1 41 ILE HB 1 41 ILE MD . . 3.220 2.183 2.092 2.258 . 0 0 "[ . 1 . 2]" 1
838 1 98 TYR H 1 103 ILE MD . . 3.870 2.391 1.900 2.567 . 0 0 "[ . 1 . 2]" 1
839 1 97 LEU H 1 103 ILE MD . . 4.260 3.801 3.531 4.244 . 0 0 "[ . 1 . 2]" 1
840 1 103 ILE H 1 103 ILE MD . . 4.130 3.564 2.705 3.811 . 0 0 "[ . 1 . 2]" 1
841 1 103 ILE HA 1 103 ILE MD . . 4.150 4.105 3.945 4.140 . 0 0 "[ . 1 . 2]" 1
842 1 94 VAL HA 1 103 ILE MD . . 3.510 2.366 2.089 3.031 . 0 0 "[ . 1 . 2]" 1
843 1 97 LEU HB2 1 103 ILE MD . . 3.490 2.152 1.750 2.807 . 0 0 "[ . 1 . 2]" 1
844 1 103 ILE HB 1 103 ILE MD . . 3.220 2.304 2.143 2.843 . 0 0 "[ . 1 . 2]" 1
845 1 103 ILE MD 1 103 ILE MG . . 2.780 2.097 1.684 2.308 . 0 0 "[ . 1 . 2]" 1
846 1 94 VAL QG 1 103 ILE MD . . 2.900 1.808 1.694 2.004 . 0 0 "[ . 1 . 2]" 1
847 1 41 ILE HA 1 42 GLN H . . 2.900 2.483 2.466 2.509 . 0 0 "[ . 1 . 2]" 1
848 1 41 ILE HA 1 41 ILE HG13 . . 3.660 2.661 2.604 2.742 . 0 0 "[ . 1 . 2]" 1
849 1 29 LYS HB2 1 87 GLN HA . . 4.260 2.616 2.025 3.686 . 0 0 "[ . 1 . 2]" 1
850 1 103 ILE HA 1 104 GLU H . . 3.370 2.672 2.451 3.465 0.095 18 0 "[ . 1 . 2]" 1
851 1 86 ALA MB 1 87 GLN HA . . 4.110 3.661 3.533 3.752 . 0 0 "[ . 1 . 2]" 1
852 1 83 LYS HA 1 83 LYS HG3 . . 3.740 2.560 1.937 3.717 . 0 0 "[ . 1 . 2]" 1
853 1 106 TYR HA 1 107 SER H . . 3.060 2.667 2.201 3.087 0.027 9 0 "[ . 1 . 2]" 1
854 1 106 TYR HA 1 106 TYR QD . . 3.430 2.013 1.774 2.423 . 0 0 "[ . 1 . 2]" 1
855 1 66 ILE H 1 66 ILE MD . . 4.040 3.354 3.189 3.493 . 0 0 "[ . 1 . 2]" 1
856 1 65 TYR HA 1 66 ILE MD . . 4.270 3.786 3.663 3.971 . 0 0 "[ . 1 . 2]" 1
857 1 66 ILE HA 1 66 ILE MD . . 3.310 1.986 1.941 2.085 . 0 0 "[ . 1 . 2]" 1
858 1 66 ILE HB 1 66 ILE MD . . 3.380 3.201 3.199 3.207 . 0 0 "[ . 1 . 2]" 1
859 1 66 ILE MD 1 97 LEU MD1 . . 3.720 3.478 3.063 3.654 . 0 0 "[ . 1 . 2]" 1
860 1 68 GLN HA 1 68 GLN QG . . 3.230 3.267 2.649 3.333 0.103 13 0 "[ . 1 . 2]" 1
861 1 45 TYR HA 1 46 LYS H . . 3.200 2.231 2.189 2.384 . 0 0 "[ . 1 . 2]" 1
862 1 45 TYR HA 1 62 MET HB2 . . 4.350 2.534 2.152 2.781 . 0 0 "[ . 1 . 2]" 1
863 1 26 GLU HA 1 26 GLU HG2 . . 3.390 2.166 1.975 2.477 . 0 0 "[ . 1 . 2]" 1
864 1 36 PHE HA 1 36 PHE QD . . 3.310 1.934 1.887 1.966 . 0 0 "[ . 1 . 2]" 1
865 1 36 PHE HA 1 39 GLU HB2 . . 3.900 3.358 2.888 3.721 . 0 0 "[ . 1 . 2]" 1
866 1 66 ILE HA 1 67 LYS H . . 3.120 2.178 2.176 2.186 . 0 0 "[ . 1 . 2]" 1
867 1 66 ILE HA 1 66 ILE QG . . 3.770 3.079 3.029 3.104 . 0 0 "[ . 1 . 2]" 1
868 1 75 ALA MB 1 93 LEU HA . . 4.260 3.755 3.538 3.906 . 0 0 "[ . 1 . 2]" 1
869 1 25 LEU HA 1 25 LEU HG . . 3.310 2.526 2.318 2.850 . 0 0 "[ . 1 . 2]" 1
870 1 97 LEU HA 1 100 LEU H . . 4.260 3.835 3.461 4.091 . 0 0 "[ . 1 . 2]" 1
871 1 97 LEU HA 1 97 LEU HG . . 3.940 2.777 2.660 2.933 . 0 0 "[ . 1 . 2]" 1
872 1 91 LEU HA 1 94 VAL H . . 4.230 3.316 3.197 3.513 . 0 0 "[ . 1 . 2]" 1
873 1 91 LEU HA 1 94 VAL HB . . 3.890 2.132 1.989 2.267 . 0 0 "[ . 1 . 2]" 1
874 1 53 ASP HA 1 56 ARG HD3 . . 3.930 3.526 2.500 3.961 0.031 15 0 "[ . 1 . 2]" 1
875 1 53 ASP HA 1 56 ARG QG . . 3.700 2.557 1.824 3.409 . 0 0 "[ . 1 . 2]" 1
876 1 84 LEU HA 1 87 GLN HB2 . . 3.630 2.480 2.036 2.779 . 0 0 "[ . 1 . 2]" 1
877 1 40 LYS HA 1 41 ILE H . . 3.340 3.060 2.982 3.176 . 0 0 "[ . 1 . 2]" 1
878 1 32 LEU HA 1 35 TYR H . . 4.070 3.322 3.110 3.463 . 0 0 "[ . 1 . 2]" 1
879 1 32 LEU HA 1 35 TYR HB3 . . 3.900 2.598 2.193 2.731 . 0 0 "[ . 1 . 2]" 1
880 1 32 LEU HA 1 35 TYR HB2 . . 4.140 3.388 3.089 3.537 . 0 0 "[ . 1 . 2]" 1
881 1 32 LEU HA 1 32 LEU HG . . 3.680 3.021 2.894 3.129 . 0 0 "[ . 1 . 2]" 1
882 1 11 GLU HA 1 12 GLU H . . 2.820 2.415 2.202 2.766 . 0 0 "[ . 1 . 2]" 1
883 1 12 GLU HA 1 13 VAL H . . 2.820 2.408 2.202 3.121 0.301 10 0 "[ . 1 . 2]" 1
884 1 33 ASN HA 1 36 PHE QD . . 3.970 2.569 2.081 3.343 . 0 0 "[ . 1 . 2]" 1
885 1 33 ASN HA 1 36 PHE HB2 . . 3.840 2.713 2.661 2.784 . 0 0 "[ . 1 . 2]" 1
886 1 39 GLU HA 1 39 GLU HG2 . . 3.840 2.399 2.067 3.673 . 0 0 "[ . 1 . 2]" 1
887 1 79 GLY HA3 1 85 ALA HA . . 3.980 2.115 1.987 2.556 . 0 0 "[ . 1 . 2]" 1
888 1 100 LEU HA 1 100 LEU HG . . 3.690 2.743 2.575 3.726 0.036 1 0 "[ . 1 . 2]" 1
889 1 86 ALA HA 1 89 CYS H . . 4.160 3.490 3.195 3.720 . 0 0 "[ . 1 . 2]" 1
890 1 86 ALA HA 1 89 CYS HB3 . . 3.660 3.016 2.696 3.170 . 0 0 "[ . 1 . 2]" 1
891 1 86 ALA HA 1 89 CYS HB2 . . 3.900 2.912 2.687 3.237 . 0 0 "[ . 1 . 2]" 1
892 1 90 ALA HA 1 93 LEU H . . 4.220 3.339 3.229 3.542 . 0 0 "[ . 1 . 2]" 1
893 1 90 ALA HA 1 93 LEU HB2 . . 4.020 3.181 3.127 3.239 . 0 0 "[ . 1 . 2]" 1
894 1 32 LEU MD2 1 90 ALA HA . . 3.110 2.002 1.789 2.401 . 0 0 "[ . 1 . 2]" 1
895 1 17 ALA HA 1 20 HIS QB . . 4.220 2.888 2.270 4.145 . 0 0 "[ . 1 . 2]" 1
896 1 30 ALA HA 1 33 ASN H . . 4.000 3.545 3.422 3.881 . 0 0 "[ . 1 . 2]" 1
897 1 30 ALA HA 1 33 ASN QB . . 3.410 2.742 2.512 2.956 . 0 0 "[ . 1 . 2]" 1
898 1 42 GLN HA 1 43 GLY H . . 2.830 2.226 2.214 2.240 . 0 0 "[ . 1 . 2]" 1
899 1 23 TRP HE1 1 105 ALA HA . . 3.510 2.363 2.021 2.656 . 0 0 "[ . 1 . 2]" 1
900 1 105 ALA HA 1 106 TYR H . . 3.330 2.252 2.187 2.374 . 0 0 "[ . 1 . 2]" 1
901 1 21 GLY HA2 1 105 ALA HA . . 4.250 3.261 2.925 3.554 . 0 0 "[ . 1 . 2]" 1
902 1 75 ALA HA 1 76 ARG H . . 3.590 2.389 2.319 2.442 . 0 0 "[ . 1 . 2]" 1
903 1 109 GLY HA2 1 110 PRO QD . . 2.790 2.134 1.854 2.766 . 0 0 "[ . 1 . 2]" 1
904 1 51 GLY HA2 1 52 PRO HD2 . . 3.870 3.029 2.978 3.082 . 0 0 "[ . 1 . 2]" 1
905 1 52 PRO HD2 1 55 ASN QB . . 4.220 2.984 2.943 3.069 . 0 0 "[ . 1 . 2]" 1
906 1 51 GLY HA2 1 52 PRO HD3 . . 3.570 2.218 2.177 2.262 . 0 0 "[ . 1 . 2]" 1
907 1 51 GLY HA3 1 52 PRO HD3 . . 3.480 2.844 2.790 2.897 . 0 0 "[ . 1 . 2]" 1
908 1 51 GLY H 1 52 PRO HD3 . . 4.650 4.450 4.402 4.496 . 0 0 "[ . 1 . 2]" 1
909 1 47 TYR QB 1 60 ALA HA . . 4.970 4.072 4.015 4.259 . 0 0 "[ . 1 . 2]" 1
910 1 23 TRP HD1 1 105 ALA HA . . 4.470 3.488 3.294 3.862 . 0 0 "[ . 1 . 2]" 1
911 1 23 TRP HZ2 1 105 ALA HA . . 5.010 4.107 3.284 4.394 . 0 0 "[ . 1 . 2]" 1
912 1 105 ALA HA 1 106 TYR HB3 . . 4.990 4.815 4.708 4.962 . 0 0 "[ . 1 . 2]" 1
913 1 32 LEU MD1 1 90 ALA HA . . 4.660 3.738 3.499 3.946 . 0 0 "[ . 1 . 2]" 1
914 1 32 LEU HB2 1 90 ALA HA . . 4.280 3.918 3.588 4.299 0.019 8 0 "[ . 1 . 2]" 1
915 1 90 ALA HA 1 93 LEU HG . . 4.750 4.505 4.315 4.760 0.010 16 0 "[ . 1 . 2]" 1
916 1 45 TYR QD 1 86 ALA HA . . 4.270 2.632 1.993 3.034 . 0 0 "[ . 1 . 2]" 1
917 1 86 ALA HA 1 90 ALA H . . 4.310 3.886 3.604 4.137 . 0 0 "[ . 1 . 2]" 1
918 1 79 GLY HA2 1 85 ALA HA . . 4.410 3.502 3.212 3.861 . 0 0 "[ . 1 . 2]" 1
919 1 72 ARG HA 1 73 ILE HG13 . . 4.810 4.868 4.349 5.313 0.503 11 1 "[ . 1+ . 2]" 1
920 1 65 TYR HB2 1 72 ARG HA . . 5.030 4.083 4.006 4.106 . 0 0 "[ . 1 . 2]" 1
921 1 78 HIS HA 1 78 HIS HD2 . . 5.110 4.076 2.465 4.903 . 0 0 "[ . 1 . 2]" 1
922 1 76 ARG HA 1 77 GLU HB2 . . 4.890 4.708 4.593 4.899 0.009 16 0 "[ . 1 . 2]" 1
923 1 74 PHE HA 1 75 ALA MB . . 4.540 3.824 3.793 3.861 . 0 0 "[ . 1 . 2]" 1
924 1 64 ILE H 1 74 PHE HA . . 4.270 3.406 3.299 3.498 . 0 0 "[ . 1 . 2]" 1
925 1 33 ASN HA 1 36 PHE H . . 4.330 3.410 3.264 3.534 . 0 0 "[ . 1 . 2]" 1
926 1 49 GLN HA 1 50 VAL H . . 3.310 2.228 2.202 2.269 . 0 0 "[ . 1 . 2]" 1
927 1 32 LEU HA 1 36 PHE H . . 4.650 4.423 4.087 4.538 . 0 0 "[ . 1 . 2]" 1
928 1 32 LEU HA 1 35 TYR QD . . 4.660 3.879 3.427 4.110 . 0 0 "[ . 1 . 2]" 1
929 1 58 PHE HA 1 59 ILE HG13 . . 4.870 4.478 4.208 4.664 . 0 0 "[ . 1 . 2]" 1
930 1 58 PHE HA 1 59 ILE HB . . 5.140 4.333 4.298 4.384 . 0 0 "[ . 1 . 2]" 1
931 1 62 MET HB2 1 62 MET ME . . 3.010 2.613 2.287 2.974 . 0 0 "[ . 1 . 2]" 1
932 1 35 TYR HA 1 38 LYS H . . 4.490 3.526 3.432 3.736 . 0 0 "[ . 1 . 2]" 1
933 1 41 ILE MG 1 43 GLY HA2 . . 4.920 4.530 4.396 4.646 . 0 0 "[ . 1 . 2]" 1
934 1 66 ILE HB 1 69 LEU HB2 . . 4.340 2.180 1.999 3.096 . 0 0 "[ . 1 . 2]" 1
935 1 69 LEU HB3 1 71 ARG QD . . 4.950 3.679 2.920 4.941 . 0 0 "[ . 1 . 2]" 1
936 1 91 LEU QB 1 95 ARG QD . . 4.750 4.048 1.864 5.216 0.466 3 0 "[ . 1 . 2]" 1
937 1 91 LEU HG 1 95 ARG QD . . 4.380 2.525 1.779 3.543 . 0 0 "[ . 1 . 2]" 1
938 1 63 THR MG 1 74 PHE HB3 . . 4.460 3.348 3.188 3.847 . 0 0 "[ . 1 . 2]" 1
939 1 72 ARG HA 1 72 ARG QD . . 4.540 4.133 4.100 4.241 . 0 0 "[ . 1 . 2]" 1
940 1 63 THR HA 1 74 PHE HB2 . . 4.610 3.831 3.781 3.906 . 0 0 "[ . 1 . 2]" 1
941 1 97 LEU HA 1 100 LEU HB3 . . 4.400 4.481 4.279 4.820 0.420 9 0 "[ . 1 . 2]" 1
942 1 69 LEU MD1 1 100 LEU HB3 . . 3.760 1.935 1.783 2.135 . 0 0 "[ . 1 . 2]" 1
943 1 97 LEU HA 1 100 LEU HB2 . . 4.810 2.949 2.680 3.240 . 0 0 "[ . 1 . 2]" 1
944 1 75 ALA MB 1 93 LEU HB2 . . 4.640 4.361 4.228 4.433 . 0 0 "[ . 1 . 2]" 1
945 1 90 ALA HA 1 93 LEU HB3 . . 4.850 4.883 4.824 4.932 0.082 19 0 "[ . 1 . 2]" 1
946 1 24 THR HA 1 25 LEU HB2 . . 4.270 4.503 4.372 4.583 0.313 15 0 "[ . 1 . 2]" 1
947 1 97 LEU MD2 1 100 LEU HB3 . . 5.030 5.119 4.728 5.462 0.432 9 0 "[ . 1 . 2]" 1
948 1 97 LEU HB2 1 103 ILE HG12 . . 4.810 2.506 2.099 3.635 . 0 0 "[ . 1 . 2]" 1
949 1 46 LYS HA 1 47 TYR QB . . 4.350 4.314 4.192 4.376 0.026 9 0 "[ . 1 . 2]" 1
950 1 97 LEU HB3 1 103 ILE MD . . 4.590 3.017 1.903 3.603 . 0 0 "[ . 1 . 2]" 1
951 1 97 LEU HB3 1 103 ILE HG12 . . 4.650 2.224 1.982 3.465 . 0 0 "[ . 1 . 2]" 1
952 1 97 LEU HB3 1 102 VAL HB . . 4.510 2.228 1.970 3.923 . 0 0 "[ . 1 . 2]" 1
953 1 13 VAL HA 1 14 ASP QB . . 4.850 4.226 3.789 4.582 . 0 0 "[ . 1 . 2]" 1
954 1 14 ASP QB 1 15 LEU QD . . 4.420 4.638 3.906 5.465 1.045 3 4 "[ +-.* * 1 . 2]" 1
955 1 32 LEU HB3 1 90 ALA MB . . 4.440 3.050 2.847 3.363 . 0 0 "[ . 1 . 2]" 1
956 1 45 TYR HB3 1 62 MET ME . . 4.700 4.249 3.994 4.810 0.110 16 0 "[ . 1 . 2]" 1
957 1 52 PRO HG2 1 55 ASN QB . . 4.610 2.785 2.700 2.823 . 0 0 "[ . 1 . 2]" 1
958 1 62 MET HB2 1 93 LEU MD2 . . 3.890 3.629 3.446 3.915 0.025 19 0 "[ . 1 . 2]" 1
959 1 62 MET HB3 1 62 MET ME . . 3.910 3.572 3.143 3.849 . 0 0 "[ . 1 . 2]" 1
960 1 61 GLU HG2 1 76 ARG HG3 . . 4.840 4.267 3.300 4.428 . 0 0 "[ . 1 . 2]" 1
961 1 46 LYS QB 1 61 GLU HG3 . . 4.010 2.297 1.986 2.517 . 0 0 "[ . 1 . 2]" 1
962 1 46 LYS QB 1 61 GLU HG2 . . 4.020 2.034 1.893 2.998 . 0 0 "[ . 1 . 2]" 1
963 1 61 GLU HG3 1 76 ARG HA . . 5.090 4.951 4.772 5.101 0.011 17 0 "[ . 1 . 2]" 1
964 1 61 GLU HG2 1 76 ARG HA . . 5.260 4.757 4.537 4.951 . 0 0 "[ . 1 . 2]" 1
965 1 61 GLU HG3 1 62 MET H . . 4.820 4.165 3.902 4.556 . 0 0 "[ . 1 . 2]" 1
966 1 61 GLU HG2 1 62 MET H . . 4.770 4.784 4.669 4.870 0.100 6 0 "[ . 1 . 2]" 1
967 1 61 GLU H 1 61 GLU HG2 . . 4.380 2.069 1.935 3.591 . 0 0 "[ . 1 . 2]" 1
968 1 96 GLN H 1 96 GLN HG3 . . 4.440 3.165 2.763 3.726 . 0 0 "[ . 1 . 2]" 1
969 1 96 GLN H 1 96 GLN HG2 . . 4.520 3.966 1.875 4.270 . 0 0 "[ . 1 . 2]" 1
970 1 84 LEU HA 1 87 GLN QG . . 4.540 3.922 2.327 4.386 . 0 0 "[ . 1 . 2]" 1
971 1 77 GLU HB2 1 89 CYS HA . . 4.650 3.714 3.523 4.179 . 0 0 "[ . 1 . 2]" 1
972 1 49 GLN HG3 1 50 VAL H . . 4.400 3.971 2.927 4.363 . 0 0 "[ . 1 . 2]" 1
973 1 49 GLN HG2 1 50 VAL H . . 4.470 2.535 2.237 2.924 . 0 0 "[ . 1 . 2]" 1
974 1 49 GLN H 1 49 GLN HG3 . . 4.790 4.566 4.352 4.655 . 0 0 "[ . 1 . 2]" 1
975 1 49 GLN H 1 49 GLN HG2 . . 4.390 4.376 4.322 4.437 0.047 8 0 "[ . 1 . 2]" 1
976 1 77 GLU HB3 1 78 HIS H . . 4.380 2.242 1.950 2.994 . 0 0 "[ . 1 . 2]" 1
977 1 77 GLU HB2 1 78 HIS H . . 4.660 3.506 3.244 3.983 . 0 0 "[ . 1 . 2]" 1
978 1 77 GLU HB3 1 89 CYS H . . 4.900 4.797 4.480 4.925 0.025 20 0 "[ . 1 . 2]" 1
979 1 77 GLU HB2 1 89 CYS H . . 5.140 3.439 3.258 3.683 . 0 0 "[ . 1 . 2]" 1
980 1 76 ARG H 1 77 GLU HG2 . . 5.010 3.020 2.790 3.181 . 0 0 "[ . 1 . 2]" 1
981 1 61 GLU HB2 1 62 MET H . . 4.480 3.029 2.732 3.220 . 0 0 "[ . 1 . 2]" 1
982 1 104 GLU QG 1 105 ALA H . . 4.370 3.678 1.812 4.130 . 0 0 "[ . 1 . 2]" 1
983 1 31 ARG HA 1 34 GLN HG3 . . 4.790 3.357 3.043 3.743 . 0 0 "[ . 1 . 2]" 1
984 1 34 GLN HA 1 34 GLN HG2 . . 3.590 2.149 1.989 2.366 . 0 0 "[ . 1 . 2]" 1
985 1 59 ILE MG 1 76 ARG QB . . 4.750 3.770 3.641 3.885 . 0 0 "[ . 1 . 2]" 1
986 1 97 LEU MD1 1 102 VAL HB . . 4.690 4.070 3.890 4.849 0.159 14 0 "[ . 1 . 2]" 1
987 1 65 TYR HA 1 72 ARG HB3 . . 5.140 1.956 1.929 1.971 . 0 0 "[ . 1 . 2]" 1
988 1 65 TYR HA 1 72 ARG HB2 . . 4.950 2.576 2.499 2.796 . 0 0 "[ . 1 . 2]" 1
989 1 53 ASP HA 1 56 ARG QB . . 4.370 2.809 2.483 3.760 . 0 0 "[ . 1 . 2]" 1
990 1 48 THR HA 1 49 GLN QB . . 4.370 4.066 4.020 4.092 . 0 0 "[ . 1 . 2]" 1
991 1 29 LYS QD 1 87 GLN QG . . 4.030 2.274 1.836 3.535 . 0 0 "[ . 1 . 2]" 1
992 1 38 LYS HA 1 38 LYS HD3 . . 3.900 2.811 2.078 3.901 0.001 8 0 "[ . 1 . 2]" 1
993 1 65 TYR HB2 1 72 ARG HG2 . . 4.680 3.801 3.644 3.856 . 0 0 "[ . 1 . 2]" 1
994 1 63 THR MG 1 72 ARG HG3 . . 4.400 4.734 4.633 4.815 0.415 15 0 "[ . 1 . 2]" 1
995 1 63 THR MG 1 72 ARG HG2 . . 4.710 4.740 4.613 4.783 0.073 19 0 "[ . 1 . 2]" 1
996 1 93 LEU MD2 1 97 LEU MD1 . . 4.740 4.661 4.359 4.756 0.016 14 0 "[ . 1 . 2]" 1
997 1 47 TYR QB 1 82 LYS HD3 . . 5.290 4.145 2.872 4.904 . 0 0 "[ . 1 . 2]" 1
998 1 82 LYS HA 1 82 LYS HD3 . . 5.140 4.158 3.801 4.475 . 0 0 "[ . 1 . 2]" 1
999 1 47 TYR QB 1 82 LYS HD2 . . 5.320 4.903 4.405 5.291 . 0 0 "[ . 1 . 2]" 1
1000 1 47 TYR QD 1 82 LYS HD2 . . 4.900 4.646 3.620 5.267 0.367 7 0 "[ . 1 . 2]" 1
1001 1 82 LYS H 1 82 LYS HD2 . . 5.180 4.296 3.659 4.735 . 0 0 "[ . 1 . 2]" 1
1002 1 82 LYS H 1 82 LYS HD3 . . 4.990 4.858 4.577 5.189 0.199 10 0 "[ . 1 . 2]" 1
1003 1 31 ARG HB3 1 32 LEU H . . 4.620 2.315 2.095 2.993 . 0 0 "[ . 1 . 2]" 1
1004 1 38 LYS H 1 38 LYS HD3 . . 4.740 4.550 2.319 5.458 0.718 15 1 "[ . 1 + 2]" 1
1005 1 83 LYS H 1 83 LYS QD . . 4.600 3.454 2.408 4.407 . 0 0 "[ . 1 . 2]" 1
1006 1 29 LYS QD 1 87 GLN H . . 4.790 3.605 2.987 4.599 . 0 0 "[ . 1 . 2]" 1
1007 1 29 LYS H 1 29 LYS QD . . 4.480 4.396 4.170 4.577 0.097 18 0 "[ . 1 . 2]" 1
1008 1 29 LYS QD 1 30 ALA H . . 4.950 4.302 3.886 4.561 . 0 0 "[ . 1 . 2]" 1
1009 1 95 ARG H 1 95 ARG HG2 . . 4.950 3.733 2.149 4.485 . 0 0 "[ . 1 . 2]" 1
1010 1 23 TRP HB2 1 24 THR H . . 5.140 4.574 4.206 4.643 . 0 0 "[ . 1 . 2]" 1
1011 1 23 TRP HB3 1 24 THR H . . 4.780 3.882 3.044 4.223 . 0 0 "[ . 1 . 2]" 1
1012 1 54 HIS HB3 1 55 ASN H . . 5.210 3.751 3.554 4.044 . 0 0 "[ . 1 . 2]" 1
1013 1 54 HIS HB2 1 55 ASN H . . 4.750 4.138 4.059 4.261 . 0 0 "[ . 1 . 2]" 1
1014 1 69 LEU HA 1 69 LEU HG . . 4.020 3.371 3.258 3.492 . 0 0 "[ . 1 . 2]" 1
1015 1 77 GLU HB2 1 89 CYS HB2 . . 4.520 3.778 3.596 4.035 . 0 0 "[ . 1 . 2]" 1
1016 1 75 ALA MB 1 89 CYS HB3 . . 4.700 4.093 3.914 4.292 . 0 0 "[ . 1 . 2]" 1
1017 1 41 ILE HA 1 41 ILE HG12 . . 3.750 2.725 2.623 2.855 . 0 0 "[ . 1 . 2]" 1
1018 1 39 GLU HB3 1 41 ILE HG13 . . 4.450 2.065 1.985 2.245 . 0 0 "[ . 1 . 2]" 1
1019 1 64 ILE HG12 1 93 LEU MD1 . . 4.190 2.985 2.793 3.125 . 0 0 "[ . 1 . 2]" 1
1020 1 97 LEU MD1 1 103 ILE HG12 . . 4.890 3.576 3.192 4.590 . 0 0 "[ . 1 . 2]" 1
1021 1 86 ALA MB 1 89 CYS HB2 . . 5.320 4.494 4.319 4.764 . 0 0 "[ . 1 . 2]" 1
1022 1 41 ILE H 1 41 ILE HG12 . . 3.910 3.822 3.644 3.886 . 0 0 "[ . 1 . 2]" 1
1023 1 25 LEU HG 1 26 GLU H . . 4.580 4.864 4.784 5.001 0.421 11 0 "[ . 1 . 2]" 1
1024 1 24 THR HA 1 25 LEU HG . . 4.600 4.570 4.354 4.710 0.110 8 0 "[ . 1 . 2]" 1
1025 1 52 PRO HG2 1 55 ASN H . . 4.610 2.958 2.761 3.082 . 0 0 "[ . 1 . 2]" 1
1026 1 51 GLY HA3 1 52 PRO HG2 . . 4.600 4.739 4.697 4.780 0.180 13 0 "[ . 1 . 2]" 1
1027 1 65 TYR HA 1 66 ILE QG . . 4.580 3.368 3.201 3.497 . 0 0 "[ . 1 . 2]" 1
1028 1 98 TYR HA 1 103 ILE HG13 . . 4.520 2.117 1.967 3.106 . 0 0 "[ . 1 . 2]" 1
1029 1 66 ILE QG 1 97 LEU MD1 . . 5.180 4.514 4.178 4.795 . 0 0 "[ . 1 . 2]" 1
1030 1 69 LEU MD1 1 71 ARG QG . . 3.200 2.949 2.650 3.128 . 0 0 "[ . 1 . 2]" 1
1031 1 69 LEU HB3 1 69 LEU MD1 . . 3.060 2.171 2.071 2.454 . 0 0 "[ . 1 . 2]" 1
1032 1 66 ILE HB 1 69 LEU MD1 . . 4.010 3.023 2.398 3.349 . 0 0 "[ . 1 . 2]" 1
1033 1 98 TYR HA 1 103 ILE HG12 . . 4.590 2.721 1.956 3.165 . 0 0 "[ . 1 . 2]" 1
1034 1 47 TYR QB 1 82 LYS HG2 . . 5.160 3.055 2.429 3.333 . 0 0 "[ . 1 . 2]" 1
1035 1 82 LYS H 1 82 LYS HG3 . . 4.300 2.545 1.978 2.833 . 0 0 "[ . 1 . 2]" 1
1036 1 82 LYS H 1 82 LYS HG2 . . 4.790 3.502 3.317 3.742 . 0 0 "[ . 1 . 2]" 1
1037 1 71 ARG HE 1 100 LEU QD . . 4.400 2.241 1.721 3.804 . 0 0 "[ . 1 . 2]" 1
1038 1 73 ILE H 1 73 ILE HG13 . . 4.010 2.632 2.228 2.990 . 0 0 "[ . 1 . 2]" 1
1039 1 64 ILE H 1 73 ILE HG13 . . 4.900 3.105 2.857 3.200 . 0 0 "[ . 1 . 2]" 1
1040 1 46 LYS H 1 46 LYS HG3 . . 4.710 4.424 4.037 4.747 0.037 2 0 "[ . 1 . 2]" 1
1041 1 46 LYS HG3 1 47 TYR H . . 4.280 3.892 2.910 5.036 0.756 15 6 "[ * . * * + - *2]" 1
1042 1 83 LYS H 1 83 LYS HG2 . . 4.700 4.042 1.997 4.534 . 0 0 "[ . 1 . 2]" 1
1043 1 29 LYS H 1 29 LYS QG . . 4.450 3.748 3.212 3.956 . 0 0 "[ . 1 . 2]" 1
1044 1 63 THR HB 1 74 PHE HA . . 4.520 4.367 4.218 4.509 . 0 0 "[ . 1 . 2]" 1
1045 1 65 TYR QE 1 67 LYS HG2 . . 4.320 4.357 4.332 4.377 0.057 18 0 "[ . 1 . 2]" 1
1046 1 32 LEU HB3 1 32 LEU MD2 . . 3.430 2.296 2.164 2.355 . 0 0 "[ . 1 . 2]" 1
1047 1 69 LEU MD1 1 71 ARG QD . . 4.050 3.154 2.509 3.711 . 0 0 "[ . 1 . 2]" 1
1048 1 69 LEU HA 1 69 LEU MD1 . . 4.050 3.700 3.630 3.991 . 0 0 "[ . 1 . 2]" 1
1049 1 69 LEU MD1 1 100 LEU HA . . 4.560 4.002 3.762 4.189 . 0 0 "[ . 1 . 2]" 1
1050 1 75 ALA MB 1 77 GLU HG2 . . 4.490 3.790 3.369 4.030 . 0 0 "[ . 1 . 2]" 1
1051 1 75 ALA MB 1 93 LEU MD2 . . 3.550 1.768 1.712 1.815 . 0 0 "[ . 1 . 2]" 1
1052 1 93 LEU HB3 1 97 LEU MD1 . . 4.580 2.665 2.245 2.779 . 0 0 "[ . 1 . 2]" 1
1053 1 97 LEU MD1 1 103 ILE HG13 . . 4.700 4.851 4.679 4.951 0.251 12 0 "[ . 1 . 2]" 1
1054 1 35 TYR HB2 1 97 LEU MD1 . . 5.140 4.338 4.171 4.551 . 0 0 "[ . 1 . 2]" 1
1055 1 28 ALA HA 1 91 LEU QD . . 4.480 3.951 3.545 4.263 . 0 0 "[ . 1 . 2]" 1
1056 1 94 VAL HA 1 97 LEU MD2 . . 4.620 4.596 4.407 4.656 0.036 17 0 "[ . 1 . 2]" 1
1057 1 93 LEU HB3 1 93 LEU MD1 . . 3.220 2.538 2.450 2.600 . 0 0 "[ . 1 . 2]" 1
1058 1 93 LEU MD1 1 97 LEU MD1 . . 4.410 4.401 4.094 4.457 0.047 14 0 "[ . 1 . 2]" 1
1059 1 93 LEU MD1 1 96 GLN HB2 . . 4.510 3.732 3.525 4.804 0.294 12 0 "[ . 1 . 2]" 1
1060 1 92 SER QB 1 93 LEU MD1 . . 4.790 2.810 2.623 2.965 . 0 0 "[ . 1 . 2]" 1
1061 1 75 ALA HA 1 93 LEU MD1 . . 4.520 3.513 3.420 3.590 . 0 0 "[ . 1 . 2]" 1
1062 1 97 LEU MD2 1 102 VAL QG . . 3.030 1.822 1.627 2.043 . 0 0 "[ . 1 . 2]" 1
1063 1 97 LEU HA 1 102 VAL QG . . 3.830 2.644 1.915 3.181 . 0 0 "[ . 1 . 2]" 1
1064 1 100 LEU HB3 1 102 VAL QG . . 3.610 3.050 2.858 3.274 . 0 0 "[ . 1 . 2]" 1
1065 1 100 LEU HB2 1 102 VAL QG . . 3.570 2.776 2.305 3.147 . 0 0 "[ . 1 . 2]" 1
1066 1 60 ALA MB 1 85 ALA MB . . 3.060 1.734 1.654 1.851 . 0 0 "[ . 1 . 2]" 1
1067 1 45 TYR HB3 1 60 ALA MB . . 3.930 2.993 2.544 3.108 . 0 0 "[ . 1 . 2]" 1
1068 1 45 TYR HB2 1 60 ALA MB . . 4.410 4.325 3.883 4.456 0.046 13 0 "[ . 1 . 2]" 1
1069 1 60 ALA MB 1 85 ALA HA . . 4.290 3.150 2.986 3.409 . 0 0 "[ . 1 . 2]" 1
1070 1 45 TYR HA 1 60 ALA MB . . 4.940 4.709 4.201 4.870 . 0 0 "[ . 1 . 2]" 1
1071 1 48 THR MG 1 49 GLN HA . . 4.370 4.242 4.119 4.354 . 0 0 "[ . 1 . 2]" 1
1072 1 63 THR MG 1 72 ARG QD . . 3.280 2.379 2.279 2.439 . 0 0 "[ . 1 . 2]" 1
1073 1 94 VAL QG 1 95 ARG HG3 . . 4.850 4.160 3.374 5.022 0.172 12 0 "[ . 1 . 2]" 1
1074 1 94 VAL QG 1 95 ARG HA . . 4.660 3.386 3.065 3.596 . 0 0 "[ . 1 . 2]" 1
1075 1 104 GLU QG 1 105 ALA MB . . 4.640 4.336 2.502 4.684 0.044 14 0 "[ . 1 . 2]" 1
1076 1 22 ASN HB2 1 105 ALA MB . . 5.190 4.608 4.002 5.296 0.106 6 0 "[ . 1 . 2]" 1
1077 1 105 ALA MB 1 106 TYR HB2 . . 4.750 4.751 4.562 4.888 0.138 2 0 "[ . 1 . 2]" 1
1078 1 32 LEU HA 1 94 VAL QG . . 5.240 3.539 3.126 3.918 . 0 0 "[ . 1 . 2]" 1
1079 1 59 ILE MG 1 76 ARG HG2 . . 3.620 1.931 1.847 2.070 . 0 0 "[ . 1 . 2]" 1
1080 1 59 ILE MG 1 61 GLU HB2 . . 4.320 4.247 4.166 4.333 0.013 15 0 "[ . 1 . 2]" 1
1081 1 79 GLY HA2 1 85 ALA MB . . 4.280 3.927 3.405 4.222 . 0 0 "[ . 1 . 2]" 1
1082 1 85 ALA MB 1 89 CYS HB2 . . 4.580 4.402 4.116 4.607 0.027 7 0 "[ . 1 . 2]" 1
1083 1 89 CYS HA 1 89 CYS HG . . 4.360 3.542 2.648 3.912 . 0 0 "[ . 1 . 2]" 1
1084 1 59 ILE MG 1 85 ALA MB . . 4.710 4.733 4.600 4.826 0.116 18 0 "[ . 1 . 2]" 1
1085 1 77 GLU HB2 1 88 SER HB2 . . 4.310 3.165 2.313 3.839 . 0 0 "[ . 1 . 2]" 1
1086 1 35 TYR HA 1 38 LYS HB2 . . 4.370 2.923 2.691 3.270 . 0 0 "[ . 1 . 2]" 1
1087 1 82 LYS HA 1 82 LYS HD2 . . 4.870 4.492 4.156 4.645 . 0 0 "[ . 1 . 2]" 1
1088 1 82 LYS HA 1 82 LYS HE2 . . 5.090 5.321 4.477 5.830 0.740 12 1 "[ . 1 + . 2]" 1
1089 1 58 PHE HB2 1 82 LYS HA . . 4.370 3.571 3.177 3.916 . 0 0 "[ . 1 . 2]" 1
1090 1 58 PHE HB3 1 82 LYS HA . . 4.450 3.768 3.380 4.186 . 0 0 "[ . 1 . 2]" 1
1091 1 57 SER QB 1 80 SER HA . . 4.580 3.536 2.779 4.456 . 0 0 "[ . 1 . 2]" 1
1092 1 96 GLN HA 1 99 HIS HB3 . . 3.920 2.577 2.122 2.905 . 0 0 "[ . 1 . 2]" 1
1093 1 75 ALA MB 1 92 SER HA . . 4.600 4.254 4.007 4.335 . 0 0 "[ . 1 . 2]" 1
1094 1 96 GLN HA 1 100 LEU QD . . 4.840 3.891 3.150 4.335 . 0 0 "[ . 1 . 2]" 1
1095 1 98 TYR HA 1 103 ILE MD . . 4.370 3.414 2.944 3.556 . 0 0 "[ . 1 . 2]" 1
1096 1 102 VAL HB 1 103 ILE MD . . 4.660 4.621 4.488 4.889 0.229 19 0 "[ . 1 . 2]" 1
1097 1 103 ILE MD 1 104 GLU H . . 4.350 3.955 2.395 4.359 0.009 16 0 "[ . 1 . 2]" 1
1098 1 40 LYS H 1 41 ILE MD . . 4.740 4.530 4.155 4.708 . 0 0 "[ . 1 . 2]" 1
1099 1 83 LYS HA 1 87 GLN H . . 4.340 3.840 3.623 4.372 0.032 12 0 "[ . 1 . 2]" 1
1100 1 83 LYS HA 1 86 ALA H . . 4.400 3.880 3.561 4.160 . 0 0 "[ . 1 . 2]" 1
1101 1 99 HIS HA 1 101 GLY H . . 4.620 4.574 4.450 4.647 0.027 14 0 "[ . 1 . 2]" 1
1102 1 66 ILE MD 1 67 LYS QD . . 4.540 4.470 4.249 4.582 0.042 18 0 "[ . 1 . 2]" 1
1103 1 66 ILE MD 1 66 ILE MG . . 2.900 2.047 1.952 2.099 . 0 0 "[ . 1 . 2]" 1
1104 1 45 TYR HA 1 46 LYS QB . . 4.490 3.989 3.935 4.057 . 0 0 "[ . 1 . 2]" 1
1105 1 93 LEU HA 1 97 LEU MD1 . . 4.890 3.983 3.581 4.149 . 0 0 "[ . 1 . 2]" 1
1106 1 27 ASN HB3 1 28 ALA HA . . 5.500 4.351 4.089 5.287 . 0 0 "[ . 1 . 2]" 1
1107 1 85 ALA MB 1 86 ALA HA . . 4.380 3.684 3.620 3.781 . 0 0 "[ . 1 . 2]" 1
1108 1 41 ILE MG 1 42 GLN HA . . 4.630 3.439 3.390 3.503 . 0 0 "[ . 1 . 2]" 1
1109 1 52 PRO HD3 1 55 ASN H . . 5.090 5.084 4.973 5.159 0.069 3 0 "[ . 1 . 2]" 1
1110 1 17 ALA HA 1 19 LEU H . . 4.840 4.394 3.511 4.841 0.001 2 0 "[ . 1 . 2]" 1
1111 1 17 ALA HA 1 20 HIS H . . 5.110 3.515 2.758 3.945 . 0 0 "[ . 1 . 2]" 1
1112 1 106 TYR QE 1 108 SER HA . . 4.300 3.745 2.658 4.341 0.041 14 0 "[ . 1 . 2]" 1
1113 1 36 PHE HA 1 40 LYS H . . 4.850 3.859 3.719 4.082 . 0 0 "[ . 1 . 2]" 1
1114 1 66 ILE MD 1 73 ILE H . . 4.540 4.470 4.299 4.545 0.005 1 0 "[ . 1 . 2]" 1
1115 1 66 ILE MD 1 67 LYS H . . 4.270 3.737 3.696 3.869 . 0 0 "[ . 1 . 2]" 1
1116 1 65 TYR QD 1 66 ILE MD . . 4.590 4.408 4.314 4.541 . 0 0 "[ . 1 . 2]" 1
1117 1 29 LYS HA 1 33 ASN H . . 4.450 4.385 4.054 4.485 0.035 14 0 "[ . 1 . 2]" 1
1118 1 47 TYR QD 1 82 LYS HA . . 4.320 3.049 2.722 4.124 . 0 0 "[ . 1 . 2]" 1
1119 1 95 ARG HA 1 98 TYR QD . . 4.970 3.803 3.119 4.503 . 0 0 "[ . 1 . 2]" 1
1120 1 63 THR HA 1 64 ILE MD . . 4.910 4.950 4.878 5.056 0.146 16 0 "[ . 1 . 2]" 1
1121 1 88 SER H 1 88 SER HB3 . . 3.660 3.365 3.032 3.560 . 0 0 "[ . 1 . 2]" 1
1122 1 89 CYS HA 1 92 SER H . . 4.410 3.507 3.381 3.644 . 0 0 "[ . 1 . 2]" 1
1123 1 72 ARG HA 1 73 ILE MG . . 4.450 3.675 3.335 4.041 . 0 0 "[ . 1 . 2]" 1
1124 1 73 ILE MG 1 97 LEU H . . 4.650 4.526 4.210 4.693 0.043 12 0 "[ . 1 . 2]" 1
1125 1 66 ILE H 1 73 ILE MG . . 5.090 4.962 4.588 5.151 0.061 12 0 "[ . 1 . 2]" 1
1126 1 32 LEU H 1 90 ALA MB . . 4.010 4.020 3.689 4.350 0.340 10 0 "[ . 1 . 2]" 1
1127 1 106 TYR QD 1 107 SER QB . . 4.330 3.890 3.324 4.198 . 0 0 "[ . 1 . 2]" 1
1128 1 59 ILE MG 1 60 ALA HA . . 4.550 3.849 3.769 3.935 . 0 0 "[ . 1 . 2]" 1
1129 1 16 ASN H 1 17 ALA MB . . 4.460 3.967 3.780 4.298 . 0 0 "[ . 1 . 2]" 1
1130 1 50 VAL MG1 1 59 ILE H . . 4.820 3.866 3.681 4.144 . 0 0 "[ . 1 . 2]" 1
1131 1 47 TYR HA 1 60 ALA MB . . 4.480 3.317 3.222 3.542 . 0 0 "[ . 1 . 2]" 1
1132 1 60 ALA MB 1 61 GLU HA . . 4.920 4.147 4.077 4.177 . 0 0 "[ . 1 . 2]" 1
1133 1 32 LEU MD1 1 35 TYR QE . . 4.660 4.185 3.586 4.435 . 0 0 "[ . 1 . 2]" 1
1134 1 91 LEU QD 1 95 ARG HE . . 4.900 3.225 1.829 3.983 . 0 0 "[ . 1 . 2]" 1
1135 1 91 LEU QD 1 92 SER H . . 4.450 4.033 3.846 4.108 . 0 0 "[ . 1 . 2]" 1
1136 1 28 ALA H 1 91 LEU QD . . 4.480 3.643 3.448 4.051 . 0 0 "[ . 1 . 2]" 1
1137 1 93 LEU H 1 97 LEU MD1 . . 4.890 4.894 4.581 5.012 0.122 19 0 "[ . 1 . 2]" 1
1138 1 40 LYS QG 1 41 ILE H . . 4.710 4.492 4.192 4.829 0.119 13 0 "[ . 1 . 2]" 1
1139 1 67 LYS HG3 1 68 GLN H . . 5.070 3.294 3.143 3.690 . 0 0 "[ . 1 . 2]" 1
1140 1 48 THR HB 1 49 GLN H . . 4.590 4.562 4.489 4.627 0.037 13 0 "[ . 1 . 2]" 1
1141 1 75 ALA MB 1 92 SER H . . 4.550 4.121 3.997 4.257 . 0 0 "[ . 1 . 2]" 1
1142 1 71 ARG QG 1 72 ARG H . . 4.480 3.136 2.377 3.659 . 0 0 "[ . 1 . 2]" 1
1143 1 36 PHE HZ 1 64 ILE HG12 . . 4.320 3.832 3.577 4.019 . 0 0 "[ . 1 . 2]" 1
1144 1 69 LEU H 1 69 LEU MD1 . . 4.120 4.182 3.594 4.282 0.162 17 0 "[ . 1 . 2]" 1
1145 1 103 ILE H 1 103 ILE HG13 . . 4.290 2.502 1.995 3.417 . 0 0 "[ . 1 . 2]" 1
1146 1 84 LEU HG 1 85 ALA H . . 4.520 4.475 2.354 4.681 0.161 19 0 "[ . 1 . 2]" 1
1147 1 69 LEU H 1 69 LEU HG . . 3.840 2.909 1.926 3.073 . 0 0 "[ . 1 . 2]" 1
1148 1 68 GLN HB3 1 69 LEU H . . 4.300 4.173 2.891 4.336 0.036 11 0 "[ . 1 . 2]" 1
1149 1 65 TYR QD 1 72 ARG HG3 . . 3.970 3.885 3.721 3.955 . 0 0 "[ . 1 . 2]" 1
1150 1 68 GLN HB2 1 69 LEU H . . 4.420 4.215 4.129 4.417 . 0 0 "[ . 1 . 2]" 1
1151 1 40 LYS QB 1 41 ILE H . . 4.780 3.823 3.729 3.866 . 0 0 "[ . 1 . 2]" 1
1152 1 67 LYS H 1 67 LYS QD . . 4.680 2.394 2.152 2.516 . 0 0 "[ . 1 . 2]" 1
1153 1 65 TYR QE 1 67 LYS QD . . 4.840 3.401 3.166 3.551 . 0 0 "[ . 1 . 2]" 1
1154 1 65 TYR QD 1 67 LYS QD . . 5.030 3.473 3.181 3.630 . 0 0 "[ . 1 . 2]" 1
1155 1 49 GLN QB 1 58 PHE QD . . 4.710 2.945 1.985 3.570 . 0 0 "[ . 1 . 2]" 1
1156 1 49 GLN QB 1 58 PHE HA . . 4.970 3.740 3.493 3.998 . 0 0 "[ . 1 . 2]" 1
1157 1 96 GLN HB2 1 96 GLN HE22 . . 4.950 3.447 3.275 4.383 . 0 0 "[ . 1 . 2]" 1
1158 1 96 GLN H 1 96 GLN HB2 . . 4.170 2.214 2.091 3.558 . 0 0 "[ . 1 . 2]" 1
1159 1 20 HIS QB 1 21 GLY H . . 5.290 2.384 2.188 3.191 . 0 0 "[ . 1 . 2]" 1
1160 1 96 GLN HB3 1 97 LEU H . . 4.450 3.187 2.850 4.157 . 0 0 "[ . 1 . 2]" 1
1161 1 47 TYR QE 1 82 LYS HB2 . . 4.920 4.532 3.569 4.764 . 0 0 "[ . 1 . 2]" 1
1162 1 47 TYR QE 1 82 LYS HB3 . . 4.650 3.196 1.986 3.463 . 0 0 "[ . 1 . 2]" 1
1163 1 82 LYS HB3 1 83 LYS H . . 4.530 3.216 3.008 3.579 . 0 0 "[ . 1 . 2]" 1
1164 1 83 LYS HB2 1 84 LEU H . . 3.660 2.948 2.157 3.679 0.019 11 0 "[ . 1 . 2]" 1
1165 1 83 LYS HB3 1 84 LEU H . . 3.950 2.376 1.999 3.136 . 0 0 "[ . 1 . 2]" 1
1166 1 78 HIS QB 1 79 GLY H . . 4.390 3.949 3.510 4.127 . 0 0 "[ . 1 . 2]" 1
1167 1 77 GLU HA 1 78 HIS QB . . 4.920 4.434 3.856 4.737 . 0 0 "[ . 1 . 2]" 1
1168 1 65 TYR QD 1 72 ARG HB3 . . 4.350 2.124 2.015 2.212 . 0 0 "[ . 1 . 2]" 1
1169 1 65 TYR QD 1 72 ARG HB2 . . 4.550 3.709 3.558 3.821 . 0 0 "[ . 1 . 2]" 1
1170 1 67 LYS HB3 1 68 GLN H . . 4.380 4.153 4.114 4.272 . 0 0 "[ . 1 . 2]" 1
1171 1 44 GLU HB2 1 45 TYR H . . 4.220 2.810 1.956 4.011 . 0 0 "[ . 1 . 2]" 1
1172 1 34 GLN HE22 1 34 GLN HG2 . . 4.020 3.739 3.445 4.136 0.116 6 0 "[ . 1 . 2]" 1
1173 1 34 GLN H 1 34 GLN HG2 . . 3.960 3.280 2.837 3.718 . 0 0 "[ . 1 . 2]" 1
1174 1 61 GLU HB3 1 76 ARG HA . . 4.780 2.474 2.112 2.745 . 0 0 "[ . 1 . 2]" 1
1175 1 61 GLU HB2 1 76 ARG HA . . 4.820 2.877 2.705 3.088 . 0 0 "[ . 1 . 2]" 1
1176 1 26 GLU HG2 1 27 ASN H . . 4.810 4.748 4.545 4.903 0.093 16 0 "[ . 1 . 2]" 1
1177 1 45 TYR QE 1 62 MET HB2 . . 5.050 3.892 3.561 4.183 . 0 0 "[ . 1 . 2]" 1
1178 1 35 TYR HB2 1 36 PHE H . . 4.270 4.034 3.932 4.109 . 0 0 "[ . 1 . 2]" 1
1179 1 23 TRP HE1 1 98 TYR HB3 . . 5.030 4.793 3.523 5.064 0.034 9 0 "[ . 1 . 2]" 1
1180 1 46 LYS H 1 62 MET HB2 . . 5.050 3.743 3.284 3.991 . 0 0 "[ . 1 . 2]" 1
1181 1 27 ASN HB3 1 28 ALA H . . 4.740 3.198 2.571 3.387 . 0 0 "[ . 1 . 2]" 1
1182 1 27 ASN HB2 1 28 ALA H . . 4.690 2.333 1.971 3.896 . 0 0 "[ . 1 . 2]" 1
1183 1 81 ASN HB2 1 82 LYS H . . 4.350 3.080 2.240 3.887 . 0 0 "[ . 1 . 2]" 1
1184 1 48 THR H 1 59 ILE HB . . 4.660 3.010 2.822 3.139 . 0 0 "[ . 1 . 2]" 1
1185 1 97 LEU HB2 1 98 TYR H . . 4.610 2.495 2.240 2.641 . 0 0 "[ . 1 . 2]" 1
1186 1 97 LEU HB3 1 98 TYR H . . 4.730 3.346 3.136 3.447 . 0 0 "[ . 1 . 2]" 1
1187 1 19 LEU HB3 1 20 HIS H . . 4.710 3.313 3.055 3.906 . 0 0 "[ . 1 . 2]" 1
1188 1 19 LEU HB2 1 20 HIS H . . 4.730 2.819 2.227 4.222 . 0 0 "[ . 1 . 2]" 1
1189 1 80 SER H 1 84 LEU HB3 . . 5.070 2.830 2.372 4.021 . 0 0 "[ . 1 . 2]" 1
1190 1 93 LEU HB3 1 94 VAL H . . 4.320 3.716 3.447 3.846 . 0 0 "[ . 1 . 2]" 1
1191 1 23 TRP HH2 1 31 ARG QD . . 4.340 2.641 1.989 3.962 . 0 0 "[ . 1 . 2]" 1
1192 1 100 LEU HB2 1 101 GLY H . . 5.110 2.696 2.578 2.829 . 0 0 "[ . 1 . 2]" 1
1193 1 56 ARG HD2 1 57 SER H . . 4.770 4.467 3.562 4.785 0.015 3 0 "[ . 1 . 2]" 1
1194 1 50 VAL H 1 56 ARG HD3 . . 4.650 4.707 3.420 5.550 0.900 8 4 "[ * . + 1- . * 2]" 1
1195 1 74 PHE HB2 1 75 ALA H . . 4.330 3.808 3.650 3.934 . 0 0 "[ . 1 . 2]" 1
1196 1 74 PHE HZ 1 76 ARG HD2 . . 4.320 3.899 2.935 4.482 0.162 1 0 "[ . 1 . 2]" 1
1197 1 58 PHE HB2 1 59 ILE H . . 4.700 4.544 4.419 4.646 . 0 0 "[ . 1 . 2]" 1
1198 1 52 PRO HG3 1 54 HIS HE1 . . 4.550 2.662 2.314 2.946 . 0 0 "[ . 1 . 2]" 1
1199 1 54 HIS HE1 1 55 ASN QB . . 4.970 3.680 3.203 4.582 . 0 0 "[ . 1 . 2]" 1
1200 1 106 TYR H 1 106 TYR QD . . 4.380 3.965 3.786 4.119 . 0 0 "[ . 1 . 2]" 1
1201 1 65 TYR QD 1 72 ARG H . . 4.480 4.446 4.370 4.513 0.033 13 0 "[ . 1 . 2]" 1
1202 1 65 TYR QD 1 72 ARG QD . . 4.490 4.103 3.728 4.286 . 0 0 "[ . 1 . 2]" 1
1203 1 65 TYR QD 1 67 LYS HG2 . . 4.880 4.882 4.777 4.947 0.067 14 0 "[ . 1 . 2]" 1
1204 1 45 TYR QD 1 89 CYS HB2 . . 4.870 3.255 2.974 3.807 . 0 0 "[ . 1 . 2]" 1
1205 1 45 TYR QD 1 89 CYS HB3 . . 4.400 2.606 2.275 3.488 . 0 0 "[ . 1 . 2]" 1
1206 1 45 TYR QD 1 62 MET H . . 5.090 5.057 4.879 5.130 0.040 6 0 "[ . 1 . 2]" 1
1207 1 45 TYR QD 1 46 LYS H . . 4.320 4.228 3.821 4.356 0.036 15 0 "[ . 1 . 2]" 1
1208 1 47 TYR QD 1 48 THR H . . 4.370 4.325 4.046 4.383 0.013 8 0 "[ . 1 . 2]" 1
1209 1 47 TYR QD 1 61 GLU H . . 5.140 4.878 3.404 5.157 0.017 16 0 "[ . 1 . 2]" 1
1210 1 46 LYS HA 1 47 TYR QD . . 4.450 3.929 3.700 4.464 0.014 9 0 "[ . 1 . 2]" 1
1211 1 47 TYR QD 1 58 PHE HB3 . . 4.550 2.942 2.533 4.112 . 0 0 "[ . 1 . 2]" 1
1212 1 47 TYR QD 1 82 LYS HB3 . . 4.510 4.203 3.400 4.494 . 0 0 "[ . 1 . 2]" 1
1213 1 47 TYR QD 1 82 LYS HG3 . . 4.990 4.193 3.646 4.504 . 0 0 "[ . 1 . 2]" 1
1214 1 47 TYR QD 1 82 LYS HG2 . . 4.420 2.761 2.221 2.958 . 0 0 "[ . 1 . 2]" 1
1215 1 74 PHE QD 1 75 ALA HA . . 4.810 3.098 2.746 3.873 . 0 0 "[ . 1 . 2]" 1
1216 1 63 THR HA 1 74 PHE QD . . 4.380 4.162 3.834 4.311 . 0 0 "[ . 1 . 2]" 1
1217 1 74 PHE QD 1 75 ALA H . . 4.510 3.132 2.664 3.273 . 0 0 "[ . 1 . 2]" 1
1218 1 35 TYR QD 1 36 PHE HA . . 4.710 3.733 3.347 3.990 . 0 0 "[ . 1 . 2]" 1
1219 1 58 PHE QD 1 59 ILE H . . 4.790 4.391 3.902 4.818 0.028 15 0 "[ . 1 . 2]" 1
1220 1 48 THR H 1 58 PHE QD . . 5.160 4.299 3.564 4.966 . 0 0 "[ . 1 . 2]" 1
1221 1 57 SER HA 1 58 PHE QD . . 4.890 3.641 2.975 4.491 . 0 0 "[ . 1 . 2]" 1
1222 1 49 GLN HA 1 58 PHE QD . . 4.810 3.410 2.175 3.863 . 0 0 "[ . 1 . 2]" 1
1223 1 58 PHE QD 1 82 LYS HA . . 5.070 4.648 3.768 4.981 . 0 0 "[ . 1 . 2]" 1
1224 1 58 PHE QD 1 85 ALA MB . . 4.890 4.813 4.246 4.918 0.028 5 0 "[ . 1 . 2]" 1
1225 1 58 PHE QD 1 82 LYS HG3 . . 5.180 3.706 3.037 4.180 . 0 0 "[ . 1 . 2]" 1
1226 1 74 PHE QE 1 76 ARG QB . . 4.150 2.162 1.845 2.506 . 0 0 "[ . 1 . 2]" 1
1227 1 74 PHE QE 1 76 ARG HD2 . . 4.750 4.148 3.480 5.330 0.580 9 1 "[ . +1 . 2]" 1
1228 1 63 THR MG 1 74 PHE QE . . 5.160 4.558 3.987 5.136 . 0 0 "[ . 1 . 2]" 1
1229 1 36 PHE QE 1 41 ILE HB . . 4.650 4.031 3.885 4.200 . 0 0 "[ . 1 . 2]" 1
1230 1 35 TYR QE 1 36 PHE QE . . 4.970 2.290 2.035 2.500 . 0 0 "[ . 1 . 2]" 1
1231 1 36 PHE QD 1 37 GLN H . . 4.740 4.547 4.452 4.631 . 0 0 "[ . 1 . 2]" 1
1232 1 32 LEU MD2 1 36 PHE QD . . 4.420 4.277 3.894 4.477 0.057 13 0 "[ . 1 . 2]" 1
1233 1 32 LEU MD1 1 36 PHE QD . . 4.410 3.998 3.520 4.268 . 0 0 "[ . 1 . 2]" 1
1234 1 32 LEU MD1 1 36 PHE HZ . . 4.570 2.417 2.026 2.863 . 0 0 "[ . 1 . 2]" 1
1235 1 36 PHE HZ 1 64 ILE HG13 . . 5.090 4.994 4.672 5.124 0.034 16 0 "[ . 1 . 2]" 1
1236 1 22 ASN H 1 23 TRP HD1 . . 5.010 4.889 4.651 5.128 0.118 17 0 "[ . 1 . 2]" 1
1237 1 96 GLN HB3 1 99 HIS HD2 . . 4.650 3.622 2.840 4.337 . 0 0 "[ . 1 . 2]" 1
1238 1 19 LEU QD 1 20 HIS HD2 . . 5.070 3.754 2.723 4.662 . 0 0 "[ . 1 . 2]" 1
1239 1 19 LEU HB2 1 20 HIS HD2 . . 4.610 3.393 2.537 4.653 0.043 5 0 "[ . 1 . 2]" 1
1240 1 19 LEU HB3 1 20 HIS HD2 . . 4.380 4.031 3.348 4.731 0.351 15 0 "[ . 1 . 2]" 1
1241 1 23 TRP HE3 1 27 ASN HB3 . . 5.500 2.583 2.111 4.491 . 0 0 "[ . 1 . 2]" 1
1242 1 20 HIS H 1 20 HIS HD2 . . 4.610 2.285 1.970 2.626 . 0 0 "[ . 1 . 2]" 1
1243 1 23 TRP HE3 1 28 ALA H . . 4.920 3.011 2.749 3.905 . 0 0 "[ . 1 . 2]" 1
1244 1 54 HIS HA 1 54 HIS HD2 . . 5.180 4.162 3.970 4.429 . 0 0 "[ . 1 . 2]" 1
1245 1 45 TYR QE 1 89 CYS H . . 4.560 4.351 4.065 4.558 . 0 0 "[ . 1 . 2]" 1
1246 1 47 TYR H 1 47 TYR QE . . 4.810 4.425 4.313 4.831 0.021 13 0 "[ . 1 . 2]" 1
1247 1 65 TYR QE 1 70 GLY H . . 4.520 4.399 4.304 4.509 . 0 0 "[ . 1 . 2]" 1
1248 1 65 TYR QE 1 66 ILE H . . 4.660 4.465 4.362 4.612 . 0 0 "[ . 1 . 2]" 1
1249 1 65 TYR QE 1 67 LYS H . . 4.460 3.360 3.245 3.413 . 0 0 "[ . 1 . 2]" 1
1250 1 47 TYR HA 1 47 TYR QE . . 4.790 4.706 4.344 4.782 . 0 0 "[ . 1 . 2]" 1
1251 1 47 TYR QE 1 60 ALA HA . . 4.940 4.274 3.515 4.479 . 0 0 "[ . 1 . 2]" 1
1252 1 47 TYR QE 1 86 ALA HA . . 4.950 3.379 2.878 3.730 . 0 0 "[ . 1 . 2]" 1
1253 1 45 TYR QE 1 60 ALA MB . . 4.450 4.487 4.452 4.517 0.067 14 0 "[ . 1 . 2]" 1
1254 1 47 TYR QE 1 82 LYS HG2 . . 4.460 3.395 2.940 3.726 . 0 0 "[ . 1 . 2]" 1
1255 1 47 TYR QE 1 82 LYS HG3 . . 4.920 4.723 4.159 4.929 0.009 15 0 "[ . 1 . 2]" 1
1256 1 47 TYR QE 1 82 LYS HD2 . . 4.850 4.601 3.377 5.346 0.496 7 0 "[ . 1 . 2]" 1
1257 1 45 TYR QE 1 90 ALA HA . . 4.580 3.208 2.850 3.571 . 0 0 "[ . 1 . 2]" 1
1258 1 45 TYR HA 1 45 TYR QE . . 4.850 4.755 4.307 4.828 . 0 0 "[ . 1 . 2]" 1
1259 1 35 TYR QE 1 39 GLU HB2 . . 4.700 4.367 4.075 4.573 . 0 0 "[ . 1 . 2]" 1
1260 1 63 THR HA 1 74 PHE HB3 . . 4.950 4.994 4.967 5.031 0.081 12 0 "[ . 1 . 2]" 1
1261 1 48 THR H 1 58 PHE HA . . 5.210 3.769 3.661 3.919 . 0 0 "[ . 1 . 2]" 1
1262 1 47 TYR HA 1 61 GLU H . . 3.500 3.528 3.507 3.601 0.101 13 0 "[ . 1 . 2]" 1
1263 1 61 GLU HA 1 76 ARG QB . . 4.700 3.574 3.396 3.749 . 0 0 "[ . 1 . 2]" 1
1264 1 59 ILE MG 1 61 GLU HA . . 5.110 4.176 4.091 4.271 . 0 0 "[ . 1 . 2]" 1
1265 1 61 GLU HA 1 62 MET HA . . 4.970 4.415 4.387 4.476 . 0 0 "[ . 1 . 2]" 1
1266 1 10 SER HB3 1 11 GLU H . . 5.400 4.262 3.812 4.674 . 0 0 "[ . 1 . 2]" 1
1267 1 11 GLU HA 1 11 GLU QG . . 3.460 2.499 2.008 3.347 . 0 0 "[ . 1 . 2]" 1
1268 1 11 GLU HB3 1 11 GLU QG . . 2.730 2.422 2.193 2.571 . 0 0 "[ . 1 . 2]" 1
1269 1 12 GLU HA 1 12 GLU QG . . 3.340 2.271 2.033 2.870 . 0 0 "[ . 1 . 2]" 1
1270 1 12 GLU HB2 1 13 VAL H . . 4.330 4.559 3.367 4.736 0.406 11 0 "[ . 1 . 2]" 1
1271 1 14 ASP QB 1 17 ALA MB . . 3.650 2.763 1.814 3.466 . 0 0 "[ . 1 . 2]" 1
1272 1 33 ASN QB 1 34 GLN HA . . 4.750 3.831 3.597 4.157 . 0 0 "[ . 1 . 2]" 1
1273 1 66 ILE MG 1 68 GLN HA . . 4.190 4.170 3.997 4.205 0.015 18 0 "[ . 1 . 2]" 1
1274 1 37 GLN HA 1 37 GLN HG2 . . 3.510 2.437 2.025 3.774 0.264 12 0 "[ . 1 . 2]" 1
1275 1 31 ARG HA 1 34 GLN HG2 . . 4.890 4.431 4.114 4.763 . 0 0 "[ . 1 . 2]" 1
1276 1 33 ASN HA 1 36 PHE HB3 . . 4.250 4.281 4.223 4.334 0.084 14 0 "[ . 1 . 2]" 1
1277 1 32 LEU HA 1 32 LEU MD2 . . 3.950 3.846 3.789 3.895 . 0 0 "[ . 1 . 2]" 1
1278 1 31 ARG H 1 32 LEU HB2 . . 5.360 5.219 4.862 5.332 . 0 0 "[ . 1 . 2]" 1
1279 1 32 LEU MD1 1 33 ASN H . . 4.520 4.538 4.446 4.613 0.093 10 0 "[ . 1 . 2]" 1
1280 1 32 LEU MD1 1 35 TYR H . . 4.580 4.491 4.287 4.585 0.005 13 0 "[ . 1 . 2]" 1
1281 1 97 LEU MD2 1 102 VAL H . . 4.330 4.253 4.116 4.385 0.055 19 0 "[ . 1 . 2]" 1
1282 1 32 LEU MD1 1 36 PHE QE . . 3.580 2.892 2.473 3.240 . 0 0 "[ . 1 . 2]" 1
1283 1 97 LEU MD2 1 98 TYR H . . 4.730 4.723 4.631 4.771 0.041 9 0 "[ . 1 . 2]" 1
1284 1 35 TYR QD 1 97 LEU MD2 . . 4.780 4.458 4.216 4.832 0.052 14 0 "[ . 1 . 2]" 1
1285 1 97 LEU H 1 97 LEU HG . . 3.630 2.327 2.071 2.685 . 0 0 "[ . 1 . 2]" 1
1286 1 31 ARG HA 1 31 ARG QD . . 3.840 2.244 1.882 3.088 . 0 0 "[ . 1 . 2]" 1
1287 1 24 THR H 1 28 ALA MB . . 4.280 4.147 3.371 4.334 0.054 16 0 "[ . 1 . 2]" 1
1288 1 28 ALA MB 1 91 LEU QB . . 4.220 2.411 2.042 3.211 . 0 0 "[ . 1 . 2]" 1
1289 1 28 ALA MB 1 29 LYS HA . . 4.470 3.665 3.564 3.818 . 0 0 "[ . 1 . 2]" 1
1290 1 23 TRP HZ3 1 27 ASN HB2 . . 4.740 3.716 3.238 4.846 0.106 17 0 "[ . 1 . 2]" 1
1291 1 23 TRP HZ3 1 27 ASN HB3 . . 4.370 2.625 1.988 4.904 0.534 20 1 "[ . 1 . +]" 1
1292 1 25 LEU HB3 1 26 GLU H . . 4.060 3.370 3.122 3.591 . 0 0 "[ . 1 . 2]" 1
1293 1 24 THR H 1 91 LEU QD . . 4.330 4.147 3.564 4.298 . 0 0 "[ . 1 . 2]" 1
1294 1 25 LEU MD2 1 88 SER HA . . 3.080 1.842 1.766 1.980 . 0 0 "[ . 1 . 2]" 1
1295 1 25 LEU H 1 25 LEU MD1 . . 3.970 3.353 2.865 3.933 . 0 0 "[ . 1 . 2]" 1
1296 1 23 TRP HE3 1 27 ASN HD21 . . 4.850 4.795 3.427 4.977 0.127 13 0 "[ . 1 . 2]" 1
1297 1 23 TRP HE3 1 28 ALA HA . . 3.770 3.247 2.995 3.780 0.010 20 0 "[ . 1 . 2]" 1
1298 1 42 GLN QG 1 43 GLY H . . 4.340 4.220 3.906 4.393 0.053 19 0 "[ . 1 . 2]" 1
1299 1 48 THR MG 1 49 GLN QB . . 4.680 4.373 4.277 4.449 . 0 0 "[ . 1 . 2]" 1
1300 1 46 LYS HA 1 46 LYS QD . . 4.810 2.879 2.082 3.866 . 0 0 "[ . 1 . 2]" 1
1301 1 46 LYS QE 1 46 LYS HG2 . . 3.780 2.484 1.982 3.041 . 0 0 "[ . 1 . 2]" 1
1302 1 45 TYR HB2 1 46 LYS H . . 4.400 4.262 3.920 4.470 0.070 16 0 "[ . 1 . 2]" 1
1303 1 45 TYR QD 1 62 MET HB2 . . 4.070 2.982 2.098 3.245 . 0 0 "[ . 1 . 2]" 1
1304 1 96 GLN HB3 1 96 GLN HE22 . . 4.990 4.267 3.260 4.771 . 0 0 "[ . 1 . 2]" 1
1305 1 44 GLU H 1 44 GLU HB3 . . 3.610 3.343 2.794 3.522 . 0 0 "[ . 1 . 2]" 1
1306 1 43 GLY HA2 1 44 GLU HG2 . . 4.870 4.138 3.288 5.273 0.403 18 0 "[ . 1 . 2]" 1
1307 1 44 GLU HG2 1 45 TYR H . . 4.510 4.297 3.481 4.872 0.362 16 0 "[ . 1 . 2]" 1
1308 1 44 GLU HG3 1 45 TYR H . . 4.280 4.152 3.447 4.724 0.444 9 0 "[ . 1 . 2]" 1
1309 1 36 PHE QE 1 43 GLY HA3 . . 4.710 3.446 2.557 3.857 . 0 0 "[ . 1 . 2]" 1
1310 1 42 GLN HB2 1 43 GLY H . . 4.120 3.741 3.314 4.317 0.197 20 0 "[ . 1 . 2]" 1
1311 1 42 GLN H 1 42 GLN HB3 . . 3.480 3.509 3.254 3.753 0.273 14 0 "[ . 1 . 2]" 1
1312 1 36 PHE HB3 1 37 GLN H . . 3.960 3.905 3.746 3.975 0.015 9 0 "[ . 1 . 2]" 1
1313 1 105 ALA HA 1 106 TYR HA . . 4.460 4.328 4.294 4.368 . 0 0 "[ . 1 . 2]" 1
1314 1 36 PHE HB3 1 41 ILE HB . . 4.380 3.663 3.448 3.852 . 0 0 "[ . 1 . 2]" 1
1315 1 36 PHE HA 1 41 ILE HB . . 3.320 2.097 1.989 2.220 . 0 0 "[ . 1 . 2]" 1
1316 1 36 PHE QD 1 41 ILE MG . . 3.960 2.767 2.481 3.200 . 0 0 "[ . 1 . 2]" 1
1317 1 41 ILE MD 1 41 ILE MG . . 2.960 2.179 2.043 2.304 . 0 0 "[ . 1 . 2]" 1
1318 1 72 ARG HG3 1 73 ILE H . . 4.750 4.545 4.454 4.649 . 0 0 "[ . 1 . 2]" 1
1319 1 71 ARG HA 1 72 ARG HG2 . . 4.150 4.205 4.141 4.232 0.082 19 0 "[ . 1 . 2]" 1
1320 1 40 LYS HA 1 40 LYS HD2 . . 4.310 3.096 2.215 4.047 . 0 0 "[ . 1 . 2]" 1
1321 1 40 LYS H 1 40 LYS HD2 . . 4.890 4.477 3.457 4.907 0.017 5 0 "[ . 1 . 2]" 1
1322 1 39 GLU HA 1 39 GLU HG3 . . 3.950 3.505 2.576 3.660 . 0 0 "[ . 1 . 2]" 1
1323 1 38 LYS HA 1 38 LYS QE . . 4.400 3.964 2.277 4.411 0.011 8 0 "[ . 1 . 2]" 1
1324 1 38 LYS HB3 1 38 LYS QE . . 4.050 3.255 2.334 4.031 . 0 0 "[ . 1 . 2]" 1
1325 1 40 LYS QB 1 40 LYS QE . . 4.170 3.037 2.242 3.592 . 0 0 "[ . 1 . 2]" 1
1326 1 36 PHE H 1 37 GLN HA . . 4.870 4.920 4.880 4.946 0.076 10 0 "[ . 1 . 2]" 1
1327 1 36 PHE HA 1 41 ILE MG . . 4.750 3.543 3.361 3.695 . 0 0 "[ . 1 . 2]" 1
1328 1 35 TYR QE 1 36 PHE QD . . 4.570 3.366 3.127 3.517 . 0 0 "[ . 1 . 2]" 1
1329 1 35 TYR HB2 1 103 ILE MG . . 5.210 3.695 3.237 4.074 . 0 0 "[ . 1 . 2]" 1
1330 1 31 ARG QD 1 34 GLN QB . . 4.700 2.712 2.164 3.351 . 0 0 "[ . 1 . 2]" 1
1331 1 65 TYR HB2 1 66 ILE H . . 4.870 4.184 4.152 4.248 . 0 0 "[ . 1 . 2]" 1
1332 1 65 TYR HB3 1 66 ILE H . . 5.240 4.280 4.253 4.338 . 0 0 "[ . 1 . 2]" 1
1333 1 64 ILE H 1 64 ILE HB . . 3.680 3.699 3.606 3.741 0.061 11 0 "[ . 1 . 2]" 1
1334 1 65 TYR HA 1 66 ILE HB . . 4.610 4.692 4.672 4.783 0.173 19 0 "[ . 1 . 2]" 1
1335 1 66 ILE HB 1 69 LEU HB3 . . 4.370 3.780 3.589 4.396 0.026 7 0 "[ . 1 . 2]" 1
1336 1 66 ILE QG 1 73 ILE H . . 4.920 3.634 3.426 3.825 . 0 0 "[ . 1 . 2]" 1
1337 1 66 ILE QG 1 67 LYS H . . 4.980 4.873 4.838 4.909 . 0 0 "[ . 1 . 2]" 1
1338 1 66 ILE QG 1 66 ILE MG . . 3.150 2.277 2.230 2.417 . 0 0 "[ . 1 . 2]" 1
1339 1 66 ILE MG 1 67 LYS HA . . 4.560 4.367 4.294 4.441 . 0 0 "[ . 1 . 2]" 1
1340 1 67 LYS HA 1 70 GLY H . . 3.970 2.823 2.717 2.883 . 0 0 "[ . 1 . 2]" 1
1341 1 67 LYS HA 1 71 ARG H . . 4.400 4.407 4.311 4.452 0.052 18 0 "[ . 1 . 2]" 1
1342 1 65 TYR QD 1 67 LYS HB3 . . 4.650 3.494 3.307 3.643 . 0 0 "[ . 1 . 2]" 1
1343 1 65 TYR QE 1 67 LYS HB3 . . 4.370 1.993 1.981 2.021 . 0 0 "[ . 1 . 2]" 1
1344 1 67 LYS HA 1 67 LYS QD . . 4.350 3.915 3.764 4.014 . 0 0 "[ . 1 . 2]" 1
1345 1 68 GLN HB2 1 69 LEU HG . . 4.660 4.640 4.372 5.030 0.370 15 0 "[ . 1 . 2]" 1
1346 1 68 GLN HB3 1 69 LEU HG . . 4.950 4.986 3.235 5.294 0.344 6 0 "[ . 1 . 2]" 1
1347 1 66 ILE HB 1 69 LEU HG . . 4.580 2.782 2.044 3.029 . 0 0 "[ . 1 . 2]" 1
1348 1 68 GLN QG 1 69 LEU MD2 . . 3.950 2.231 1.748 2.463 . 0 0 "[ . 1 . 2]" 1
1349 1 69 LEU MD1 1 70 GLY H . . 5.030 4.926 4.712 5.034 0.004 20 0 "[ . 1 . 2]" 1
1350 1 69 LEU HB2 1 69 LEU MD1 . . 3.380 2.516 2.279 2.594 . 0 0 "[ . 1 . 2]" 1
1351 1 52 PRO HD3 1 55 ASN QB . . 4.340 4.429 4.363 4.488 0.148 8 0 "[ . 1 . 2]" 1
1352 1 53 ASP H 1 53 ASP HB3 . . 3.840 2.798 2.323 3.549 . 0 0 "[ . 1 . 2]" 1
1353 1 52 PRO HB3 1 54 HIS HE1 . . 4.370 3.904 2.744 4.372 0.002 5 0 "[ . 1 . 2]" 1
1354 1 56 ARG QG 1 57 SER H . . 4.450 3.656 3.135 4.268 . 0 0 "[ . 1 . 2]" 1
1355 1 53 ASP HA 1 56 ARG HD2 . . 4.610 4.446 3.920 4.672 0.062 19 0 "[ . 1 . 2]" 1
1356 1 62 MET ME 1 62 MET HG3 . . 3.070 2.238 1.978 3.244 0.174 16 0 "[ . 1 . 2]" 1
1357 1 62 MET ME 1 62 MET HG2 . . 3.300 3.205 2.048 3.331 0.031 14 0 "[ . 1 . 2]" 1
1358 1 42 GLN HA 1 43 GLY HA3 . . 4.970 4.365 4.354 4.373 . 0 0 "[ . 1 . 2]" 1
1359 1 41 ILE HG12 1 41 ILE MG . . 3.480 2.323 2.283 2.366 . 0 0 "[ . 1 . 2]" 1
1360 1 36 PHE QE 1 41 ILE MD . . 3.780 3.702 3.422 3.809 0.029 7 0 "[ . 1 . 2]" 1
1361 1 39 GLU H 1 41 ILE MD . . 4.390 3.905 3.636 4.110 . 0 0 "[ . 1 . 2]" 1
1362 1 63 THR HA 1 93 LEU MD1 . . 4.450 3.084 2.813 3.344 . 0 0 "[ . 1 . 2]" 1
1363 1 75 ALA MB 1 93 LEU HG . . 3.420 3.456 3.424 3.522 0.102 13 0 "[ . 1 . 2]" 1
1364 1 93 LEU HA 1 96 GLN HB2 . . 4.140 2.677 2.418 4.506 0.366 12 0 "[ . 1 . 2]" 1
1365 1 93 LEU HA 1 93 LEU HG . . 3.870 3.653 3.623 3.687 . 0 0 "[ . 1 . 2]" 1
1366 1 25 LEU HA 1 91 LEU QD . . 2.950 2.628 1.862 3.018 0.068 4 0 "[ . 1 . 2]" 1
1367 1 23 TRP HZ3 1 31 ARG QG . . 4.920 2.972 1.911 3.804 . 0 0 "[ . 1 . 2]" 1
1368 1 23 TRP HZ3 1 31 ARG HB2 . . 4.190 2.398 1.982 3.261 . 0 0 "[ . 1 . 2]" 1
1369 1 23 TRP HZ3 1 31 ARG HB3 . . 4.160 3.595 2.952 4.261 0.101 8 0 "[ . 1 . 2]" 1
1370 1 23 TRP HZ3 1 31 ARG QD . . 5.030 3.619 2.399 4.676 . 0 0 "[ . 1 . 2]" 1
1371 1 106 TYR QD 1 107 SER HA . . 4.250 4.593 4.241 4.721 0.471 11 0 "[ . 1 . 2]" 1
1372 1 99 HIS HB3 1 99 HIS HD2 . . 3.730 2.723 2.718 2.728 . 0 0 "[ . 1 . 2]" 1
1373 1 106 TYR QE 1 108 SER HB3 . . 4.510 4.240 2.791 5.443 0.933 16 2 "[ . - 1 .+ 2]" 1
1374 1 26 GLU QB 1 27 ASN HA . . 5.180 3.645 3.572 3.724 . 0 0 "[ . 1 . 2]" 1
1375 1 35 TYR QD 1 102 VAL QG . . 3.940 3.822 3.569 3.935 . 0 0 "[ . 1 . 2]" 1
1376 1 35 TYR QE 1 41 ILE MG . . 4.560 3.529 3.427 3.729 . 0 0 "[ . 1 . 2]" 1
1377 1 35 TYR QD 1 41 ILE MG . . 4.710 4.366 4.192 4.578 . 0 0 "[ . 1 . 2]" 1
1378 1 21 GLY HA3 1 106 TYR H . . 5.480 4.518 3.813 5.062 . 0 0 "[ . 1 . 2]" 1
1379 1 21 GLY HA3 1 23 TRP HE1 . . 5.160 4.948 4.382 5.171 0.011 8 0 "[ . 1 . 2]" 1
1380 1 21 GLY HA3 1 105 ALA HA . . 4.450 3.965 3.157 4.262 . 0 0 "[ . 1 . 2]" 1
1381 1 104 GLU QG 1 106 TYR HA . . 5.240 4.418 4.017 5.420 0.180 9 0 "[ . 1 . 2]" 1
1382 1 105 ALA MB 1 106 TYR HA . . 5.160 4.481 4.247 4.641 . 0 0 "[ . 1 . 2]" 1
1383 1 27 ASN HB2 1 28 ALA MB . . 5.240 3.959 3.608 5.364 0.124 17 0 "[ . 1 . 2]" 1
1384 1 26 GLU QB 1 27 ASN HB2 . . 5.160 4.629 4.499 4.900 . 0 0 "[ . 1 . 2]" 1
1385 1 99 HIS HB3 1 100 LEU HG . . 5.320 4.739 4.408 5.384 0.064 18 0 "[ . 1 . 2]" 1
1386 1 97 LEU HA 1 100 LEU HG . . 5.410 4.741 4.177 5.105 . 0 0 "[ . 1 . 2]" 1
1387 1 96 GLN HB2 1 100 LEU QD . . 4.490 4.129 2.759 4.435 . 0 0 "[ . 1 . 2]" 1
1388 1 66 ILE MD 1 97 LEU MD2 . . 3.120 2.015 1.923 2.164 . 0 0 "[ . 1 . 2]" 1
1389 1 66 ILE HA 1 97 LEU MD2 . . 4.920 4.945 4.847 5.036 0.116 18 0 "[ . 1 . 2]" 1
1390 1 32 LEU MD1 1 93 LEU HB3 . . 4.500 3.125 2.641 3.369 . 0 0 "[ . 1 . 2]" 1
1391 1 64 ILE H 1 93 LEU MD1 . . 4.480 3.554 3.323 3.896 . 0 0 "[ . 1 . 2]" 1
1392 1 93 LEU MD2 1 94 VAL H . . 4.520 3.576 3.466 3.710 . 0 0 "[ . 1 . 2]" 1
1393 1 62 MET H 1 93 LEU MD2 . . 4.210 3.636 3.455 3.745 . 0 0 "[ . 1 . 2]" 1
1394 1 32 LEU MD1 1 93 LEU MD2 . . 3.680 3.654 3.347 3.724 0.044 18 0 "[ . 1 . 2]" 1
1395 1 84 LEU HA 1 87 GLN HB3 . . 3.960 3.762 3.513 3.993 0.033 11 0 "[ . 1 . 2]" 1
1396 1 32 LEU HB2 1 94 VAL QG . . 3.280 2.554 2.336 2.871 . 0 0 "[ . 1 . 2]" 1
1397 1 32 LEU MD1 1 93 LEU H . . 4.870 4.634 4.487 4.810 . 0 0 "[ . 1 . 2]" 1
1398 1 32 LEU MD1 1 94 VAL HA . . 4.180 3.789 3.227 4.066 . 0 0 "[ . 1 . 2]" 1
1399 1 32 LEU MD1 1 93 LEU HB2 . . 3.850 2.710 2.538 2.866 . 0 0 "[ . 1 . 2]" 1
1400 1 32 LEU MD1 1 97 LEU MD1 . . 3.170 2.528 2.228 2.935 . 0 0 "[ . 1 . 2]" 1
1401 1 32 LEU MD2 1 33 ASN H . . 4.570 4.235 3.993 4.409 . 0 0 "[ . 1 . 2]" 1
1402 1 32 LEU MD2 1 94 VAL H . . 4.690 4.131 3.436 4.566 . 0 0 "[ . 1 . 2]" 1
1403 1 25 LEU HA 1 91 LEU QB . . 4.060 2.363 2.076 3.471 . 0 0 "[ . 1 . 2]" 1
1404 1 25 LEU HB3 1 87 GLN QE . . 4.840 2.993 2.060 3.844 . 0 0 "[ . 1 . 2]" 1
1405 1 25 LEU MD2 1 87 GLN QG . . 3.750 3.476 2.869 3.812 0.062 11 0 "[ . 1 . 2]" 1
1406 1 25 LEU MD2 1 87 GLN QE . . 4.420 3.812 2.753 4.733 0.313 6 0 "[ . 1 . 2]" 1
1407 1 14 ASP QB 1 15 LEU HB3 . . 5.500 5.194 4.535 6.313 0.813 2 2 "[ + . 1 -. 2]" 1
1408 1 12 GLU HA 1 13 VAL QG . . 4.220 3.947 3.348 4.151 . 0 0 "[ . 1 . 2]" 1
1409 1 101 GLY H 1 102 VAL QG . . 4.580 3.015 2.407 3.292 . 0 0 "[ . 1 . 2]" 1
1410 1 102 VAL QG 1 103 ILE H . . 3.970 3.059 1.844 3.387 . 0 0 "[ . 1 . 2]" 1
1411 1 105 ALA HA 1 106 TYR HB2 . . 4.990 4.150 4.044 4.257 . 0 0 "[ . 1 . 2]" 1
1412 1 23 TRP HD1 1 105 ALA MB . . 4.510 4.481 4.336 4.564 0.054 11 0 "[ . 1 . 2]" 1
1413 1 32 LEU H 1 33 ASN QB . . 4.840 4.676 4.543 4.797 . 0 0 "[ . 1 . 2]" 1
1414 1 89 CYS HB3 1 90 ALA MB . . 4.380 3.782 3.713 3.847 . 0 0 "[ . 1 . 2]" 1
1415 1 60 ALA MB 1 85 ALA H . . 4.390 4.231 4.148 4.407 0.017 16 0 "[ . 1 . 2]" 1
1416 1 45 TYR HB2 1 86 ALA MB . . 4.460 3.826 3.497 4.095 . 0 0 "[ . 1 . 2]" 1
1417 1 74 PHE QD 1 75 ALA MB . . 5.260 4.248 4.034 4.435 . 0 0 "[ . 1 . 2]" 1
1418 1 74 PHE QD 1 76 ARG QB . . 5.410 3.888 3.678 4.051 . 0 0 "[ . 1 . 2]" 1
1419 1 71 ARG QG 1 73 ILE MG . . 4.340 3.629 3.043 4.342 0.002 12 0 "[ . 1 . 2]" 1
1420 1 28 ALA HA 1 32 LEU H . . 4.660 3.769 3.562 4.025 . 0 0 "[ . 1 . 2]" 1
1421 1 23 TRP HZ3 1 28 ALA HA . . 4.490 3.836 2.716 4.184 . 0 0 "[ . 1 . 2]" 1
1422 1 28 ALA MB 1 91 LEU QD . . 3.040 1.956 1.727 2.182 . 0 0 "[ . 1 . 2]" 1
1423 1 28 ALA MB 1 94 VAL HB . . 3.750 2.427 2.019 2.958 . 0 0 "[ . 1 . 2]" 1
1424 1 28 ALA HA 1 31 ARG HB3 . . 4.580 2.791 2.351 4.084 . 0 0 "[ . 1 . 2]" 1
1425 1 39 GLU HG3 1 41 ILE MD . . 4.010 2.730 2.480 3.270 . 0 0 "[ . 1 . 2]" 1
1426 1 48 THR MG 1 59 ILE HB . . 4.520 2.949 2.664 3.222 . 0 0 "[ . 1 . 2]" 1
1427 1 48 THR HB 1 59 ILE HG13 . . 4.680 4.610 4.420 4.695 0.015 18 0 "[ . 1 . 2]" 1
1428 1 73 ILE MD 1 97 LEU HA . . 4.360 3.174 2.779 3.491 . 0 0 "[ . 1 . 2]" 1
1429 1 98 TYR H 1 103 ILE HG12 . . 4.810 2.643 2.460 2.963 . 0 0 "[ . 1 . 2]" 1
1430 1 98 TYR H 1 103 ILE HG13 . . 4.840 2.970 2.684 3.587 . 0 0 "[ . 1 . 2]" 1
1431 1 102 VAL HB 1 103 ILE MG . . 4.410 3.569 3.245 4.334 . 0 0 "[ . 1 . 2]" 1
1432 1 98 TYR HB2 1 103 ILE MD . . 4.290 2.162 1.803 2.743 . 0 0 "[ . 1 . 2]" 1
1433 1 23 TRP HE3 1 27 ASN HB2 . . 5.410 2.567 1.992 5.035 . 0 0 "[ . 1 . 2]" 1
1434 1 23 TRP HE3 1 31 ARG HB3 . . 5.290 4.690 4.176 5.803 0.513 8 1 "[ . + 1 . 2]" 1
1435 1 23 TRP HH2 1 103 ILE MD . . 4.600 4.523 3.442 5.287 0.687 9 1 "[ . +1 . 2]" 1
1436 1 23 TRP HZ2 1 103 ILE MD . . 4.380 3.511 2.495 4.063 . 0 0 "[ . 1 . 2]" 1
1437 1 23 TRP HE1 1 103 ILE MD . . 4.110 3.123 2.189 4.149 0.039 14 0 "[ . 1 . 2]" 1
1438 1 31 ARG HE 1 103 ILE MD . . 4.560 3.812 3.049 4.576 0.016 20 0 "[ . 1 . 2]" 1
1439 1 28 ALA HA 1 31 ARG HB2 . . 4.620 3.316 2.311 4.119 . 0 0 "[ . 1 . 2]" 1
1440 1 31 ARG HB2 1 94 VAL QG . . 4.870 3.692 2.921 4.030 . 0 0 "[ . 1 . 2]" 1
1441 1 31 ARG HB3 1 94 VAL QG . . 5.140 2.839 2.506 3.652 . 0 0 "[ . 1 . 2]" 1
1442 1 59 ILE H 1 59 ILE HG12 . . 5.410 4.069 3.790 4.201 . 0 0 "[ . 1 . 2]" 1
1443 1 95 ARG HA 1 98 TYR HB3 . . 3.950 2.786 2.536 3.162 . 0 0 "[ . 1 . 2]" 1
1444 1 95 ARG HG3 1 95 ARG QH2 . . 5.240 4.822 4.166 5.456 0.216 19 0 "[ . 1 . 2]" 1
1445 1 91 LEU HG 1 95 ARG HG3 . . 4.660 3.401 1.999 4.929 0.269 15 0 "[ . 1 . 2]" 1
1446 1 91 LEU QD 1 95 ARG HG2 . . 4.750 3.461 2.207 4.257 . 0 0 "[ . 1 . 2]" 1
1447 1 95 ARG HG2 1 95 ARG QH2 . . 5.450 4.411 3.807 5.397 . 0 0 "[ . 1 . 2]" 1
1448 1 73 ILE MG 1 96 GLN HE21 . . 4.850 3.987 3.342 4.632 . 0 0 "[ . 1 . 2]" 1
1449 1 71 ARG HE 1 73 ILE MG . . 5.290 2.945 1.918 4.545 . 0 0 "[ . 1 . 2]" 1
1450 1 73 ILE MG 1 96 GLN HA . . 4.730 4.542 4.211 4.777 0.047 13 0 "[ . 1 . 2]" 1
1451 1 73 ILE MG 1 93 LEU HA . . 4.620 4.615 4.410 4.779 0.159 12 0 "[ . 1 . 2]" 1
1452 1 73 ILE MG 1 96 GLN HG3 . . 4.790 4.222 2.886 4.774 . 0 0 "[ . 1 . 2]" 1
1453 1 47 TYR QD 1 86 ALA H . . 5.350 4.436 3.958 5.300 . 0 0 "[ . 1 . 2]" 1
1454 1 98 TYR HB3 1 103 ILE MD . . 5.320 3.072 2.358 3.460 . 0 0 "[ . 1 . 2]" 1
1455 1 99 HIS HE1 1 100 LEU QD . . 4.610 2.801 2.051 3.863 . 0 0 "[ . 1 . 2]" 1
1456 1 19 LEU HB2 1 20 HIS HA . . 5.500 4.615 4.102 5.443 . 0 0 "[ . 1 . 2]" 1
1457 1 74 PHE HZ 1 76 ARG QB . . 4.480 1.945 1.851 2.061 . 0 0 "[ . 1 . 2]" 1
1458 1 65 TYR HA 1 72 ARG HG2 . . 4.300 4.209 4.182 4.223 . 0 0 "[ . 1 . 2]" 1
1459 1 65 TYR HA 1 72 ARG HG3 . . 4.410 4.482 4.448 4.512 0.102 7 0 "[ . 1 . 2]" 1
1460 1 71 ARG HA 1 72 ARG HG3 . . 3.970 3.944 3.728 4.017 0.047 12 0 "[ . 1 . 2]" 1
1461 1 72 ARG HA 1 72 ARG HG3 . . 4.010 3.530 3.514 3.541 . 0 0 "[ . 1 . 2]" 1
1462 1 65 TYR QE 1 72 ARG HG3 . . 5.140 5.143 4.965 5.184 0.044 12 0 "[ . 1 . 2]" 1
1463 1 59 ILE MG 1 76 ARG HG3 . . 3.930 2.672 2.505 2.793 . 0 0 "[ . 1 . 2]" 1
1464 1 61 GLU HG2 1 76 ARG HG2 . . 4.990 4.871 4.326 5.016 0.026 16 0 "[ . 1 . 2]" 1
1465 1 76 ARG HG2 1 77 GLU H . . 5.380 3.402 3.115 3.684 . 0 0 "[ . 1 . 2]" 1
1466 1 76 ARG HG3 1 77 GLU H . . 5.180 4.853 4.660 5.080 . 0 0 "[ . 1 . 2]" 1
1467 1 77 GLU H 1 77 GLU HG2 . . 5.410 2.891 2.394 3.138 . 0 0 "[ . 1 . 2]" 1
1468 1 73 ILE MD 1 96 GLN HG2 . . 4.940 3.761 3.147 4.444 . 0 0 "[ . 1 . 2]" 1
1469 1 23 TRP H 1 24 THR MG . . 4.810 3.887 3.432 4.269 . 0 0 "[ . 1 . 2]" 1
1470 1 24 THR MG 1 27 ASN H . . 4.770 3.755 3.314 3.869 . 0 0 "[ . 1 . 2]" 1
1471 1 22 ASN HA 1 24 THR MG . . 4.480 3.809 3.426 4.342 . 0 0 "[ . 1 . 2]" 1
1472 1 24 THR MG 1 27 ASN HB3 . . 4.570 4.188 2.014 4.584 0.014 7 0 "[ . 1 . 2]" 1
1473 1 22 ASN HB3 1 24 THR MG . . 4.140 3.755 3.416 4.104 . 0 0 "[ . 1 . 2]" 1
1474 1 108 SER HB3 1 109 GLY H . . 5.160 3.193 2.113 4.723 . 0 0 "[ . 1 . 2]" 1
1475 1 77 GLU HB3 1 88 SER HB3 . . 4.250 2.832 2.312 3.265 . 0 0 "[ . 1 . 2]" 1
1476 1 88 SER HB3 1 89 CYS H . . 4.060 3.016 2.379 3.728 . 0 0 "[ . 1 . 2]" 1
1477 1 96 GLN HA 1 96 GLN HE21 . . 4.730 4.456 3.945 4.738 0.008 19 0 "[ . 1 . 2]" 1
1478 1 96 GLN HA 1 99 HIS HD2 . . 4.480 2.135 1.989 3.280 . 0 0 "[ . 1 . 2]" 1
1479 1 29 LYS HE3 1 29 LYS QG . . 3.480 2.872 2.083 3.415 . 0 0 "[ . 1 . 2]" 1
1480 1 29 LYS HE3 1 45 TYR QE . . 4.410 3.823 3.024 4.387 . 0 0 "[ . 1 . 2]" 1
1481 1 29 LYS HE2 1 45 TYR QE . . 4.370 3.501 1.972 4.345 . 0 0 "[ . 1 . 2]" 1
1482 1 29 LYS QD 1 87 GLN HA . . 3.910 2.704 1.999 3.590 . 0 0 "[ . 1 . 2]" 1
1483 1 68 GLN H 1 69 LEU HG . . 5.140 4.412 3.922 4.574 . 0 0 "[ . 1 . 2]" 1
1484 1 93 LEU MD1 1 96 GLN HG3 . . 4.920 5.169 3.313 5.860 0.940 10 8 "[ . ***+ .*- **]" 1
1485 1 74 PHE HB3 1 93 LEU MD1 . . 4.870 4.852 4.746 4.907 0.037 13 0 "[ . 1 . 2]" 1
1486 1 73 ILE H 1 73 ILE HG12 . . 4.050 2.174 1.916 2.478 . 0 0 "[ . 1 . 2]" 1
1487 1 84 LEU HB2 1 84 LEU QD . . 3.020 2.233 2.040 2.352 . 0 0 "[ . 1 . 2]" 1
1488 1 73 ILE HG13 1 93 LEU HA . . 4.640 3.925 3.506 4.383 . 0 0 "[ . 1 . 2]" 1
1489 1 61 GLU HG3 1 76 ARG HG3 . . 4.510 4.509 4.312 4.550 0.040 12 0 "[ . 1 . 2]" 1
1490 1 78 HIS H 1 78 HIS HD2 . . 5.160 4.159 2.609 5.140 . 0 0 "[ . 1 . 2]" 1
1491 1 59 ILE HG13 1 78 HIS HD2 . . 4.950 4.155 2.185 4.821 . 0 0 "[ . 1 . 2]" 1
1492 1 25 LEU HB3 1 87 GLN QG . . 4.090 3.152 2.128 3.762 . 0 0 "[ . 1 . 2]" 1
1493 1 56 ARG HD3 1 58 PHE QE . . 5.110 4.164 3.529 5.142 0.032 13 0 "[ . 1 . 2]" 1
1494 1 59 ILE MD 1 78 HIS QB . . 3.900 2.975 2.744 3.629 . 0 0 "[ . 1 . 2]" 1
1495 1 59 ILE HB 1 59 ILE MD . . 3.330 2.175 1.964 2.357 . 0 0 "[ . 1 . 2]" 1
1496 1 59 ILE H 1 59 ILE MD . . 4.050 3.416 3.086 3.876 . 0 0 "[ . 1 . 2]" 1
1497 1 48 THR HB 1 59 ILE MD . . 3.950 3.354 3.155 3.521 . 0 0 "[ . 1 . 2]" 1
1498 1 59 ILE MD 1 78 HIS HA . . 4.440 4.065 3.675 4.439 . 0 0 "[ . 1 . 2]" 1
1499 1 45 TYR QE 1 89 CYS HB2 . . 3.830 3.656 3.534 3.837 0.007 7 0 "[ . 1 . 2]" 1
1500 1 45 TYR QE 1 89 CYS HB3 . . 3.640 2.072 1.987 2.854 . 0 0 "[ . 1 . 2]" 1
1501 1 53 ASP HA 1 55 ASN H . . 4.660 4.079 3.911 4.326 . 0 0 "[ . 1 . 2]" 1
1502 1 59 ILE MG 1 78 HIS HA . . 4.150 3.631 3.318 3.838 . 0 0 "[ . 1 . 2]" 1
1503 1 38 LYS HA 1 38 LYS HD2 . . 3.810 2.822 2.039 3.873 0.063 17 0 "[ . 1 . 2]" 1
1504 1 38 LYS H 1 38 LYS QG . . 3.520 3.084 2.620 3.542 0.022 8 0 "[ . 1 . 2]" 1
1505 1 35 TYR QE 1 39 GLU HG2 . . 4.580 4.426 3.434 4.694 0.114 4 0 "[ . 1 . 2]" 1
1506 1 39 GLU HB3 1 41 ILE MG . . 4.550 4.548 4.476 4.595 0.045 12 0 "[ . 1 . 2]" 1
1507 1 60 ALA HA 1 61 GLU H . . 3.200 2.195 2.192 2.201 . 0 0 "[ . 1 . 2]" 1
1508 1 41 ILE HB 1 42 GLN H . . 3.730 3.716 3.616 3.749 0.019 9 0 "[ . 1 . 2]" 1
1509 1 103 ILE H 1 103 ILE MG . . 3.860 2.988 2.657 3.123 . 0 0 "[ . 1 . 2]" 1
1510 1 60 ALA HA 1 85 ALA MB . . 4.920 3.736 3.547 3.942 . 0 0 "[ . 1 . 2]" 1
1511 1 78 HIS HA 1 85 ALA MB . . 4.280 3.749 3.410 4.213 . 0 0 "[ . 1 . 2]" 1
1512 1 47 TYR QD 1 85 ALA MB . . 4.120 2.919 2.601 4.103 . 0 0 "[ . 1 . 2]" 1
1513 1 79 GLY H 1 85 ALA MB . . 3.760 2.349 2.015 2.721 . 0 0 "[ . 1 . 2]" 1
1514 1 47 TYR QB 1 82 LYS HE2 . . 4.100 3.212 2.589 3.731 . 0 0 "[ . 1 . 2]" 1
1515 1 47 TYR QE 1 82 LYS HE2 . . 4.740 4.049 3.213 4.740 0.000 12 0 "[ . 1 . 2]" 1
1516 1 47 TYR QD 1 82 LYS HE2 . . 4.300 2.986 2.317 3.832 . 0 0 "[ . 1 . 2]" 1
1517 1 58 PHE QE 1 82 LYS HE3 . . 4.080 3.907 2.719 4.309 0.229 4 0 "[ . 1 . 2]" 1
1518 1 23 TRP H 1 23 TRP HB3 . . 3.920 3.584 3.489 3.711 . 0 0 "[ . 1 . 2]" 1
1519 1 63 THR HA 1 64 ILE H . . 3.140 2.213 2.153 2.258 . 0 0 "[ . 1 . 2]" 1
1520 1 22 ASN HB3 1 106 TYR HB2 . . 4.550 3.670 3.231 4.294 . 0 0 "[ . 1 . 2]" 1
1521 1 22 ASN HB3 1 106 TYR HB3 . . 4.090 2.348 1.987 2.765 . 0 0 "[ . 1 . 2]" 1
1522 1 22 ASN HB2 1 106 TYR HB2 . . 4.330 3.791 3.402 4.239 . 0 0 "[ . 1 . 2]" 1
1523 1 22 ASN HB2 1 106 TYR HB3 . . 3.950 2.276 1.986 2.798 . 0 0 "[ . 1 . 2]" 1
1524 1 21 GLY HA2 1 23 TRP HE1 . . 4.990 4.945 4.459 5.225 0.235 17 0 "[ . 1 . 2]" 1
1525 1 23 TRP HB3 1 94 VAL QG . . 4.230 2.907 2.254 3.337 . 0 0 "[ . 1 . 2]" 1
1526 1 23 TRP HB2 1 94 VAL QG . . 4.440 3.902 3.265 4.329 . 0 0 "[ . 1 . 2]" 1
1527 1 23 TRP HB2 1 91 LEU QD . . 4.300 3.350 2.827 3.575 . 0 0 "[ . 1 . 2]" 1
1528 1 23 TRP HD1 1 103 ILE MD . . 5.050 3.853 2.737 4.960 . 0 0 "[ . 1 . 2]" 1
1529 1 23 TRP HD1 1 91 LEU QD . . 4.790 4.970 4.171 5.442 0.652 9 1 "[ . +1 . 2]" 1
1530 1 23 TRP HE3 1 106 TYR HB2 . . 5.240 3.731 3.190 4.177 . 0 0 "[ . 1 . 2]" 1
1531 1 23 TRP HE3 1 106 TYR QD . . 5.140 3.953 2.732 4.574 . 0 0 "[ . 1 . 2]" 1
1532 1 23 TRP HZ2 1 94 VAL QG . . 5.110 4.334 3.514 4.937 . 0 0 "[ . 1 . 2]" 1
1533 1 23 TRP HZ2 1 103 ILE MG . . 3.860 4.011 3.762 4.225 0.365 9 0 "[ . 1 . 2]" 1
1534 1 23 TRP HZ2 1 103 ILE HB . . 4.890 2.986 2.418 3.416 . 0 0 "[ . 1 . 2]" 1
1535 1 23 TRP HZ2 1 104 GLU QG . . 4.060 3.602 2.939 4.193 0.133 9 0 "[ . 1 . 2]" 1
1536 1 23 TRP HZ2 1 31 ARG QD . . 4.990 4.331 3.526 4.864 . 0 0 "[ . 1 . 2]" 1
1537 1 23 TRP HZ2 1 106 TYR QD . . 4.580 4.352 3.508 5.071 0.491 20 0 "[ . 1 . 2]" 1
1538 1 23 TRP HZ2 1 31 ARG HE . . 4.750 3.819 2.695 4.751 0.001 11 0 "[ . 1 . 2]" 1
1539 1 23 TRP HZ3 1 106 TYR QD . . 4.050 3.451 2.550 4.085 0.035 5 0 "[ . 1 . 2]" 1
1540 1 23 TRP HH2 1 31 ARG QG . . 4.200 2.447 1.918 3.067 . 0 0 "[ . 1 . 2]" 1
1541 1 23 TRP HH2 1 31 ARG HB2 . . 4.710 3.398 2.227 4.300 . 0 0 "[ . 1 . 2]" 1
1542 1 23 TRP HH2 1 31 ARG HE . . 4.790 3.328 2.332 4.481 . 0 0 "[ . 1 . 2]" 1
1543 1 24 THR MG 1 26 GLU H . . 4.760 4.505 4.334 4.649 . 0 0 "[ . 1 . 2]" 1
1544 1 98 TYR HA 1 102 VAL H . . 5.320 2.955 2.731 3.373 . 0 0 "[ . 1 . 2]" 1
1545 1 23 TRP HE1 1 105 ALA MB . . 3.980 3.940 3.406 4.087 0.107 13 0 "[ . 1 . 2]" 1
1546 1 17 ALA MB 1 19 LEU H . . 4.940 4.602 4.102 4.955 0.015 19 0 "[ . 1 . 2]" 1
1547 1 23 TRP HE3 1 91 LEU QD . . 4.790 4.419 3.913 4.770 . 0 0 "[ . 1 . 2]" 1
1548 1 93 LEU HA 1 96 GLN HE21 . . 4.580 2.661 2.132 3.575 . 0 0 "[ . 1 . 2]" 1
1549 1 93 LEU HA 1 96 GLN HG3 . . 4.810 4.812 2.474 5.580 0.770 19 8 "[ . **** .** +-]" 1
1550 1 93 LEU HA 1 97 LEU H . . 4.920 3.855 3.731 3.941 . 0 0 "[ . 1 . 2]" 1
1551 1 75 ALA MB 1 93 LEU HB3 . . 4.820 4.616 4.511 4.703 . 0 0 "[ . 1 . 2]" 1
1552 1 23 TRP HD1 1 94 VAL QG . . 3.950 3.876 3.632 3.982 0.032 17 0 "[ . 1 . 2]" 1
1553 1 23 TRP HE3 1 94 VAL QG . . 3.910 3.307 2.977 3.583 . 0 0 "[ . 1 . 2]" 1
1554 1 28 ALA H 1 94 VAL QG . . 4.690 3.707 3.479 4.016 . 0 0 "[ . 1 . 2]" 1
1555 1 94 VAL QG 1 95 ARG H . . 3.450 3.029 2.744 3.234 . 0 0 "[ . 1 . 2]" 1
1556 1 23 TRP HE1 1 94 VAL QG . . 4.540 4.149 3.788 4.388 . 0 0 "[ . 1 . 2]" 1
1557 1 93 LEU H 1 94 VAL QG . . 4.460 3.790 3.700 4.016 . 0 0 "[ . 1 . 2]" 1
1558 1 32 LEU HG 1 33 ASN H . . 4.280 3.882 3.712 4.102 . 0 0 "[ . 1 . 2]" 1
1559 1 23 TRP HH2 1 31 ARG HB3 . . 4.630 4.346 3.608 4.803 0.173 11 0 "[ . 1 . 2]" 1
1560 1 104 GLU HA 1 105 ALA MB . . 4.990 4.073 3.941 4.165 . 0 0 "[ . 1 . 2]" 1
1561 1 36 PHE HB2 1 41 ILE HB . . 4.870 4.763 4.652 4.856 . 0 0 "[ . 1 . 2]" 1
1562 1 36 PHE H 1 41 ILE HB . . 4.950 4.848 4.726 4.976 0.026 19 0 "[ . 1 . 2]" 1
1563 1 31 ARG HE 1 103 ILE HB . . 5.070 3.410 2.623 4.380 . 0 0 "[ . 1 . 2]" 1
1564 1 40 LYS H 1 41 ILE HB . . 4.870 4.551 4.429 4.630 . 0 0 "[ . 1 . 2]" 1
1565 1 94 VAL QG 1 103 ILE MG . . 3.370 3.257 2.975 3.328 . 0 0 "[ . 1 . 2]" 1
1566 1 35 TYR QD 1 103 ILE MG . . 3.750 3.670 3.362 3.772 0.022 8 0 "[ . 1 . 2]" 1
1567 1 35 TYR QE 1 103 ILE MG . . 4.630 4.414 3.980 4.635 0.005 18 0 "[ . 1 . 2]" 1
1568 1 102 VAL H 1 103 ILE MG . . 4.900 4.545 4.365 4.923 0.023 9 0 "[ . 1 . 2]" 1
1569 1 98 TYR H 1 103 ILE MG . . 4.640 4.376 4.231 4.546 . 0 0 "[ . 1 . 2]" 1
1570 1 31 ARG HE 1 103 ILE MG . . 4.090 2.335 1.915 3.564 . 0 0 "[ . 1 . 2]" 1
1571 1 23 TRP HE1 1 103 ILE HG13 . . 5.320 3.680 2.804 4.191 . 0 0 "[ . 1 . 2]" 1
1572 1 97 LEU H 1 103 ILE MG . . 5.410 5.244 4.959 5.613 0.203 14 0 "[ . 1 . 2]" 1
1573 1 98 TYR HB2 1 103 ILE MG . . 4.790 4.696 4.552 4.842 0.052 19 0 "[ . 1 . 2]" 1
1574 1 94 VAL HA 1 103 ILE MG . . 4.560 3.846 3.300 4.233 . 0 0 "[ . 1 . 2]" 1
1575 1 97 LEU HA 1 103 ILE MG . . 4.900 4.922 4.675 5.092 0.192 19 0 "[ . 1 . 2]" 1
1576 1 102 VAL H 1 103 ILE MD . . 4.950 4.875 4.165 4.999 0.049 17 0 "[ . 1 . 2]" 1
1577 1 21 GLY HA2 1 105 ALA MB . . 3.600 2.393 2.022 2.675 . 0 0 "[ . 1 . 2]" 1
1578 1 21 GLY HA3 1 105 ALA MB . . 3.550 3.464 3.135 3.605 0.055 6 0 "[ . 1 . 2]" 1
1579 1 23 TRP HH2 1 106 TYR HA . . 4.690 4.190 3.522 4.728 0.038 6 0 "[ . 1 . 2]" 1
1580 1 23 TRP HZ2 1 106 TYR HA . . 4.150 3.902 3.553 4.323 0.173 9 0 "[ . 1 . 2]" 1
1581 1 23 TRP HH2 1 106 TYR HB2 . . 4.950 4.424 3.888 5.003 0.053 9 0 "[ . 1 . 2]" 1
1582 1 23 TRP HZ2 1 106 TYR HB2 . . 5.140 4.222 3.461 5.121 . 0 0 "[ . 1 . 2]" 1
1583 1 27 ASN HB2 1 106 TYR QD . . 5.240 4.228 3.693 4.653 . 0 0 "[ . 1 . 2]" 1
1584 1 22 ASN HB3 1 106 TYR QD . . 3.850 2.514 2.076 3.248 . 0 0 "[ . 1 . 2]" 1
1585 1 22 ASN HB2 1 106 TYR QD . . 3.850 3.640 3.282 4.206 0.356 6 0 "[ . 1 . 2]" 1
1586 1 27 ASN HD22 1 106 TYR QD . . 5.350 4.041 3.285 4.512 . 0 0 "[ . 1 . 2]" 1
1587 1 27 ASN HD21 1 106 TYR QD . . 4.520 4.278 3.862 4.574 0.054 8 0 "[ . 1 . 2]" 1
1588 1 23 TRP HH2 1 106 TYR QD . . 3.810 3.469 2.659 3.903 0.093 6 0 "[ . 1 . 2]" 1
1589 1 27 ASN HB2 1 106 TYR QE . . 4.590 4.325 2.683 4.713 0.123 13 0 "[ . 1 . 2]" 1
1590 1 22 ASN HB3 1 106 TYR QE . . 4.620 4.596 4.221 4.745 0.125 2 0 "[ . 1 . 2]" 1
1591 1 27 ASN HB3 1 106 TYR QE . . 4.070 3.460 2.585 4.044 . 0 0 "[ . 1 . 2]" 1
1592 1 106 TYR QE 1 107 SER QB . . 5.240 4.603 4.219 5.061 . 0 0 "[ . 1 . 2]" 1
1593 1 27 ASN HD22 1 106 TYR QE . . 4.270 2.647 1.916 4.519 0.249 11 0 "[ . 1 . 2]" 1
1594 1 27 ASN HD21 1 106 TYR QE . . 4.450 2.876 2.257 3.823 . 0 0 "[ . 1 . 2]" 1
1595 1 106 TYR QE 1 107 SER H . . 4.900 3.597 3.399 3.929 . 0 0 "[ . 1 . 2]" 1
1596 1 45 TYR QD 1 62 MET HB3 . . 4.550 3.705 3.172 3.995 . 0 0 "[ . 1 . 2]" 1
1597 1 45 TYR QD 1 62 MET HG3 . . 4.990 4.966 4.344 5.024 0.034 17 0 "[ . 1 . 2]" 1
1598 1 17 ALA MB 1 18 GLY QA . . 4.300 3.566 3.392 3.763 . 0 0 "[ . 1 . 2]" 1
1599 1 94 VAL HA 1 97 LEU HB3 . . 4.100 4.035 3.770 4.131 0.031 15 0 "[ . 1 . 2]" 1
1600 1 94 VAL HA 1 97 LEU HG . . 4.280 3.690 3.310 4.050 . 0 0 "[ . 1 . 2]" 1
1601 1 73 ILE MD 1 97 LEU MD2 . . 3.300 2.246 1.908 2.598 . 0 0 "[ . 1 . 2]" 1
1602 1 73 ILE HB 1 73 ILE MD . . 3.230 2.198 2.048 2.464 . 0 0 "[ . 1 . 2]" 1
1603 1 73 ILE MD 1 96 GLN HE22 . . 5.070 3.742 2.927 4.837 . 0 0 "[ . 1 . 2]" 1
1604 1 73 ILE MD 1 96 GLN HE21 . . 4.870 2.879 2.109 4.594 . 0 0 "[ . 1 . 2]" 1
1605 1 73 ILE MD 1 97 LEU H . . 4.060 2.911 2.630 3.229 . 0 0 "[ . 1 . 2]" 1
1606 1 64 ILE H 1 73 ILE MD . . 4.680 4.561 4.330 4.702 0.022 12 0 "[ . 1 . 2]" 1
1607 1 94 VAL QG 1 97 LEU MD1 . . 3.600 2.884 2.671 2.977 . 0 0 "[ . 1 . 2]" 1
1608 1 62 MET HG3 1 93 LEU MD2 . . 4.050 4.081 4.054 4.104 0.054 7 0 "[ . 1 . 2]" 1
1609 1 91 LEU H 1 91 LEU HG . . 4.380 4.309 2.992 4.458 0.078 16 0 "[ . 1 . 2]" 1
1610 1 91 LEU HG 1 92 SER H . . 4.970 4.070 3.829 5.021 0.051 13 0 "[ . 1 . 2]" 1
1611 1 88 SER HA 1 91 LEU HG . . 5.090 5.023 4.630 5.146 0.056 7 0 "[ . 1 . 2]" 1
1612 1 29 LYS QD 1 86 ALA MB . . 4.160 3.228 2.488 3.837 . 0 0 "[ . 1 . 2]" 1
1613 1 29 LYS HE2 1 86 ALA MB . . 3.580 3.156 2.016 3.968 0.388 1 0 "[ . 1 . 2]" 1
1614 1 86 ALA MB 1 89 CYS HB3 . . 4.320 4.244 3.955 4.349 0.029 17 0 "[ . 1 . 2]" 1
1615 1 62 MET HG2 1 93 LEU MD2 . . 3.590 2.845 2.699 3.072 . 0 0 "[ . 1 . 2]" 1
1616 1 63 THR HB 1 74 PHE HB2 . . 4.840 4.485 4.254 4.684 . 0 0 "[ . 1 . 2]" 1
1617 1 63 THR HB 1 72 ARG QD . . 4.740 4.701 4.344 4.831 0.091 12 0 "[ . 1 . 2]" 1
1618 1 64 ILE HA 1 64 ILE HG12 . . 4.110 3.685 3.653 3.703 . 0 0 "[ . 1 . 2]" 1
1619 1 63 THR HA 1 64 ILE HG12 . . 5.050 3.480 3.367 3.664 . 0 0 "[ . 1 . 2]" 1
1620 1 62 MET HG2 1 64 ILE HG13 . . 4.920 4.839 4.648 5.015 0.095 16 0 "[ . 1 . 2]" 1
1621 1 64 ILE HG13 1 66 ILE MD . . 4.260 3.854 3.606 4.011 . 0 0 "[ . 1 . 2]" 1
1622 1 97 LEU MD1 1 103 ILE MD . . 3.640 2.827 2.212 3.521 . 0 0 "[ . 1 . 2]" 1
1623 1 64 ILE HG12 1 97 LEU MD1 . . 5.320 4.740 4.472 4.988 . 0 0 "[ . 1 . 2]" 1
1624 1 32 LEU MD1 1 64 ILE HG12 . . 5.350 3.996 3.806 4.210 . 0 0 "[ . 1 . 2]" 1
1625 1 64 ILE HG13 1 73 ILE H . . 4.700 3.171 3.027 3.353 . 0 0 "[ . 1 . 2]" 1
1626 1 32 LEU MD1 1 64 ILE MG . . 3.940 3.374 3.178 3.653 . 0 0 "[ . 1 . 2]" 1
1627 1 41 ILE MG 1 64 ILE MG . . 3.430 3.339 3.023 3.635 0.205 4 0 "[ . 1 . 2]" 1
1628 1 62 MET HG2 1 64 ILE MG . . 3.790 2.952 2.724 3.105 . 0 0 "[ . 1 . 2]" 1
1629 1 63 THR HA 1 64 ILE MG . . 4.560 4.162 4.043 4.249 . 0 0 "[ . 1 . 2]" 1
1630 1 65 TYR QD 1 67 LYS HB2 . . 5.240 5.093 4.920 5.219 . 0 0 "[ . 1 . 2]" 1
1631 1 35 TYR QD 1 64 ILE MG . . 4.390 4.149 3.975 4.283 . 0 0 "[ . 1 . 2]" 1
1632 1 35 TYR QD 1 36 PHE QE . . 4.840 2.382 1.978 2.745 . 0 0 "[ . 1 . 2]" 1
1633 1 36 PHE H 1 36 PHE QE . . 4.890 4.723 4.665 4.799 . 0 0 "[ . 1 . 2]" 1
1634 1 64 ILE MD 1 97 LEU MD1 . . 3.360 2.430 2.287 2.607 . 0 0 "[ . 1 . 2]" 1
1635 1 32 LEU MD1 1 64 ILE MD . . 3.070 2.282 2.005 2.467 . 0 0 "[ . 1 . 2]" 1
1636 1 64 ILE MD 1 93 LEU MD1 . . 3.210 3.218 3.023 3.281 0.071 18 0 "[ . 1 . 2]" 1
1637 1 64 ILE HB 1 64 ILE MD . . 3.350 2.198 2.130 2.281 . 0 0 "[ . 1 . 2]" 1
1638 1 45 TYR H 1 62 MET ME . . 3.510 3.460 3.081 3.522 0.012 10 0 "[ . 1 . 2]" 1
1639 1 64 ILE H 1 64 ILE MD . . 4.000 3.905 3.744 3.974 . 0 0 "[ . 1 . 2]" 1
1640 1 64 ILE MD 1 73 ILE H . . 4.410 4.398 4.226 4.465 0.055 12 0 "[ . 1 . 2]" 1
1641 1 45 TYR HB2 1 62 MET ME . . 4.480 4.110 3.925 4.312 . 0 0 "[ . 1 . 2]" 1
1642 1 48 THR MG 1 50 VAL MG1 . . 3.390 2.122 1.973 2.276 . 0 0 "[ . 1 . 2]" 1
1643 1 63 THR MG 1 72 ARG HB2 . . 3.430 3.120 3.009 3.267 . 0 0 "[ . 1 . 2]" 1
1644 1 63 THR MG 1 74 PHE HB2 . . 3.900 1.976 1.860 2.351 . 0 0 "[ . 1 . 2]" 1
1645 1 61 GLU HA 1 76 ARG HA . . 3.590 1.979 1.947 2.093 . 0 0 "[ . 1 . 2]" 1
1646 1 45 TYR HA 1 62 MET HB3 . . 5.180 4.249 3.782 4.516 . 0 0 "[ . 1 . 2]" 1
1647 1 62 MET HG2 1 64 ILE HG12 . . 5.160 3.173 2.980 3.283 . 0 0 "[ . 1 . 2]" 1
1648 1 43 GLY HA2 1 44 GLU HB2 . . 5.500 5.136 4.201 5.688 0.188 13 0 "[ . 1 . 2]" 1
1649 1 43 GLY HA2 1 44 GLU HB3 . . 5.500 5.090 4.440 5.565 0.065 11 0 "[ . 1 . 2]" 1
1650 1 43 GLY HA2 1 44 GLU HG3 . . 5.240 4.711 4.174 5.361 0.121 16 0 "[ . 1 . 2]" 1
1651 1 62 MET HG2 1 63 THR HA . . 5.380 3.484 3.238 4.587 . 0 0 "[ . 1 . 2]" 1
1652 1 62 MET HG2 1 63 THR H . . 3.700 2.892 2.455 3.791 0.091 16 0 "[ . 1 . 2]" 1
1653 1 62 MET HG3 1 63 THR H . . 3.550 2.497 2.097 2.826 . 0 0 "[ . 1 . 2]" 1
1654 1 45 TYR HA 1 62 MET HG3 . . 5.160 4.009 3.708 4.753 . 0 0 "[ . 1 . 2]" 1
1655 1 93 LEU HG 1 94 VAL H . . 5.210 5.114 4.889 5.220 0.010 20 0 "[ . 1 . 2]" 1
1656 1 64 ILE MD 1 93 LEU HG . . 4.330 2.616 2.252 2.942 . 0 0 "[ . 1 . 2]" 1
1657 1 44 GLU HB2 1 62 MET ME . . 4.770 4.465 4.264 4.838 0.068 16 0 "[ . 1 . 2]" 1
1658 1 63 THR HA 1 64 ILE HG13 . . 5.180 4.031 3.963 4.111 . 0 0 "[ . 1 . 2]" 1
1659 1 63 THR HA 1 73 ILE H . . 4.950 4.961 4.806 5.001 0.051 11 0 "[ . 1 . 2]" 1
1660 1 60 ALA HA 1 61 GLU HA . . 5.380 4.345 4.341 4.347 . 0 0 "[ . 1 . 2]" 1
1661 1 61 GLU HB2 1 76 ARG QB . . 4.410 2.464 2.256 2.657 . 0 0 "[ . 1 . 2]" 1
1662 1 59 ILE MG 1 61 GLU HB3 . . 4.870 2.802 2.722 2.890 . 0 0 "[ . 1 . 2]" 1
1663 1 61 GLU HB3 1 76 ARG HG3 . . 4.970 2.081 1.981 2.266 . 0 0 "[ . 1 . 2]" 1
1664 1 60 ALA HA 1 61 GLU HB3 . . 5.260 4.636 4.556 4.698 . 0 0 "[ . 1 . 2]" 1
1665 1 61 GLU HG3 1 62 MET HA . . 5.320 3.942 3.643 4.661 . 0 0 "[ . 1 . 2]" 1
1666 1 61 GLU HG2 1 62 MET HA . . 5.210 4.878 4.770 5.355 0.145 6 0 "[ . 1 . 2]" 1
1667 1 40 LYS HA 1 41 ILE HG13 . . 4.870 4.949 4.915 4.992 0.122 1 0 "[ . 1 . 2]" 1
1668 1 31 ARG HA 1 34 GLN QB . . 4.080 2.098 1.968 2.441 . 0 0 "[ . 1 . 2]" 1
1669 1 36 PHE H 1 37 GLN HB2 . . 5.480 4.589 4.160 5.844 0.364 10 0 "[ . 1 . 2]" 1
1670 1 36 PHE HB2 1 37 GLN HB2 . . 5.170 4.782 4.464 5.431 0.261 10 0 "[ . 1 . 2]" 1
1671 1 33 ASN H 1 34 GLN QB . . 5.110 4.442 4.334 4.624 . 0 0 "[ . 1 . 2]" 1
1672 1 30 ALA MB 1 34 GLN HG3 . . 4.680 4.043 3.312 4.479 . 0 0 "[ . 1 . 2]" 1
1673 1 30 ALA MB 1 34 GLN HG2 . . 4.970 4.718 4.249 4.970 0.000 6 0 "[ . 1 . 2]" 1
1674 1 46 LYS QD 1 47 TYR H . . 5.110 4.115 3.409 4.840 . 0 0 "[ . 1 . 2]" 1
1675 1 46 LYS H 1 46 LYS QD . . 5.180 4.319 3.285 4.656 . 0 0 "[ . 1 . 2]" 1
1676 1 41 ILE HA 1 42 GLN HB3 . . 5.180 4.977 4.414 5.647 0.467 3 0 "[ . 1 . 2]" 1
1677 1 41 ILE HA 1 42 GLN QG . . 4.790 3.601 3.255 3.880 . 0 0 "[ . 1 . 2]" 1
1678 1 40 LYS H 1 41 ILE HA . . 5.180 5.043 4.915 5.096 . 0 0 "[ . 1 . 2]" 1
1679 1 40 LYS QB 1 41 ILE HA . . 4.420 4.281 4.250 4.301 . 0 0 "[ . 1 . 2]" 1
1680 1 36 PHE QD 1 41 ILE HG13 . . 5.010 4.642 4.465 4.955 . 0 0 "[ . 1 . 2]" 1
1681 1 40 LYS H 1 41 ILE HG13 . . 5.010 4.205 4.064 4.306 . 0 0 "[ . 1 . 2]" 1
1682 1 36 PHE HB3 1 42 GLN HA . . 4.650 3.268 2.958 3.399 . 0 0 "[ . 1 . 2]" 1
1683 1 36 PHE HB2 1 42 GLN HA . . 4.920 4.867 4.564 4.938 0.018 18 0 "[ . 1 . 2]" 1
1684 1 41 ILE MG 1 42 GLN QG . . 4.640 3.559 3.065 4.232 . 0 0 "[ . 1 . 2]" 1
1685 1 43 GLY HA3 1 44 GLU HA . . 5.210 4.465 4.437 4.517 . 0 0 "[ . 1 . 2]" 1
1686 1 59 ILE MG 1 60 ALA MB . . 4.410 4.325 4.206 4.372 . 0 0 "[ . 1 . 2]" 1
1687 1 60 ALA MB 1 86 ALA MB . . 4.240 3.196 2.862 3.531 . 0 0 "[ . 1 . 2]" 1
1688 1 45 TYR QE 1 89 CYS HG . . 4.200 3.752 3.074 4.179 . 0 0 "[ . 1 . 2]" 1
1689 1 45 TYR QD 1 89 CYS HG . . 4.660 3.146 2.327 4.390 . 0 0 "[ . 1 . 2]" 1
1690 1 60 ALA HA 1 61 GLU HG2 . . 5.210 4.034 3.855 5.536 0.326 6 0 "[ . 1 . 2]" 1
1691 1 47 TYR HA 1 82 LYS HG2 . . 5.320 5.054 4.638 5.335 0.015 7 0 "[ . 1 . 2]" 1
1692 1 46 LYS HA 1 47 TYR HA . . 4.610 4.399 4.376 4.407 . 0 0 "[ . 1 . 2]" 1
1693 1 48 THR HB 1 58 PHE HA . . 5.110 4.968 4.764 5.103 . 0 0 "[ . 1 . 2]" 1
1694 1 47 TYR HA 1 48 THR HB . . 4.920 4.392 4.314 4.478 . 0 0 "[ . 1 . 2]" 1
1695 1 48 THR HB 1 59 ILE HG12 . . 5.350 4.904 4.788 4.995 . 0 0 "[ . 1 . 2]" 1
1696 1 49 GLN QB 1 56 ARG HD2 . . 4.770 4.296 3.721 4.770 . 0 0 "[ . 1 . 2]" 1
1697 1 49 GLN HG3 1 56 ARG HD2 . . 5.010 2.587 1.990 3.267 . 0 0 "[ . 1 . 2]" 1
1698 1 56 ARG HD2 1 58 PHE HZ . . 4.520 3.726 2.793 4.568 0.048 13 0 "[ . 1 . 2]" 1
1699 1 49 GLN HE21 1 56 ARG HD2 . . 4.530 3.483 1.939 4.252 . 0 0 "[ . 1 . 2]" 1
1700 1 56 ARG H 1 56 ARG HD2 . . 5.140 4.633 4.301 5.207 0.067 15 0 "[ . 1 . 2]" 1
1701 1 56 ARG H 1 56 ARG HD3 . . 4.990 4.669 4.600 4.770 . 0 0 "[ . 1 . 2]" 1
1702 1 56 ARG HA 1 56 ARG HD3 . . 4.600 4.452 2.466 5.067 0.467 8 0 "[ . 1 . 2]" 1
1703 1 49 GLN HA 1 56 ARG HD2 . . 5.260 4.920 3.985 5.299 0.039 18 0 "[ . 1 . 2]" 1
1704 1 49 GLN HA 1 56 ARG HD3 . . 5.450 4.845 4.410 5.303 . 0 0 "[ . 1 . 2]" 1
1705 1 49 GLN HE21 1 56 ARG HD3 . . 5.240 2.372 1.962 3.551 . 0 0 "[ . 1 . 2]" 1
1706 1 49 GLN QB 1 56 ARG HD3 . . 4.900 4.113 3.830 4.932 0.032 13 0 "[ . 1 . 2]" 1
1707 1 49 GLN QB 1 50 VAL MG2 . . 5.140 4.987 4.884 5.047 . 0 0 "[ . 1 . 2]" 1
1708 1 50 VAL MG2 1 59 ILE HG13 . . 3.380 2.877 2.219 3.400 0.020 15 0 "[ . 1 . 2]" 1
1709 1 50 VAL MG2 1 59 ILE HB . . 4.260 3.705 3.428 4.034 . 0 0 "[ . 1 . 2]" 1
1710 1 48 THR MG 1 50 VAL MG2 . . 3.940 3.754 3.154 3.941 0.001 10 0 "[ . 1 . 2]" 1
1711 1 50 VAL MG2 1 57 SER QB . . 4.080 2.761 2.206 3.431 . 0 0 "[ . 1 . 2]" 1
1712 1 50 VAL MG2 1 51 GLY HA2 . . 4.500 4.449 4.107 4.540 0.040 2 0 "[ . 1 . 2]" 1
1713 1 50 VAL MG2 1 57 SER H . . 4.080 2.739 2.554 2.933 . 0 0 "[ . 1 . 2]" 1
1714 1 49 GLN HA 1 49 GLN HG2 . . 4.140 2.512 2.343 3.021 . 0 0 "[ . 1 . 2]" 1
1715 1 49 GLN HE22 1 53 ASP HA . . 4.400 4.040 3.461 4.789 0.389 13 0 "[ . 1 . 2]" 1
1716 1 49 GLN HE21 1 53 ASP HA . . 4.900 3.854 3.274 4.687 . 0 0 "[ . 1 . 2]" 1
1717 1 50 VAL HA 1 51 GLY HA3 . . 5.070 4.662 4.587 4.761 . 0 0 "[ . 1 . 2]" 1
1718 1 48 THR MG 1 50 VAL HA . . 5.380 4.415 4.135 4.790 . 0 0 "[ . 1 . 2]" 1
1719 1 75 ALA MB 1 77 GLU HG3 . . 4.790 4.393 3.982 4.743 . 0 0 "[ . 1 . 2]" 1
1720 1 50 VAL HB 1 51 GLY HA3 . . 4.780 4.202 4.107 4.286 . 0 0 "[ . 1 . 2]" 1
1721 1 77 GLU H 1 77 GLU HG3 . . 4.780 3.798 3.380 4.174 . 0 0 "[ . 1 . 2]" 1
1722 1 50 VAL MG1 1 58 PHE HA . . 5.010 4.646 4.450 4.751 . 0 0 "[ . 1 . 2]" 1
1723 1 50 VAL MG1 1 57 SER H . . 4.890 4.877 4.793 4.939 0.049 15 0 "[ . 1 . 2]" 1
1724 1 52 PRO HB3 1 55 ASN H . . 5.320 4.568 4.500 4.606 . 0 0 "[ . 1 . 2]" 1
1725 1 52 PRO HG2 1 53 ASP H . . 5.320 4.916 4.817 5.136 . 0 0 "[ . 1 . 2]" 1
1726 1 51 GLY H 1 52 PRO HD2 . . 5.110 5.003 4.984 5.022 . 0 0 "[ . 1 . 2]" 1
1727 1 53 ASP HB2 1 55 ASN H . . 5.210 5.322 4.589 5.808 0.598 17 1 "[ . 1 . + 2]" 1
1728 1 52 PRO HA 1 53 ASP HB2 . . 4.990 4.649 4.453 4.972 . 0 0 "[ . 1 . 2]" 1
1729 1 53 ASP HB3 1 56 ARG QG . . 5.050 4.919 3.896 5.930 0.880 16 6 "[ -*** 1 .+ *2]" 1
1730 1 52 PRO HG2 1 54 HIS HD2 . . 5.410 4.640 3.731 5.145 . 0 0 "[ . 1 . 2]" 1
1731 1 49 GLN HE21 1 56 ARG QB . . 4.770 2.330 1.787 3.755 . 0 0 "[ . 1 . 2]" 1
1732 1 49 GLN HE21 1 56 ARG QG . . 4.870 3.603 2.433 4.216 . 0 0 "[ . 1 . 2]" 1
1733 1 55 ASN H 1 56 ARG QG . . 5.180 4.170 3.425 4.836 . 0 0 "[ . 1 . 2]" 1
1734 1 58 PHE QD 1 82 LYS H . . 5.320 4.145 3.083 4.707 . 0 0 "[ . 1 . 2]" 1
1735 1 47 TYR HA 1 58 PHE QD . . 5.450 4.440 3.759 5.462 0.012 13 0 "[ . 1 . 2]" 1
1736 1 58 PHE QE 1 82 LYS HG3 . . 5.110 4.394 3.992 4.712 . 0 0 "[ . 1 . 2]" 1
1737 1 56 ARG HD2 1 58 PHE QE . . 5.260 2.914 1.999 4.139 . 0 0 "[ . 1 . 2]" 1
1738 1 58 PHE HB3 1 82 LYS HG2 . . 5.500 3.350 2.790 3.713 . 0 0 "[ . 1 . 2]" 1
1739 1 47 TYR HA 1 59 ILE MG . . 5.240 4.253 4.167 4.377 . 0 0 "[ . 1 . 2]" 1
1740 1 59 ILE MG 1 78 HIS HD2 . . 5.260 4.427 2.296 5.161 . 0 0 "[ . 1 . 2]" 1
1741 1 62 MET HG3 1 64 ILE MG . . 4.120 3.342 2.898 3.533 . 0 0 "[ . 1 . 2]" 1
1742 1 65 TYR HB2 1 72 ARG HB2 . . 4.920 3.169 3.048 3.310 . 0 0 "[ . 1 . 2]" 1
1743 1 65 TYR HB2 1 72 ARG HG3 . . 4.940 4.949 4.802 4.992 0.052 11 0 "[ . 1 . 2]" 1
1744 1 16 ASN HB3 1 19 LEU QD . . 4.270 3.576 2.851 4.177 . 0 0 "[ . 1 . 2]" 1
1745 1 65 TYR QE 1 66 ILE HA . . 5.240 4.540 4.388 4.701 . 0 0 "[ . 1 . 2]" 1
1746 1 35 TYR QE 1 102 VAL QG . . 3.020 2.876 2.725 3.019 . 0 0 "[ . 1 . 2]" 1
1747 1 35 TYR QE 1 97 LEU MD1 . . 4.100 3.866 3.440 4.098 . 0 0 "[ . 1 . 2]" 1
1748 1 35 TYR HA 1 35 TYR QE . . 4.810 4.815 4.746 4.893 0.083 14 0 "[ . 1 . 2]" 1
1749 1 67 LYS HA 1 67 LYS HG2 . . 4.020 3.539 3.535 3.552 . 0 0 "[ . 1 . 2]" 1
1750 1 67 LYS HA 1 67 LYS HG3 . . 4.160 4.116 4.084 4.178 0.018 19 0 "[ . 1 . 2]" 1
1751 1 66 ILE HA 1 67 LYS HA . . 4.810 4.360 4.347 4.373 . 0 0 "[ . 1 . 2]" 1
1752 1 66 ILE H 1 67 LYS HA . . 5.290 4.838 4.808 4.892 . 0 0 "[ . 1 . 2]" 1
1753 1 66 ILE HA 1 67 LYS HB3 . . 4.820 4.687 4.646 4.777 . 0 0 "[ . 1 . 2]" 1
1754 1 66 ILE HA 1 67 LYS HG2 . . 5.160 3.864 3.799 3.937 . 0 0 "[ . 1 . 2]" 1
1755 1 36 PHE HB2 1 37 GLN HA . . 4.890 4.368 4.279 4.453 . 0 0 "[ . 1 . 2]" 1
1756 1 36 PHE HB3 1 37 GLN HA . . 4.990 4.387 4.295 4.448 . 0 0 "[ . 1 . 2]" 1
1757 1 37 GLN HA 1 37 GLN HE21 . . 5.050 4.112 2.834 5.027 . 0 0 "[ . 1 . 2]" 1
1758 1 67 LYS HG3 1 68 GLN HA . . 4.870 4.242 4.095 4.608 . 0 0 "[ . 1 . 2]" 1
1759 1 68 GLN HA 1 70 GLY H . . 4.650 4.605 4.263 4.681 0.031 17 0 "[ . 1 . 2]" 1
1760 1 68 GLN QG 1 69 LEU HB3 . . 4.400 4.484 4.330 4.581 0.181 15 0 "[ . 1 . 2]" 1
1761 1 73 ILE HB 1 96 GLN HE21 . . 5.290 3.224 2.355 4.598 . 0 0 "[ . 1 . 2]" 1
1762 1 75 ALA MB 1 77 GLU H . . 4.460 4.186 3.866 4.464 0.004 12 0 "[ . 1 . 2]" 1
1763 1 61 GLU HG3 1 76 ARG QB . . 4.890 4.656 4.413 5.186 0.296 6 0 "[ . 1 . 2]" 1
1764 1 59 ILE HG13 1 78 HIS QB . . 4.790 2.506 1.969 4.173 . 0 0 "[ . 1 . 2]" 1
1765 1 79 GLY HA2 1 81 ASN H . . 5.410 4.936 4.256 5.334 . 0 0 "[ . 1 . 2]" 1
1766 1 79 GLY HA2 1 85 ALA H . . 5.260 4.141 3.848 4.557 . 0 0 "[ . 1 . 2]" 1
1767 1 57 SER HA 1 80 SER HA . . 4.700 3.946 3.443 4.374 . 0 0 "[ . 1 . 2]" 1
1768 1 58 PHE H 1 80 SER HA . . 4.710 4.414 3.567 4.718 0.008 10 0 "[ . 1 . 2]" 1
1769 1 80 SER QB 1 84 LEU HB2 . . 4.680 3.370 2.971 4.631 . 0 0 "[ . 1 . 2]" 1
1770 1 81 ASN H 1 85 ALA MB . . 4.840 4.136 3.617 4.368 . 0 0 "[ . 1 . 2]" 1
1771 1 58 PHE H 1 85 ALA MB . . 4.710 4.221 4.000 4.504 . 0 0 "[ . 1 . 2]" 1
1772 1 84 LEU H 1 85 ALA MB . . 4.820 4.583 4.237 4.657 . 0 0 "[ . 1 . 2]" 1
1773 1 58 PHE QD 1 82 LYS HG2 . . 4.740 3.949 3.407 4.298 . 0 0 "[ . 1 . 2]" 1
1774 1 83 LYS QD 1 84 LEU H . . 5.070 4.285 2.795 4.827 . 0 0 "[ . 1 . 2]" 1
1775 1 29 LYS HE3 1 86 ALA MB . . 3.960 2.365 1.960 3.948 . 0 0 "[ . 1 . 2]" 1
1776 1 79 GLY HA3 1 84 LEU HB2 . . 4.820 3.638 3.055 4.965 0.145 12 0 "[ . 1 . 2]" 1
1777 1 79 GLY HA3 1 84 LEU HB3 . . 4.920 3.177 2.459 4.171 . 0 0 "[ . 1 . 2]" 1
1778 1 79 GLY H 1 85 ALA HA . . 4.840 2.517 2.114 3.056 . 0 0 "[ . 1 . 2]" 1
1779 1 87 GLN HA 1 91 LEU H . . 5.290 3.937 3.523 4.161 . 0 0 "[ . 1 . 2]" 1
1780 1 87 GLN HA 1 89 CYS H . . 5.160 4.636 4.150 4.924 . 0 0 "[ . 1 . 2]" 1
1781 1 25 LEU HB2 1 87 GLN QG . . 4.690 4.591 3.661 5.158 0.468 11 0 "[ . 1 . 2]" 1
1782 1 86 ALA MB 1 87 GLN QG . . 4.730 3.818 3.192 4.206 . 0 0 "[ . 1 . 2]" 1
1783 1 29 LYS QG 1 87 GLN QG . . 4.400 3.406 1.765 4.798 0.398 11 0 "[ . 1 . 2]" 1
1784 1 92 SER QB 1 93 LEU HG . . 4.890 4.749 4.712 4.777 . 0 0 "[ . 1 . 2]" 1
1785 1 89 CYS HA 1 92 SER QB . . 4.110 2.456 2.233 3.108 . 0 0 "[ . 1 . 2]" 1
1786 1 73 ILE HG13 1 93 LEU MD1 . . 3.570 2.224 1.949 2.804 . 0 0 "[ . 1 . 2]" 1
1787 1 74 PHE QD 1 93 LEU MD1 . . 4.950 4.591 4.455 4.679 . 0 0 "[ . 1 . 2]" 1
1788 1 93 LEU H 1 94 VAL HA . . 5.140 5.146 5.060 5.194 0.054 13 0 "[ . 1 . 2]" 1
1789 1 91 LEU QD 1 94 VAL QG . . 3.360 2.912 2.719 3.197 . 0 0 "[ . 1 . 2]" 1
1790 1 97 LEU HA 1 102 VAL HB . . 4.340 2.993 2.570 4.635 0.295 14 0 "[ . 1 . 2]" 1
1791 1 97 LEU H 1 100 LEU QD . . 4.570 4.246 3.847 4.492 . 0 0 "[ . 1 . 2]" 1
1792 1 32 LEU HA 1 97 LEU MD1 . . 4.870 4.053 3.861 4.366 . 0 0 "[ . 1 . 2]" 1
1793 1 23 TRP HE3 1 106 TYR QE . . 4.410 5.004 4.190 5.551 1.141 17 12 "[* *** -* ** * +* *]" 1
1794 1 97 LEU MD1 1 103 ILE MG . . 3.450 2.586 2.241 2.935 . 0 0 "[ . 1 . 2]" 1
1795 1 32 LEU HG 1 35 TYR QD . . 4.780 4.276 3.714 4.755 . 0 0 "[ . 1 . 2]" 1
1796 1 32 LEU HG 1 36 PHE QD . . 4.360 3.397 2.962 3.885 . 0 0 "[ . 1 . 2]" 1
1797 1 91 LEU H 1 94 VAL QG . . 4.900 3.425 3.250 3.843 . 0 0 "[ . 1 . 2]" 1
1798 1 96 GLN HA 1 99 HIS H . . 4.440 3.476 3.178 3.764 . 0 0 "[ . 1 . 2]" 1
1799 1 36 PHE QE 1 64 ILE MD . . 2.860 2.708 2.311 2.890 0.030 4 0 "[ . 1 . 2]" 1
1800 1 36 PHE HZ 1 64 ILE MD . . 2.840 2.685 2.317 2.859 0.019 8 0 "[ . 1 . 2]" 1
1801 1 22 ASN HB2 1 106 TYR H . . 4.580 3.832 3.371 4.565 . 0 0 "[ . 1 . 2]" 1
1802 1 22 ASN HB3 1 106 TYR H . . 4.570 4.546 4.368 4.633 0.063 17 0 "[ . 1 . 2]" 1
1803 1 64 ILE HB 1 66 ILE MD . . 3.880 2.960 2.860 3.031 . 0 0 "[ . 1 . 2]" 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 9
_Distance_constraint_stats_list.Viol_count 153
_Distance_constraint_stats_list.Viol_total 740.565
_Distance_constraint_stats_list.Viol_max 0.553
_Distance_constraint_stats_list.Viol_rms 0.1690
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2057
_Distance_constraint_stats_list.Viol_average_violations_only 0.2420
_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 23 TRP 2.605 0.143 15 0 "[ . 1 . 2]"
1 44 GLU 9.096 0.553 7 5 "[ . + -1 * * * 2]"
1 45 TYR 11.753 0.553 7 5 "[ . + -1 * * * 2]"
1 49 GLN 1.244 0.116 13 0 "[ . 1 . 2]"
1 50 VAL 9.351 0.442 17 0 "[ . 1 . 2]"
1 51 GLY 8.107 0.442 17 0 "[ . 1 . 2]"
1 57 SER 3.875 0.421 9 0 "[ . 1 . 2]"
1 58 PHE 3.875 0.421 9 0 "[ . 1 . 2]"
1 60 ALA 2.024 0.121 15 0 "[ . 1 . 2]"
1 98 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLU 7.420 0.538 16 1 "[ . 1 .+ 2]"
1 105 ALA 7.420 0.538 16 1 "[ . 1 .+ 2]"
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 23 TRP H 1 23 TRP HA . . 2.800 2.930 2.877 2.943 0.143 15 0 "[ . 1 . 2]" 2
2 1 57 SER H 1 58 PHE H . . 4.000 4.192 3.975 4.421 0.421 9 0 "[ . 1 . 2]" 2
3 1 45 TYR H 1 45 TYR HA . . 2.800 2.933 2.841 2.944 0.144 12 0 "[ . 1 . 2]" 2
4 1 49 GLN H 1 50 VAL H . . 4.500 4.558 4.476 4.616 0.116 13 0 "[ . 1 . 2]" 2
5 1 50 VAL H 1 51 GLY H . . 4.000 4.405 4.318 4.442 0.442 17 0 "[ . 1 . 2]" 2
6 1 60 ALA H 1 60 ALA HA . . 2.800 2.901 2.889 2.921 0.121 15 0 "[ . 1 . 2]" 2
7 1 44 GLU H 1 45 TYR H . . 4.000 4.455 4.364 4.553 0.553 7 5 "[ . + -1 * * * 2]" 2
8 1 104 GLU H 1 105 ALA H . . 4.000 4.343 3.677 4.538 0.538 16 1 "[ . 1 .+ 2]" 2
9 1 98 TYR QE 1 105 ALA HA . . 5.200 3.800 2.200 5.171 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 148
_Distance_constraint_stats_list.Viol_count 2791
_Distance_constraint_stats_list.Viol_total 19474.529
_Distance_constraint_stats_list.Viol_max 0.963
_Distance_constraint_stats_list.Viol_rms 0.2035
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3290
_Distance_constraint_stats_list.Viol_average_violations_only 0.3489
_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 24 THR 105.264 0.963 7 20 [******+********-****]
1 25 LEU 38.911 0.671 16 14 "[** ** ** *** -*+ * *]"
1 26 GLU 39.876 0.823 7 17 "[*** * + ************]"
1 27 ASN 97.900 0.963 7 20 [******+********-****]
1 28 ALA 32.851 0.477 19 0 "[ . 1 . 2]"
1 29 LYS 84.379 0.774 19 20 [*************-****+*]
1 30 ALA 62.939 0.823 7 18 "[*** * +*************]"
1 31 ARG 21.634 0.392 12 0 "[ . 1 . 2]"
1 32 LEU 56.566 0.753 20 19 "[*************-* ***+]"
1 33 ASN 76.670 0.774 19 20 [*************-****+*]
1 34 GLN 38.362 0.639 8 3 "[ . + 1 .-* 2]"
1 35 TYR 54.889 0.602 8 20 [***-***+************]
1 36 PHE 40.111 0.753 20 19 "[*************-* ***+]"
1 37 GLN 31.202 0.603 8 13 "[-* .**+ *****. ** *]"
1 38 LYS 15.299 0.519 17 1 "[ . 1 . + 2]"
1 39 GLU 42.288 0.602 8 20 [***-***+************]
1 60 ALA 46.090 0.745 17 20 [**************-*+***]
1 62 MET 46.848 0.579 12 16 "[** **** ** +*-* ****]"
1 64 ILE 54.378 0.615 16 16 "[** ****** *-**+***2]"
1 66 ILE 8.399 0.325 14 0 "[ . 1 . 2]"
1 71 ARG 8.399 0.325 14 0 "[ . 1 . 2]"
1 73 ILE 54.378 0.615 16 16 "[** ****** *-**+***2]"
1 75 ALA 46.848 0.579 12 16 "[** **** ** +*-* ****]"
1 77 GLU 46.090 0.745 17 20 [**************-*+***]
1 81 ASN 27.106 0.666 15 13 "[****.* *1* **+ *- *]"
1 82 LYS 13.015 0.347 10 0 "[ . 1 . 2]"
1 83 LYS 15.095 0.638 12 1 "[ . 1 + . 2]"
1 84 LEU 26.674 0.576 1 9 "[+* . **- * * **]"
1 85 ALA 52.543 0.666 15 17 "[****.* *******+ *-**]"
1 86 ALA 33.147 0.550 16 1 "[ . 1 .+ 2]"
1 87 GLN 48.554 0.741 16 17 "[****- ********+** *]"
1 88 SER 50.117 0.577 13 10 "[** . **-+ * * **]"
1 89 CYS 66.321 0.757 15 20 [****-*********+*****]
1 90 ALA 33.655 0.550 16 1 "[ . 1 .+ 2]"
1 91 LEU 44.142 0.741 16 16 "[****- **** ***+** *]"
1 92 SER 72.252 0.812 12 20 [*******-***+********]
1 93 LEU 52.564 0.757 15 20 [****-*********+*****]
1 94 VAL 39.126 0.585 14 3 "[ . * 1 +- 2]"
1 95 ARG 36.059 0.666 14 5 "[* . * 1 *+. *2]"
1 96 GLN 69.242 0.812 12 20 [*******-***+********]
1 97 LEU 28.770 0.408 19 0 "[ . 1 . 2]"
1 98 TYR 25.602 0.585 14 3 "[ . * 1 +- 2]"
1 99 HIS 25.375 0.666 14 5 "[* . * 1 *+. *2]"
1 100 LEU 20.434 0.526 12 1 "[ . 1 + . 2]"
1 101 GLY 17.089 0.408 19 0 "[ . 1 . 2]"
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 66 ILE H 1 71 ARG O . . 1.700 1.674 1.638 1.785 0.085 14 0 "[ . 1 . 2]" 3
2 1 66 ILE H 1 71 ARG C . . 2.600 2.814 2.783 2.925 0.325 14 0 "[ . 1 . 2]" 3
3 1 66 ILE N 1 71 ARG O . . 2.600 2.607 2.565 2.711 0.111 14 0 "[ . 1 . 2]" 3
4 1 66 ILE N 1 71 ARG C . . 3.600 3.786 3.741 3.887 0.287 14 0 "[ . 1 . 2]" 3
5 1 64 ILE H 1 73 ILE O . . 1.700 1.947 1.859 2.245 0.545 12 1 "[ . 1 + . 2]" 3
6 1 64 ILE H 1 73 ILE C . . 2.600 3.125 3.067 3.215 0.615 16 16 "[** ****** *-**+***2]" 3
7 1 64 ILE N 1 73 ILE O . . 2.600 2.906 2.842 3.164 0.564 12 1 "[ . 1 + . 2]" 3
8 1 64 ILE N 1 73 ILE C . . 3.600 4.102 4.046 4.175 0.575 12 10 "[* . *- * + **** *2]" 3
9 1 64 ILE O 1 73 ILE H . . 1.700 1.896 1.819 2.033 0.333 7 0 "[ . 1 . 2]" 3
10 1 64 ILE C 1 73 ILE H . . 2.600 3.072 3.020 3.163 0.563 7 3 "[ . + 1 * - 2]" 3
11 1 64 ILE O 1 73 ILE N . . 2.600 2.726 2.680 2.802 0.202 7 0 "[ . 1 . 2]" 3
12 1 64 ILE C 1 73 ILE N . . 3.600 3.945 3.895 4.006 0.406 7 0 "[ . 1 . 2]" 3
13 1 62 MET H 1 75 ALA O . . 1.700 2.207 2.123 2.236 0.536 15 16 "[** **** ** **-+ ****]" 3
14 1 62 MET H 1 75 ALA C . . 2.600 2.883 2.844 2.968 0.368 12 0 "[ . 1 . 2]" 3
15 1 62 MET N 1 75 ALA O . . 2.600 2.992 2.888 3.097 0.497 6 0 "[ . 1 . 2]" 3
16 1 62 MET N 1 75 ALA C . . 3.600 3.818 3.745 3.926 0.326 12 0 "[ . 1 . 2]" 3
17 1 62 MET O 1 75 ALA H . . 1.700 1.919 1.709 2.224 0.524 13 1 "[ . 1 + . 2]" 3
18 1 62 MET C 1 75 ALA H . . 2.600 2.976 2.871 3.179 0.579 12 1 "[ . 1 + . 2]" 3
19 1 62 MET O 1 75 ALA N . . 2.600 2.694 2.566 2.893 0.293 13 0 "[ . 1 . 2]" 3
20 1 62 MET C 1 75 ALA N . . 3.600 3.851 3.783 3.979 0.379 12 0 "[ . 1 . 2]" 3
21 1 60 ALA O 1 77 GLU H . . 1.700 2.223 2.191 2.250 0.550 7 19 "[*****-+******** ****]" 3
22 1 60 ALA C 1 77 GLU H . . 2.600 3.273 3.196 3.345 0.745 17 20 [*-**************+***] 3
23 1 60 ALA O 1 77 GLU N . . 2.600 3.172 3.062 3.232 0.632 7 19 "[******+******** -***]" 3
24 1 60 ALA C 1 77 GLU N . . 3.600 4.137 4.086 4.181 0.581 10 18 "[*********+*** - ****]" 3
25 1 24 THR H 1 27 ASN OD1 . . 1.700 2.268 1.559 2.538 0.838 20 19 "[*-******** ********+]" 3
26 1 24 THR H 1 27 ASN CG . . 2.600 2.914 2.751 3.269 0.669 20 2 "[ . 1 . - +]" 3
27 1 24 THR N 1 27 ASN OD1 . . 2.600 3.208 2.529 3.535 0.935 20 19 "[********** *-******+]" 3
28 1 24 THR N 1 27 ASN CG . . 3.600 3.875 3.721 4.243 0.643 20 2 "[ . 1 . - +]" 3
29 1 24 THR OG1 1 27 ASN H . . 1.700 2.180 1.819 2.293 0.593 7 10 "[ * * + -* ***. **2]" 3
30 1 24 THR CB 1 27 ASN H . . 2.600 3.458 3.225 3.563 0.963 7 20 [******+************-] 3
31 1 24 THR OG1 1 27 ASN N . . 2.600 3.150 2.768 3.281 0.681 7 16 "[ *****+*** ****- **2]" 3
32 1 24 THR CB 1 27 ASN N . . 3.600 4.379 4.135 4.498 0.898 7 20 [******+************-] 3
33 1 24 THR O 1 28 ALA H . . 1.700 1.827 1.652 1.999 0.299 19 0 "[ . 1 . 2]" 3
34 1 24 THR C 1 28 ALA H . . 2.600 2.935 2.793 3.077 0.477 19 0 "[ . 1 . 2]" 3
35 1 24 THR O 1 28 ALA N . . 2.600 2.688 2.553 2.823 0.223 19 0 "[ . 1 . 2]" 3
36 1 24 THR C 1 28 ALA N . . 3.600 3.858 3.749 3.976 0.376 19 0 "[ . 1 . 2]" 3
37 1 25 LEU O 1 29 LYS H . . 1.700 2.107 1.943 2.224 0.524 11 4 "[ * 1+ -* 2]" 3
38 1 25 LEU C 1 29 LYS H . . 2.600 3.143 3.027 3.271 0.671 16 14 "[** ** ** *** -*+ * *]" 3
39 1 25 LEU O 1 29 LYS N . . 2.600 3.073 2.899 3.212 0.612 16 10 "[-* ** 1** **+ * 2]" 3
40 1 25 LEU C 1 29 LYS N . . 3.600 4.122 3.988 4.253 0.653 16 11 "[** *. *** -*+ * *]" 3
41 1 26 GLU O 1 30 ALA H . . 1.700 2.062 1.781 2.240 0.540 17 5 "[ . - 1** . + *]" 3
42 1 26 GLU C 1 30 ALA H . . 2.600 3.265 2.971 3.423 0.823 7 17 "[*** * + *********-**]" 3
43 1 26 GLU O 1 30 ALA N . . 2.600 2.986 2.732 3.181 0.581 17 6 "[ . * 1*-* . + *]" 3
44 1 26 GLU C 1 30 ALA N . . 3.600 4.181 3.940 4.364 0.764 17 14 "[*** - * *1*** **+ **]" 3
45 1 27 ASN O 1 31 ARG H . . 1.700 1.678 1.638 1.714 0.014 11 0 "[ . 1 . 2]" 3
46 1 27 ASN C 1 31 ARG H . . 2.600 2.853 2.769 2.918 0.318 9 0 "[ . 1 . 2]" 3
47 1 27 ASN O 1 31 ARG N . . 2.600 2.585 2.515 2.651 0.051 9 0 "[ . 1 . 2]" 3
48 1 27 ASN C 1 31 ARG N . . 3.600 3.791 3.710 3.869 0.269 9 0 "[ . 1 . 2]" 3
49 1 28 ALA O 1 32 LEU H . . 1.700 1.747 1.653 1.950 0.250 6 0 "[ . 1 . 2]" 3
50 1 28 ALA C 1 32 LEU H . . 2.600 2.925 2.823 3.026 0.426 10 0 "[ . 1 . 2]" 3
51 1 28 ALA O 1 32 LEU N . . 2.600 2.727 2.639 2.911 0.311 6 0 "[ . 1 . 2]" 3
52 1 28 ALA C 1 32 LEU N . . 3.600 3.913 3.815 4.022 0.422 10 0 "[ . 1 . 2]" 3
53 1 29 LYS O 1 33 ASN H . . 1.700 2.138 1.975 2.251 0.551 20 5 "[ ** . 1 -. *+]" 3
54 1 29 LYS C 1 33 ASN H . . 2.600 3.293 3.144 3.374 0.774 19 20 [***-**************+*] 3
55 1 29 LYS O 1 33 ASN N . . 2.600 3.082 2.902 3.235 0.635 20 10 "[*** -* 1 **. * *+]" 3
56 1 29 LYS C 1 33 ASN N . . 3.600 4.260 4.109 4.342 0.742 2 20 [*+***************-**] 3
57 1 30 ALA O 1 34 GLN H . . 1.700 1.902 1.717 2.211 0.511 16 1 "[ . 1 .+ 2]" 3
58 1 30 ALA C 1 34 GLN H . . 2.600 2.993 2.844 3.239 0.639 8 2 "[ . + 1 .- 2]" 3
59 1 30 ALA O 1 34 GLN N . . 2.600 2.806 2.596 3.094 0.494 8 0 "[ . 1 . 2]" 3
60 1 30 ALA C 1 34 GLN N . . 3.600 3.952 3.773 4.213 0.613 8 2 "[ . + 1 .- 2]" 3
61 1 31 ARG O 1 35 TYR H . . 1.700 1.742 1.656 1.853 0.153 12 0 "[ . 1 . 2]" 3
62 1 31 ARG C 1 35 TYR H . . 2.600 2.902 2.833 2.992 0.392 12 0 "[ . 1 . 2]" 3
63 1 31 ARG O 1 35 TYR N . . 2.600 2.635 2.576 2.715 0.115 17 0 "[ . 1 . 2]" 3
64 1 31 ARG C 1 35 TYR N . . 3.600 3.840 3.778 3.919 0.319 17 0 "[ . 1 . 2]" 3
65 1 32 LEU O 1 36 PHE H . . 1.700 2.135 1.813 2.242 0.542 17 9 "[* **. 1* -* + **]" 3
66 1 32 LEU C 1 36 PHE H . . 2.600 3.237 2.988 3.353 0.753 20 19 "[*********-***** ***+]" 3
67 1 32 LEU O 1 36 PHE N . . 2.600 2.983 2.667 3.084 0.484 17 0 "[ . 1 . 2]" 3
68 1 32 LEU C 1 36 PHE N . . 3.600 4.151 3.888 4.259 0.659 20 16 "[****** *1***** *-*+]" 3
69 1 33 ASN O 1 37 GLN H . . 1.700 2.132 1.852 2.241 0.541 7 6 "[-* .*+* 1 * . 2]" 3
70 1 33 ASN C 1 37 GLN H . . 2.600 3.126 2.921 3.203 0.603 8 13 "[** .**+ *****. *- *]" 3
71 1 33 ASN O 1 37 GLN N . . 2.600 2.842 2.690 3.015 0.415 7 0 "[ . 1 . 2]" 3
72 1 33 ASN C 1 37 GLN N . . 3.600 3.959 3.844 4.052 0.452 7 0 "[ . 1 . 2]" 3
73 1 34 GLN O 1 38 LYS H . . 1.700 1.762 1.683 1.972 0.272 7 0 "[ . 1 . 2]" 3
74 1 34 GLN C 1 38 LYS H . . 2.600 2.915 2.833 3.119 0.519 17 1 "[ . 1 . + 2]" 3
75 1 34 GLN O 1 38 LYS N . . 2.600 2.705 2.599 2.901 0.301 7 0 "[ . 1 . 2]" 3
76 1 34 GLN C 1 38 LYS N . . 3.600 3.879 3.778 4.081 0.481 17 0 "[ . 1 . 2]" 3
77 1 35 TYR O 1 39 GLU H . . 1.700 2.211 2.169 2.240 0.540 8 17 "[** -***+******.* ***]" 3
78 1 35 TYR C 1 39 GLU H . . 2.600 3.134 3.048 3.202 0.602 8 17 "[*******+***-**. ** *]" 3
79 1 35 TYR O 1 39 GLU N . . 2.600 3.159 3.130 3.181 0.581 1 20 [+*************-*****] 3
80 1 35 TYR C 1 39 GLU N . . 3.600 4.110 4.040 4.167 0.567 1 12 "[+* ***-**1 * . ** *]" 3
81 1 81 ASN O 1 85 ALA H . . 1.700 1.927 1.689 2.067 0.367 4 0 "[ . 1 . 2]" 3
82 1 81 ASN C 1 85 ALA H . . 2.600 3.124 2.836 3.266 0.666 15 13 "[****.* *1* **+ *- *]" 3
83 1 81 ASN O 1 85 ALA N . . 2.600 2.794 2.634 2.905 0.305 15 0 "[ . 1 . 2]" 3
84 1 81 ASN C 1 85 ALA N . . 3.600 4.010 3.802 4.123 0.523 15 1 "[ . 1 + 2]" 3
85 1 82 LYS O 1 86 ALA H . . 1.700 1.718 1.649 1.910 0.210 1 0 "[ . 1 . 2]" 3
86 1 82 LYS C 1 86 ALA H . . 2.600 2.887 2.789 2.947 0.347 10 0 "[ . 1 . 2]" 3
87 1 82 LYS O 1 86 ALA N . . 2.600 2.674 2.602 2.840 0.240 1 0 "[ . 1 . 2]" 3
88 1 82 LYS C 1 86 ALA N . . 3.600 3.860 3.780 3.940 0.340 10 0 "[ . 1 . 2]" 3
89 1 83 LYS O 1 87 GLN H . . 1.700 1.731 1.637 2.182 0.482 12 0 "[ . 1 . 2]" 3
90 1 83 LYS C 1 87 GLN H . . 2.600 2.917 2.791 3.238 0.638 12 1 "[ . 1 + . 2]" 3
91 1 83 LYS O 1 87 GLN N . . 2.600 2.694 2.605 3.157 0.557 12 1 "[ . 1 + . 2]" 3
92 1 83 LYS C 1 87 GLN N . . 3.600 3.893 3.778 4.237 0.637 12 1 "[ . 1 + . 2]" 3
93 1 84 LEU O 1 88 SER H . . 1.700 1.913 1.712 2.032 0.332 15 0 "[ . 1 . 2]" 3
94 1 84 LEU C 1 88 SER H . . 2.600 3.076 2.897 3.176 0.576 1 9 "[+* . *-* * * **]" 3
95 1 84 LEU O 1 88 SER N . . 2.600 2.822 2.664 2.931 0.331 2 0 "[ . 1 . 2]" 3
96 1 84 LEU C 1 88 SER N . . 3.600 4.022 3.876 4.125 0.525 2 3 "[*+ . 1 - . 2]" 3
97 1 85 ALA O 1 89 CYS H . . 1.700 1.881 1.683 2.133 0.433 6 0 "[ . 1 . 2]" 3
98 1 85 ALA C 1 89 CYS H . . 2.600 3.031 2.825 3.224 0.624 12 8 "[ .* * *-+* . **]" 3
99 1 85 ALA O 1 89 CYS N . . 2.600 2.844 2.626 3.088 0.488 8 0 "[ . 1 . 2]" 3
100 1 85 ALA C 1 89 CYS N . . 3.600 4.015 3.802 4.198 0.598 12 6 "[ . * *-+ . **]" 3
101 1 86 ALA O 1 90 ALA H . . 1.700 1.800 1.686 1.983 0.283 16 0 "[ . 1 . 2]" 3
102 1 86 ALA C 1 90 ALA H . . 2.600 2.992 2.897 3.150 0.550 16 1 "[ . 1 .+ 2]" 3
103 1 86 ALA O 1 90 ALA N . . 2.600 2.753 2.658 2.892 0.292 16 0 "[ . 1 . 2]" 3
104 1 86 ALA C 1 90 ALA N . . 3.600 3.961 3.867 4.099 0.499 16 0 "[ . 1 . 2]" 3
105 1 87 GLN O 1 91 LEU H . . 1.700 1.995 1.764 2.258 0.558 16 3 "[ . 1 .+ - *]" 3
106 1 87 GLN C 1 91 LEU H . . 2.600 3.167 2.989 3.341 0.741 16 16 "[****- **** ***+** *]" 3
107 1 87 GLN O 1 91 LEU N . . 2.600 2.918 2.719 3.226 0.626 16 2 "[ . 1 .+ - 2]" 3
108 1 87 GLN C 1 91 LEU N . . 3.600 4.093 3.934 4.275 0.675 16 9 "[ ** . - ***+ * *]" 3
109 1 88 SER O 1 92 SER H . . 1.700 1.925 1.758 2.164 0.464 13 0 "[ . 1 . 2]" 3
110 1 88 SER C 1 92 SER H . . 2.600 3.011 2.863 3.177 0.577 13 2 "[ . 1 + - 2]" 3
111 1 88 SER O 1 92 SER N . . 2.600 2.792 2.592 3.145 0.545 13 1 "[ . 1 + . 2]" 3
112 1 88 SER C 1 92 SER N . . 3.600 3.945 3.782 4.175 0.575 13 2 "[ . 1 + - 2]" 3
113 1 89 CYS O 1 93 LEU H . . 1.700 2.122 2.002 2.209 0.509 15 2 "[ - 1 + 2]" 3
114 1 89 CYS C 1 93 LEU H . . 2.600 3.252 3.132 3.357 0.757 15 20 [**********-***+*****] 3
115 1 89 CYS O 1 93 LEU N . . 2.600 2.995 2.839 3.125 0.525 15 1 "[ . 1 + 2]" 3
116 1 89 CYS C 1 93 LEU N . . 3.600 4.176 4.034 4.310 0.710 15 18 "[*****-**** ***+* ***]" 3
117 1 90 ALA O 1 94 VAL H . . 1.700 1.736 1.637 1.837 0.137 19 0 "[ . 1 . 2]" 3
118 1 90 ALA C 1 94 VAL H . . 2.600 2.867 2.758 2.954 0.354 19 0 "[ . 1 . 2]" 3
119 1 90 ALA O 1 94 VAL N . . 2.600 2.705 2.611 2.800 0.200 19 0 "[ . 1 . 2]" 3
120 1 90 ALA C 1 94 VAL N . . 3.600 3.858 3.751 3.945 0.345 19 0 "[ . 1 . 2]" 3
121 1 91 LEU O 1 95 ARG H . . 1.700 1.720 1.634 1.847 0.147 15 0 "[ . 1 . 2]" 3
122 1 91 LEU C 1 95 ARG H . . 2.600 2.833 2.685 2.913 0.313 17 0 "[ . 1 . 2]" 3
123 1 91 LEU O 1 95 ARG N . . 2.600 2.666 2.459 2.767 0.167 17 0 "[ . 1 . 2]" 3
124 1 91 LEU C 1 95 ARG N . . 3.600 3.795 3.581 3.894 0.294 17 0 "[ . 1 . 2]" 3
125 1 92 SER O 1 96 GLN H . . 1.700 2.213 2.151 2.294 0.594 13 15 "[*** * -****+*** **2]" 3
126 1 92 SER C 1 96 GLN H . . 2.600 3.275 3.088 3.412 0.812 12 19 "[***********+ *-*****]" 3
127 1 92 SER O 1 96 GLN N . . 2.600 3.193 3.140 3.256 0.656 19 20 [******************+-] 3
128 1 92 SER C 1 96 GLN N . . 3.600 4.260 4.072 4.348 0.748 19 19 "[************ *-***+*]" 3
129 1 93 LEU O 1 97 LEU H . . 1.700 1.685 1.602 1.792 0.092 19 0 "[ . 1 . 2]" 3
130 1 93 LEU C 1 97 LEU H . . 2.600 2.861 2.785 3.003 0.403 19 0 "[ . 1 . 2]" 3
131 1 93 LEU O 1 97 LEU N . . 2.600 2.658 2.566 2.791 0.191 19 0 "[ . 1 . 2]" 3
132 1 93 LEU C 1 97 LEU N . . 3.600 3.851 3.762 3.994 0.394 19 0 "[ . 1 . 2]" 3
133 1 94 VAL O 1 98 TYR H . . 1.700 1.862 1.783 1.978 0.278 14 0 "[ . 1 . 2]" 3
134 1 94 VAL C 1 98 TYR H . . 2.600 3.057 2.980 3.185 0.585 14 3 "[ . * 1 +- 2]" 3
135 1 94 VAL O 1 98 TYR N . . 2.600 2.829 2.738 2.959 0.359 14 0 "[ . 1 . 2]" 3
136 1 94 VAL C 1 98 TYR N . . 3.600 4.032 3.955 4.143 0.543 14 2 "[ . - 1 +. 2]" 3
137 1 95 ARG O 1 99 HIS H . . 1.700 1.879 1.693 2.207 0.507 14 1 "[ . 1 +. 2]" 3
138 1 95 ARG C 1 99 HIS H . . 2.600 3.045 2.864 3.266 0.666 14 5 "[* . * 1 -+. *2]" 3
139 1 95 ARG O 1 99 HIS N . . 2.600 2.831 2.671 3.097 0.497 14 0 "[ . 1 . 2]" 3
140 1 95 ARG C 1 99 HIS N . . 3.600 4.014 3.861 4.223 0.623 14 4 "[ . - 1 *+. *2]" 3
141 1 96 GLN O 1 100 LEU H . . 1.700 1.799 1.704 2.016 0.316 12 0 "[ . 1 . 2]" 3
142 1 96 GLN C 1 100 LEU H . . 2.600 2.991 2.882 3.126 0.526 12 1 "[ . 1 + . 2]" 3
143 1 96 GLN O 1 100 LEU N . . 2.600 2.768 2.658 3.005 0.405 12 0 "[ . 1 . 2]" 3
144 1 96 GLN C 1 100 LEU N . . 3.600 3.963 3.828 4.106 0.506 12 1 "[ . 1 + . 2]" 3
145 1 97 LEU O 1 101 GLY H . . 1.700 1.778 1.693 1.927 0.227 9 0 "[ . 1 . 2]" 3
146 1 97 LEU C 1 101 GLY H . . 2.600 2.918 2.841 3.008 0.408 19 0 "[ . 1 . 2]" 3
147 1 97 LEU O 1 101 GLY N . . 2.600 2.747 2.673 2.853 0.253 12 0 "[ . 1 . 2]" 3
148 1 97 LEU C 1 101 GLY N . . 3.600 3.912 3.839 3.997 0.397 12 0 "[ . 1 . 2]" 3
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