NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402787 |
1wg1   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wg1
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 1370
_Distance_constraint_stats_list.Viol_count 721
_Distance_constraint_stats_list.Viol_total 2809.136
_Distance_constraint_stats_list.Viol_max 1.191
_Distance_constraint_stats_list.Viol_rms 0.0480
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.1948
_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 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ILE 26.147 1.191 3 20 [**+************-****]
1 9 LEU 0.700 0.165 1 0 "[ . 1 . 2]"
1 10 VAL 2.663 0.341 3 0 "[ . 1 . 2]"
1 11 LYS 5.444 0.931 3 5 "[ *+ . 1 * * -2]"
1 12 ASN 0.413 0.213 19 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PRO 0.533 0.139 4 0 "[ . 1 . 2]"
1 15 GLN 1.950 0.223 10 0 "[ . 1 . 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 4.547 0.513 18 2 "[ . - 1 . + 2]"
1 18 ASN 1.883 0.158 12 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLN 0.406 0.406 13 0 "[ . 1 . 2]"
1 21 GLU 11.612 0.513 18 2 "[ . - 1 . + 2]"
1 22 VAL 16.557 1.191 3 20 [**+*************-***]
1 23 HIS 0.090 0.048 17 0 "[ . 1 . 2]"
1 24 ASP 1.145 0.170 18 0 "[ . 1 . 2]"
1 25 LEU 2.589 0.227 15 0 "[ . 1 . 2]"
1 26 LEU 10.726 0.715 3 2 "[ + . 1 .- 2]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TYR 7.331 0.547 5 1 "[ + 1 . 2]"
1 30 ASP 0.025 0.019 4 0 "[ . 1 . 2]"
1 31 LEU 0.004 0.002 14 0 "[ . 1 . 2]"
1 32 LYS 0.256 0.095 2 0 "[ . 1 . 2]"
1 33 TYR 1.237 0.218 8 0 "[ . 1 . 2]"
1 34 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 TYR 4.474 0.379 7 0 "[ . 1 . 2]"
1 36 VAL 1.931 0.290 9 0 "[ . 1 . 2]"
1 37 ASP 2.547 0.379 7 0 "[ . 1 . 2]"
1 38 ARG 0.069 0.023 20 0 "[ . 1 . 2]"
1 39 ASN 0.004 0.003 7 0 "[ . 1 . 2]"
1 40 LYS 2.346 0.179 14 0 "[ . 1 . 2]"
1 41 ARG 4.292 0.223 10 0 "[ . 1 . 2]"
1 42 THR 1.763 0.309 7 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PHE 0.101 0.043 16 0 "[ . 1 . 2]"
1 45 VAL 2.111 0.281 14 0 "[ . 1 . 2]"
1 46 THR 5.587 0.239 14 0 "[ . 1 . 2]"
1 47 LEU 4.432 0.239 14 0 "[ . 1 . 2]"
1 48 LEU 0.094 0.089 6 0 "[ . 1 . 2]"
1 49 ASN 2.416 0.575 10 3 "[ . + * . -2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 2.369 0.575 10 3 "[ . + * . -2]"
1 52 GLN 0.052 0.025 15 0 "[ . 1 . 2]"
1 53 ALA 0.897 0.323 15 0 "[ . 1 . 2]"
1 54 GLN 10.389 0.545 20 2 "[ . -1 . +]"
1 55 ASN 7.627 0.547 5 1 "[ + 1 . 2]"
1 56 ALA 0.757 0.229 14 0 "[ . 1 . 2]"
1 57 ILE 19.330 0.751 13 2 "[ . 1 + . - 2]"
1 58 GLN 12.339 0.545 20 2 "[ . -1 . +]"
1 59 MET 9.874 0.751 13 2 "[ . 1 + . - 2]"
1 60 PHE 4.707 0.359 10 0 "[ . 1 . 2]"
1 61 HIS 3.476 0.290 19 0 "[ . 1 . 2]"
1 62 GLN 14.347 0.856 12 13 "[* *-. ** * +* ** ***]"
1 63 TYR 0.281 0.150 6 0 "[ . 1 . 2]"
1 64 SER 2.518 0.462 20 0 "[ . 1 . 2]"
1 65 PHE 1.567 0.320 8 0 "[ . 1 . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LYS 0.930 0.213 19 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 2.659 0.462 20 0 "[ . 1 . 2]"
1 71 ILE 4.843 0.931 3 5 "[ *+ . 1 * * -2]"
1 72 VAL 14.462 0.856 12 13 "[* *-. ** * +* ** ***]"
1 73 GLN 0.633 0.151 20 0 "[ . 1 . 2]"
1 74 LEU 17.492 1.123 4 13 "[ *+* ***1-* *** **]"
1 75 GLN 1.571 0.323 15 0 "[ . 1 . 2]"
1 76 PRO 0.088 0.087 17 0 "[ . 1 . 2]"
1 77 THR 0.132 0.087 17 0 "[ . 1 . 2]"
1 78 ASP 0.045 0.045 14 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.155 0.114 15 0 "[ . 1 . 2]"
1 81 LEU 0.155 0.114 15 0 "[ . 1 . 2]"
1 82 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 PRO 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 64 SER HB2 1 65 PHE H . . 5.120 4.445 4.202 4.565 . 0 0 "[ . 1 . 2]" 1
2 1 64 SER HB3 1 65 PHE H . . 5.120 4.292 4.063 4.489 . 0 0 "[ . 1 . 2]" 1
3 1 65 PHE H 1 65 PHE HB2 . . 3.840 3.164 2.982 3.284 . 0 0 "[ . 1 . 2]" 1
4 1 65 PHE H 1 65 PHE HB3 . . 4.030 2.992 2.801 3.122 . 0 0 "[ . 1 . 2]" 1
5 1 35 TYR H 1 35 TYR HB2 . . 3.990 3.006 2.860 3.280 . 0 0 "[ . 1 . 2]" 1
6 1 35 TYR H 1 35 TYR HB3 . . 3.990 2.830 2.584 2.965 . 0 0 "[ . 1 . 2]" 1
7 1 35 TYR HA 1 36 VAL H . . 3.140 2.163 2.138 2.198 . 0 0 "[ . 1 . 2]" 1
8 1 47 LEU H 1 47 LEU HB3 . . 3.810 3.597 3.576 3.646 . 0 0 "[ . 1 . 2]" 1
9 1 47 LEU H 1 47 LEU MD2 . . 4.490 3.449 3.058 3.701 . 0 0 "[ . 1 . 2]" 1
10 1 10 VAL HB 1 43 ALA H . . 4.590 2.343 2.205 2.496 . 0 0 "[ . 1 . 2]" 1
11 1 37 ASP HA 1 38 ARG H . . 3.290 2.231 2.141 2.266 . 0 0 "[ . 1 . 2]" 1
12 1 38 ARG H 1 38 ARG HB2 . . 3.960 2.992 2.196 3.696 . 0 0 "[ . 1 . 2]" 1
13 1 70 LEU H 1 70 LEU HB3 . . 3.950 3.593 3.576 3.618 . 0 0 "[ . 1 . 2]" 1
14 1 70 LEU H 1 70 LEU MD2 . . 3.940 3.281 2.703 3.547 . 0 0 "[ . 1 . 2]" 1
15 1 33 TYR HA 1 34 CYS H . . 3.470 2.197 2.138 2.276 . 0 0 "[ . 1 . 2]" 1
16 1 11 LYS H 1 11 LYS HB2 . . 4.180 2.561 2.494 2.818 . 0 0 "[ . 1 . 2]" 1
17 1 11 LYS H 1 11 LYS HG2 . . 4.440 3.358 2.812 3.573 . 0 0 "[ . 1 . 2]" 1
18 1 11 LYS H 1 72 VAL MG2 . . 4.760 4.472 4.251 4.842 0.082 14 0 "[ . 1 . 2]" 1
19 1 10 VAL QG 1 11 LYS H . . 3.500 3.194 3.037 3.275 . 0 0 "[ . 1 . 2]" 1
20 1 11 LYS H 1 71 ILE HB . . 3.900 3.434 2.993 3.704 . 0 0 "[ . 1 . 2]" 1
21 1 36 VAL HA 1 44 PHE H . . 4.300 3.803 3.648 3.954 . 0 0 "[ . 1 . 2]" 1
22 1 44 PHE H 1 44 PHE HB3 . . 4.080 3.657 3.626 3.707 . 0 0 "[ . 1 . 2]" 1
23 1 44 PHE H 1 44 PHE HB2 . . 4.080 2.616 2.533 2.724 . 0 0 "[ . 1 . 2]" 1
24 1 42 THR MG 1 44 PHE H . . 5.200 4.011 3.824 4.180 . 0 0 "[ . 1 . 2]" 1
25 1 44 PHE H 1 45 VAL MG2 . . 5.450 4.299 4.140 4.433 . 0 0 "[ . 1 . 2]" 1
26 1 31 LEU H 1 31 LEU HG . . 4.050 3.838 3.324 4.012 . 0 0 "[ . 1 . 2]" 1
27 1 49 ASN HB2 1 51 GLU H . . 4.350 3.890 3.045 4.549 0.199 3 0 "[ . 1 . 2]" 1
28 1 49 ASN HB3 1 51 GLU H . . 4.350 3.484 2.663 4.925 0.575 10 3 "[ . + * . -2]" 1
29 1 51 GLU H 1 51 GLU HG2 . . 4.960 3.846 2.093 4.594 . 0 0 "[ . 1 . 2]" 1
30 1 51 GLU H 1 51 GLU HG3 . . 4.960 3.550 2.057 4.613 . 0 0 "[ . 1 . 2]" 1
31 1 65 PHE HB2 1 66 ARG H . . 4.970 4.489 4.332 4.555 . 0 0 "[ . 1 . 2]" 1
32 1 65 PHE HB3 1 66 ARG H . . 5.280 4.264 4.183 4.317 . 0 0 "[ . 1 . 2]" 1
33 1 66 ARG H 1 66 ARG HG3 . . 4.380 3.708 2.607 4.242 . 0 0 "[ . 1 . 2]" 1
34 1 74 LEU HA 1 75 GLN H . . 2.940 2.333 2.152 2.439 . 0 0 "[ . 1 . 2]" 1
35 1 75 GLN H 1 75 GLN HB3 . . 4.000 3.551 3.439 3.673 . 0 0 "[ . 1 . 2]" 1
36 1 75 GLN H 1 75 GLN HG2 . . 4.440 3.525 2.612 4.259 . 0 0 "[ . 1 . 2]" 1
37 1 75 GLN H 1 75 GLN HB2 . . 4.000 2.400 2.194 3.753 . 0 0 "[ . 1 . 2]" 1
38 1 8 ILE MG 1 75 GLN H . . 5.370 4.141 2.915 4.549 . 0 0 "[ . 1 . 2]" 1
39 1 57 ILE MD 1 75 GLN H . . 5.500 4.753 4.364 5.348 . 0 0 "[ . 1 . 2]" 1
40 1 31 LEU HA 1 32 LYS H . . 3.100 2.171 2.139 2.402 . 0 0 "[ . 1 . 2]" 1
41 1 53 ALA HA 1 56 ALA H . . 3.940 3.335 3.113 3.570 . 0 0 "[ . 1 . 2]" 1
42 1 56 ALA H 1 56 ALA MB . . 2.790 2.075 2.037 2.259 . 0 0 "[ . 1 . 2]" 1
43 1 70 LEU HA 1 71 ILE H . . 3.070 2.151 2.139 2.199 . 0 0 "[ . 1 . 2]" 1
44 1 12 ASN HB3 1 71 ILE H . . 4.440 2.386 2.005 2.906 . 0 0 "[ . 1 . 2]" 1
45 1 12 ASN HB2 1 71 ILE H . . 4.440 3.054 2.616 3.551 . 0 0 "[ . 1 . 2]" 1
46 1 70 LEU HB2 1 71 ILE H . . 4.530 4.249 4.051 4.389 . 0 0 "[ . 1 . 2]" 1
47 1 71 ILE H 1 71 ILE HB . . 3.390 2.481 2.397 2.572 . 0 0 "[ . 1 . 2]" 1
48 1 70 LEU HB3 1 71 ILE H . . 3.600 3.323 3.007 3.519 . 0 0 "[ . 1 . 2]" 1
49 1 71 ILE H 1 71 ILE HG12 . . 4.320 3.695 2.602 4.256 . 0 0 "[ . 1 . 2]" 1
50 1 71 ILE H 1 71 ILE MD . . 3.940 3.627 2.114 3.792 . 0 0 "[ . 1 . 2]" 1
51 1 9 LEU H 1 9 LEU HB3 . . 4.130 3.699 3.623 3.730 . 0 0 "[ . 1 . 2]" 1
52 1 9 LEU H 1 9 LEU HB2 . . 4.130 2.560 2.385 2.668 . 0 0 "[ . 1 . 2]" 1
53 1 45 VAL H 1 45 VAL HB . . 3.600 2.611 2.552 2.655 . 0 0 "[ . 1 . 2]" 1
54 1 43 ALA MB 1 45 VAL H . . 5.500 4.706 4.390 4.897 . 0 0 "[ . 1 . 2]" 1
55 1 45 VAL H 1 45 VAL MG1 . . 4.200 3.838 3.793 3.861 . 0 0 "[ . 1 . 2]" 1
56 1 24 ASP HB2 1 25 LEU H . . 4.250 3.274 2.577 3.993 . 0 0 "[ . 1 . 2]" 1
57 1 25 LEU H 1 25 LEU HB2 . . 3.280 2.542 2.401 2.694 . 0 0 "[ . 1 . 2]" 1
58 1 25 LEU H 1 25 LEU HB3 . . 3.280 2.469 2.328 2.612 . 0 0 "[ . 1 . 2]" 1
59 1 25 LEU H 1 25 LEU MD2 . . 4.440 4.156 4.074 4.201 . 0 0 "[ . 1 . 2]" 1
60 1 25 LEU H 1 25 LEU HG . . 4.590 4.450 4.360 4.522 . 0 0 "[ . 1 . 2]" 1
61 1 33 TYR HB3 1 46 THR H . . 4.220 3.866 3.256 4.161 . 0 0 "[ . 1 . 2]" 1
62 1 61 HIS HA 1 62 GLN H . . 3.200 2.168 2.140 2.262 . 0 0 "[ . 1 . 2]" 1
63 1 61 HIS HB3 1 62 GLN H . . 4.620 4.181 3.987 4.261 . 0 0 "[ . 1 . 2]" 1
64 1 60 PHE HA 1 63 TYR H . . 4.950 4.792 4.422 4.942 . 0 0 "[ . 1 . 2]" 1
65 1 61 HIS HA 1 63 TYR H . . 4.170 3.803 3.500 3.983 . 0 0 "[ . 1 . 2]" 1
66 1 63 TYR H 1 63 TYR HB3 . . 3.180 2.309 2.214 2.362 . 0 0 "[ . 1 . 2]" 1
67 1 63 TYR H 1 63 TYR HB2 . . 3.180 2.951 2.790 3.047 . 0 0 "[ . 1 . 2]" 1
68 1 63 TYR H 1 70 LEU HB2 . . 3.980 2.980 2.701 3.216 . 0 0 "[ . 1 . 2]" 1
69 1 9 LEU HB2 1 10 VAL H . . 4.440 4.105 3.989 4.180 . 0 0 "[ . 1 . 2]" 1
70 1 9 LEU HB3 1 10 VAL H . . 4.440 3.192 2.937 3.334 . 0 0 "[ . 1 . 2]" 1
71 1 73 GLN HA 1 74 LEU H . . 2.940 2.511 2.356 2.601 . 0 0 "[ . 1 . 2]" 1
72 1 73 GLN HB3 1 74 LEU H . . 3.670 2.530 2.031 3.705 0.035 14 0 "[ . 1 . 2]" 1
73 1 73 GLN HB2 1 74 LEU H . . 3.670 3.194 2.209 3.643 . 0 0 "[ . 1 . 2]" 1
74 1 74 LEU H 1 74 LEU HG . . 3.320 3.880 2.880 4.443 1.123 4 13 "[ *+* ***1-* *** **]" 1
75 1 74 LEU H 1 74 LEU HB3 . . 3.650 2.969 2.379 3.570 . 0 0 "[ . 1 . 2]" 1
76 1 57 ILE MG 1 74 LEU H . . 4.300 3.745 3.254 4.221 . 0 0 "[ . 1 . 2]" 1
77 1 80 LEU HA 1 81 LEU H . . 3.450 2.592 2.141 3.470 0.020 18 0 "[ . 1 . 2]" 1
78 1 81 LEU H 1 81 LEU HG . . 4.220 3.348 1.922 4.193 . 0 0 "[ . 1 . 2]" 1
79 1 73 GLN H 1 73 GLN HG2 . . 4.750 3.496 1.997 4.673 . 0 0 "[ . 1 . 2]" 1
80 1 73 GLN H 1 73 GLN HB3 . . 3.940 3.678 3.258 3.872 . 0 0 "[ . 1 . 2]" 1
81 1 73 GLN H 1 73 GLN HB2 . . 3.940 2.959 2.572 3.870 . 0 0 "[ . 1 . 2]" 1
82 1 8 ILE HB 1 73 GLN H . . 4.250 3.506 3.144 3.790 . 0 0 "[ . 1 . 2]" 1
83 1 72 VAL MG2 1 73 GLN H . . 4.260 4.171 4.043 4.262 0.002 15 0 "[ . 1 . 2]" 1
84 1 8 ILE MG 1 73 GLN H . . 5.320 4.446 4.178 4.625 . 0 0 "[ . 1 . 2]" 1
85 1 57 ILE MD 1 73 GLN H . . 5.500 5.233 4.754 5.651 0.151 20 0 "[ . 1 . 2]" 1
86 1 61 HIS H 1 61 HIS HB3 . . 3.570 2.595 2.434 2.768 . 0 0 "[ . 1 . 2]" 1
87 1 61 HIS H 1 61 HIS HB2 . . 3.570 2.516 2.401 2.634 . 0 0 "[ . 1 . 2]" 1
88 1 57 ILE MG 1 61 HIS H . . 4.350 4.133 3.842 4.345 . 0 0 "[ . 1 . 2]" 1
89 1 68 LYS H 1 68 LYS HB2 . . 3.270 2.497 2.391 2.607 . 0 0 "[ . 1 . 2]" 1
90 1 63 TYR HA 1 64 SER H . . 2.710 2.333 2.233 2.409 . 0 0 "[ . 1 . 2]" 1
91 1 63 TYR HB3 1 64 SER H . . 4.380 3.904 3.714 4.118 . 0 0 "[ . 1 . 2]" 1
92 1 63 TYR HB2 1 64 SER H . . 4.380 3.699 3.545 3.845 . 0 0 "[ . 1 . 2]" 1
93 1 68 LYS HA 1 69 ASP H . . 3.250 2.366 2.181 2.530 . 0 0 "[ . 1 . 2]" 1
94 1 68 LYS HB2 1 69 ASP H . . 4.220 3.745 3.425 4.158 . 0 0 "[ . 1 . 2]" 1
95 1 79 ALA HA 1 80 LEU H . . 3.440 2.320 2.142 2.893 . 0 0 "[ . 1 . 2]" 1
96 1 21 GLU H 1 21 GLU HB3 . . 4.070 3.181 2.684 3.513 . 0 0 "[ . 1 . 2]" 1
97 1 29 TYR H 1 31 LEU MD1 . . 4.880 3.973 3.697 4.157 . 0 0 "[ . 1 . 2]" 1
98 1 26 LEU HA 1 29 TYR H . . 4.250 3.699 3.528 3.816 . 0 0 "[ . 1 . 2]" 1
99 1 29 TYR H 1 29 TYR HB3 . . 3.770 3.662 3.627 3.719 . 0 0 "[ . 1 . 2]" 1
100 1 29 TYR H 1 29 TYR HB2 . . 3.770 2.670 2.610 2.742 . 0 0 "[ . 1 . 2]" 1
101 1 52 GLN HA 1 55 ASN H . . 4.170 4.027 3.901 4.140 . 0 0 "[ . 1 . 2]" 1
102 1 54 GLN HG2 1 55 ASN H . . 5.500 4.577 4.251 5.173 . 0 0 "[ . 1 . 2]" 1
103 1 54 GLN HG3 1 55 ASN H . . 5.500 5.013 4.785 5.221 . 0 0 "[ . 1 . 2]" 1
104 1 55 ASN H 1 56 ALA MB . . 4.470 3.931 3.848 4.051 . 0 0 "[ . 1 . 2]" 1
105 1 19 CYS HA 1 22 VAL H . . 3.590 3.218 3.050 3.332 . 0 0 "[ . 1 . 2]" 1
106 1 21 GLU HB3 1 22 VAL H . . 3.890 2.762 2.216 3.211 . 0 0 "[ . 1 . 2]" 1
107 1 21 GLU HB2 1 22 VAL H . . 3.890 3.033 2.530 3.642 . 0 0 "[ . 1 . 2]" 1
108 1 22 VAL H 1 22 VAL HB . . 3.120 2.535 2.507 2.625 . 0 0 "[ . 1 . 2]" 1
109 1 52 GLN H 1 52 GLN HG2 . . 3.950 3.726 3.493 3.949 . 0 0 "[ . 1 . 2]" 1
110 1 52 GLN H 1 52 GLN HG3 . . 3.950 2.832 2.651 3.043 . 0 0 "[ . 1 . 2]" 1
111 1 52 GLN H 1 52 GLN HB2 . . 3.940 2.226 2.181 2.289 . 0 0 "[ . 1 . 2]" 1
112 1 22 VAL HB 1 23 HIS H . . 3.560 2.416 2.228 2.716 . 0 0 "[ . 1 . 2]" 1
113 1 52 GLN H 1 52 GLN HB3 . . 3.940 3.517 3.488 3.548 . 0 0 "[ . 1 . 2]" 1
114 1 20 GLN HA 1 23 HIS H . . 4.240 3.900 3.590 4.226 . 0 0 "[ . 1 . 2]" 1
115 1 23 HIS H 1 23 HIS HB2 . . 3.530 2.219 2.176 2.343 . 0 0 "[ . 1 . 2]" 1
116 1 23 HIS H 1 23 HIS HB3 . . 3.530 3.110 2.906 3.578 0.048 17 0 "[ . 1 . 2]" 1
117 1 52 GLN HB2 1 53 ALA H . . 4.110 2.737 2.604 2.889 . 0 0 "[ . 1 . 2]" 1
118 1 47 LEU HB2 1 53 ALA H . . 4.240 4.188 4.071 4.236 . 0 0 "[ . 1 . 2]" 1
119 1 53 ALA H 1 53 ALA MB . . 2.960 2.105 2.026 2.243 . 0 0 "[ . 1 . 2]" 1
120 1 52 GLN HB3 1 53 ALA H . . 4.110 3.263 3.131 3.403 . 0 0 "[ . 1 . 2]" 1
121 1 26 LEU HA 1 27 LYS H . . 3.500 2.804 2.693 2.970 . 0 0 "[ . 1 . 2]" 1
122 1 27 LYS H 1 27 LYS HB3 . . 3.740 2.536 2.407 2.666 . 0 0 "[ . 1 . 2]" 1
123 1 27 LYS H 1 27 LYS HB2 . . 3.740 3.590 3.581 3.600 . 0 0 "[ . 1 . 2]" 1
124 1 26 LEU HB3 1 27 LYS H . . 4.450 4.362 4.320 4.396 . 0 0 "[ . 1 . 2]" 1
125 1 27 LYS H 1 27 LYS HG2 . . 3.940 2.242 1.997 3.369 . 0 0 "[ . 1 . 2]" 1
126 1 47 LEU HB2 1 48 LEU H . . 3.750 3.311 3.053 3.511 . 0 0 "[ . 1 . 2]" 1
127 1 48 LEU H 1 48 LEU HB2 . . 3.290 2.663 2.461 2.809 . 0 0 "[ . 1 . 2]" 1
128 1 48 LEU H 1 48 LEU HB3 . . 3.290 2.394 2.275 2.617 . 0 0 "[ . 1 . 2]" 1
129 1 33 TYR H 1 46 THR HB . . 3.800 2.369 2.025 2.612 . 0 0 "[ . 1 . 2]" 1
130 1 33 TYR H 1 33 TYR HB3 . . 4.100 3.008 2.811 3.135 . 0 0 "[ . 1 . 2]" 1
131 1 32 LYS HB3 1 33 TYR H . . 4.220 3.589 3.128 3.830 . 0 0 "[ . 1 . 2]" 1
132 1 32 LYS HB2 1 33 TYR H . . 4.220 2.588 2.274 2.902 . 0 0 "[ . 1 . 2]" 1
133 1 54 GLN HA 1 57 ILE H . . 4.230 4.377 4.308 4.449 0.219 19 0 "[ . 1 . 2]" 1
134 1 57 ILE H 1 57 ILE HB . . 3.190 2.525 2.427 2.629 . 0 0 "[ . 1 . 2]" 1
135 1 57 ILE H 1 57 ILE HG13 . . 3.190 2.165 1.968 2.418 . 0 0 "[ . 1 . 2]" 1
136 1 56 ALA MB 1 57 ILE H . . 3.100 2.793 2.505 3.049 . 0 0 "[ . 1 . 2]" 1
137 1 8 ILE MG 1 57 ILE H . . 3.930 3.789 3.464 4.120 0.190 7 0 "[ . 1 . 2]" 1
138 1 57 ILE HG13 1 58 GLN H . . 4.850 4.239 4.150 4.317 . 0 0 "[ . 1 . 2]" 1
139 1 55 ASN HA 1 58 GLN H . . 3.820 3.699 3.312 3.795 . 0 0 "[ . 1 . 2]" 1
140 1 58 GLN H 1 58 GLN HG2 . . 4.150 3.193 2.288 4.233 0.083 18 0 "[ . 1 . 2]" 1
141 1 57 ILE HB 1 58 GLN H . . 3.230 2.109 1.965 2.300 . 0 0 "[ . 1 . 2]" 1
142 1 57 ILE MG 1 58 GLN H . . 3.510 2.826 2.492 3.192 . 0 0 "[ . 1 . 2]" 1
143 1 57 ILE MD 1 58 GLN H . . 4.000 3.959 3.841 4.010 0.010 19 0 "[ . 1 . 2]" 1
144 1 23 HIS HA 1 26 LEU H . . 3.950 3.733 3.599 3.863 . 0 0 "[ . 1 . 2]" 1
145 1 26 LEU H 1 26 LEU HB3 . . 3.720 3.584 3.542 3.642 . 0 0 "[ . 1 . 2]" 1
146 1 26 LEU H 1 26 LEU HB2 . . 3.190 2.325 2.256 2.415 . 0 0 "[ . 1 . 2]" 1
147 1 25 LEU HB2 1 26 LEU H . . 3.780 3.845 3.723 4.007 0.227 15 0 "[ . 1 . 2]" 1
148 1 26 LEU H 1 26 LEU HG . . 3.340 3.027 2.817 3.198 . 0 0 "[ . 1 . 2]" 1
149 1 25 LEU HB3 1 26 LEU H . . 3.780 2.478 2.303 2.691 . 0 0 "[ . 1 . 2]" 1
150 1 26 LEU H 1 31 LEU MD1 . . 4.200 3.949 3.586 4.182 . 0 0 "[ . 1 . 2]" 1
151 1 25 LEU HG 1 26 LEU H . . 4.510 3.572 3.321 3.810 . 0 0 "[ . 1 . 2]" 1
152 1 26 LEU H 1 31 LEU MD2 . . 4.710 4.045 3.786 4.430 . 0 0 "[ . 1 . 2]" 1
153 1 25 LEU MD2 1 26 LEU H . . 4.270 3.979 3.758 4.188 . 0 0 "[ . 1 . 2]" 1
154 1 8 ILE H 1 8 ILE HG13 . . 4.070 2.837 2.621 2.942 . 0 0 "[ . 1 . 2]" 1
155 1 8 ILE H 1 8 ILE MG . . 3.960 3.158 3.029 3.279 . 0 0 "[ . 1 . 2]" 1
156 1 39 ASN HB2 1 40 LYS H . . 3.930 3.370 2.244 3.933 0.003 7 0 "[ . 1 . 2]" 1
157 1 39 ASN HB3 1 40 LYS H . . 3.930 2.976 2.344 3.825 . 0 0 "[ . 1 . 2]" 1
158 1 40 LYS H 1 40 LYS HB3 . . 3.850 3.597 3.563 3.660 . 0 0 "[ . 1 . 2]" 1
159 1 40 LYS H 1 40 LYS HG2 . . 4.130 3.761 2.905 4.130 . 0 0 "[ . 1 . 2]" 1
160 1 5 SER HA 1 6 SER H . . 3.140 2.329 2.138 2.826 . 0 0 "[ . 1 . 2]" 1
161 1 11 LYS HB2 1 12 ASN H . . 3.670 3.567 2.892 3.670 . 0 0 "[ . 1 . 2]" 1
162 1 11 LYS HD3 1 12 ASN H . . 4.920 4.465 4.227 4.649 . 0 0 "[ . 1 . 2]" 1
163 1 12 ASN H 1 13 LEU HG . . 5.500 4.270 4.083 4.394 . 0 0 "[ . 1 . 2]" 1
164 1 11 LYS HG2 1 12 ASN H . . 5.280 4.253 4.130 4.525 . 0 0 "[ . 1 . 2]" 1
165 1 11 LYS HB3 1 12 ASN H . . 4.100 2.490 2.295 2.619 . 0 0 "[ . 1 . 2]" 1
166 1 56 ALA HA 1 59 MET H . . 4.330 3.847 3.667 3.993 . 0 0 "[ . 1 . 2]" 1
167 1 59 MET H 1 59 MET HG2 . . 4.540 2.720 2.048 3.616 . 0 0 "[ . 1 . 2]" 1
168 1 59 MET H 1 59 MET HG3 . . 4.540 3.337 2.242 3.876 . 0 0 "[ . 1 . 2]" 1
169 1 59 MET H 1 59 MET ME . . 5.150 4.335 2.637 4.880 . 0 0 "[ . 1 . 2]" 1
170 1 59 MET H 1 59 MET HB2 . . 3.780 2.391 2.195 2.592 . 0 0 "[ . 1 . 2]" 1
171 1 57 ILE MG 1 59 MET H . . 4.540 4.794 4.478 5.291 0.751 13 2 "[ . 1 + . - 2]" 1
172 1 76 PRO HA 1 77 THR H . . 3.530 2.619 2.152 3.495 . 0 0 "[ . 1 . 2]" 1
173 1 51 GLU HA 1 54 GLN H . . 3.980 3.641 3.482 3.861 . 0 0 "[ . 1 . 2]" 1
174 1 54 GLN H 1 54 GLN HG2 . . 4.360 2.419 1.901 3.977 . 0 0 "[ . 1 . 2]" 1
175 1 54 GLN H 1 54 GLN HG3 . . 4.360 3.509 3.214 3.800 . 0 0 "[ . 1 . 2]" 1
176 1 53 ALA MB 1 54 GLN H . . 3.300 2.419 2.232 2.546 . 0 0 "[ . 1 . 2]" 1
177 1 17 SER HA 1 18 ASN H . . 2.930 2.260 2.193 2.348 . 0 0 "[ . 1 . 2]" 1
178 1 17 SER HB3 1 18 ASN H . . 3.950 3.691 3.489 3.888 . 0 0 "[ . 1 . 2]" 1
179 1 18 ASN H 1 18 ASN HB3 . . 4.140 3.995 3.917 4.027 . 0 0 "[ . 1 . 2]" 1
180 1 18 ASN H 1 21 GLU HB3 . . 3.890 3.672 3.204 3.972 0.082 10 0 "[ . 1 . 2]" 1
181 1 56 ALA HA 1 60 PHE H . . 4.340 3.718 3.400 4.105 . 0 0 "[ . 1 . 2]" 1
182 1 60 PHE H 1 60 PHE HB2 . . 3.460 2.388 2.280 2.583 . 0 0 "[ . 1 . 2]" 1
183 1 59 MET HB3 1 60 PHE H . . 3.900 3.524 2.962 3.900 . 0 0 "[ . 1 . 2]" 1
184 1 60 PHE H 1 72 VAL MG2 . . 4.310 3.974 3.701 4.311 0.001 7 0 "[ . 1 . 2]" 1
185 1 60 PHE H 1 60 PHE HB3 . . 3.780 3.622 3.556 3.742 . 0 0 "[ . 1 . 2]" 1
186 1 59 MET HB2 1 60 PHE H . . 3.900 2.775 2.410 3.206 . 0 0 "[ . 1 . 2]" 1
187 1 56 ALA MB 1 60 PHE H . . 5.100 4.488 4.222 4.807 . 0 0 "[ . 1 . 2]" 1
188 1 57 ILE MG 1 60 PHE H . . 5.500 4.887 4.549 5.093 . 0 0 "[ . 1 . 2]" 1
189 1 60 PHE H 1 72 VAL MG1 . . 5.500 4.576 4.161 4.902 . 0 0 "[ . 1 . 2]" 1
190 1 17 SER HB2 1 18 ASN H . . 4.260 4.123 3.915 4.260 . 12 0 "[ . 1 . 2]" 1
191 1 18 ASN H 1 36 VAL MG1 . . 4.770 3.885 3.187 4.428 . 0 0 "[ . 1 . 2]" 1
192 1 17 SER H 1 17 SER HB2 . . 3.340 2.353 2.246 2.517 . 0 0 "[ . 1 . 2]" 1
193 1 17 SER H 1 17 SER HB3 . . 3.440 2.754 2.559 2.893 . 0 0 "[ . 1 . 2]" 1
194 1 48 LEU HG 1 49 ASN HD21 . . 4.550 3.125 2.123 4.182 . 0 0 "[ . 1 . 2]" 1
195 1 13 LEU H 1 13 LEU MD1 . . 4.140 3.768 3.605 3.879 . 0 0 "[ . 1 . 2]" 1
196 1 13 LEU H 1 41 ARG HB3 . . 4.330 2.484 1.981 3.253 . 0 0 "[ . 1 . 2]" 1
197 1 13 LEU H 1 41 ARG HB2 . . 4.330 3.583 3.213 4.006 . 0 0 "[ . 1 . 2]" 1
198 1 13 LEU H 1 13 LEU HG . . 3.410 2.883 2.717 3.073 . 0 0 "[ . 1 . 2]" 1
199 1 13 LEU H 1 13 LEU HB2 . . 3.840 2.312 2.272 2.369 . 0 0 "[ . 1 . 2]" 1
200 1 13 LEU H 1 13 LEU HB3 . . 3.840 3.575 3.552 3.606 . 0 0 "[ . 1 . 2]" 1
201 1 13 LEU H 1 13 LEU MD2 . . 4.140 3.889 3.784 4.002 . 0 0 "[ . 1 . 2]" 1
202 1 55 ASN HA 1 55 ASN HD21 . . 4.590 3.701 3.124 4.202 . 0 0 "[ . 1 . 2]" 1
203 1 54 GLN HE21 1 74 LEU MD1 . . 4.480 2.677 1.982 4.226 . 0 0 "[ . 1 . 2]" 1
204 1 54 GLN HE22 1 74 LEU MD1 . . 4.480 2.795 1.928 4.336 . 0 0 "[ . 1 . 2]" 1
205 1 41 ARG HA 1 42 THR H . . 3.220 2.653 2.615 2.763 . 0 0 "[ . 1 . 2]" 1
206 1 42 THR H 1 42 THR HB . . 3.350 2.821 2.660 2.918 . 0 0 "[ . 1 . 2]" 1
207 1 40 LYS HB2 1 42 THR H . . 4.380 3.860 3.443 3.970 . 0 0 "[ . 1 . 2]" 1
208 1 42 THR H 1 42 THR MG . . 4.060 3.916 3.830 3.956 . 0 0 "[ . 1 . 2]" 1
209 1 49 ASN HB2 1 50 GLY H . . 4.840 3.352 2.051 3.996 . 0 0 "[ . 1 . 2]" 1
210 1 49 ASN HB3 1 50 GLY H . . 4.840 2.643 2.132 3.569 . 0 0 "[ . 1 . 2]" 1
211 1 47 LEU HB3 1 49 ASN H . . 4.030 3.425 3.103 3.710 . 0 0 "[ . 1 . 2]" 1
212 1 48 LEU HB2 1 49 ASN H . . 3.930 3.676 3.478 3.823 . 0 0 "[ . 1 . 2]" 1
213 1 48 LEU HB3 1 49 ASN H . . 3.930 2.203 2.000 2.419 . 0 0 "[ . 1 . 2]" 1
214 1 48 LEU MD1 1 49 ASN H . . 4.800 4.277 4.098 4.599 . 0 0 "[ . 1 . 2]" 1
215 1 66 ARG HA 1 67 GLY H . . 3.480 2.865 2.734 2.972 . 0 0 "[ . 1 . 2]" 1
216 1 34 CYS HA 1 35 TYR H . . 3.040 2.154 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
217 1 43 ALA HA 1 44 PHE H . . 3.080 2.149 2.141 2.176 . 0 0 "[ . 1 . 2]" 1
218 1 30 ASP HA 1 31 LEU H . . 3.050 2.156 2.139 2.218 . 0 0 "[ . 1 . 2]" 1
219 1 65 PHE HA 1 66 ARG H . . 2.980 2.153 2.140 2.175 . 0 0 "[ . 1 . 2]" 1
220 1 8 ILE HA 1 9 LEU H . . 3.320 2.325 2.275 2.382 . 0 0 "[ . 1 . 2]" 1
221 1 9 LEU HA 1 45 VAL H . . 4.320 3.522 3.260 3.795 . 0 0 "[ . 1 . 2]" 1
222 1 45 VAL HA 1 46 THR H . . 3.150 2.160 2.140 2.190 . 0 0 "[ . 1 . 2]" 1
223 1 62 GLN H 1 71 ILE HA . . 4.140 2.853 2.360 3.366 . 0 0 "[ . 1 . 2]" 1
224 1 9 LEU HA 1 10 VAL H . . 3.010 2.165 2.146 2.217 . 0 0 "[ . 1 . 2]" 1
225 1 72 VAL HA 1 73 GLN H . . 2.920 2.155 2.145 2.174 . 0 0 "[ . 1 . 2]" 1
226 1 47 LEU HA 1 48 LEU H . . 3.400 2.560 2.464 2.614 . 0 0 "[ . 1 . 2]" 1
227 1 11 LYS HA 1 12 ASN H . . 3.330 2.392 2.335 2.571 . 0 0 "[ . 1 . 2]" 1
228 1 17 SER HG 1 18 ASN H . . 3.590 2.362 1.901 3.094 . 0 0 "[ . 1 . 2]" 1
229 1 11 LYS HA 1 13 LEU H . . 4.110 3.767 3.499 3.916 . 0 0 "[ . 1 . 2]" 1
230 1 44 PHE H 1 44 PHE QD . . 3.890 2.644 1.960 3.227 . 0 0 "[ . 1 . 2]" 1
231 1 65 PHE QD 1 66 ARG H . . 4.070 3.919 3.678 4.054 . 0 0 "[ . 1 . 2]" 1
232 1 8 ILE H 1 45 VAL H . . 4.250 3.410 3.155 3.700 . 0 0 "[ . 1 . 2]" 1
233 1 55 ASN H 1 56 ALA H . . 3.180 2.497 2.324 2.655 . 0 0 "[ . 1 . 2]" 1
234 1 56 ALA H 1 57 ILE H . . 3.350 2.913 2.810 3.032 . 0 0 "[ . 1 . 2]" 1
235 1 29 TYR QE 1 56 ALA H . . 3.800 3.528 2.980 3.799 . 0 0 "[ . 1 . 2]" 1
236 1 22 VAL H 1 23 HIS H . . 3.350 2.749 2.622 2.930 . 0 0 "[ . 1 . 2]" 1
237 1 23 HIS H 1 24 ASP H . . 3.670 3.134 3.018 3.238 . 0 0 "[ . 1 . 2]" 1
238 1 58 GLN H 1 59 MET H . . 3.230 2.672 2.551 2.800 . 0 0 "[ . 1 . 2]" 1
239 1 60 PHE H 1 60 PHE QD . . 3.790 2.385 1.887 3.359 . 0 0 "[ . 1 . 2]" 1
240 1 67 GLY H 1 68 LYS H . . 3.420 2.752 2.608 2.920 . 0 0 "[ . 1 . 2]" 1
241 1 40 LYS H 1 41 ARG H . . 3.140 2.306 2.168 2.499 . 0 0 "[ . 1 . 2]" 1
242 1 21 GLU H 1 22 VAL H . . 3.130 2.675 2.478 2.788 . 0 0 "[ . 1 . 2]" 1
243 1 29 TYR H 1 29 TYR QE . . 4.460 4.057 3.866 4.211 . 0 0 "[ . 1 . 2]" 1
244 1 29 TYR H 1 29 TYR QD . . 3.320 2.219 2.025 2.333 . 0 0 "[ . 1 . 2]" 1
245 1 55 ASN H 1 57 ILE H . . 4.900 3.718 3.565 3.949 . 0 0 "[ . 1 . 2]" 1
246 1 18 ASN H 1 22 VAL H . . 4.430 4.324 4.042 4.429 . 0 0 "[ . 1 . 2]" 1
247 1 63 TYR H 1 63 TYR QD . . 4.430 4.105 3.979 4.166 . 0 0 "[ . 1 . 2]" 1
248 1 53 ALA H 1 54 GLN H . . 3.400 2.724 2.636 2.839 . 0 0 "[ . 1 . 2]" 1
249 1 35 TYR H 1 44 PHE H . . 3.980 2.947 2.712 3.177 . 0 0 "[ . 1 . 2]" 1
250 1 11 LYS H 1 71 ILE H . . 3.940 3.656 3.336 3.862 . 0 0 "[ . 1 . 2]" 1
251 1 10 VAL H 1 43 ALA H . . 3.920 3.047 2.783 3.320 . 0 0 "[ . 1 . 2]" 1
252 1 9 LEU H 1 73 GLN H . . 3.790 2.645 2.435 3.027 . 0 0 "[ . 1 . 2]" 1
253 1 65 PHE H 1 68 LYS H . . 3.700 3.152 2.738 3.623 . 0 0 "[ . 1 . 2]" 1
254 1 50 GLY H 1 51 GLU H . . 4.270 2.696 2.561 2.842 . 0 0 "[ . 1 . 2]" 1
255 1 32 LYS H 1 33 TYR H . . 3.160 2.232 1.929 2.504 . 0 0 "[ . 1 . 2]" 1
256 1 12 ASN H 1 13 LEU H . . 3.300 2.620 2.495 2.809 . 0 0 "[ . 1 . 2]" 1
257 1 66 ARG H 1 67 GLY H . . 3.730 2.742 2.591 2.917 . 0 0 "[ . 1 . 2]" 1
258 1 51 GLU H 1 52 GLN H . . 3.140 2.947 2.743 3.095 . 0 0 "[ . 1 . 2]" 1
259 1 62 GLN H 1 63 TYR H . . 3.450 2.727 2.565 3.049 . 0 0 "[ . 1 . 2]" 1
260 1 28 ASP H 1 29 TYR H . . 3.200 2.859 2.198 3.016 . 0 0 "[ . 1 . 2]" 1
261 1 20 GLN H 1 21 GLU H . . 3.630 2.975 2.785 3.080 . 0 0 "[ . 1 . 2]" 1
262 1 52 GLN H 1 53 ALA H . . 3.330 2.735 2.535 2.869 . 0 0 "[ . 1 . 2]" 1
263 1 33 TYR H 1 46 THR H . . 3.830 2.846 2.560 3.172 . 0 0 "[ . 1 . 2]" 1
264 1 39 ASN H 1 40 LYS H . . 3.870 2.781 2.362 2.970 . 0 0 "[ . 1 . 2]" 1
265 1 59 MET H 1 60 PHE H . . 3.200 2.823 2.608 2.960 . 0 0 "[ . 1 . 2]" 1
266 1 52 GLN H 1 54 GLN H . . 5.210 4.379 4.208 4.636 . 0 0 "[ . 1 . 2]" 1
267 1 54 GLN H 1 56 ALA H . . 5.500 4.732 4.509 4.919 . 0 0 "[ . 1 . 2]" 1
268 1 27 LYS H 1 28 ASP H . . 3.780 2.692 2.513 2.918 . 0 0 "[ . 1 . 2]" 1
269 1 49 ASN H 1 52 GLN H . . 4.290 4.257 4.165 4.293 0.003 13 0 "[ . 1 . 2]" 1
270 1 41 ARG H 1 42 THR H . . 3.430 3.043 2.691 3.163 . 0 0 "[ . 1 . 2]" 1
271 1 26 LEU HB3 1 29 TYR H . . 4.230 3.653 3.171 3.915 . 0 0 "[ . 1 . 2]" 1
272 1 35 TYR H 1 45 VAL HA . . 4.410 4.054 3.895 4.199 . 0 0 "[ . 1 . 2]" 1
273 1 9 LEU H 1 74 LEU HA . . 4.640 3.748 3.457 3.975 . 0 0 "[ . 1 . 2]" 1
274 1 10 VAL HA 1 73 GLN H . . 4.360 4.250 4.108 4.329 . 0 0 "[ . 1 . 2]" 1
275 1 11 LYS H 1 72 VAL HA . . 4.370 3.518 3.331 3.822 . 0 0 "[ . 1 . 2]" 1
276 1 10 VAL HA 1 11 LYS H . . 3.100 2.240 2.190 2.296 . 0 0 "[ . 1 . 2]" 1
277 1 51 GLU H 1 53 ALA H . . 4.770 4.424 4.286 4.509 . 0 0 "[ . 1 . 2]" 1
278 1 54 GLN H 1 55 ASN H . . 3.330 2.975 2.880 3.019 . 0 0 "[ . 1 . 2]" 1
279 1 57 ILE H 1 58 GLN H . . 3.320 3.017 2.588 3.160 . 0 0 "[ . 1 . 2]" 1
280 1 25 LEU H 1 26 LEU H . . 3.210 2.824 2.735 2.944 . 0 0 "[ . 1 . 2]" 1
281 1 26 LEU H 1 27 LYS H . . 3.670 3.042 2.780 3.212 . 0 0 "[ . 1 . 2]" 1
282 1 46 THR HA 1 47 LEU H . . 3.220 2.171 2.142 2.196 . 0 0 "[ . 1 . 2]" 1
283 1 48 LEU H 1 49 ASN H . . 3.640 2.774 2.630 2.926 . 0 0 "[ . 1 . 2]" 1
284 1 44 PHE HA 1 45 VAL H . . 2.980 2.142 2.138 2.160 . 0 0 "[ . 1 . 2]" 1
285 1 8 ILE H 1 46 THR HA . . 4.310 3.492 3.204 3.689 . 0 0 "[ . 1 . 2]" 1
286 1 16 ASP H 1 17 SER H . . 3.640 2.716 2.359 2.843 . 0 0 "[ . 1 . 2]" 1
287 1 64 SER HA 1 65 PHE H . . 2.960 2.154 2.138 2.203 . 0 0 "[ . 1 . 2]" 1
288 1 35 TYR QD 1 36 VAL H . . 4.120 3.581 2.810 4.075 . 0 0 "[ . 1 . 2]" 1
289 1 37 ASP H 1 42 THR H . . 4.190 3.078 2.838 3.576 . 0 0 "[ . 1 . 2]" 1
290 1 37 ASP HB3 1 42 THR H . . 4.100 3.102 2.045 4.014 . 0 0 "[ . 1 . 2]" 1
291 1 11 LYS HA 1 43 ALA H . . 4.400 4.132 3.919 4.293 . 0 0 "[ . 1 . 2]" 1
292 1 62 GLN H 1 72 VAL H . . 4.570 3.308 2.423 3.856 . 0 0 "[ . 1 . 2]" 1
293 1 62 GLN HB2 1 63 TYR H . . 5.430 4.307 4.180 4.504 . 0 0 "[ . 1 . 2]" 1
294 1 62 GLN HB3 1 63 TYR H . . 5.430 4.492 4.353 4.652 . 0 0 "[ . 1 . 2]" 1
295 1 63 TYR H 1 70 LEU HB3 . . 4.950 4.454 4.082 4.657 . 0 0 "[ . 1 . 2]" 1
296 1 63 TYR QD 1 64 SER H . . 3.930 2.360 2.072 2.912 . 0 0 "[ . 1 . 2]" 1
297 1 70 LEU H 1 70 LEU HB2 . . 3.670 2.530 2.431 2.671 . 0 0 "[ . 1 . 2]" 1
298 1 57 ILE HG12 1 73 GLN H . . 4.380 4.340 4.188 4.505 0.125 20 0 "[ . 1 . 2]" 1
299 1 40 LYS H 1 40 LYS HB2 . . 3.850 2.392 2.339 2.496 . 0 0 "[ . 1 . 2]" 1
300 1 40 LYS H 1 40 LYS HG3 . . 4.130 3.687 3.192 4.131 0.001 13 0 "[ . 1 . 2]" 1
301 1 41 ARG H 1 41 ARG HA . . 2.800 2.300 2.274 2.317 . 0 0 "[ . 1 . 2]" 1
302 1 38 ARG HA 1 40 LYS H . . 4.970 4.261 3.918 4.654 . 0 0 "[ . 1 . 2]" 1
303 1 40 LYS H 1 41 ARG HA . . 5.300 4.329 4.173 4.529 . 0 0 "[ . 1 . 2]" 1
304 1 69 ASP HA 1 70 LEU H . . 2.980 2.318 2.175 2.498 . 0 0 "[ . 1 . 2]" 1
305 1 17 SER H 1 17 SER HG . . 4.390 4.204 4.056 4.394 0.004 17 0 "[ . 1 . 2]" 1
306 1 18 ASN H 1 21 GLU HG2 . . 5.180 4.419 3.637 5.320 0.140 3 0 "[ . 1 . 2]" 1
307 1 32 LYS H 1 45 VAL MG1 . . 4.740 3.971 3.706 4.279 . 0 0 "[ . 1 . 2]" 1
308 1 38 ARG HB2 1 39 ASN H . . 5.120 3.262 2.486 4.444 . 0 0 "[ . 1 . 2]" 1
309 1 18 ASN H 1 18 ASN HD22 . . 4.600 4.429 4.085 4.602 0.002 13 0 "[ . 1 . 2]" 1
310 1 64 SER H 1 64 SER HB2 . . 3.280 2.561 2.326 2.829 . 0 0 "[ . 1 . 2]" 1
311 1 64 SER H 1 64 SER HB3 . . 3.280 2.610 2.345 2.827 . 0 0 "[ . 1 . 2]" 1
312 1 38 ARG H 1 39 ASN H . . 4.480 2.680 2.055 2.867 . 0 0 "[ . 1 . 2]" 1
313 1 61 HIS HA 1 72 VAL H . . 5.270 2.404 1.972 2.656 . 0 0 "[ . 1 . 2]" 1
314 1 18 ASN H 1 18 ASN HD21 . . 4.600 3.484 3.029 3.775 . 0 0 "[ . 1 . 2]" 1
315 1 24 ASP H 1 25 LEU H . . 4.150 2.772 2.631 2.862 . 0 0 "[ . 1 . 2]" 1
316 1 30 ASP H 1 52 GLN HE21 . . 4.580 4.296 3.756 4.584 0.004 19 0 "[ . 1 . 2]" 1
317 1 71 ILE MG 1 73 GLN HE21 . . 4.690 3.050 2.033 4.470 . 0 0 "[ . 1 . 2]" 1
318 1 8 ILE H 1 8 ILE MD . . 4.630 3.985 3.831 4.115 . 0 0 "[ . 1 . 2]" 1
319 1 12 ASN H 1 42 THR HA . . 4.940 4.530 4.303 4.800 . 0 0 "[ . 1 . 2]" 1
320 1 12 ASN HD21 1 70 LEU HA . . 4.680 3.353 2.648 4.191 . 0 0 "[ . 1 . 2]" 1
321 1 12 ASN HD22 1 68 LYS HA . . 4.680 4.298 3.664 4.595 . 0 0 "[ . 1 . 2]" 1
322 1 13 LEU H 1 14 PRO HD2 . . 4.850 4.783 4.771 4.805 . 0 0 "[ . 1 . 2]" 1
323 1 13 LEU H 1 42 THR HA . . 4.880 4.460 4.115 4.859 . 0 0 "[ . 1 . 2]" 1
324 1 16 ASP HB2 1 17 SER H . . 4.710 4.354 4.087 4.619 . 0 0 "[ . 1 . 2]" 1
325 1 16 ASP HB3 1 17 SER H . . 4.710 4.344 4.014 4.653 . 0 0 "[ . 1 . 2]" 1
326 1 17 SER H 1 18 ASN H . . 4.790 4.623 4.600 4.638 . 0 0 "[ . 1 . 2]" 1
327 1 18 ASN H 1 36 VAL MG2 . . 4.770 3.893 3.477 4.125 . 0 0 "[ . 1 . 2]" 1
328 1 20 GLN H 1 22 VAL H . . 5.000 4.579 4.426 4.784 . 0 0 "[ . 1 . 2]" 1
329 1 20 GLN H 1 20 GLN HG3 . . 4.930 3.622 2.387 4.625 . 0 0 "[ . 1 . 2]" 1
330 1 21 GLU HG2 1 22 VAL H . . 5.120 4.809 4.636 4.995 . 0 0 "[ . 1 . 2]" 1
331 1 25 LEU HA 1 27 LYS H . . 4.720 3.859 3.653 3.973 . 0 0 "[ . 1 . 2]" 1
332 1 25 LEU H 1 27 LYS H . . 5.030 4.411 4.080 4.693 . 0 0 "[ . 1 . 2]" 1
333 1 27 LYS H 1 29 TYR H . . 4.890 4.375 4.277 4.610 . 0 0 "[ . 1 . 2]" 1
334 1 29 TYR QD 1 30 ASP H . . 4.790 4.197 3.956 4.440 . 0 0 "[ . 1 . 2]" 1
335 1 33 TYR H 1 33 TYR QD . . 4.740 4.465 4.391 4.517 . 0 0 "[ . 1 . 2]" 1
336 1 33 TYR QD 1 34 CYS H . . 4.510 3.149 2.425 3.741 . 0 0 "[ . 1 . 2]" 1
337 1 33 TYR HB3 1 34 CYS H . . 4.650 3.907 3.640 4.137 . 0 0 "[ . 1 . 2]" 1
338 1 35 TYR H 1 45 VAL MG2 . . 5.040 3.970 3.745 4.199 . 0 0 "[ . 1 . 2]" 1
339 1 35 TYR QE 1 36 VAL H . . 4.930 4.927 4.383 5.220 0.290 9 0 "[ . 1 . 2]" 1
340 1 40 LYS H 1 42 THR H . . 4.070 3.729 3.318 3.954 . 0 0 "[ . 1 . 2]" 1
341 1 41 ARG H 1 41 ARG HD2 . . 5.500 4.668 2.280 5.376 . 0 0 "[ . 1 . 2]" 1
342 1 41 ARG H 1 41 ARG HD3 . . 5.500 4.558 2.266 5.492 . 0 0 "[ . 1 . 2]" 1
343 1 40 LYS HB3 1 42 THR H . . 4.380 4.160 3.681 4.380 0.000 11 0 "[ . 1 . 2]" 1
344 1 13 LEU HG 1 43 ALA H . . 4.620 3.857 3.607 4.219 . 0 0 "[ . 1 . 2]" 1
345 1 44 PHE QD 1 45 VAL H . . 5.060 4.392 4.174 4.621 . 0 0 "[ . 1 . 2]" 1
346 1 46 THR H 1 46 THR MG . . 4.730 3.824 3.781 3.867 . 0 0 "[ . 1 . 2]" 1
347 1 47 LEU H 1 47 LEU MD1 . . 4.490 3.668 3.421 3.859 . 0 0 "[ . 1 . 2]" 1
348 1 47 LEU MD1 1 48 LEU H . . 4.530 4.153 3.949 4.343 . 0 0 "[ . 1 . 2]" 1
349 1 31 LEU HA 1 48 LEU H . . 5.190 4.884 4.286 5.187 . 0 0 "[ . 1 . 2]" 1
350 1 30 ASP H 1 48 LEU H . . 4.740 3.733 3.467 4.092 . 0 0 "[ . 1 . 2]" 1
351 1 48 LEU HG 1 49 ASN HD22 . . 4.550 3.158 2.102 4.255 . 0 0 "[ . 1 . 2]" 1
352 1 6 SER HA 1 53 ALA H . . 4.700 4.293 3.298 4.430 . 0 0 "[ . 1 . 2]" 1
353 1 54 GLN H 1 57 ILE MD . . 4.670 3.458 3.134 3.889 . 0 0 "[ . 1 . 2]" 1
354 1 53 ALA H 1 55 ASN H . . 4.770 4.162 4.035 4.327 . 0 0 "[ . 1 . 2]" 1
355 1 55 ASN HA 1 55 ASN HD22 . . 4.590 4.214 3.908 4.520 . 0 0 "[ . 1 . 2]" 1
356 1 53 ALA MB 1 56 ALA H . . 4.920 4.650 4.454 4.833 . 0 0 "[ . 1 . 2]" 1
357 1 53 ALA H 1 56 ALA H . . 4.960 4.803 4.603 4.948 . 0 0 "[ . 1 . 2]" 1
358 1 55 ASN HA 1 59 MET H . . 4.400 3.849 3.649 4.014 . 0 0 "[ . 1 . 2]" 1
359 1 59 MET HG2 1 60 PHE H . . 5.500 4.691 4.343 5.050 . 0 0 "[ . 1 . 2]" 1
360 1 59 MET HG3 1 60 PHE H . . 5.500 4.917 4.449 5.455 . 0 0 "[ . 1 . 2]" 1
361 1 61 HIS HB2 1 62 GLN H . . 4.620 4.161 3.887 4.362 . 0 0 "[ . 1 . 2]" 1
362 1 62 GLN H 1 72 VAL HB . . 4.550 5.097 3.891 5.406 0.856 12 13 "[* *-. ** * +* ** ***]" 1
363 1 62 GLN H 1 70 LEU HB2 . . 4.580 4.371 4.025 4.576 . 0 0 "[ . 1 . 2]" 1
364 1 65 PHE H 1 70 LEU H . . 4.400 3.987 3.379 4.266 . 0 0 "[ . 1 . 2]" 1
365 1 66 ARG HB2 1 67 GLY H . . 4.950 4.165 4.032 4.299 . 0 0 "[ . 1 . 2]" 1
366 1 66 ARG HB3 1 67 GLY H . . 4.950 4.452 4.325 4.515 . 0 0 "[ . 1 . 2]" 1
367 1 65 PHE H 1 67 GLY H . . 5.010 3.482 3.060 3.926 . 0 0 "[ . 1 . 2]" 1
368 1 63 TYR H 1 70 LEU H . . 4.280 3.583 3.058 4.063 . 0 0 "[ . 1 . 2]" 1
369 1 62 GLN HA 1 70 LEU H . . 4.630 4.197 3.643 4.632 0.002 7 0 "[ . 1 . 2]" 1
370 1 11 LYS HB2 1 71 ILE H . . 4.560 3.910 3.671 4.193 . 0 0 "[ . 1 . 2]" 1
371 1 71 ILE MG 1 73 GLN HE22 . . 4.690 3.781 2.741 4.674 . 0 0 "[ . 1 . 2]" 1
372 1 75 GLN H 1 75 GLN HG3 . . 4.440 2.917 1.973 3.888 . 0 0 "[ . 1 . 2]" 1
373 1 9 LEU HG 1 75 GLN H . . 5.500 4.115 3.566 4.633 . 0 0 "[ . 1 . 2]" 1
374 1 53 ALA MB 1 75 GLN H . . 5.500 5.087 4.260 5.823 0.323 15 0 "[ . 1 . 2]" 1
375 1 78 ASP HB2 1 79 ALA H . . 5.500 3.677 2.387 4.594 . 0 0 "[ . 1 . 2]" 1
376 1 78 ASP HB3 1 79 ALA H . . 5.500 3.615 2.226 4.656 . 0 0 "[ . 1 . 2]" 1
377 1 78 ASP H 1 79 ALA H . . 5.150 3.520 2.174 4.622 . 0 0 "[ . 1 . 2]" 1
378 1 18 ASN H 1 18 ASN HB2 . . 4.140 3.071 2.883 3.170 . 0 0 "[ . 1 . 2]" 1
379 1 12 ASN HD21 1 68 LYS HB3 . . 4.610 3.687 3.313 4.613 0.003 19 0 "[ . 1 . 2]" 1
380 1 12 ASN HD22 1 68 LYS HB3 . . 4.620 3.478 3.054 3.786 . 0 0 "[ . 1 . 2]" 1
381 1 46 THR HB 1 47 LEU H . . 4.970 4.393 4.272 4.451 . 0 0 "[ . 1 . 2]" 1
382 1 30 ASP H 1 52 GLN HE22 . . 4.580 2.834 2.362 3.783 . 0 0 "[ . 1 . 2]" 1
383 1 29 TYR HA 1 52 GLN HE22 . . 5.500 3.671 2.987 4.322 . 0 0 "[ . 1 . 2]" 1
384 1 65 PHE H 1 68 LYS HB2 . . 4.780 4.272 4.026 4.526 . 0 0 "[ . 1 . 2]" 1
385 1 66 ARG HA 1 68 LYS H . . 4.400 4.310 4.152 4.397 . 0 0 "[ . 1 . 2]" 1
386 1 12 ASN HD22 1 69 ASP H . . 4.290 2.623 2.251 3.234 . 0 0 "[ . 1 . 2]" 1
387 1 68 LYS HD2 1 69 ASP H . . 4.680 3.646 3.194 4.161 . 0 0 "[ . 1 . 2]" 1
388 1 56 ALA H 1 57 ILE HG13 . . 4.640 4.561 4.393 4.645 0.005 18 0 "[ . 1 . 2]" 1
389 1 59 MET H 1 60 PHE HB2 . . 4.780 5.000 4.629 5.139 0.359 10 0 "[ . 1 . 2]" 1
390 1 42 THR HB 1 43 ALA H . . 4.350 4.104 3.972 4.316 . 0 0 "[ . 1 . 2]" 1
391 1 37 ASP H 1 37 ASP HB3 . . 3.940 3.257 2.784 3.681 . 0 0 "[ . 1 . 2]" 1
392 1 29 TYR HB3 1 30 ASP H . . 4.030 2.655 2.247 2.981 . 0 0 "[ . 1 . 2]" 1
393 1 46 THR H 1 46 THR HB . . 3.780 2.570 2.492 2.665 . 0 0 "[ . 1 . 2]" 1
394 1 77 THR HB 1 78 ASP H . . 4.860 4.004 2.302 4.475 . 0 0 "[ . 1 . 2]" 1
395 1 22 VAL HA 1 25 LEU H . . 3.830 3.375 3.143 3.500 . 0 0 "[ . 1 . 2]" 1
396 1 57 ILE HA 1 60 PHE H . . 4.160 4.056 3.568 4.191 0.031 18 0 "[ . 1 . 2]" 1
397 1 36 VAL HA 1 37 ASP H . . 3.390 2.159 2.140 2.232 . 0 0 "[ . 1 . 2]" 1
398 1 29 TYR QE 1 52 GLN HA . . 4.140 3.257 2.680 3.668 . 0 0 "[ . 1 . 2]" 1
399 1 29 TYR QD 1 52 GLN HA . . 4.220 3.786 3.424 4.073 . 0 0 "[ . 1 . 2]" 1
400 1 21 GLU HA 1 24 ASP H . . 4.450 4.156 3.878 4.480 0.030 7 0 "[ . 1 . 2]" 1
401 1 27 LYS HA 1 29 TYR H . . 4.780 4.281 3.997 4.471 . 0 0 "[ . 1 . 2]" 1
402 1 63 TYR HA 1 63 TYR QD . . 3.910 2.627 2.392 2.833 . 0 0 "[ . 1 . 2]" 1
403 1 55 ASN HA 1 57 ILE H . . 4.520 3.935 3.599 4.295 . 0 0 "[ . 1 . 2]" 1
404 1 29 TYR QE 1 56 ALA HA . . 4.200 3.489 3.037 3.838 . 0 0 "[ . 1 . 2]" 1
405 1 56 ALA HA 1 60 PHE QD . . 3.820 2.676 2.329 3.227 . 0 0 "[ . 1 . 2]" 1
406 1 26 LEU HA 1 29 TYR QE . . 4.430 3.851 3.382 4.200 . 0 0 "[ . 1 . 2]" 1
407 1 26 LEU HA 1 29 TYR QD . . 3.790 2.867 2.543 3.214 . 0 0 "[ . 1 . 2]" 1
408 1 14 PRO HD3 1 65 PHE QD . . 3.980 2.812 2.616 3.143 . 0 0 "[ . 1 . 2]" 1
409 1 14 PRO HD2 1 65 PHE QD . . 4.050 4.008 3.805 4.054 0.004 19 0 "[ . 1 . 2]" 1
410 1 30 ASP H 1 30 ASP HB2 . . 4.000 2.417 2.198 2.777 . 0 0 "[ . 1 . 2]" 1
411 1 30 ASP H 1 30 ASP HB3 . . 4.000 3.069 2.405 3.584 . 0 0 "[ . 1 . 2]" 1
412 1 29 TYR HB2 1 30 ASP H . . 4.030 3.541 3.211 3.781 . 0 0 "[ . 1 . 2]" 1
413 1 24 ASP H 1 24 ASP HB2 . . 3.560 2.435 2.186 3.515 . 0 0 "[ . 1 . 2]" 1
414 1 24 ASP HB3 1 25 LEU H . . 4.250 3.028 2.448 3.627 . 0 0 "[ . 1 . 2]" 1
415 1 24 ASP H 1 24 ASP HB3 . . 3.560 3.063 2.185 3.589 0.029 4 0 "[ . 1 . 2]" 1
416 1 69 ASP H 1 69 ASP HB2 . . 3.870 2.495 2.274 3.591 . 0 0 "[ . 1 . 2]" 1
417 1 28 ASP H 1 28 ASP HB2 . . 3.950 2.516 2.219 2.830 . 0 0 "[ . 1 . 2]" 1
418 1 69 ASP H 1 69 ASP HB3 . . 3.870 3.597 3.034 3.760 . 0 0 "[ . 1 . 2]" 1
419 1 18 ASN H 1 21 GLU HG3 . . 5.180 4.635 3.339 5.338 0.158 12 0 "[ . 1 . 2]" 1
420 1 51 GLU HG2 1 52 GLN H . . 5.500 4.451 2.050 5.175 . 0 0 "[ . 1 . 2]" 1
421 1 51 GLU HG3 1 52 GLN H . . 5.500 4.672 3.770 5.075 . 0 0 "[ . 1 . 2]" 1
422 1 29 TYR QD 1 52 GLN HG3 . . 4.490 4.058 3.600 4.409 . 0 0 "[ . 1 . 2]" 1
423 1 68 LYS HB3 1 69 ASP H . . 4.960 2.553 2.152 3.117 . 0 0 "[ . 1 . 2]" 1
424 1 68 LYS H 1 68 LYS HB3 . . 4.010 3.671 3.610 3.753 . 0 0 "[ . 1 . 2]" 1
425 1 58 GLN H 1 58 GLN HG3 . . 4.150 3.638 2.589 4.441 0.291 18 0 "[ . 1 . 2]" 1
426 1 10 VAL H 1 10 VAL HB . . 3.730 2.400 2.367 2.471 . 0 0 "[ . 1 . 2]" 1
427 1 18 ASN H 1 21 GLU HB2 . . 3.890 3.169 2.488 3.916 0.026 16 0 "[ . 1 . 2]" 1
428 1 21 GLU H 1 21 GLU HB2 . . 4.070 2.251 2.179 2.438 . 0 0 "[ . 1 . 2]" 1
429 1 51 GLU HB3 1 52 GLN H . . 3.940 3.103 2.383 3.965 0.025 15 0 "[ . 1 . 2]" 1
430 1 51 GLU HB2 1 52 GLN H . . 3.940 3.250 2.521 3.929 . 0 0 "[ . 1 . 2]" 1
431 1 58 GLN HB2 1 59 MET H . . 4.680 2.851 2.347 3.789 . 0 0 "[ . 1 . 2]" 1
432 1 58 GLN HB3 1 59 MET H . . 4.680 3.258 2.342 3.794 . 0 0 "[ . 1 . 2]" 1
433 1 70 LEU H 1 70 LEU HG . . 3.910 2.221 1.928 2.415 . 0 0 "[ . 1 . 2]" 1
434 1 47 LEU HB3 1 48 LEU H . . 4.050 2.105 1.996 2.277 . 0 0 "[ . 1 . 2]" 1
435 1 74 LEU HB2 1 75 GLN H . . 4.420 3.898 3.667 4.178 . 0 0 "[ . 1 . 2]" 1
436 1 74 LEU HB3 1 75 GLN H . . 4.420 3.203 2.332 4.241 . 0 0 "[ . 1 . 2]" 1
437 1 36 VAL H 1 36 VAL HB . . 3.520 2.508 2.450 2.568 . 0 0 "[ . 1 . 2]" 1
438 1 59 MET H 1 59 MET HB3 . . 3.780 3.572 3.498 3.610 . 0 0 "[ . 1 . 2]" 1
439 1 41 ARG H 1 41 ARG HG3 . . 4.550 2.863 2.396 4.132 . 0 0 "[ . 1 . 2]" 1
440 1 41 ARG H 1 41 ARG HG2 . . 4.550 3.576 2.625 4.181 . 0 0 "[ . 1 . 2]" 1
441 1 29 TYR QD 1 52 GLN HB3 . . 4.420 2.223 2.009 2.518 . 0 0 "[ . 1 . 2]" 1
442 1 14 PRO HG2 1 65 PHE QD . . 4.620 4.499 4.255 4.622 0.002 18 0 "[ . 1 . 2]" 1
443 1 68 LYS HD3 1 69 ASP H . . 4.680 3.894 3.628 4.327 . 0 0 "[ . 1 . 2]" 1
444 1 71 ILE H 1 71 ILE HG13 . . 4.320 3.078 2.512 4.036 . 0 0 "[ . 1 . 2]" 1
445 1 71 ILE HA 1 71 ILE HG13 . . 3.970 2.981 2.235 3.735 . 0 0 "[ . 1 . 2]" 1
446 1 71 ILE HA 1 71 ILE HG12 . . 3.970 2.748 2.533 3.493 . 0 0 "[ . 1 . 2]" 1
447 1 27 LYS H 1 27 LYS HG3 . . 3.940 3.423 2.940 3.867 . 0 0 "[ . 1 . 2]" 1
448 1 77 THR H 1 77 THR MG . . 4.150 3.721 2.174 4.005 . 0 0 "[ . 1 . 2]" 1
449 1 77 THR MG 1 78 ASP H . . 4.510 2.906 1.868 4.077 . 0 0 "[ . 1 . 2]" 1
450 1 79 ALA MB 1 80 LEU H . . 4.100 3.151 2.032 3.708 . 0 0 "[ . 1 . 2]" 1
451 1 74 LEU H 1 74 LEU HB2 . . 3.650 2.532 2.170 3.015 . 0 0 "[ . 1 . 2]" 1
452 1 8 ILE HB 1 9 LEU H . . 3.380 2.573 2.424 2.716 . 0 0 "[ . 1 . 2]" 1
453 1 31 LEU HB3 1 32 LYS H . . 4.570 3.251 2.435 3.529 . 0 0 "[ . 1 . 2]" 1
454 1 31 LEU H 1 31 LEU HB3 . . 3.710 3.598 3.560 3.664 . 0 0 "[ . 1 . 2]" 1
455 1 28 ASP H 1 28 ASP HB3 . . 3.950 3.312 2.432 3.606 . 0 0 "[ . 1 . 2]" 1
456 1 62 GLN H 1 62 GLN HG2 . . 4.370 3.384 2.677 4.292 . 0 0 "[ . 1 . 2]" 1
457 1 62 GLN H 1 62 GLN HG3 . . 4.370 3.532 2.713 4.302 . 0 0 "[ . 1 . 2]" 1
458 1 38 ARG H 1 38 ARG HB3 . . 3.960 3.102 2.501 3.587 . 0 0 "[ . 1 . 2]" 1
459 1 47 LEU H 1 47 LEU HG . . 4.380 2.412 2.207 2.677 . 0 0 "[ . 1 . 2]" 1
460 1 38 ARG H 1 38 ARG HG3 . . 4.320 2.910 1.917 3.716 . 0 0 "[ . 1 . 2]" 1
461 1 38 ARG H 1 38 ARG HG2 . . 4.320 2.898 1.899 4.066 . 0 0 "[ . 1 . 2]" 1
462 1 27 LYS HG3 1 28 ASP H . . 4.260 2.463 1.908 3.923 . 0 0 "[ . 1 . 2]" 1
463 1 12 ASN HD22 1 71 ILE MD . . 4.620 3.853 2.738 4.537 . 0 0 "[ . 1 . 2]" 1
464 1 26 LEU QD 1 29 TYR QE . . 3.620 2.554 2.306 2.764 . 0 0 "[ . 1 . 2]" 1
465 1 26 LEU QD 1 29 TYR QD . . 3.250 2.073 1.934 2.320 . 0 0 "[ . 1 . 2]" 1
466 1 29 TYR QD 1 47 LEU MD1 . . 4.190 3.457 3.075 3.634 . 0 0 "[ . 1 . 2]" 1
467 1 48 LEU H 1 48 LEU MD1 . . 4.400 4.176 3.943 4.261 . 0 0 "[ . 1 . 2]" 1
468 1 65 PHE QD 1 70 LEU MD2 . . 4.090 2.809 2.179 3.388 . 0 0 "[ . 1 . 2]" 1
469 1 9 LEU MD1 1 44 PHE QD . . 3.980 3.963 3.778 4.023 0.043 16 0 "[ . 1 . 2]" 1
470 1 9 LEU MD2 1 44 PHE QD . . 3.980 1.864 1.767 1.960 . 0 0 "[ . 1 . 2]" 1
471 1 23 HIS HD2 1 31 LEU MD2 . . 4.270 2.805 2.140 3.817 . 0 0 "[ . 1 . 2]" 1
472 1 29 TYR QD 1 31 LEU MD1 . . 4.490 4.231 4.018 4.492 0.002 14 0 "[ . 1 . 2]" 1
473 1 23 HIS HD2 1 31 LEU MD1 . . 4.240 3.564 2.410 4.241 0.001 6 0 "[ . 1 . 2]" 1
474 1 47 LEU MD2 1 48 LEU H . . 4.530 3.331 3.054 3.679 . 0 0 "[ . 1 . 2]" 1
475 1 48 LEU H 1 48 LEU MD2 . . 4.400 4.174 4.078 4.263 . 0 0 "[ . 1 . 2]" 1
476 1 72 VAL HA 1 72 VAL MG1 . . 3.260 2.238 2.118 2.346 . 0 0 "[ . 1 . 2]" 1
477 1 36 VAL MG1 1 43 ALA HA . . 4.470 3.891 3.643 4.032 . 0 0 "[ . 1 . 2]" 1
478 1 72 VAL HA 1 72 VAL MG2 . . 3.250 2.503 2.370 2.610 . 0 0 "[ . 1 . 2]" 1
479 1 65 PHE QD 1 70 LEU MD1 . . 4.090 2.706 1.989 3.181 . 0 0 "[ . 1 . 2]" 1
480 1 45 VAL HA 1 45 VAL MG1 . . 3.560 2.355 2.288 2.439 . 0 0 "[ . 1 . 2]" 1
481 1 42 THR MG 1 44 PHE QD . . 3.920 3.477 2.915 3.765 . 0 0 "[ . 1 . 2]" 1
482 1 42 THR MG 1 44 PHE HZ . . 4.180 3.396 3.051 3.951 . 0 0 "[ . 1 . 2]" 1
483 1 45 VAL HA 1 45 VAL MG2 . . 3.670 2.332 2.192 2.457 . 0 0 "[ . 1 . 2]" 1
484 1 11 LYS HA 1 42 THR MG . . 4.550 3.146 2.721 3.587 . 0 0 "[ . 1 . 2]" 1
485 1 8 ILE MG 1 53 ALA H . . 4.920 4.671 4.482 4.885 . 0 0 "[ . 1 . 2]" 1
486 1 8 ILE HA 1 8 ILE MG . . 3.180 2.253 2.151 2.336 . 0 0 "[ . 1 . 2]" 1
487 1 29 TYR QD 1 56 ALA MB . . 4.050 3.287 2.962 3.547 . 0 0 "[ . 1 . 2]" 1
488 1 56 ALA MB 1 60 PHE QD . . 3.980 3.476 3.227 3.947 . 0 0 "[ . 1 . 2]" 1
489 1 71 ILE HA 1 71 ILE MG . . 3.280 2.418 2.340 2.474 . 0 0 "[ . 1 . 2]" 1
490 1 57 ILE MD 1 73 GLN HA . . 3.920 3.797 3.402 3.920 . 0 0 "[ . 1 . 2]" 1
491 1 61 HIS HA 1 72 VAL HB . . 4.140 3.140 2.323 3.452 . 0 0 "[ . 1 . 2]" 1
492 1 18 ASN HA 1 36 VAL HB . . 4.500 3.637 2.885 4.038 . 0 0 "[ . 1 . 2]" 1
493 1 24 ASP HA 1 27 LYS HB3 . . 4.380 2.692 2.234 3.145 . 0 0 "[ . 1 . 2]" 1
494 1 31 LEU HA 1 31 LEU HG . . 3.770 2.400 2.354 2.526 . 0 0 "[ . 1 . 2]" 1
495 1 68 LYS HA 1 68 LYS HD3 . . 3.910 2.210 2.001 2.509 . 0 0 "[ . 1 . 2]" 1
496 1 68 LYS HA 1 68 LYS HD2 . . 3.910 2.975 2.535 3.453 . 0 0 "[ . 1 . 2]" 1
497 1 26 LEU HA 1 26 LEU QD . . 3.070 2.121 1.972 2.281 . 0 0 "[ . 1 . 2]" 1
498 1 61 HIS HA 1 62 GLN HA . . 4.570 4.374 4.363 4.386 . 0 0 "[ . 1 . 2]" 1
499 1 40 LYS HA 1 40 LYS HG2 . . 4.110 2.360 2.177 2.738 . 0 0 "[ . 1 . 2]" 1
500 1 74 LEU HA 1 74 LEU MD2 . . 4.100 3.115 1.991 3.987 . 0 0 "[ . 1 . 2]" 1
501 1 74 LEU HA 1 74 LEU MD1 . . 4.100 2.829 1.954 3.850 . 0 0 "[ . 1 . 2]" 1
502 1 18 ASN HA 1 36 VAL MG1 . . 4.220 2.591 1.981 2.979 . 0 0 "[ . 1 . 2]" 1
503 1 36 VAL HA 1 36 VAL MG1 . . 3.400 2.388 2.266 2.471 . 0 0 "[ . 1 . 2]" 1
504 1 61 HIS HA 1 72 VAL MG2 . . 3.440 2.432 2.052 2.842 . 0 0 "[ . 1 . 2]" 1
505 1 77 THR HA 1 77 THR MG . . 3.220 2.366 2.166 3.197 . 0 0 "[ . 1 . 2]" 1
506 1 18 ASN HA 1 36 VAL MG2 . . 4.220 2.599 2.011 2.901 . 0 0 "[ . 1 . 2]" 1
507 1 36 VAL HA 1 36 VAL MG2 . . 3.400 2.286 2.229 2.355 . 0 0 "[ . 1 . 2]" 1
508 1 75 GLN HA 1 76 PRO HD2 . . 3.270 2.311 2.177 2.489 . 0 0 "[ . 1 . 2]" 1
509 1 75 GLN HA 1 76 PRO HD3 . . 3.270 2.277 2.251 2.337 . 0 0 "[ . 1 . 2]" 1
510 1 8 ILE MG 1 74 LEU HA . . 4.060 2.985 2.327 3.407 . 0 0 "[ . 1 . 2]" 1
511 1 57 ILE MG 1 73 GLN HA . . 4.290 2.339 1.950 2.618 . 0 0 "[ . 1 . 2]" 1
512 1 33 TYR HB2 1 46 THR HB . . 4.070 3.697 3.311 3.830 . 0 0 "[ . 1 . 2]" 1
513 1 51 GLU HA 1 51 GLU HG2 . . 4.190 2.877 2.225 3.708 . 0 0 "[ . 1 . 2]" 1
514 1 51 GLU HA 1 51 GLU HG3 . . 4.190 3.002 2.381 4.212 0.022 15 0 "[ . 1 . 2]" 1
515 1 20 GLN HA 1 23 HIS HB2 . . 4.720 3.049 2.430 3.488 . 0 0 "[ . 1 . 2]" 1
516 1 20 GLN HA 1 23 HIS HB3 . . 4.720 3.384 2.862 4.076 . 0 0 "[ . 1 . 2]" 1
517 1 13 LEU HA 1 13 LEU MD2 . . 4.500 2.077 1.960 2.332 . 0 0 "[ . 1 . 2]" 1
518 1 13 LEU HA 1 13 LEU MD1 . . 4.500 3.855 3.834 3.886 . 0 0 "[ . 1 . 2]" 1
519 1 13 LEU HA 1 14 PRO HD3 . . 3.150 2.311 2.278 2.326 . 0 0 "[ . 1 . 2]" 1
520 1 13 LEU HA 1 14 PRO HD2 . . 3.380 2.426 2.335 2.461 . 0 0 "[ . 1 . 2]" 1
521 1 57 ILE HA 1 57 ILE MD . . 4.280 3.861 3.837 3.883 . 0 0 "[ . 1 . 2]" 1
522 1 57 ILE HA 1 72 VAL HB . . 3.520 2.549 2.278 3.018 . 0 0 "[ . 1 . 2]" 1
523 1 41 ARG HA 1 41 ARG HG3 . . 4.070 2.916 2.374 3.740 . 0 0 "[ . 1 . 2]" 1
524 1 66 ARG HA 1 66 ARG HG2 . . 4.200 2.750 2.253 3.027 . 0 0 "[ . 1 . 2]" 1
525 1 38 ARG HA 1 38 ARG HG3 . . 4.190 3.396 2.251 3.933 . 0 0 "[ . 1 . 2]" 1
526 1 48 LEU HA 1 48 LEU HG . . 4.140 3.102 2.899 3.232 . 0 0 "[ . 1 . 2]" 1
527 1 48 LEU HG 1 49 ASN HB2 . . 5.500 4.072 3.264 5.081 . 0 0 "[ . 1 . 2]" 1
528 1 48 LEU HG 1 49 ASN HB3 . . 5.500 4.407 2.951 5.589 0.089 6 0 "[ . 1 . 2]" 1
529 1 54 GLN HA 1 74 LEU MD2 . . 4.660 4.052 3.340 4.636 . 0 0 "[ . 1 . 2]" 1
530 1 32 LYS HG2 1 48 LEU HA . . 4.570 4.007 3.522 4.570 0.000 5 0 "[ . 1 . 2]" 1
531 1 25 LEU HA 1 25 LEU MD1 . . 2.990 2.243 1.985 2.470 . 0 0 "[ . 1 . 2]" 1
532 1 22 VAL HA 1 22 VAL MG1 . . 3.250 2.371 2.265 2.459 . 0 0 "[ . 1 . 2]" 1
533 1 57 ILE HA 1 72 VAL MG2 . . 4.420 3.491 3.125 4.100 . 0 0 "[ . 1 . 2]" 1
534 1 22 VAL HA 1 22 VAL MG2 . . 3.250 2.365 2.298 2.483 . 0 0 "[ . 1 . 2]" 1
535 1 50 GLY HA3 1 53 ALA MB . . 4.240 4.079 3.870 4.232 . 0 0 "[ . 1 . 2]" 1
536 1 57 ILE HA 1 57 ILE MG . . 3.150 2.467 2.384 2.499 . 0 0 "[ . 1 . 2]" 1
537 1 30 ASP HB2 1 48 LEU HB3 . . 4.610 3.863 2.795 4.613 0.003 12 0 "[ . 1 . 2]" 1
538 1 65 PHE HB2 1 70 LEU HG . . 4.670 2.820 2.031 3.451 . 0 0 "[ . 1 . 2]" 1
539 1 65 PHE HB3 1 70 LEU HG . . 4.830 2.176 2.004 2.499 . 0 0 "[ . 1 . 2]" 1
540 1 65 PHE HB3 1 70 LEU MD2 . . 3.900 2.965 2.170 3.424 . 0 0 "[ . 1 . 2]" 1
541 1 30 ASP HB2 1 48 LEU MD2 . . 5.500 3.470 2.952 4.079 . 0 0 "[ . 1 . 2]" 1
542 1 60 PHE HB3 1 72 VAL MG2 . . 3.510 2.412 1.942 2.862 . 0 0 "[ . 1 . 2]" 1
543 1 65 PHE HB3 1 70 LEU MD1 . . 3.900 2.508 2.085 3.180 . 0 0 "[ . 1 . 2]" 1
544 1 60 PHE HB2 1 72 VAL MG2 . . 3.610 2.320 1.962 2.873 . 0 0 "[ . 1 . 2]" 1
545 1 71 ILE MG 1 73 GLN HG3 . . 4.640 3.149 2.165 4.646 0.006 13 0 "[ . 1 . 2]" 1
546 1 8 ILE HB 1 8 ILE MD . . 3.400 2.344 2.239 2.457 . 0 0 "[ . 1 . 2]" 1
547 1 8 ILE MD 1 45 VAL HB . . 3.690 2.918 2.295 3.258 . 0 0 "[ . 1 . 2]" 1
548 1 8 ILE HG13 1 45 VAL HB . . 3.530 2.237 2.008 2.451 . 0 0 "[ . 1 . 2]" 1
549 1 8 ILE HB 1 72 VAL MG1 . . 3.550 2.248 2.090 2.420 . 0 0 "[ . 1 . 2]" 1
550 1 71 ILE HG13 1 71 ILE MG . . 3.400 2.953 2.295 3.198 . 0 0 "[ . 1 . 2]" 1
551 1 25 LEU HB2 1 25 LEU MD2 . . 3.630 2.477 2.343 2.592 . 0 0 "[ . 1 . 2]" 1
552 1 25 LEU HB3 1 25 LEU MD2 . . 3.630 2.156 2.040 2.322 . 0 0 "[ . 1 . 2]" 1
553 1 36 VAL HA 1 43 ALA MB . . 4.310 2.392 2.055 2.685 . 0 0 "[ . 1 . 2]" 1
554 1 21 GLU HA 1 21 GLU HG2 . . 3.960 3.211 2.391 3.637 . 0 0 "[ . 1 . 2]" 1
555 1 21 GLU HA 1 21 GLU HG3 . . 3.960 3.164 2.345 3.653 . 0 0 "[ . 1 . 2]" 1
556 1 24 ASP HA 1 27 LYS HB2 . . 4.380 4.187 3.785 4.379 . 0 0 "[ . 1 . 2]" 1
557 1 59 MET HA 1 59 MET ME . . 4.370 3.321 1.822 4.300 . 0 0 "[ . 1 . 2]" 1
558 1 31 LEU HA 1 45 VAL MG1 . . 4.110 3.413 3.164 3.700 . 0 0 "[ . 1 . 2]" 1
559 1 40 LYS HA 1 40 LYS HG3 . . 4.110 3.328 2.994 3.728 . 0 0 "[ . 1 . 2]" 1
560 1 57 ILE MD 1 74 LEU HA . . 3.870 3.088 2.681 3.612 . 0 0 "[ . 1 . 2]" 1
561 1 74 LEU HA 1 74 LEU HG . . 4.260 2.995 2.577 3.720 . 0 0 "[ . 1 . 2]" 1
562 1 75 GLN HA 1 75 GLN HG3 . . 4.160 3.222 2.776 3.698 . 0 0 "[ . 1 . 2]" 1
563 1 75 GLN HA 1 75 GLN HG2 . . 4.160 2.432 2.165 4.150 . 0 0 "[ . 1 . 2]" 1
564 1 9 LEU HG 1 75 GLN HA . . 4.280 2.793 2.302 3.678 . 0 0 "[ . 1 . 2]" 1
565 1 19 CYS HA 1 22 VAL HB . . 3.820 2.766 2.391 3.005 . 0 0 "[ . 1 . 2]" 1
566 1 52 GLN HA 1 52 GLN HG2 . . 3.480 2.282 2.169 2.649 . 0 0 "[ . 1 . 2]" 1
567 1 52 GLN HA 1 52 GLN HG3 . . 3.480 2.971 2.568 3.172 . 0 0 "[ . 1 . 2]" 1
568 1 56 ALA HA 1 59 MET HB2 . . 4.490 2.279 2.053 2.647 . 0 0 "[ . 1 . 2]" 1
569 1 56 ALA HA 1 59 MET HB3 . . 4.490 3.640 3.377 3.920 . 0 0 "[ . 1 . 2]" 1
570 1 13 LEU HA 1 13 LEU HG . . 3.980 2.898 2.827 2.984 . 0 0 "[ . 1 . 2]" 1
571 1 50 GLY HA2 1 53 ALA MB . . 4.240 2.756 2.490 2.999 . 0 0 "[ . 1 . 2]" 1
572 1 33 TYR HB3 1 46 THR HB . . 3.590 2.982 2.738 3.167 . 0 0 "[ . 1 . 2]" 1
573 1 12 ASN HB3 1 71 ILE MD . . 4.430 3.528 2.338 4.364 . 0 0 "[ . 1 . 2]" 1
574 1 13 LEU MD1 1 17 SER HB2 . . 4.360 3.533 3.153 4.017 . 0 0 "[ . 1 . 2]" 1
575 1 13 LEU MD2 1 17 SER HB2 . . 4.360 3.191 2.900 3.429 . 0 0 "[ . 1 . 2]" 1
576 1 23 HIS HA 1 26 LEU HB2 . . 4.220 3.614 3.420 3.915 . 0 0 "[ . 1 . 2]" 1
577 1 23 HIS HA 1 31 LEU MD1 . . 3.530 2.956 2.546 3.435 . 0 0 "[ . 1 . 2]" 1
578 1 23 HIS HA 1 31 LEU MD2 . . 3.410 1.968 1.785 2.349 . 0 0 "[ . 1 . 2]" 1
579 1 38 ARG HA 1 38 ARG HG2 . . 4.190 3.316 2.387 4.213 0.023 20 0 "[ . 1 . 2]" 1
580 1 58 GLN HA 1 58 GLN HG2 . . 4.160 2.814 2.168 3.706 . 0 0 "[ . 1 . 2]" 1
581 1 58 GLN HA 1 58 GLN HG3 . . 4.160 3.347 2.516 3.765 . 0 0 "[ . 1 . 2]" 1
582 1 57 ILE MG 1 58 GLN HA . . 3.920 3.124 2.914 3.335 . 0 0 "[ . 1 . 2]" 1
583 1 54 GLN HA 1 57 ILE HB . . 3.780 3.824 3.713 3.861 0.081 4 0 "[ . 1 . 2]" 1
584 1 54 GLN HA 1 57 ILE MD . . 3.260 2.074 1.914 2.559 . 0 0 "[ . 1 . 2]" 1
585 1 54 GLN HA 1 74 LEU MD1 . . 4.660 3.835 3.075 4.383 . 0 0 "[ . 1 . 2]" 1
586 1 32 LYS HG3 1 48 LEU HA . . 4.570 3.421 2.915 4.572 0.002 7 0 "[ . 1 . 2]" 1
587 1 25 LEU HA 1 25 LEU MD2 . . 4.340 3.942 3.877 4.001 . 0 0 "[ . 1 . 2]" 1
588 1 25 LEU HA 1 25 LEU HG . . 4.030 3.091 2.947 3.225 . 0 0 "[ . 1 . 2]" 1
589 1 41 ARG HA 1 41 ARG HG2 . . 4.070 2.797 2.362 3.574 . 0 0 "[ . 1 . 2]" 1
590 1 53 ALA HA 1 56 ALA MB . . 3.370 2.330 2.130 2.556 . 0 0 "[ . 1 . 2]" 1
591 1 8 ILE MG 1 53 ALA HA . . 3.580 2.973 2.768 3.303 . 0 0 "[ . 1 . 2]" 1
592 1 40 LYS HB3 1 42 THR HB . . 4.200 3.379 3.032 4.197 . 0 0 "[ . 1 . 2]" 1
593 1 40 LYS HB2 1 42 THR HB . . 4.200 3.542 3.244 3.658 . 0 0 "[ . 1 . 2]" 1
594 1 57 ILE HA 1 57 ILE HG13 . . 3.660 2.706 2.627 2.815 . 0 0 "[ . 1 . 2]" 1
595 1 57 ILE HA 1 72 VAL MG1 . . 3.000 1.959 1.822 2.112 . 0 0 "[ . 1 . 2]" 1
596 1 57 ILE HA 1 57 ILE HG12 . . 3.390 2.726 2.635 2.812 . 0 0 "[ . 1 . 2]" 1
597 1 13 LEU MD1 1 17 SER HB3 . . 4.190 2.924 2.486 3.383 . 0 0 "[ . 1 . 2]" 1
598 1 13 LEU MD2 1 17 SER HB3 . . 4.190 3.629 3.370 3.770 . 0 0 "[ . 1 . 2]" 1
599 1 13 LEU HB2 1 14 PRO HD2 . . 4.210 3.636 3.612 3.769 . 0 0 "[ . 1 . 2]" 1
600 1 13 LEU HB3 1 14 PRO HD2 . . 4.210 2.026 1.994 2.204 . 0 0 "[ . 1 . 2]" 1
601 1 60 PHE HB3 1 72 VAL MG1 . . 4.450 4.130 3.640 4.444 . 0 0 "[ . 1 . 2]" 1
602 1 22 VAL HA 1 25 LEU HB2 . . 3.900 3.150 2.769 3.414 . 0 0 "[ . 1 . 2]" 1
603 1 22 VAL HA 1 25 LEU HB3 . . 3.900 2.390 2.111 2.616 . 0 0 "[ . 1 . 2]" 1
604 1 22 VAL HA 1 25 LEU MD2 . . 4.330 2.719 2.485 3.071 . 0 0 "[ . 1 . 2]" 1
605 1 23 HIS HB2 1 31 LEU MD2 . . 4.970 3.577 3.044 4.531 . 0 0 "[ . 1 . 2]" 1
606 1 23 HIS HB3 1 31 LEU MD2 . . 4.970 4.094 3.803 4.470 . 0 0 "[ . 1 . 2]" 1
607 1 34 CYS HB3 1 45 VAL MG2 . . 4.700 3.986 3.571 4.686 . 0 0 "[ . 1 . 2]" 1
608 1 31 LEU MD2 1 34 CYS HB3 . . 4.270 3.215 2.604 3.971 . 0 0 "[ . 1 . 2]" 1
609 1 31 LEU MD2 1 34 CYS HB2 . . 4.270 3.410 2.427 3.976 . 0 0 "[ . 1 . 2]" 1
610 1 34 CYS HB2 1 45 VAL MG2 . . 4.700 3.042 2.854 3.376 . 0 0 "[ . 1 . 2]" 1
611 1 30 ASP HB2 1 48 LEU MD1 . . 5.500 4.099 3.163 4.694 . 0 0 "[ . 1 . 2]" 1
612 1 30 ASP HB2 1 48 LEU HB2 . . 4.610 2.984 2.001 3.681 . 0 0 "[ . 1 . 2]" 1
613 1 68 LYS HE3 1 68 LYS HG3 . . 4.110 2.856 2.350 3.679 . 0 0 "[ . 1 . 2]" 1
614 1 68 LYS HE3 1 68 LYS HG2 . . 4.110 3.291 2.499 3.877 . 0 0 "[ . 1 . 2]" 1
615 1 68 LYS HE2 1 68 LYS HG2 . . 4.110 2.902 2.446 3.684 . 0 0 "[ . 1 . 2]" 1
616 1 68 LYS HE2 1 68 LYS HG3 . . 4.110 2.847 2.202 3.683 . 0 0 "[ . 1 . 2]" 1
617 1 11 LYS HE3 1 42 THR MG . . 4.630 4.087 3.020 4.632 0.002 7 0 "[ . 1 . 2]" 1
618 1 30 ASP HB3 1 48 LEU HB2 . . 4.610 2.655 2.015 3.442 . 0 0 "[ . 1 . 2]" 1
619 1 30 ASP HB3 1 48 LEU MD1 . . 5.500 3.705 2.893 4.577 . 0 0 "[ . 1 . 2]" 1
620 1 30 ASP HB3 1 48 LEU MD2 . . 5.500 3.851 3.157 4.395 . 0 0 "[ . 1 . 2]" 1
621 1 70 LEU HB2 1 72 VAL MG2 . . 3.930 3.715 3.433 3.935 0.005 19 0 "[ . 1 . 2]" 1
622 1 26 LEU HB3 1 29 TYR HB2 . . 5.000 2.994 2.707 3.222 . 0 0 "[ . 1 . 2]" 1
623 1 60 PHE HB2 1 72 VAL MG1 . . 4.030 3.291 2.813 3.623 . 0 0 "[ . 1 . 2]" 1
624 1 12 ASN HB2 1 71 ILE MD . . 4.430 2.571 1.770 4.059 . 0 0 "[ . 1 . 2]" 1
625 1 9 LEU HG 1 75 GLN HG3 . . 4.440 3.624 2.207 4.440 . 0 0 "[ . 1 . 2]" 1
626 1 10 VAL HB 1 43 ALA MB . . 3.900 2.078 1.907 2.357 . 0 0 "[ . 1 . 2]" 1
627 1 26 LEU HB3 1 31 LEU MD1 . . 4.190 2.450 2.140 2.733 . 0 0 "[ . 1 . 2]" 1
628 1 26 LEU HB2 1 31 LEU MD1 . . 4.000 2.580 1.987 3.139 . 0 0 "[ . 1 . 2]" 1
629 1 26 LEU HB2 1 31 LEU MD2 . . 4.290 2.776 2.447 3.312 . 0 0 "[ . 1 . 2]" 1
630 1 57 ILE HB 1 57 ILE MD . . 3.290 2.206 2.123 2.288 . 0 0 "[ . 1 . 2]" 1
631 1 8 ILE HG12 1 45 VAL HB . . 3.530 2.837 2.449 3.252 . 0 0 "[ . 1 . 2]" 1
632 1 11 LYS HB3 1 71 ILE MG . . 4.910 4.056 3.724 4.223 . 0 0 "[ . 1 . 2]" 1
633 1 11 LYS HB3 1 71 ILE MD . . 5.160 4.278 3.456 6.091 0.931 3 5 "[ *+ . 1 * * -2]" 1
634 1 56 ALA MB 1 57 ILE HG13 . . 3.840 3.489 3.250 3.662 . 0 0 "[ . 1 . 2]" 1
635 1 57 ILE HG13 1 72 VAL MG1 . . 4.190 3.297 2.998 3.702 . 0 0 "[ . 1 . 2]" 1
636 1 8 ILE MG 1 57 ILE HG13 . . 3.150 2.242 1.938 2.517 . 0 0 "[ . 1 . 2]" 1
637 1 11 LYS HD2 1 71 ILE MG . . 4.370 3.589 3.186 3.772 . 0 0 "[ . 1 . 2]" 1
638 1 11 LYS HD3 1 71 ILE MG . . 5.030 4.592 2.993 4.968 . 0 0 "[ . 1 . 2]" 1
639 1 57 ILE MD 1 74 LEU HG . . 4.380 3.318 1.808 4.235 . 0 0 "[ . 1 . 2]" 1
640 1 57 ILE MD 1 74 LEU HB3 . . 4.320 3.799 2.700 4.569 0.249 3 0 "[ . 1 . 2]" 1
641 1 70 LEU HB3 1 72 VAL MG2 . . 3.640 3.249 2.991 3.539 . 0 0 "[ . 1 . 2]" 1
642 1 70 LEU HB3 1 70 LEU MD2 . . 3.540 2.342 2.264 2.440 . 0 0 "[ . 1 . 2]" 1
643 1 47 LEU HG 1 56 ALA MB . . 4.870 4.701 4.450 4.910 0.040 18 0 "[ . 1 . 2]" 1
644 1 71 ILE HG12 1 71 ILE MG . . 3.400 2.515 2.155 3.200 . 0 0 "[ . 1 . 2]" 1
645 1 26 LEU HG 1 45 VAL MG1 . . 5.180 4.760 4.526 4.992 . 0 0 "[ . 1 . 2]" 1
646 1 26 LEU HG 1 45 VAL MG2 . . 4.840 4.876 4.672 5.077 0.237 3 0 "[ . 1 . 2]" 1
647 1 8 ILE HG12 1 8 ILE MG . . 3.620 2.289 2.169 2.424 . 0 0 "[ . 1 . 2]" 1
648 1 10 VAL QG 1 43 ALA MB . . 3.100 2.344 2.087 2.587 . 0 0 "[ . 1 . 2]" 1
649 1 53 ALA MB 1 57 ILE MD . . 3.560 2.434 1.940 3.047 . 0 0 "[ . 1 . 2]" 1
650 1 26 LEU QD 1 56 ALA MB . . 3.060 2.605 2.125 2.928 . 0 0 "[ . 1 . 2]" 1
651 1 31 LEU MD2 1 45 VAL MG1 . . 3.160 2.303 1.863 2.834 . 0 0 "[ . 1 . 2]" 1
652 1 63 TYR QD 1 65 PHE HB2 . . 3.330 2.520 2.235 3.200 . 0 0 "[ . 1 . 2]" 1
653 1 29 TYR HA 1 29 TYR QD . . 3.830 3.031 2.901 3.152 . 0 0 "[ . 1 . 2]" 1
654 1 29 TYR QD 1 52 GLN HG2 . . 4.490 2.853 2.139 3.368 . 0 0 "[ . 1 . 2]" 1
655 1 29 TYR QD 1 52 GLN HB2 . . 4.420 3.805 3.498 4.123 . 0 0 "[ . 1 . 2]" 1
656 1 26 LEU HB3 1 29 TYR QD . . 3.650 2.798 2.500 3.103 . 0 0 "[ . 1 . 2]" 1
657 1 26 LEU HB2 1 29 TYR QD . . 4.330 4.387 4.150 4.604 0.274 18 0 "[ . 1 . 2]" 1
658 1 29 TYR QD 1 47 LEU MD2 . . 4.190 3.338 3.098 3.628 . 0 0 "[ . 1 . 2]" 1
659 1 25 LEU MD1 1 65 PHE QD . . 3.960 3.349 2.986 3.787 . 0 0 "[ . 1 . 2]" 1
660 1 25 LEU MD2 1 65 PHE QD . . 4.740 3.689 2.635 4.305 . 0 0 "[ . 1 . 2]" 1
661 1 56 ALA MB 1 60 PHE QE . . 4.640 3.462 2.857 4.361 . 0 0 "[ . 1 . 2]" 1
662 1 25 LEU MD1 1 60 PHE QE . . 4.140 2.934 1.837 3.529 . 0 0 "[ . 1 . 2]" 1
663 1 26 LEU QD 1 60 PHE QE . . 3.960 2.515 2.160 3.211 . 0 0 "[ . 1 . 2]" 1
664 1 59 MET HB3 1 60 PHE QD . . 4.630 2.806 2.490 3.650 . 0 0 "[ . 1 . 2]" 1
665 1 21 GLU HB2 1 65 PHE QE . . 4.860 4.568 3.789 5.180 0.320 8 0 "[ . 1 . 2]" 1
666 1 11 LYS HG3 1 42 THR HA . . 5.500 5.407 4.878 5.809 0.309 7 0 "[ . 1 . 2]" 1
667 1 13 LEU HG 1 42 THR HA . . 5.270 3.436 3.031 3.910 . 0 0 "[ . 1 . 2]" 1
668 1 42 THR HA 1 42 THR MG . . 3.500 2.377 2.277 2.493 . 0 0 "[ . 1 . 2]" 1
669 1 8 ILE HA 1 74 LEU HA . . 3.600 2.703 2.269 3.035 . 0 0 "[ . 1 . 2]" 1
670 1 34 CYS HA 1 45 VAL MG2 . . 4.010 3.260 2.924 3.685 . 0 0 "[ . 1 . 2]" 1
671 1 25 LEU MD2 1 63 TYR QE . . 4.390 3.165 2.808 3.966 . 0 0 "[ . 1 . 2]" 1
672 1 63 TYR QE 1 65 PHE HB2 . . 3.690 2.826 2.204 3.840 0.150 6 0 "[ . 1 . 2]" 1
673 1 28 ASP HB2 1 29 TYR QE . . 4.940 3.675 3.020 4.666 . 0 0 "[ . 1 . 2]" 1
674 1 29 TYR QE 1 56 ALA MB . . 3.780 2.576 2.234 2.889 . 0 0 "[ . 1 . 2]" 1
675 1 31 LEU HA 1 47 LEU HA . . 3.680 3.069 2.556 3.469 . 0 0 "[ . 1 . 2]" 1
676 1 47 LEU HA 1 47 LEU HG . . 4.220 3.104 2.993 3.285 . 0 0 "[ . 1 . 2]" 1
677 1 8 ILE MG 1 9 LEU HA . . 5.500 5.503 5.469 5.530 0.030 18 0 "[ . 1 . 2]" 1
678 1 36 VAL HA 1 43 ALA HA . . 3.330 2.250 2.037 2.406 . 0 0 "[ . 1 . 2]" 1
679 1 42 THR MG 1 43 ALA HA . . 4.310 3.634 3.455 3.818 . 0 0 "[ . 1 . 2]" 1
680 1 36 VAL MG2 1 43 ALA HA . . 4.470 3.464 3.070 3.700 . 0 0 "[ . 1 . 2]" 1
681 1 7 GLY HA3 1 46 THR HA . . 4.200 3.188 2.785 3.671 . 0 0 "[ . 1 . 2]" 1
682 1 65 PHE HA 1 65 PHE QD . . 4.230 2.705 2.353 2.987 . 0 0 "[ . 1 . 2]" 1
683 1 60 PHE HA 1 60 PHE QD . . 4.030 2.960 2.466 3.115 . 0 0 "[ . 1 . 2]" 1
684 1 10 VAL HA 1 72 VAL HA . . 3.880 3.071 2.929 3.234 . 0 0 "[ . 1 . 2]" 1
685 1 11 LYS HA 1 42 THR HA . . 3.550 2.891 2.552 3.112 . 0 0 "[ . 1 . 2]" 1
686 1 34 CYS HA 1 45 VAL HA . . 3.910 2.769 2.678 2.864 . 0 0 "[ . 1 . 2]" 1
687 1 9 LEU HA 1 44 PHE HA . . 4.430 2.951 2.789 3.108 . 0 0 "[ . 1 . 2]" 1
688 1 42 THR HA 1 43 ALA H . . 3.030 2.178 2.141 2.221 . 0 0 "[ . 1 . 2]" 1
689 1 8 ILE HA 1 75 GLN H . . 3.960 3.326 2.277 3.721 . 0 0 "[ . 1 . 2]" 1
690 1 32 LYS H 1 47 LEU HA . . 4.090 3.690 3.278 4.038 . 0 0 "[ . 1 . 2]" 1
691 1 37 ASP H 1 43 ALA HA . . 4.380 3.035 2.809 3.517 . 0 0 "[ . 1 . 2]" 1
692 1 28 ASP H 1 29 TYR QD . . 4.570 4.044 3.161 4.357 . 0 0 "[ . 1 . 2]" 1
693 1 63 TYR QE 1 65 PHE QD . . 3.680 2.107 1.997 2.362 . 0 0 "[ . 1 . 2]" 1
694 1 63 TYR QE 1 65 PHE QE . . 5.050 3.969 3.601 4.373 . 0 0 "[ . 1 . 2]" 1
695 1 63 TYR QD 1 65 PHE QD . . 4.160 3.628 2.912 3.921 . 0 0 "[ . 1 . 2]" 1
696 1 65 PHE QD 1 66 ARG HD3 . . 5.500 4.672 3.366 5.139 . 0 0 "[ . 1 . 2]" 1
697 1 65 PHE QD 1 66 ARG HD2 . . 5.500 4.714 3.002 5.200 . 0 0 "[ . 1 . 2]" 1
698 1 66 ARG HA 1 66 ARG HG3 . . 4.200 3.504 2.459 3.882 . 0 0 "[ . 1 . 2]" 1
699 1 57 ILE H 1 57 ILE HG12 . . 4.090 3.629 3.455 3.851 . 0 0 "[ . 1 . 2]" 1
700 1 57 ILE HG12 1 72 VAL MG1 . . 4.100 2.560 2.054 3.388 . 0 0 "[ . 1 . 2]" 1
701 1 82 CYS HA 1 83 SER HA . . 4.580 4.417 4.324 4.560 . 0 0 "[ . 1 . 2]" 1
702 1 10 VAL H 1 43 ALA MB . . 4.010 3.807 3.530 4.006 . 0 0 "[ . 1 . 2]" 1
703 1 43 ALA H 1 43 ALA MB . . 3.250 2.442 2.328 2.545 . 0 0 "[ . 1 . 2]" 1
704 1 43 ALA MB 1 44 PHE H . . 3.570 3.175 3.010 3.349 . 0 0 "[ . 1 . 2]" 1
705 1 74 LEU H 1 74 LEU MD1 . . 4.420 4.006 3.594 4.413 . 0 0 "[ . 1 . 2]" 1
706 1 22 VAL MG1 1 43 ALA MB . . 3.800 3.595 3.124 3.762 . 0 0 "[ . 1 . 2]" 1
707 1 22 VAL H 1 22 VAL MG1 . . 3.920 3.764 3.761 3.769 . 0 0 "[ . 1 . 2]" 1
708 1 45 VAL MG1 1 46 THR H . . 3.370 2.540 2.269 2.900 . 0 0 "[ . 1 . 2]" 1
709 1 70 LEU H 1 70 LEU MD1 . . 3.940 3.598 3.461 3.790 . 0 0 "[ . 1 . 2]" 1
710 1 71 ILE H 1 72 VAL MG2 . . 4.410 4.274 4.154 4.362 . 0 0 "[ . 1 . 2]" 1
711 1 10 VAL HA 1 10 VAL QG . . 2.930 2.023 2.004 2.070 . 0 0 "[ . 1 . 2]" 1
712 1 10 VAL HA 1 72 VAL MG2 . . 3.670 3.523 3.136 3.675 0.005 12 0 "[ . 1 . 2]" 1
713 1 35 TYR HA 1 35 TYR QD . . 4.170 2.803 2.206 3.116 . 0 0 "[ . 1 . 2]" 1
714 1 60 PHE QD 1 63 TYR QD . . 4.600 4.337 3.301 4.600 . 0 0 "[ . 1 . 2]" 1
715 1 59 MET HB2 1 60 PHE QE . . 4.970 3.663 3.169 4.695 . 0 0 "[ . 1 . 2]" 1
716 1 19 CYS HA 1 23 HIS H . . 4.760 3.616 3.319 3.944 . 0 0 "[ . 1 . 2]" 1
717 1 57 ILE MD 1 74 LEU HB2 . . 4.320 2.993 1.798 4.333 0.013 11 0 "[ . 1 . 2]" 1
718 1 45 VAL H 1 45 VAL MG2 . . 3.390 2.725 2.538 2.970 . 0 0 "[ . 1 . 2]" 1
719 1 10 VAL H 1 42 THR MG . . 3.460 2.972 2.719 3.213 . 0 0 "[ . 1 . 2]" 1
720 1 42 THR MG 1 43 ALA H . . 3.200 2.448 2.039 2.874 . 0 0 "[ . 1 . 2]" 1
721 1 8 ILE H 1 8 ILE HG12 . . 4.070 2.436 2.214 2.650 . 0 0 "[ . 1 . 2]" 1
722 1 8 ILE HG13 1 8 ILE MG . . 3.620 3.189 3.177 3.200 . 0 0 "[ . 1 . 2]" 1
723 1 8 ILE MG 1 56 ALA MB . . 3.440 3.255 2.678 3.669 0.229 14 0 "[ . 1 . 2]" 1
724 1 8 ILE MG 1 53 ALA MB . . 2.960 1.926 1.799 2.218 . 0 0 "[ . 1 . 2]" 1
725 1 8 ILE MD 1 8 ILE MG . . 3.350 2.101 1.936 2.232 . 0 0 "[ . 1 . 2]" 1
726 1 8 ILE MD 1 45 VAL MG1 . . 3.720 3.075 2.695 3.407 . 0 0 "[ . 1 . 2]" 1
727 1 7 GLY HA2 1 46 THR HA . . 4.200 2.171 1.998 2.465 . 0 0 "[ . 1 . 2]" 1
728 1 11 LYS HB2 1 71 ILE HB . . 3.450 2.190 2.027 2.405 . 0 0 "[ . 1 . 2]" 1
729 1 11 LYS HB3 1 11 LYS HD3 . . 3.370 2.271 2.133 2.534 . 0 0 "[ . 1 . 2]" 1
730 1 11 LYS H 1 11 LYS HB3 . . 3.950 3.682 3.639 3.726 . 0 0 "[ . 1 . 2]" 1
731 1 11 LYS HB2 1 11 LYS HD2 . . 3.990 2.864 2.586 3.594 . 0 0 "[ . 1 . 2]" 1
732 1 26 LEU H 1 26 LEU QD . . 3.550 3.437 3.360 3.528 . 0 0 "[ . 1 . 2]" 1
733 1 27 LYS HG2 1 28 ASP H . . 4.260 2.386 1.979 3.498 . 0 0 "[ . 1 . 2]" 1
734 1 31 LEU H 1 31 LEU HB2 . . 3.710 2.353 2.287 2.462 . 0 0 "[ . 1 . 2]" 1
735 1 32 LYS H 1 32 LYS HG2 . . 4.440 3.482 2.330 4.318 . 0 0 "[ . 1 . 2]" 1
736 1 32 LYS H 1 32 LYS HG3 . . 4.440 3.095 2.461 4.059 . 0 0 "[ . 1 . 2]" 1
737 1 46 THR HA 1 46 THR MG . . 3.310 2.372 2.290 2.465 . 0 0 "[ . 1 . 2]" 1
738 1 46 THR MG 1 47 LEU H . . 3.630 3.073 2.709 3.240 . 0 0 "[ . 1 . 2]" 1
739 1 66 ARG H 1 66 ARG HG2 . . 4.380 2.985 2.472 4.211 . 0 0 "[ . 1 . 2]" 1
740 1 70 LEU HB3 1 70 LEU MD1 . . 3.540 2.412 2.297 2.506 . 0 0 "[ . 1 . 2]" 1
741 1 31 LEU HB2 1 32 LYS H . . 4.570 4.262 3.796 4.411 . 0 0 "[ . 1 . 2]" 1
742 1 36 VAL H 1 36 VAL MG1 . . 4.030 3.787 3.764 3.818 . 0 0 "[ . 1 . 2]" 1
743 1 8 ILE H 1 45 VAL HB . . 4.410 3.522 3.237 3.847 . 0 0 "[ . 1 . 2]" 1
744 1 31 LEU HG 1 45 VAL MG1 . . 3.710 2.370 2.083 2.816 . 0 0 "[ . 1 . 2]" 1
745 1 26 LEU HB2 1 45 VAL MG1 . . 3.880 3.847 3.663 3.882 0.002 18 0 "[ . 1 . 2]" 1
746 1 60 PHE QD 1 63 TYR HB2 . . 4.830 4.329 2.972 4.831 0.001 7 0 "[ . 1 . 2]" 1
747 1 60 PHE QD 1 63 TYR HB3 . . 4.830 4.422 3.636 4.817 . 0 0 "[ . 1 . 2]" 1
748 1 6 SER HA 1 53 ALA MB . . 3.280 2.871 1.976 3.234 . 0 0 "[ . 1 . 2]" 1
749 1 14 PRO HB2 1 16 ASP H . . 5.020 2.359 2.173 2.546 . 0 0 "[ . 1 . 2]" 1
750 1 15 GLN HA 1 17 SER H . . 5.310 3.842 3.742 3.979 . 0 0 "[ . 1 . 2]" 1
751 1 37 ASP HB2 1 42 THR H . . 4.100 3.472 2.996 4.101 0.001 11 0 "[ . 1 . 2]" 1
752 1 33 TYR QD 1 46 THR HB . . 5.020 4.817 4.408 5.008 . 0 0 "[ . 1 . 2]" 1
753 1 32 LYS H 1 46 THR HB . . 4.770 3.352 3.140 3.717 . 0 0 "[ . 1 . 2]" 1
754 1 10 VAL H 1 10 VAL QG . . 3.090 2.822 2.739 2.901 . 0 0 "[ . 1 . 2]" 1
755 1 14 PRO HB3 1 16 ASP H . . 5.020 4.122 3.927 4.300 . 0 0 "[ . 1 . 2]" 1
756 1 13 LEU HG 1 14 PRO HD2 . . 4.720 4.166 4.037 4.286 . 0 0 "[ . 1 . 2]" 1
757 1 13 LEU HG 1 14 PRO HD3 . . 5.300 4.899 4.766 5.021 . 0 0 "[ . 1 . 2]" 1
758 1 71 ILE HB 1 71 ILE MD . . 3.310 2.505 2.147 3.229 . 0 0 "[ . 1 . 2]" 1
759 1 57 ILE HA 1 61 HIS H . . 4.640 4.091 3.329 4.625 . 0 0 "[ . 1 . 2]" 1
760 1 21 GLU HG3 1 65 PHE QE . . 4.800 3.280 1.999 4.596 . 0 0 "[ . 1 . 2]" 1
761 1 74 LEU HG 1 75 GLN H . . 4.720 3.398 1.947 4.632 . 0 0 "[ . 1 . 2]" 1
762 1 18 ASN HB3 1 19 CYS HA . . 5.500 4.935 4.709 5.100 . 0 0 "[ . 1 . 2]" 1
763 1 8 ILE MG 1 9 LEU H . . 3.820 3.643 3.527 3.723 . 0 0 "[ . 1 . 2]" 1
764 1 36 VAL MG2 1 37 ASP H . . 4.070 3.992 3.815 4.071 0.001 15 0 "[ . 1 . 2]" 1
765 1 36 VAL H 1 36 VAL MG2 . . 4.030 2.512 2.356 2.665 . 0 0 "[ . 1 . 2]" 1
766 1 36 VAL MG1 1 37 ASP H . . 4.070 2.455 2.232 2.685 . 0 0 "[ . 1 . 2]" 1
767 1 9 LEU H 1 9 LEU HG . . 4.550 2.704 2.472 3.103 . 0 0 "[ . 1 . 2]" 1
768 1 9 LEU HG 1 75 GLN HG2 . . 4.440 2.767 2.169 3.261 . 0 0 "[ . 1 . 2]" 1
769 1 22 VAL MG2 1 43 ALA MB . . 3.800 2.885 2.589 3.133 . 0 0 "[ . 1 . 2]" 1
770 1 22 VAL H 1 22 VAL MG2 . . 3.920 2.106 1.881 2.231 . 0 0 "[ . 1 . 2]" 1
771 1 25 LEU MD1 1 63 TYR QE . . 3.260 2.331 1.949 2.824 . 0 0 "[ . 1 . 2]" 1
772 1 25 LEU MD1 1 63 TYR QD . . 3.680 3.204 2.735 3.678 . 0 0 "[ . 1 . 2]" 1
773 1 31 LEU H 1 31 LEU MD1 . . 3.430 2.169 1.822 2.514 . 0 0 "[ . 1 . 2]" 1
774 1 57 ILE H 1 57 ILE MD . . 3.650 3.253 3.119 3.436 . 0 0 "[ . 1 . 2]" 1
775 1 57 ILE MD 1 74 LEU H . . 3.440 3.569 3.164 3.833 0.393 18 0 "[ . 1 . 2]" 1
776 1 72 VAL MG1 1 73 GLN H . . 3.300 2.595 2.229 2.773 . 0 0 "[ . 1 . 2]" 1
777 1 9 LEU H 1 72 VAL MG1 . . 3.860 3.476 3.300 3.741 . 0 0 "[ . 1 . 2]" 1
778 1 62 GLN H 1 72 VAL MG2 . . 3.550 3.648 3.229 3.993 0.443 19 0 "[ . 1 . 2]" 1
779 1 74 LEU H 1 74 LEU MD2 . . 4.420 3.815 2.053 4.255 . 0 0 "[ . 1 . 2]" 1
780 1 23 HIS HD2 1 31 LEU HB3 . . 5.500 4.583 3.347 5.240 . 0 0 "[ . 1 . 2]" 1
781 1 43 ALA MB 1 44 PHE QD . . 5.500 4.912 4.378 5.105 . 0 0 "[ . 1 . 2]" 1
782 1 57 ILE MG 1 61 HIS HD2 . . 4.990 5.037 4.516 5.280 0.290 19 0 "[ . 1 . 2]" 1
783 1 33 TYR QD 1 46 THR MG . . 5.500 5.335 4.913 5.531 0.031 2 0 "[ . 1 . 2]" 1
784 1 63 TYR QD 1 70 LEU HB3 . . 5.500 4.611 4.259 4.905 . 0 0 "[ . 1 . 2]" 1
785 1 21 GLU HG2 1 65 PHE QE . . 4.800 4.032 3.255 4.762 . 0 0 "[ . 1 . 2]" 1
786 1 59 MET HB2 1 60 PHE QD . . 4.630 2.466 2.146 3.631 . 0 0 "[ . 1 . 2]" 1
787 1 59 MET HB3 1 60 PHE QE . . 4.970 3.450 2.910 4.083 . 0 0 "[ . 1 . 2]" 1
788 1 56 ALA HA 1 60 PHE QE . . 4.740 3.259 2.751 4.273 . 0 0 "[ . 1 . 2]" 1
789 1 8 ILE MD 1 60 PHE QD . . 5.500 4.806 4.318 5.340 . 0 0 "[ . 1 . 2]" 1
790 1 7 GLY HA2 1 46 THR MG . . 5.300 3.583 3.187 3.901 . 0 0 "[ . 1 . 2]" 1
791 1 7 GLY HA3 1 46 THR MG . . 5.300 3.794 3.446 4.130 . 0 0 "[ . 1 . 2]" 1
792 1 8 ILE HA 1 9 LEU HG . . 5.500 3.621 3.434 4.010 . 0 0 "[ . 1 . 2]" 1
793 1 8 ILE HA 1 53 ALA MB . . 5.500 4.253 4.016 4.544 . 0 0 "[ . 1 . 2]" 1
794 1 8 ILE HB 1 74 LEU HA . . 4.950 4.269 3.727 4.580 . 0 0 "[ . 1 . 2]" 1
795 1 9 LEU HA 1 10 VAL HB . . 5.500 4.418 4.401 4.457 . 0 0 "[ . 1 . 2]" 1
796 1 9 LEU HA 1 43 ALA H . . 5.470 4.982 4.678 5.232 . 0 0 "[ . 1 . 2]" 1
797 1 9 LEU HG 1 10 VAL H . . 5.500 5.164 4.906 5.269 . 0 0 "[ . 1 . 2]" 1
798 1 11 LYS HA 1 12 ASN HA . . 5.000 4.544 4.513 4.634 . 0 0 "[ . 1 . 2]" 1
799 1 11 LYS HB2 1 71 ILE MD . . 5.370 3.716 2.863 4.982 . 0 0 "[ . 1 . 2]" 1
800 1 11 LYS HB2 1 12 ASN HA . . 5.350 5.136 4.574 5.246 . 0 0 "[ . 1 . 2]" 1
801 1 11 LYS HB3 1 71 ILE H . . 5.500 4.978 4.724 5.227 . 0 0 "[ . 1 . 2]" 1
802 1 11 LYS HG3 1 12 ASN H . . 5.280 5.022 4.828 5.127 . 0 0 "[ . 1 . 2]" 1
803 1 11 LYS H 1 11 LYS HG3 . . 4.440 2.674 2.108 2.837 . 0 0 "[ . 1 . 2]" 1
804 1 11 LYS HD2 1 42 THR MG . . 5.500 4.830 4.321 5.099 . 0 0 "[ . 1 . 2]" 1
805 1 11 LYS HD3 1 42 THR MG . . 5.500 4.303 3.969 4.891 . 0 0 "[ . 1 . 2]" 1
806 1 11 LYS HE2 1 42 THR MG . . 4.630 3.462 2.853 4.558 . 0 0 "[ . 1 . 2]" 1
807 1 12 ASN HA 1 41 ARG HB2 . . 5.430 4.762 4.253 5.256 . 0 0 "[ . 1 . 2]" 1
808 1 13 LEU HA 1 14 PRO HG3 . . 4.970 4.489 4.434 4.510 . 0 0 "[ . 1 . 2]" 1
809 1 13 LEU HA 1 65 PHE QD . . 5.340 4.597 4.289 4.881 . 0 0 "[ . 1 . 2]" 1
810 1 13 LEU HA 1 14 PRO HG2 . . 4.970 4.534 4.459 4.563 . 0 0 "[ . 1 . 2]" 1
811 1 13 LEU H 1 14 PRO HD3 . . 5.340 5.067 5.026 5.082 . 0 0 "[ . 1 . 2]" 1
812 1 15 GLN HA 1 16 ASP HA . . 4.830 4.554 4.503 4.593 . 0 0 "[ . 1 . 2]" 1
813 1 15 GLN HG2 1 16 ASP H . . 5.500 3.718 2.159 5.473 . 0 0 "[ . 1 . 2]" 1
814 1 15 GLN HG3 1 16 ASP H . . 5.500 4.133 2.294 5.160 . 0 0 "[ . 1 . 2]" 1
815 1 19 CYS HA 1 21 GLU H . . 5.330 4.017 3.779 4.293 . 0 0 "[ . 1 . 2]" 1
816 1 20 GLN HA 1 24 ASP H . . 4.890 4.209 3.720 4.691 . 0 0 "[ . 1 . 2]" 1
817 1 20 GLN HG2 1 21 GLU H . . 5.270 4.494 2.370 5.270 0.000 6 0 "[ . 1 . 2]" 1
818 1 20 GLN HG3 1 21 GLU H . . 5.270 4.607 2.342 5.127 . 0 0 "[ . 1 . 2]" 1
819 1 20 GLN H 1 20 GLN HG2 . . 4.930 3.507 2.004 4.577 . 0 0 "[ . 1 . 2]" 1
820 1 21 GLU HA 1 25 LEU H . . 4.990 4.561 4.289 4.819 . 0 0 "[ . 1 . 2]" 1
821 1 17 SER HG 1 21 GLU HB2 . . 4.960 4.830 4.148 5.473 0.513 18 2 "[ . - 1 . + 2]" 1
822 1 17 SER HG 1 21 GLU HB3 . . 4.960 4.691 3.961 5.457 0.497 4 0 "[ . 1 . 2]" 1
823 1 21 GLU HB3 1 65 PHE QE . . 4.860 3.561 2.565 4.431 . 0 0 "[ . 1 . 2]" 1
824 1 21 GLU HG3 1 22 VAL H . . 5.120 4.562 3.966 5.039 . 0 0 "[ . 1 . 2]" 1
825 1 22 VAL HA 1 25 LEU MD1 . . 5.140 4.624 4.390 4.843 . 0 0 "[ . 1 . 2]" 1
826 1 23 HIS HA 1 26 LEU HB3 . . 5.500 5.046 4.805 5.408 . 0 0 "[ . 1 . 2]" 1
827 1 23 HIS HA 1 31 LEU HG . . 5.290 4.565 4.224 5.025 . 0 0 "[ . 1 . 2]" 1
828 1 23 HIS HA 1 23 HIS HD2 . . 5.280 3.128 2.501 3.816 . 0 0 "[ . 1 . 2]" 1
829 1 23 HIS HA 1 25 LEU H . . 5.100 4.552 4.415 4.725 . 0 0 "[ . 1 . 2]" 1
830 1 23 HIS HB2 1 31 LEU MD1 . . 5.500 5.001 4.616 5.477 . 0 0 "[ . 1 . 2]" 1
831 1 23 HIS HB3 1 31 LEU MD1 . . 5.500 4.871 4.165 5.471 . 0 0 "[ . 1 . 2]" 1
832 1 24 ASP HA 1 27 LYS H . . 4.900 3.978 3.541 4.315 . 0 0 "[ . 1 . 2]" 1
833 1 25 LEU HG 1 60 PHE QE . . 4.750 2.140 1.986 3.683 . 0 0 "[ . 1 . 2]" 1
834 1 25 LEU HG 1 60 PHE HZ . . 5.140 4.171 3.615 4.673 . 0 0 "[ . 1 . 2]" 1
835 1 26 LEU HA 1 28 ASP H . . 4.770 3.568 2.886 3.779 . 0 0 "[ . 1 . 2]" 1
836 1 25 LEU H 1 26 LEU HB2 . . 5.400 4.994 4.898 5.107 . 0 0 "[ . 1 . 2]" 1
837 1 26 LEU HB3 1 27 LYS HA . . 5.300 4.900 4.817 4.979 . 0 0 "[ . 1 . 2]" 1
838 1 24 ASP HA 1 27 LYS HA . . 4.470 4.048 3.828 4.214 . 0 0 "[ . 1 . 2]" 1
839 1 53 ALA MB 1 74 LEU HA . . 5.500 4.357 3.638 4.943 . 0 0 "[ . 1 . 2]" 1
840 1 28 ASP HB3 1 29 TYR QE . . 4.940 4.035 3.105 4.658 . 0 0 "[ . 1 . 2]" 1
841 1 29 TYR HA 1 52 GLN HE21 . . 5.500 4.834 3.627 5.467 . 0 0 "[ . 1 . 2]" 1
842 1 29 TYR HB2 1 47 LEU HG . . 5.500 5.120 4.765 5.431 . 0 0 "[ . 1 . 2]" 1
843 1 29 TYR HA 1 29 TYR QE . . 5.390 4.829 4.750 4.920 . 0 0 "[ . 1 . 2]" 1
844 1 29 TYR HB3 1 47 LEU HG . . 5.500 5.022 4.751 5.155 . 0 0 "[ . 1 . 2]" 1
845 1 26 LEU HB3 1 29 TYR HB3 . . 5.000 4.728 4.436 4.962 . 0 0 "[ . 1 . 2]" 1
846 1 31 LEU HA 1 31 LEU MD2 . . 4.740 3.673 3.637 3.743 . 0 0 "[ . 1 . 2]" 1
847 1 31 LEU HA 1 33 TYR H . . 4.920 4.002 3.731 4.265 . 0 0 "[ . 1 . 2]" 1
848 1 23 HIS HD2 1 31 LEU HB2 . . 5.500 3.961 3.252 4.689 . 0 0 "[ . 1 . 2]" 1
849 1 31 LEU HG 1 32 LYS H . . 5.160 4.142 3.678 4.403 . 0 0 "[ . 1 . 2]" 1
850 1 33 TYR HB3 1 46 THR MG . . 5.220 4.058 3.721 4.256 . 0 0 "[ . 1 . 2]" 1
851 1 33 TYR HB2 1 46 THR H . . 5.140 5.092 4.456 5.358 0.218 8 0 "[ . 1 . 2]" 1
852 1 37 ASP H 1 37 ASP HB2 . . 3.940 2.601 2.431 2.874 . 0 0 "[ . 1 . 2]" 1
853 1 34 CYS HB3 1 35 TYR H . . 5.110 4.385 4.302 4.500 . 0 0 "[ . 1 . 2]" 1
854 1 34 CYS HB2 1 35 TYR H . . 5.110 3.566 3.191 4.373 . 0 0 "[ . 1 . 2]" 1
855 1 36 VAL HB 1 37 ASP H . . 4.800 4.159 3.984 4.269 . 0 0 "[ . 1 . 2]" 1
856 1 38 ARG HA 1 38 ARG HD2 . . 5.500 4.348 2.118 5.509 0.009 15 0 "[ . 1 . 2]" 1
857 1 38 ARG HA 1 38 ARG HD3 . . 5.500 4.424 3.041 5.490 . 0 0 "[ . 1 . 2]" 1
858 1 38 ARG HB3 1 39 ASN H . . 5.120 3.783 3.256 4.559 . 0 0 "[ . 1 . 2]" 1
859 1 41 ARG HA 1 41 ARG HD2 . . 5.500 4.199 2.039 4.774 . 0 0 "[ . 1 . 2]" 1
860 1 41 ARG HA 1 41 ARG HD3 . . 5.500 4.331 2.130 4.868 . 0 0 "[ . 1 . 2]" 1
861 1 44 PHE HA 1 45 VAL HB . . 5.340 4.638 4.510 4.673 . 0 0 "[ . 1 . 2]" 1
862 1 45 VAL HB 1 46 THR H . . 4.830 4.167 4.020 4.372 . 0 0 "[ . 1 . 2]" 1
863 1 31 LEU MD2 1 45 VAL MG2 . . 4.420 2.973 2.668 3.438 . 0 0 "[ . 1 . 2]" 1
864 1 46 THR HA 1 47 LEU HB3 . . 5.500 5.717 5.689 5.739 0.239 14 0 "[ . 1 . 2]" 1
865 1 33 TYR H 1 46 THR MG . . 4.890 3.818 3.439 3.978 . 0 0 "[ . 1 . 2]" 1
866 1 47 LEU HB2 1 53 ALA MB . . 4.890 3.171 2.869 3.481 . 0 0 "[ . 1 . 2]" 1
867 1 47 LEU HB2 1 49 ASN H . . 4.780 4.026 3.542 4.409 . 0 0 "[ . 1 . 2]" 1
868 1 47 LEU HB3 1 53 ALA MB . . 4.760 4.127 3.869 4.478 . 0 0 "[ . 1 . 2]" 1
869 1 30 ASP HB3 1 48 LEU HB3 . . 4.610 3.964 2.799 4.596 . 0 0 "[ . 1 . 2]" 1
870 1 30 ASP H 1 48 LEU HB2 . . 5.330 3.959 3.422 4.524 . 0 0 "[ . 1 . 2]" 1
871 1 30 ASP H 1 48 LEU HB3 . . 5.330 4.040 3.659 4.616 . 0 0 "[ . 1 . 2]" 1
872 1 48 LEU HG 1 49 ASN H . . 5.380 3.174 2.846 3.607 . 0 0 "[ . 1 . 2]" 1
873 1 48 LEU H 1 48 LEU HG . . 4.740 4.395 4.291 4.526 . 0 0 "[ . 1 . 2]" 1
874 1 48 LEU MD2 1 49 ASN H . . 4.800 3.544 3.096 3.915 . 0 0 "[ . 1 . 2]" 1
875 1 47 LEU HG 1 53 ALA HA . . 5.120 4.554 4.250 4.772 . 0 0 "[ . 1 . 2]" 1
876 1 54 GLN HA 1 58 GLN H . . 4.940 5.241 4.849 5.485 0.545 20 2 "[ . -1 . +]" 1
877 1 54 GLN HA 1 57 ILE HG13 . . 4.900 4.037 3.806 4.390 . 0 0 "[ . 1 . 2]" 1
878 1 57 ILE MD 1 57 ILE MG . . 2.820 2.356 2.219 2.496 . 0 0 "[ . 1 . 2]" 1
879 1 58 GLN HA 1 61 HIS H . . 5.100 3.088 2.738 4.074 . 0 0 "[ . 1 . 2]" 1
880 1 58 GLN HB2 1 59 MET HA . . 5.500 4.634 4.276 5.527 0.027 18 0 "[ . 1 . 2]" 1
881 1 58 GLN HB3 1 59 MET HA . . 5.500 4.219 3.983 4.483 . 0 0 "[ . 1 . 2]" 1
882 1 61 HIS HA 1 71 ILE HA . . 5.200 3.455 3.066 4.076 . 0 0 "[ . 1 . 2]" 1
883 1 57 ILE MG 1 61 HIS HA . . 5.500 4.493 3.660 4.811 . 0 0 "[ . 1 . 2]" 1
884 1 61 HIS HA 1 72 VAL MG1 . . 5.500 4.547 3.974 4.772 . 0 0 "[ . 1 . 2]" 1
885 1 61 HIS HB3 1 72 VAL H . . 5.500 4.863 4.384 5.228 . 0 0 "[ . 1 . 2]" 1
886 1 61 HIS HB2 1 72 VAL H . . 5.500 3.581 2.986 4.499 . 0 0 "[ . 1 . 2]" 1
887 1 63 TYR QE 1 65 PHE HA . . 5.080 3.698 3.161 4.218 . 0 0 "[ . 1 . 2]" 1
888 1 65 PHE H 1 68 LYS HB3 . . 5.500 5.323 4.925 5.494 . 0 0 "[ . 1 . 2]" 1
889 1 11 LYS H 1 70 LEU HB3 . . 5.300 5.223 5.005 5.302 0.002 18 0 "[ . 1 . 2]" 1
890 1 64 SER HA 1 70 LEU HG . . 5.500 5.481 4.768 5.962 0.462 20 0 "[ . 1 . 2]" 1
891 1 69 ASP HA 1 70 LEU HG . . 5.500 4.373 3.816 4.716 . 0 0 "[ . 1 . 2]" 1
892 1 65 PHE H 1 70 LEU HG . . 5.190 4.126 3.804 4.552 . 0 0 "[ . 1 . 2]" 1
893 1 11 LYS HB2 1 71 ILE HA . . 5.500 4.935 4.775 5.093 . 0 0 "[ . 1 . 2]" 1
894 1 71 ILE HA 1 72 VAL HB . . 5.500 4.846 4.718 4.965 . 0 0 "[ . 1 . 2]" 1
895 1 12 ASN HD21 1 71 ILE MD . . 3.870 3.289 1.721 3.774 . 0 0 "[ . 1 . 2]" 1
896 1 57 ILE H 1 72 VAL MG1 . . 4.400 4.016 3.770 4.143 . 0 0 "[ . 1 . 2]" 1
897 1 60 PHE QD 1 72 VAL MG2 . . 4.960 3.715 3.151 4.336 . 0 0 "[ . 1 . 2]" 1
898 1 71 ILE MG 1 73 GLN HG2 . . 4.640 3.132 2.237 4.066 . 0 0 "[ . 1 . 2]" 1
899 1 73 GLN HG2 1 74 LEU H . . 4.920 4.225 3.367 4.856 . 0 0 "[ . 1 . 2]" 1
900 1 73 GLN H 1 73 GLN HG3 . . 4.750 3.546 2.690 4.380 . 0 0 "[ . 1 . 2]" 1
901 1 73 GLN HG3 1 74 LEU H . . 4.920 4.423 3.566 4.892 . 0 0 "[ . 1 . 2]" 1
902 1 54 GLN HE22 1 74 LEU MD2 . . 4.480 2.875 1.815 4.326 . 0 0 "[ . 1 . 2]" 1
903 1 54 GLN HE21 1 74 LEU MD2 . . 4.480 2.926 1.985 4.101 . 0 0 "[ . 1 . 2]" 1
904 1 75 GLN HA 1 76 PRO HG2 . . 5.500 4.440 4.334 4.585 . 0 0 "[ . 1 . 2]" 1
905 1 75 GLN HA 1 76 PRO HG3 . . 5.500 4.424 4.358 4.526 . 0 0 "[ . 1 . 2]" 1
906 1 76 PRO HA 1 77 THR HA . . 5.500 4.594 4.331 5.018 . 0 0 "[ . 1 . 2]" 1
907 1 77 THR HA 1 78 ASP HA . . 5.500 4.451 4.350 4.780 . 0 0 "[ . 1 . 2]" 1
908 1 76 PRO HA 1 77 THR HB . . 5.500 5.012 4.531 5.587 0.087 17 0 "[ . 1 . 2]" 1
909 1 77 THR HB 1 78 ASP HA . . 5.500 4.937 4.622 5.545 0.045 14 0 "[ . 1 . 2]" 1
910 1 80 LEU HG 1 81 LEU H . . 5.190 3.876 2.147 5.304 0.114 15 0 "[ . 1 . 2]" 1
911 1 38 ARG HA 1 41 ARG H . . 4.060 3.075 2.832 3.473 . 0 0 "[ . 1 . 2]" 1
912 1 33 TYR QD 1 34 CYS HA . . 5.500 3.767 3.055 4.570 . 0 0 "[ . 1 . 2]" 1
913 1 43 ALA HA 1 44 PHE QD . . 4.950 4.011 3.139 4.413 . 0 0 "[ . 1 . 2]" 1
914 1 22 VAL HA 1 26 LEU H . . 4.890 4.019 3.843 4.232 . 0 0 "[ . 1 . 2]" 1
915 1 63 TYR H 1 70 LEU HG . . 5.360 4.827 4.053 5.337 . 0 0 "[ . 1 . 2]" 1
916 1 25 LEU MD2 1 26 LEU HG . . 4.790 3.043 2.686 3.499 . 0 0 "[ . 1 . 2]" 1
917 1 8 ILE MD 1 45 VAL MG2 . . 3.860 3.438 2.830 3.704 . 0 0 "[ . 1 . 2]" 1
918 1 18 ASN HB2 1 19 CYS HA . . 5.500 5.041 4.898 5.126 . 0 0 "[ . 1 . 2]" 1
919 1 25 LEU MD2 1 60 PHE QE . . 5.020 3.135 2.142 4.212 . 0 0 "[ . 1 . 2]" 1
920 1 25 LEU MD2 1 60 PHE QD . . 4.720 2.514 2.125 3.548 . 0 0 "[ . 1 . 2]" 1
921 1 25 LEU HG 1 60 PHE QD . . 4.900 3.093 2.202 3.889 . 0 0 "[ . 1 . 2]" 1
922 1 12 ASN HD22 1 68 LYS HB2 . . 5.500 5.181 4.701 5.499 . 0 0 "[ . 1 . 2]" 1
923 1 61 HIS H 1 72 VAL HB . . 4.400 3.480 2.744 4.205 . 0 0 "[ . 1 . 2]" 1
924 1 25 LEU MD1 1 60 PHE QD . . 3.950 3.278 2.039 3.967 0.017 19 0 "[ . 1 . 2]" 1
925 1 25 LEU MD1 1 26 LEU H . . 4.790 4.491 4.371 4.545 . 0 0 "[ . 1 . 2]" 1
926 1 25 LEU H 1 25 LEU MD1 . . 4.060 4.098 3.940 4.226 0.166 5 0 "[ . 1 . 2]" 1
927 1 11 LYS H 1 71 ILE MG . . 4.110 3.739 3.307 3.889 . 0 0 "[ . 1 . 2]" 1
928 1 71 ILE MG 1 73 GLN H . . 4.380 4.197 4.016 4.351 . 0 0 "[ . 1 . 2]" 1
929 1 12 ASN HA 1 41 ARG HB3 . . 5.430 4.405 3.900 5.367 . 0 0 "[ . 1 . 2]" 1
930 1 46 THR HA 1 47 LEU HB2 . . 4.900 4.578 4.490 4.741 . 0 0 "[ . 1 . 2]" 1
931 1 11 LYS HG2 1 42 THR HA . . 5.500 4.045 3.522 4.400 . 0 0 "[ . 1 . 2]" 1
932 1 42 THR HA 1 43 ALA MB . . 4.740 3.919 3.849 3.988 . 0 0 "[ . 1 . 2]" 1
933 1 8 ILE HB 1 73 GLN HA . . 5.500 5.096 4.755 5.483 . 0 0 "[ . 1 . 2]" 1
934 1 57 ILE HG13 1 73 GLN HA . . 5.500 5.334 4.771 5.506 0.006 19 0 "[ . 1 . 2]" 1
935 1 25 LEU MD2 1 63 TYR QD . . 4.050 2.993 2.474 3.522 . 0 0 "[ . 1 . 2]" 1
936 1 26 LEU HG 1 29 TYR QD . . 5.500 4.457 4.142 4.844 . 0 0 "[ . 1 . 2]" 1
937 1 26 LEU HG 1 60 PHE QE . . 5.500 3.045 2.099 4.593 . 0 0 "[ . 1 . 2]" 1
938 1 11 LYS HB2 1 71 ILE MG . . 4.280 2.753 2.444 2.910 . 0 0 "[ . 1 . 2]" 1
939 1 14 PRO HG3 1 65 PHE QD . . 4.620 2.952 2.585 3.139 . 0 0 "[ . 1 . 2]" 1
940 1 65 PHE HB2 1 70 LEU H . . 5.290 4.177 3.481 4.755 . 0 0 "[ . 1 . 2]" 1
941 1 65 PHE HB3 1 70 LEU H . . 5.500 3.642 3.206 4.016 . 0 0 "[ . 1 . 2]" 1
942 1 63 TYR HA 1 64 SER HB2 . . 5.500 4.420 4.265 4.661 . 0 0 "[ . 1 . 2]" 1
943 1 63 TYR HA 1 64 SER HB3 . . 5.500 4.907 4.567 5.156 . 0 0 "[ . 1 . 2]" 1
944 1 61 HIS HE1 1 71 ILE MG . . 2.970 2.699 2.107 3.159 0.189 19 0 "[ . 1 . 2]" 1
945 1 61 HIS HE1 1 71 ILE HA . . 3.660 3.454 3.139 3.699 0.039 19 0 "[ . 1 . 2]" 1
946 1 61 HIS HE1 1 72 VAL H . . 4.520 4.414 3.751 4.534 0.014 19 0 "[ . 1 . 2]" 1
947 1 23 HIS HE1 1 31 LEU HB3 . . 5.500 5.030 3.944 5.500 0.000 14 0 "[ . 1 . 2]" 1
948 1 23 HIS HE1 1 31 LEU HB2 . . 5.500 4.204 3.453 4.922 . 0 0 "[ . 1 . 2]" 1
949 1 23 HIS HE1 1 31 LEU MD2 . . 4.920 4.271 3.481 4.837 . 0 0 "[ . 1 . 2]" 1
950 1 71 ILE MG 1 72 VAL H . . 3.960 3.053 2.523 3.251 . 0 0 "[ . 1 . 2]" 1
951 1 5 SER QB 1 6 SER H . . 4.460 3.643 2.874 4.057 . 0 0 "[ . 1 . 2]" 1
952 1 6 SER H 1 6 SER QB . . 3.680 2.580 2.171 3.320 . 0 0 "[ . 1 . 2]" 1
953 1 6 SER H 1 50 GLY QA . . 4.560 3.423 2.047 3.810 . 0 0 "[ . 1 . 2]" 1
954 1 6 SER HA 1 50 GLY QA . . 3.910 2.079 1.982 2.262 . 0 0 "[ . 1 . 2]" 1
955 1 6 SER QB 1 47 LEU H . . 4.210 3.639 2.738 4.129 . 0 0 "[ . 1 . 2]" 1
956 1 7 GLY QA 1 8 ILE H . . 3.050 2.160 2.111 2.234 . 0 0 "[ . 1 . 2]" 1
957 1 7 GLY QA 1 8 ILE MG . . 5.340 3.574 3.417 3.804 . 0 0 "[ . 1 . 2]" 1
958 1 7 GLY QA 1 8 ILE QG . . 4.400 3.466 3.357 3.558 . 0 0 "[ . 1 . 2]" 1
959 1 7 GLY QA 1 46 THR HA . . 3.680 2.130 1.967 2.391 . 0 0 "[ . 1 . 2]" 1
960 1 7 GLY QA 1 46 THR MG . . 4.670 3.270 2.939 3.508 . 0 0 "[ . 1 . 2]" 1
961 1 7 GLY QA 1 47 LEU H . . 4.120 2.300 1.921 3.088 . 0 0 "[ . 1 . 2]" 1
962 1 7 GLY QA 1 47 LEU QD . . 5.280 3.887 3.471 4.377 . 0 0 "[ . 1 . 2]" 1
963 1 7 GLY QA 1 75 GLN QB . . 4.760 3.438 2.205 4.296 . 0 0 "[ . 1 . 2]" 1
964 1 7 GLY QA 1 75 GLN QG . . 5.180 2.728 2.030 3.809 . 0 0 "[ . 1 . 2]" 1
965 1 7 GLY QA 1 75 GLN QE . . 4.700 3.577 2.698 4.321 . 0 0 "[ . 1 . 2]" 1
966 1 8 ILE H 1 8 ILE QG . . 3.340 2.299 2.135 2.448 . 0 0 "[ . 1 . 2]" 1
967 1 8 ILE H 1 75 GLN QE . . 4.690 4.154 3.365 4.437 . 0 0 "[ . 1 . 2]" 1
968 1 8 ILE HA 1 9 LEU QD . . 5.040 3.974 3.751 4.408 . 0 0 "[ . 1 . 2]" 1
969 1 8 ILE HA 1 74 LEU QD . . 4.660 3.725 3.489 4.089 . 0 0 "[ . 1 . 2]" 1
970 1 8 ILE HA 1 75 GLN QG . . 5.090 2.942 2.333 3.463 . 0 0 "[ . 1 . 2]" 1
971 1 8 ILE HB 1 10 VAL QG . . 5.340 4.288 4.047 4.586 . 0 0 "[ . 1 . 2]" 1
972 1 8 ILE QG 1 8 ILE MG . . 2.980 2.240 2.135 2.354 . 0 0 "[ . 1 . 2]" 1
973 1 8 ILE MG 1 26 LEU QD . . 3.840 4.125 3.869 4.555 0.715 3 2 "[ + . 1 .- 2]" 1
974 1 8 ILE MG 1 47 LEU QD . . 3.810 2.287 1.929 2.811 . 0 0 "[ . 1 . 2]" 1
975 1 8 ILE QG 1 9 LEU H . . 4.980 3.805 3.600 3.938 . 0 0 "[ . 1 . 2]" 1
976 1 8 ILE QG 1 9 LEU HA . . 5.340 4.143 3.983 4.234 . 0 0 "[ . 1 . 2]" 1
977 1 8 ILE QG 1 26 LEU QD . . 3.870 3.352 3.077 3.691 . 0 0 "[ . 1 . 2]" 1
978 1 8 ILE QG 1 45 VAL H . . 4.220 3.230 2.735 3.585 . 0 0 "[ . 1 . 2]" 1
979 1 8 ILE QG 1 45 VAL MG1 . . 4.680 3.003 2.750 3.177 . 0 0 "[ . 1 . 2]" 1
980 1 8 ILE MD 1 10 VAL QG . . 3.020 3.135 2.861 3.361 0.341 3 0 "[ . 1 . 2]" 1
981 1 8 ILE MD 1 22 VAL QG . . 3.370 4.198 3.922 4.561 1.191 3 20 [**+*************-***] 1
982 1 8 ILE MD 1 26 LEU QD . . 4.290 2.042 1.814 2.388 . 0 0 "[ . 1 . 2]" 1
983 1 9 LEU H 1 9 LEU QB . . 3.510 2.515 2.354 2.613 . 0 0 "[ . 1 . 2]" 1
984 1 9 LEU H 1 9 LEU QD . . 4.830 3.303 3.156 3.543 . 0 0 "[ . 1 . 2]" 1
985 1 9 LEU H 1 75 GLN QG . . 4.950 3.912 3.254 4.431 . 0 0 "[ . 1 . 2]" 1
986 1 9 LEU HA 1 9 LEU QD . . 3.310 2.030 1.951 2.323 . 0 0 "[ . 1 . 2]" 1
987 1 9 LEU HA 1 10 VAL QG . . 4.970 3.897 3.819 3.980 . 0 0 "[ . 1 . 2]" 1
988 1 9 LEU HA 1 75 GLN QG . . 5.340 4.210 3.401 4.685 . 0 0 "[ . 1 . 2]" 1
989 1 9 LEU QB 1 10 VAL H . . 3.860 3.086 2.866 3.200 . 0 0 "[ . 1 . 2]" 1
990 1 9 LEU QB 1 11 LYS QG . . 4.390 2.756 2.595 2.869 . 0 0 "[ . 1 . 2]" 1
991 1 9 LEU QB 1 42 THR MG . . 4.240 2.979 2.512 3.053 . 0 0 "[ . 1 . 2]" 1
992 1 9 LEU QB 1 44 PHE QD . . 5.340 4.006 3.475 4.931 . 0 0 "[ . 1 . 2]" 1
993 1 9 LEU QB 1 73 GLN H . . 3.960 3.064 2.874 3.325 . 0 0 "[ . 1 . 2]" 1
994 1 9 LEU QB 1 75 GLN QG . . 4.520 4.323 3.690 4.685 0.165 1 0 "[ . 1 . 2]" 1
995 1 9 LEU HG 1 11 LYS QG . . 5.340 5.317 5.216 5.353 0.013 18 0 "[ . 1 . 2]" 1
996 1 9 LEU HG 1 75 GLN QB . . 5.340 4.164 1.998 4.595 . 0 0 "[ . 1 . 2]" 1
997 1 9 LEU HG 1 75 GLN QG . . 3.880 2.658 1.986 3.128 . 0 0 "[ . 1 . 2]" 1
998 1 9 LEU HG 1 76 PRO QD . . 4.540 3.713 3.081 4.542 0.002 14 0 "[ . 1 . 2]" 1
999 1 9 LEU QD 1 10 VAL H . . 4.480 3.505 2.927 3.694 . 0 0 "[ . 1 . 2]" 1
1000 1 9 LEU QD 1 11 LYS QE . . 3.760 2.530 2.148 3.587 . 0 0 "[ . 1 . 2]" 1
1001 1 9 LEU QD 1 44 PHE HA . . 4.140 2.918 2.572 3.125 . 0 0 "[ . 1 . 2]" 1
1002 1 9 LEU QD 1 44 PHE QB . . 5.280 3.286 3.039 3.453 . 0 0 "[ . 1 . 2]" 1
1003 1 9 LEU QD 1 44 PHE QD . . 3.210 1.860 1.765 1.955 . 0 0 "[ . 1 . 2]" 1
1004 1 9 LEU QD 1 75 GLN HA . . 4.440 2.528 2.082 3.177 . 0 0 "[ . 1 . 2]" 1
1005 1 9 LEU QD 1 75 GLN QG . . 3.900 2.123 1.830 3.024 . 0 0 "[ . 1 . 2]" 1
1006 1 9 LEU QD 1 76 PRO QD . . 3.740 2.351 1.750 3.081 . 0 0 "[ . 1 . 2]" 1
1007 1 10 VAL HA 1 11 LYS QG . . 4.990 4.098 3.817 4.211 . 0 0 "[ . 1 . 2]" 1
1008 1 10 VAL HB 1 13 LEU QD . . 4.170 3.059 2.846 3.215 . 0 0 "[ . 1 . 2]" 1
1009 1 10 VAL HB 1 22 VAL QG . . 4.620 3.892 3.556 4.314 . 0 0 "[ . 1 . 2]" 1
1010 1 10 VAL QG 1 13 LEU H . . 5.010 4.376 4.244 4.566 . 0 0 "[ . 1 . 2]" 1
1011 1 10 VAL QG 1 13 LEU QD . . 4.120 1.663 1.592 1.713 . 0 0 "[ . 1 . 2]" 1
1012 1 10 VAL QG 1 42 THR H . . 5.440 5.367 5.354 5.387 . 0 0 "[ . 1 . 2]" 1
1013 1 10 VAL QG 1 45 VAL HB . . 5.440 3.527 3.238 3.802 . 0 0 "[ . 1 . 2]" 1
1014 1 10 VAL QG 1 71 ILE H . . 4.640 4.089 3.361 4.524 . 0 0 "[ . 1 . 2]" 1
1015 1 10 VAL QG 1 72 VAL HA . . 4.380 3.638 3.279 3.888 . 0 0 "[ . 1 . 2]" 1
1016 1 10 VAL QG 1 72 VAL MG2 . . 3.480 2.969 2.611 3.264 . 0 0 "[ . 1 . 2]" 1
1017 1 11 LYS H 1 11 LYS QG . . 3.660 2.573 2.052 2.729 . 0 0 "[ . 1 . 2]" 1
1018 1 11 LYS HA 1 11 LYS QG . . 3.700 2.421 2.371 2.679 . 0 0 "[ . 1 . 2]" 1
1019 1 11 LYS HB2 1 11 LYS QE . . 4.970 4.115 3.597 4.285 . 0 0 "[ . 1 . 2]" 1
1020 1 11 LYS QG 1 12 ASN H . . 4.630 4.035 3.944 4.151 . 0 0 "[ . 1 . 2]" 1
1021 1 11 LYS QG 1 42 THR HA . . 4.700 3.937 3.449 4.265 . 0 0 "[ . 1 . 2]" 1
1022 1 11 LYS QG 1 42 THR MG . . 4.060 2.381 2.103 2.662 . 0 0 "[ . 1 . 2]" 1
1023 1 11 LYS QG 1 72 VAL HA . . 5.340 4.717 4.102 5.059 . 0 0 "[ . 1 . 2]" 1
1024 1 12 ASN H 1 13 LEU QB . . 5.340 4.475 4.382 4.663 . 0 0 "[ . 1 . 2]" 1
1025 1 12 ASN HA 1 41 ARG QB . . 4.700 4.043 3.655 4.537 . 0 0 "[ . 1 . 2]" 1
1026 1 12 ASN QB 1 12 ASN HD22 . . 3.600 3.217 3.213 3.232 . 0 0 "[ . 1 . 2]" 1
1027 1 12 ASN QB 1 69 ASP QB . . 5.180 4.510 4.259 4.891 . 0 0 "[ . 1 . 2]" 1
1028 1 12 ASN QB 1 70 LEU HA . . 3.800 2.426 1.987 2.790 . 0 0 "[ . 1 . 2]" 1
1029 1 12 ASN QB 1 71 ILE H . . 3.790 2.300 1.975 2.781 . 0 0 "[ . 1 . 2]" 1
1030 1 12 ASN QB 1 71 ILE QG . . 4.340 2.517 1.999 3.557 . 0 0 "[ . 1 . 2]" 1
1031 1 12 ASN QB 1 71 ILE MD . . 3.850 2.472 1.720 3.728 . 0 0 "[ . 1 . 2]" 1
1032 1 12 ASN HD21 1 68 LYS QD . . 4.880 4.483 3.900 5.093 0.213 19 0 "[ . 1 . 2]" 1
1033 1 12 ASN HD21 1 69 ASP QB . . 4.400 3.067 2.808 3.655 . 0 0 "[ . 1 . 2]" 1
1034 1 12 ASN HD21 1 71 ILE QG . . 4.350 2.833 2.029 3.619 . 0 0 "[ . 1 . 2]" 1
1035 1 12 ASN HD22 1 68 LYS QD . . 4.210 3.470 3.050 3.882 . 0 0 "[ . 1 . 2]" 1
1036 1 12 ASN HD22 1 69 ASP QB . . 5.080 3.155 2.705 4.262 . 0 0 "[ . 1 . 2]" 1
1037 1 12 ASN HD22 1 71 ILE QG . . 5.310 4.021 3.613 4.737 . 0 0 "[ . 1 . 2]" 1
1038 1 13 LEU H 1 13 LEU QB . . 3.130 2.285 2.247 2.338 . 0 0 "[ . 1 . 2]" 1
1039 1 13 LEU H 1 13 LEU QD . . 3.620 3.406 3.318 3.489 . 0 0 "[ . 1 . 2]" 1
1040 1 13 LEU H 1 41 ARG QB . . 3.500 2.427 1.963 2.988 . 0 0 "[ . 1 . 2]" 1
1041 1 13 LEU HA 1 13 LEU QD . . 3.150 2.068 1.955 2.314 . 0 0 "[ . 1 . 2]" 1
1042 1 13 LEU HA 1 14 PRO QB . . 5.230 4.575 4.556 4.583 . 0 0 "[ . 1 . 2]" 1
1043 1 13 LEU HA 1 70 LEU QD . . 3.440 2.539 2.158 2.994 . 0 0 "[ . 1 . 2]" 1
1044 1 13 LEU QB 1 13 LEU QD . . 2.790 1.905 1.830 1.942 . 0 0 "[ . 1 . 2]" 1
1045 1 13 LEU QB 1 14 PRO HD2 . . 3.470 2.016 1.985 2.190 . 0 0 "[ . 1 . 2]" 1
1046 1 13 LEU QB 1 14 PRO HD3 . . 4.200 3.383 3.358 3.519 . 0 0 "[ . 1 . 2]" 1
1047 1 13 LEU QB 1 17 SER HB2 . . 4.100 2.213 1.992 2.487 . 0 0 "[ . 1 . 2]" 1
1048 1 13 LEU QB 1 17 SER HB3 . . 3.950 2.799 2.565 3.148 . 0 0 "[ . 1 . 2]" 1
1049 1 13 LEU QB 1 41 ARG HA . . 4.940 2.916 2.332 3.581 . 0 0 "[ . 1 . 2]" 1
1050 1 13 LEU QB 1 41 ARG QB . . 4.120 2.276 1.967 2.460 . 0 0 "[ . 1 . 2]" 1
1051 1 13 LEU QB 1 42 THR HA . . 5.340 3.928 3.402 4.454 . 0 0 "[ . 1 . 2]" 1
1052 1 13 LEU QD 1 14 PRO HD2 . . 3.620 1.998 1.938 2.120 . 0 0 "[ . 1 . 2]" 1
1053 1 13 LEU QD 1 14 PRO HD3 . . 3.880 2.704 2.484 3.029 . 0 0 "[ . 1 . 2]" 1
1054 1 13 LEU QD 1 17 SER HB3 . . 3.580 2.795 2.452 3.078 . 0 0 "[ . 1 . 2]" 1
1055 1 13 LEU QD 1 18 ASN H . . 5.000 4.022 3.777 4.225 . 0 0 "[ . 1 . 2]" 1
1056 1 13 LEU QD 1 41 ARG HA . . 4.800 3.171 2.611 3.575 . 0 0 "[ . 1 . 2]" 1
1057 1 13 LEU QD 1 42 THR H . . 4.120 3.189 2.683 3.742 . 0 0 "[ . 1 . 2]" 1
1058 1 13 LEU QD 1 42 THR HA . . 4.130 2.374 1.970 2.863 . 0 0 "[ . 1 . 2]" 1
1059 1 13 LEU QD 1 43 ALA H . . 3.390 2.336 1.885 2.813 . 0 0 "[ . 1 . 2]" 1
1060 1 13 LEU QD 1 43 ALA MB . . 3.120 1.998 1.870 2.182 . 0 0 "[ . 1 . 2]" 1
1061 1 13 LEU QD 1 65 PHE QD . . 4.190 3.896 3.523 4.160 . 0 0 "[ . 1 . 2]" 1
1062 1 13 LEU QD 1 70 LEU QD . . 3.400 1.930 1.756 2.240 . 0 0 "[ . 1 . 2]" 1
1063 1 14 PRO HA 1 68 LYS QG . . 3.810 3.050 2.770 3.317 . 0 0 "[ . 1 . 2]" 1
1064 1 14 PRO HA 1 68 LYS QE . . 4.120 3.610 2.936 4.076 . 0 0 "[ . 1 . 2]" 1
1065 1 14 PRO QB 1 16 ASP H . . 4.390 2.346 2.163 2.528 . 0 0 "[ . 1 . 2]" 1
1066 1 14 PRO QB 1 17 SER H . . 4.330 3.685 3.471 3.799 . 0 0 "[ . 1 . 2]" 1
1067 1 14 PRO QB 1 66 ARG QB . . 4.240 2.688 2.318 3.465 . 0 0 "[ . 1 . 2]" 1
1068 1 14 PRO QB 1 68 LYS QG . . 4.760 3.148 2.507 3.590 . 0 0 "[ . 1 . 2]" 1
1069 1 14 PRO QG 1 17 SER H . . 4.290 2.753 2.603 2.808 . 0 0 "[ . 1 . 2]" 1
1070 1 14 PRO QG 1 17 SER HB2 . . 4.090 2.107 1.987 2.399 . 0 0 "[ . 1 . 2]" 1
1071 1 14 PRO QG 1 17 SER HB3 . . 5.350 3.651 3.544 3.905 . 0 0 "[ . 1 . 2]" 1
1072 1 14 PRO QG 1 65 PHE QD . . 4.050 2.914 2.564 3.090 . 0 0 "[ . 1 . 2]" 1
1073 1 14 PRO QG 1 66 ARG QB . . 3.760 3.190 2.872 3.633 . 0 0 "[ . 1 . 2]" 1
1074 1 14 PRO QG 1 66 ARG QD . . 4.550 3.191 2.105 4.195 . 0 0 "[ . 1 . 2]" 1
1075 1 14 PRO HD2 1 70 LEU QD . . 4.530 3.423 2.922 3.749 . 0 0 "[ . 1 . 2]" 1
1076 1 14 PRO HD3 1 68 LYS QG . . 4.170 4.037 3.651 4.309 0.139 4 0 "[ . 1 . 2]" 1
1077 1 14 PRO HD3 1 70 LEU QD . . 4.190 2.737 2.175 3.217 . 0 0 "[ . 1 . 2]" 1
1078 1 15 GLN HA 1 41 ARG QG . . 4.380 4.019 3.279 4.381 0.001 19 0 "[ . 1 . 2]" 1
1079 1 15 GLN HA 1 41 ARG QD . . 4.200 4.146 3.219 4.423 0.223 10 0 "[ . 1 . 2]" 1
1080 1 17 SER HA 1 21 GLU QB . . 5.220 4.118 3.744 4.422 . 0 0 "[ . 1 . 2]" 1
1081 1 17 SER HB2 1 36 VAL QG . . 5.160 4.229 3.479 4.583 . 0 0 "[ . 1 . 2]" 1
1082 1 17 SER HB3 1 36 VAL QG . . 4.520 2.925 2.233 3.223 . 0 0 "[ . 1 . 2]" 1
1083 1 18 ASN H 1 18 ASN QD . . 3.890 3.361 2.953 3.607 . 0 0 "[ . 1 . 2]" 1
1084 1 18 ASN H 1 21 GLU QB . . 3.280 2.868 2.452 3.236 . 0 0 "[ . 1 . 2]" 1
1085 1 18 ASN H 1 21 GLU QG . . 4.400 3.925 3.260 4.496 0.096 14 0 "[ . 1 . 2]" 1
1086 1 18 ASN H 1 22 VAL QG . . 4.550 3.634 3.417 3.760 . 0 0 "[ . 1 . 2]" 1
1087 1 18 ASN H 1 36 VAL QG . . 4.080 3.457 2.949 3.783 . 0 0 "[ . 1 . 2]" 1
1088 1 18 ASN HA 1 36 VAL QG . . 3.370 2.294 1.912 2.602 . 0 0 "[ . 1 . 2]" 1
1089 1 18 ASN QB 1 19 CYS HA . . 4.680 4.438 4.349 4.513 . 0 0 "[ . 1 . 2]" 1
1090 1 18 ASN QB 1 20 GLN H . . 4.420 3.242 2.826 3.482 . 0 0 "[ . 1 . 2]" 1
1091 1 18 ASN QD 1 21 GLU QB . . 4.650 3.643 2.921 4.080 . 0 0 "[ . 1 . 2]" 1
1092 1 18 ASN QD 1 21 GLU QG . . 4.720 3.659 2.778 4.723 0.003 12 0 "[ . 1 . 2]" 1
1093 1 19 CYS HA 1 22 VAL QG . . 3.600 2.971 2.731 3.295 . 0 0 "[ . 1 . 2]" 1
1094 1 19 CYS HA 1 36 VAL QG . . 3.620 2.618 2.434 2.942 . 0 0 "[ . 1 . 2]" 1
1095 1 20 GLN H 1 20 GLN QB . . 3.700 2.364 2.162 2.603 . 0 0 "[ . 1 . 2]" 1
1096 1 20 GLN H 1 20 GLN QG . . 4.220 2.993 1.989 4.087 . 0 0 "[ . 1 . 2]" 1
1097 1 20 GLN HA 1 20 GLN QG . . 3.680 2.587 2.167 3.336 . 0 0 "[ . 1 . 2]" 1
1098 1 20 GLN HA 1 20 GLN QE . . 4.800 3.943 2.462 4.665 . 0 0 "[ . 1 . 2]" 1
1099 1 20 GLN HA 1 23 HIS QB . . 4.090 2.770 2.407 3.203 . 0 0 "[ . 1 . 2]" 1
1100 1 20 GLN QB 1 21 GLU H . . 2.960 2.686 2.445 3.366 0.406 13 0 "[ . 1 . 2]" 1
1101 1 21 GLU H 1 21 GLU QB . . 3.320 2.189 2.153 2.270 . 0 0 "[ . 1 . 2]" 1
1102 1 21 GLU H 1 21 GLU QG . . 3.800 3.507 2.802 4.094 0.294 12 0 "[ . 1 . 2]" 1
1103 1 21 GLU H 1 22 VAL QG . . 4.480 4.076 3.899 4.193 . 0 0 "[ . 1 . 2]" 1
1104 1 21 GLU HA 1 21 GLU QG . . 3.450 2.705 2.284 2.982 . 0 0 "[ . 1 . 2]" 1
1105 1 21 GLU HA 1 24 ASP QB . . 3.610 3.632 3.306 3.780 0.170 18 0 "[ . 1 . 2]" 1
1106 1 21 GLU QB 1 22 VAL H . . 3.410 2.421 2.190 2.597 . 0 0 "[ . 1 . 2]" 1
1107 1 21 GLU QB 1 22 VAL QG . . 4.360 3.008 2.806 3.105 . 0 0 "[ . 1 . 2]" 1
1108 1 21 GLU QB 1 65 PHE QE . . 4.160 3.435 2.526 4.179 0.019 20 0 "[ . 1 . 2]" 1
1109 1 21 GLU QG 1 22 VAL H . . 4.470 4.131 3.777 4.435 . 0 0 "[ . 1 . 2]" 1
1110 1 21 GLU QG 1 65 PHE QE . . 4.130 3.072 1.982 3.756 . 0 0 "[ . 1 . 2]" 1
1111 1 22 VAL H 1 22 VAL QG . . 2.880 2.095 1.876 2.215 . 0 0 "[ . 1 . 2]" 1
1112 1 22 VAL H 1 25 LEU QB . . 5.340 4.606 4.332 4.852 . 0 0 "[ . 1 . 2]" 1
1113 1 22 VAL HA 1 25 LEU QB . . 3.250 2.316 2.078 2.517 . 0 0 "[ . 1 . 2]" 1
1114 1 22 VAL QG 1 23 HIS H . . 4.160 3.097 2.951 3.285 . 0 0 "[ . 1 . 2]" 1
1115 1 22 VAL QG 1 25 LEU MD2 . . 4.490 2.769 2.432 3.054 . 0 0 "[ . 1 . 2]" 1
1116 1 22 VAL QG 1 43 ALA MB . . 3.030 2.772 2.511 2.980 . 0 0 "[ . 1 . 2]" 1
1117 1 23 HIS H 1 23 HIS QB . . 2.930 2.171 2.129 2.313 . 0 0 "[ . 1 . 2]" 1
1118 1 23 HIS HA 1 31 LEU QB . . 5.340 4.190 3.855 4.621 . 0 0 "[ . 1 . 2]" 1
1119 1 23 HIS QB 1 24 ASP H . . 3.590 2.187 2.036 2.386 . 0 0 "[ . 1 . 2]" 1
1120 1 23 HIS QB 1 31 LEU MD2 . . 4.160 3.333 2.933 3.908 . 0 0 "[ . 1 . 2]" 1
1121 1 23 HIS HE1 1 31 LEU QB . . 4.780 3.964 3.246 4.547 . 0 0 "[ . 1 . 2]" 1
1122 1 24 ASP H 1 24 ASP QB . . 3.090 2.234 2.131 2.428 . 0 0 "[ . 1 . 2]" 1
1123 1 24 ASP HA 1 27 LYS QB . . 3.580 2.660 2.219 3.075 . 0 0 "[ . 1 . 2]" 1
1124 1 24 ASP HA 1 27 LYS QD . . 4.700 3.890 3.069 4.685 . 0 0 "[ . 1 . 2]" 1
1125 1 24 ASP QB 1 25 LEU H . . 3.510 2.631 2.406 3.367 . 0 0 "[ . 1 . 2]" 1
1126 1 25 LEU QB 1 25 LEU MD2 . . 3.140 2.024 1.969 2.078 . 0 0 "[ . 1 . 2]" 1
1127 1 25 LEU QB 1 26 LEU H . . 3.200 2.449 2.282 2.651 . 0 0 "[ . 1 . 2]" 1
1128 1 25 LEU QB 1 26 LEU HG . . 4.750 3.405 3.089 3.592 . 0 0 "[ . 1 . 2]" 1
1129 1 25 LEU HG 1 26 LEU QD . . 4.070 3.495 2.928 3.828 . 0 0 "[ . 1 . 2]" 1
1130 1 25 LEU MD1 1 70 LEU QD . . 4.300 3.587 3.191 4.169 . 0 0 "[ . 1 . 2]" 1
1131 1 26 LEU HB2 1 29 TYR QB . . 4.920 4.562 4.239 4.849 . 0 0 "[ . 1 . 2]" 1
1132 1 26 LEU HB3 1 29 TYR QB . . 4.150 2.963 2.685 3.183 . 0 0 "[ . 1 . 2]" 1
1133 1 26 LEU HG 1 47 LEU QD . . 5.440 4.825 4.322 5.230 . 0 0 "[ . 1 . 2]" 1
1134 1 26 LEU QD 1 29 TYR QB . . 4.720 3.049 2.592 3.402 . 0 0 "[ . 1 . 2]" 1
1135 1 26 LEU QD 1 45 VAL MG1 . . 3.290 2.227 1.979 2.497 . 0 0 "[ . 1 . 2]" 1
1136 1 26 LEU QD 1 45 VAL MG2 . . 3.080 2.600 2.384 2.868 . 0 0 "[ . 1 . 2]" 1
1137 1 26 LEU QD 1 47 LEU HG . . 4.570 4.059 3.596 4.429 . 0 0 "[ . 1 . 2]" 1
1138 1 26 LEU QD 1 47 LEU QD . . 2.990 2.449 1.981 2.772 . 0 0 "[ . 1 . 2]" 1
1139 1 26 LEU QD 1 53 ALA HA . . 5.220 4.966 4.593 5.469 0.249 3 0 "[ . 1 . 2]" 1
1140 1 26 LEU QD 1 60 PHE QD . . 3.880 2.991 2.191 3.398 . 0 0 "[ . 1 . 2]" 1
1141 1 26 LEU QD 1 60 PHE HZ . . 5.410 2.701 1.984 4.122 . 0 0 "[ . 1 . 2]" 1
1142 1 27 LYS H 1 27 LYS QB . . 3.100 2.487 2.372 2.598 . 0 0 "[ . 1 . 2]" 1
1143 1 27 LYS H 1 27 LYS QG . . 3.260 2.202 1.976 3.165 . 0 0 "[ . 1 . 2]" 1
1144 1 27 LYS QG 1 28 ASP H . . 3.740 2.066 1.838 3.024 . 0 0 "[ . 1 . 2]" 1
1145 1 27 LYS QG 1 28 ASP HA . . 5.340 3.182 2.926 3.689 . 0 0 "[ . 1 . 2]" 1
1146 1 27 LYS QG 1 29 TYR H . . 4.930 4.485 4.377 4.874 . 0 0 "[ . 1 . 2]" 1
1147 1 28 ASP H 1 28 ASP QB . . 3.470 2.415 2.156 2.728 . 0 0 "[ . 1 . 2]" 1
1148 1 28 ASP QB 1 29 TYR H . . 4.040 2.504 2.338 2.854 . 0 0 "[ . 1 . 2]" 1
1149 1 28 ASP QB 1 29 TYR QE . . 4.320 3.205 2.947 3.487 . 0 0 "[ . 1 . 2]" 1
1150 1 29 TYR H 1 29 TYR QB . . 3.090 2.608 2.554 2.667 . 0 0 "[ . 1 . 2]" 1
1151 1 29 TYR HA 1 52 GLN QE . . 4.660 3.544 2.945 4.167 . 0 0 "[ . 1 . 2]" 1
1152 1 29 TYR QB 1 30 ASP H . . 3.410 2.582 2.206 2.876 . 0 0 "[ . 1 . 2]" 1
1153 1 29 TYR QB 1 31 LEU MD1 . . 4.480 3.125 2.855 3.465 . 0 0 "[ . 1 . 2]" 1
1154 1 29 TYR QB 1 47 LEU HG . . 4.730 4.514 4.239 4.696 . 0 0 "[ . 1 . 2]" 1
1155 1 29 TYR QB 1 47 LEU QD . . 3.280 1.937 1.799 2.065 . 0 0 "[ . 1 . 2]" 1
1156 1 29 TYR QB 1 52 GLN QB . . 5.010 3.294 3.039 3.564 . 0 0 "[ . 1 . 2]" 1
1157 1 29 TYR QD 1 47 LEU QD . . 3.550 3.010 2.862 3.110 . 0 0 "[ . 1 . 2]" 1
1158 1 29 TYR QD 1 52 GLN QB . . 3.560 2.208 1.999 2.496 . 0 0 "[ . 1 . 2]" 1
1159 1 29 TYR QD 1 52 GLN QG . . 3.860 2.793 2.124 3.252 . 0 0 "[ . 1 . 2]" 1
1160 1 29 TYR QE 1 47 LEU QD . . 5.090 3.925 3.680 4.093 . 0 0 "[ . 1 . 2]" 1
1161 1 29 TYR QE 1 52 GLN QB . . 5.010 3.346 2.895 3.863 . 0 0 "[ . 1 . 2]" 1
1162 1 29 TYR QE 1 55 ASN QB . . 3.370 3.631 2.870 3.917 0.547 5 1 "[ + 1 . 2]" 1
1163 1 29 TYR QE 1 59 MET QB . . 5.240 4.387 3.925 4.762 . 0 0 "[ . 1 . 2]" 1
1164 1 30 ASP H 1 30 ASP QB . . 3.420 2.275 2.176 2.455 . 0 0 "[ . 1 . 2]" 1
1165 1 30 ASP H 1 47 LEU QD . . 4.810 3.612 2.942 4.107 . 0 0 "[ . 1 . 2]" 1
1166 1 30 ASP H 1 48 LEU QB . . 4.510 3.550 3.198 3.957 . 0 0 "[ . 1 . 2]" 1
1167 1 30 ASP QB 1 48 LEU H . . 3.840 3.429 2.790 3.775 . 0 0 "[ . 1 . 2]" 1
1168 1 30 ASP QB 1 48 LEU HA . . 4.990 4.097 3.825 4.612 . 0 0 "[ . 1 . 2]" 1
1169 1 30 ASP QB 1 48 LEU QB . . 3.140 2.213 1.917 2.678 . 0 0 "[ . 1 . 2]" 1
1170 1 30 ASP QB 1 48 LEU QD . . 3.810 2.895 2.542 3.234 . 0 0 "[ . 1 . 2]" 1
1171 1 30 ASP QB 1 52 GLN QE . . 3.770 3.257 2.655 3.789 0.019 4 0 "[ . 1 . 2]" 1
1172 1 31 LEU H 1 31 LEU QB . . 3.190 2.324 2.261 2.422 . 0 0 "[ . 1 . 2]" 1
1173 1 31 LEU HA 1 47 LEU QD . . 3.420 3.235 2.986 3.415 . 0 0 "[ . 1 . 2]" 1
1174 1 31 LEU QB 1 32 LYS H . . 4.020 3.152 2.408 3.394 . 0 0 "[ . 1 . 2]" 1
1175 1 31 LEU QB 1 33 TYR H . . 4.690 3.771 3.464 4.148 . 0 0 "[ . 1 . 2]" 1
1176 1 31 LEU QB 1 45 VAL MG1 . . 4.900 3.358 2.861 3.745 . 0 0 "[ . 1 . 2]" 1
1177 1 31 LEU QB 1 47 LEU QD . . 5.280 4.436 4.174 4.662 . 0 0 "[ . 1 . 2]" 1
1178 1 31 LEU HG 1 47 LEU QD . . 4.300 3.061 2.649 3.385 . 0 0 "[ . 1 . 2]" 1
1179 1 32 LYS H 1 32 LYS QB . . 3.540 2.448 2.259 2.615 . 0 0 "[ . 1 . 2]" 1
1180 1 32 LYS H 1 32 LYS QG . . 3.770 2.727 2.307 3.711 . 0 0 "[ . 1 . 2]" 1
1181 1 32 LYS H 1 47 LEU QD . . 5.180 4.462 4.106 4.707 . 0 0 "[ . 1 . 2]" 1
1182 1 32 LYS HA 1 32 LYS QD . . 4.120 3.531 1.994 4.215 0.095 2 0 "[ . 1 . 2]" 1
1183 1 32 LYS QB 1 33 TYR H . . 3.560 2.529 2.239 2.773 . 0 0 "[ . 1 . 2]" 1
1184 1 32 LYS QB 1 46 THR HB . . 3.830 2.377 2.064 2.815 . 0 0 "[ . 1 . 2]" 1
1185 1 32 LYS QG 1 48 LEU HA . . 3.890 3.191 2.836 3.727 . 0 0 "[ . 1 . 2]" 1
1186 1 32 LYS QE 1 48 LEU HA . . 5.340 3.087 1.845 4.703 . 0 0 "[ . 1 . 2]" 1
1187 1 32 LYS QE 1 48 LEU QD . . 3.720 2.712 1.914 3.601 . 0 0 "[ . 1 . 2]" 1
1188 1 33 TYR QE 1 35 TYR QB . . 4.800 2.231 1.963 2.883 . 0 0 "[ . 1 . 2]" 1
1189 1 34 CYS H 1 34 CYS QB . . 3.690 2.780 2.407 2.940 . 0 0 "[ . 1 . 2]" 1
1190 1 34 CYS QB 1 35 TYR H . . 4.430 3.394 3.110 3.939 . 0 0 "[ . 1 . 2]" 1
1191 1 34 CYS QB 1 45 VAL MG2 . . 3.930 2.946 2.751 3.303 . 0 0 "[ . 1 . 2]" 1
1192 1 35 TYR H 1 36 VAL QG . . 4.730 4.114 3.894 4.263 . 0 0 "[ . 1 . 2]" 1
1193 1 35 TYR H 1 44 PHE QB . . 4.820 3.194 2.954 3.451 . 0 0 "[ . 1 . 2]" 1
1194 1 35 TYR QB 1 36 VAL H . . 4.420 3.914 3.809 3.972 . 0 0 "[ . 1 . 2]" 1
1195 1 35 TYR QB 1 44 PHE QB . . 4.250 2.646 2.324 2.988 . 0 0 "[ . 1 . 2]" 1
1196 1 35 TYR QE 1 37 ASP QB . . 3.990 3.851 2.654 4.369 0.379 7 0 "[ . 1 . 2]" 1
1197 1 36 VAL H 1 36 VAL QG . . 3.340 2.477 2.334 2.613 . 0 0 "[ . 1 . 2]" 1
1198 1 36 VAL HA 1 36 VAL QG . . 2.970 2.077 2.045 2.125 . 0 0 "[ . 1 . 2]" 1
1199 1 36 VAL QG 1 37 ASP H . . 3.120 2.432 2.217 2.645 . 0 0 "[ . 1 . 2]" 1
1200 1 36 VAL QG 1 38 ARG HA . . 4.050 3.691 3.533 4.024 . 0 0 "[ . 1 . 2]" 1
1201 1 36 VAL QG 1 43 ALA HA . . 3.530 3.235 2.917 3.422 . 0 0 "[ . 1 . 2]" 1
1202 1 36 VAL QG 1 43 ALA MB . . 2.660 1.981 1.829 2.312 . 0 0 "[ . 1 . 2]" 1
1203 1 36 VAL QG 1 44 PHE H . . 4.740 4.315 4.005 4.547 . 0 0 "[ . 1 . 2]" 1
1204 1 37 ASP QB 1 40 LYS H . . 4.920 2.768 2.362 3.139 . 0 0 "[ . 1 . 2]" 1
1205 1 37 ASP QB 1 40 LYS QB . . 4.080 2.781 2.148 3.981 . 0 0 "[ . 1 . 2]" 1
1206 1 37 ASP QB 1 41 ARG H . . 4.730 3.904 3.122 4.151 . 0 0 "[ . 1 . 2]" 1
1207 1 37 ASP QB 1 42 THR HB . . 4.350 3.129 2.801 3.483 . 0 0 "[ . 1 . 2]" 1
1208 1 38 ARG H 1 38 ARG QB . . 3.400 2.459 2.174 2.806 . 0 0 "[ . 1 . 2]" 1
1209 1 38 ARG H 1 38 ARG QG . . 3.770 2.294 1.889 3.376 . 0 0 "[ . 1 . 2]" 1
1210 1 38 ARG HA 1 38 ARG QG . . 3.560 2.888 2.226 3.422 . 0 0 "[ . 1 . 2]" 1
1211 1 38 ARG QB 1 38 ARG QD . . 3.280 2.252 2.038 2.641 . 0 0 "[ . 1 . 2]" 1
1212 1 38 ARG QG 1 39 ASN H . . 5.200 3.270 1.918 4.644 . 0 0 "[ . 1 . 2]" 1
1213 1 39 ASN H 1 39 ASN QB . . 3.680 2.318 2.140 2.626 . 0 0 "[ . 1 . 2]" 1
1214 1 39 ASN QB 1 40 LYS H . . 3.340 2.585 2.215 3.341 0.001 8 0 "[ . 1 . 2]" 1
1215 1 39 ASN QB 1 40 LYS QG . . 4.530 3.295 2.933 3.657 . 0 0 "[ . 1 . 2]" 1
1216 1 40 LYS H 1 40 LYS QB . . 3.100 2.359 2.309 2.457 . 0 0 "[ . 1 . 2]" 1
1217 1 40 LYS H 1 40 LYS QG . . 3.480 3.221 2.807 3.339 . 0 0 "[ . 1 . 2]" 1
1218 1 40 LYS HA 1 40 LYS QG . . 3.400 2.312 2.141 2.667 . 0 0 "[ . 1 . 2]" 1
1219 1 40 LYS QB 1 40 LYS QD . . 3.260 2.152 2.052 2.423 . 0 0 "[ . 1 . 2]" 1
1220 1 40 LYS QB 1 41 ARG H . . 3.460 3.567 3.299 3.639 0.179 14 0 "[ . 1 . 2]" 1
1221 1 40 LYS QB 1 42 THR H . . 3.650 3.552 3.161 3.650 . 0 0 "[ . 1 . 2]" 1
1222 1 40 LYS QB 1 42 THR HB . . 3.670 3.063 2.880 3.430 . 0 0 "[ . 1 . 2]" 1
1223 1 41 ARG H 1 41 ARG QG . . 3.840 2.639 2.365 2.859 . 0 0 "[ . 1 . 2]" 1
1224 1 41 ARG HA 1 41 ARG QG . . 3.540 2.456 2.298 3.058 . 0 0 "[ . 1 . 2]" 1
1225 1 41 ARG HA 1 41 ARG QD . . 4.780 3.738 2.029 4.181 . 0 0 "[ . 1 . 2]" 1
1226 1 44 PHE H 1 44 PHE QB . . 3.510 2.562 2.489 2.653 . 0 0 "[ . 1 . 2]" 1
1227 1 45 VAL H 1 75 GLN QE . . 4.670 4.282 2.293 4.951 0.281 14 0 "[ . 1 . 2]" 1
1228 1 47 LEU H 1 47 LEU QD . . 3.760 3.152 2.947 3.320 . 0 0 "[ . 1 . 2]" 1
1229 1 47 LEU HA 1 47 LEU QD . . 3.090 2.064 1.934 2.342 . 0 0 "[ . 1 . 2]" 1
1230 1 47 LEU HB2 1 52 GLN QB . . 4.520 3.874 3.496 4.004 . 0 0 "[ . 1 . 2]" 1
1231 1 47 LEU HB3 1 52 GLN QB . . 4.750 3.171 3.009 3.423 . 0 0 "[ . 1 . 2]" 1
1232 1 47 LEU QD 1 48 LEU H . . 3.720 3.196 2.971 3.459 . 0 0 "[ . 1 . 2]" 1
1233 1 47 LEU QD 1 52 GLN QB . . 3.710 2.557 2.364 2.758 . 0 0 "[ . 1 . 2]" 1
1234 1 47 LEU QD 1 53 ALA H . . 3.630 2.749 2.543 3.059 . 0 0 "[ . 1 . 2]" 1
1235 1 47 LEU QD 1 53 ALA HA . . 2.960 2.117 1.952 2.253 . 0 0 "[ . 1 . 2]" 1
1236 1 47 LEU QD 1 53 ALA MB . . 3.520 1.920 1.816 2.299 . 0 0 "[ . 1 . 2]" 1
1237 1 47 LEU QD 1 56 ALA H . . 4.760 4.213 3.942 4.370 . 0 0 "[ . 1 . 2]" 1
1238 1 47 LEU QD 1 56 ALA MB . . 3.040 2.476 2.242 2.667 . 0 0 "[ . 1 . 2]" 1
1239 1 48 LEU H 1 48 LEU QD . . 3.850 3.717 3.636 3.762 . 0 0 "[ . 1 . 2]" 1
1240 1 48 LEU H 1 52 GLN QB . . 4.130 4.023 3.908 4.114 . 0 0 "[ . 1 . 2]" 1
1241 1 48 LEU HA 1 48 LEU QD . . 2.820 2.262 2.069 2.577 . 0 0 "[ . 1 . 2]" 1
1242 1 48 LEU QB 1 48 LEU QD . . 2.650 1.887 1.781 1.941 . 0 0 "[ . 1 . 2]" 1
1243 1 48 LEU QB 1 49 ASN H . . 3.300 2.186 1.990 2.394 . 0 0 "[ . 1 . 2]" 1
1244 1 48 LEU QB 1 52 GLN QG . . 4.650 4.242 3.996 4.577 . 0 0 "[ . 1 . 2]" 1
1245 1 48 LEU QB 1 52 GLN QE . . 3.810 2.196 1.747 3.036 . 0 0 "[ . 1 . 2]" 1
1246 1 48 LEU HG 1 49 ASN QD . . 3.940 2.690 2.040 3.467 . 0 0 "[ . 1 . 2]" 1
1247 1 48 LEU QD 1 49 ASN H . . 3.970 3.378 3.022 3.666 . 0 0 "[ . 1 . 2]" 1
1248 1 48 LEU QD 1 49 ASN QD . . 3.500 2.309 1.772 2.785 . 0 0 "[ . 1 . 2]" 1
1249 1 48 LEU QD 1 52 GLN QE . . 3.400 2.668 2.238 3.342 . 0 0 "[ . 1 . 2]" 1
1250 1 49 ASN H 1 49 ASN QB . . 3.690 2.632 2.289 3.148 . 0 0 "[ . 1 . 2]" 1
1251 1 49 ASN H 1 52 GLN QB . . 3.520 2.959 2.838 3.052 . 0 0 "[ . 1 . 2]" 1
1252 1 49 ASN H 1 52 GLN QG . . 4.090 3.782 3.353 4.085 . 0 0 "[ . 1 . 2]" 1
1253 1 49 ASN QB 1 50 GLY H . . 4.240 2.345 2.035 2.697 . 0 0 "[ . 1 . 2]" 1
1254 1 49 ASN QB 1 51 GLU H . . 3.770 3.032 2.633 3.274 . 0 0 "[ . 1 . 2]" 1
1255 1 50 GLY QA 1 53 ALA H . . 3.880 3.203 3.025 3.342 . 0 0 "[ . 1 . 2]" 1
1256 1 50 GLY QA 1 53 ALA MB . . 3.440 2.714 2.462 2.940 . 0 0 "[ . 1 . 2]" 1
1257 1 51 GLU H 1 51 GLU QB . . 2.990 2.348 2.184 2.583 . 0 0 "[ . 1 . 2]" 1
1258 1 51 GLU H 1 51 GLU QG . . 4.220 3.142 2.044 4.051 . 0 0 "[ . 1 . 2]" 1
1259 1 51 GLU HA 1 51 GLU QG . . 3.580 2.510 2.176 3.421 . 0 0 "[ . 1 . 2]" 1
1260 1 51 GLU HA 1 54 GLN QB . . 3.290 2.735 2.424 3.130 . 0 0 "[ . 1 . 2]" 1
1261 1 51 GLU QG 1 52 GLN H . . 4.840 3.966 2.041 4.413 . 0 0 "[ . 1 . 2]" 1
1262 1 52 GLN H 1 52 GLN QB . . 3.380 2.203 2.160 2.262 . 0 0 "[ . 1 . 2]" 1
1263 1 52 GLN H 1 52 GLN QG . . 3.180 2.747 2.612 2.910 . 0 0 "[ . 1 . 2]" 1
1264 1 52 GLN HA 1 52 GLN QG . . 3.000 2.201 2.132 2.322 . 0 0 "[ . 1 . 2]" 1
1265 1 52 GLN HA 1 55 ASN QB . . 3.820 3.656 3.432 3.813 . 0 0 "[ . 1 . 2]" 1
1266 1 52 GLN HA 1 55 ASN QD . . 4.990 3.593 2.592 4.069 . 0 0 "[ . 1 . 2]" 1
1267 1 52 GLN QB 1 53 ALA H . . 3.500 2.603 2.506 2.740 . 0 0 "[ . 1 . 2]" 1
1268 1 52 GLN QG 1 53 ALA H . . 4.930 4.305 4.217 4.366 . 0 0 "[ . 1 . 2]" 1
1269 1 53 ALA MB 1 74 LEU QD . . 3.320 2.662 2.015 3.224 . 0 0 "[ . 1 . 2]" 1
1270 1 54 GLN H 1 54 GLN QB . . 2.850 2.506 2.325 2.647 . 0 0 "[ . 1 . 2]" 1
1271 1 54 GLN H 1 54 GLN QG . . 3.590 2.310 1.890 3.246 . 0 0 "[ . 1 . 2]" 1
1272 1 54 GLN H 1 74 LEU QD . . 4.310 3.901 3.479 4.233 . 0 0 "[ . 1 . 2]" 1
1273 1 54 GLN HA 1 54 GLN QG . . 3.640 2.687 2.237 2.999 . 0 0 "[ . 1 . 2]" 1
1274 1 54 GLN HA 1 74 LEU QD . . 3.810 3.422 2.985 3.774 . 0 0 "[ . 1 . 2]" 1
1275 1 54 GLN QB 1 55 ASN H . . 3.150 2.701 2.546 2.818 . 0 0 "[ . 1 . 2]" 1
1276 1 54 GLN QB 1 56 ALA H . . 5.020 4.951 4.725 5.086 0.066 2 0 "[ . 1 . 2]" 1
1277 1 54 GLN QG 1 55 ASN H . . 4.730 4.231 3.984 4.606 . 0 0 "[ . 1 . 2]" 1
1278 1 54 GLN QE 1 74 LEU QD . . 3.440 2.020 1.645 2.779 . 0 0 "[ . 1 . 2]" 1
1279 1 55 ASN H 1 55 ASN QB . . 2.860 2.357 2.220 2.505 . 0 0 "[ . 1 . 2]" 1
1280 1 55 ASN H 1 55 ASN QD . . 4.220 2.387 1.893 3.420 . 0 0 "[ . 1 . 2]" 1
1281 1 55 ASN HA 1 58 GLN QB . . 3.580 3.597 3.172 3.803 0.223 12 0 "[ . 1 . 2]" 1
1282 1 55 ASN HA 1 58 GLN QG . . 5.340 4.770 4.209 5.060 . 0 0 "[ . 1 . 2]" 1
1283 1 55 ASN QB 1 56 ALA H . . 3.320 2.252 2.032 2.429 . 0 0 "[ . 1 . 2]" 1
1284 1 55 ASN QB 1 59 MET H . . 5.340 4.282 4.224 4.429 . 0 0 "[ . 1 . 2]" 1
1285 1 56 ALA H 1 59 MET QB . . 4.690 4.146 3.925 4.405 . 0 0 "[ . 1 . 2]" 1
1286 1 56 ALA HA 1 59 MET QB . . 3.880 2.256 2.038 2.608 . 0 0 "[ . 1 . 2]" 1
1287 1 57 ILE H 1 58 GLN QB . . 4.750 4.809 4.296 5.032 0.282 14 0 "[ . 1 . 2]" 1
1288 1 57 ILE HB 1 58 GLN QB . . 4.870 3.989 3.697 4.136 . 0 0 "[ . 1 . 2]" 1
1289 1 57 ILE MG 1 61 HIS QB . . 3.440 2.817 2.525 2.953 . 0 0 "[ . 1 . 2]" 1
1290 1 57 ILE MD 1 74 LEU QB . . 3.740 2.816 1.775 3.909 0.169 3 0 "[ . 1 . 2]" 1
1291 1 57 ILE MD 1 74 LEU QD . . 3.270 2.031 1.578 2.394 . 0 0 "[ . 1 . 2]" 1
1292 1 58 GLN H 1 58 GLN QB . . 2.820 2.273 2.141 2.416 . 0 0 "[ . 1 . 2]" 1
1293 1 58 GLN H 1 58 GLN QG . . 3.640 2.865 2.260 3.856 0.216 18 0 "[ . 1 . 2]" 1
1294 1 58 GLN QB 1 59 MET H . . 3.860 2.549 2.286 2.848 . 0 0 "[ . 1 . 2]" 1
1295 1 58 GLN QG 1 59 MET H . . 5.040 4.085 2.597 4.568 . 0 0 "[ . 1 . 2]" 1
1296 1 59 MET H 1 59 MET QB . . 2.960 2.356 2.173 2.537 . 0 0 "[ . 1 . 2]" 1
1297 1 59 MET H 1 59 MET QG . . 3.770 2.431 2.033 2.922 . 0 0 "[ . 1 . 2]" 1
1298 1 59 MET HA 1 59 MET QG . . 3.530 2.567 2.177 2.907 . 0 0 "[ . 1 . 2]" 1
1299 1 59 MET QB 1 60 PHE QD . . 4.070 2.295 2.104 3.243 . 0 0 "[ . 1 . 2]" 1
1300 1 59 MET QB 1 60 PHE QE . . 4.330 3.142 2.716 3.846 . 0 0 "[ . 1 . 2]" 1
1301 1 59 MET QG 1 60 PHE H . . 4.770 4.248 4.020 4.530 . 0 0 "[ . 1 . 2]" 1
1302 1 60 PHE HA 1 61 HIS QB . . 5.320 5.045 4.811 5.134 . 0 0 "[ . 1 . 2]" 1
1303 1 60 PHE HA 1 63 TYR QB . . 3.580 2.654 2.381 2.783 . 0 0 "[ . 1 . 2]" 1
1304 1 60 PHE HB2 1 63 TYR QB . . 5.100 4.569 4.403 4.751 . 0 0 "[ . 1 . 2]" 1
1305 1 61 HIS QB 1 61 HIS HD2 . . 3.480 2.637 2.625 2.655 . 0 0 "[ . 1 . 2]" 1
1306 1 61 HIS QB 1 62 GLN H . . 4.030 3.715 3.506 3.834 . 0 0 "[ . 1 . 2]" 1
1307 1 61 HIS QB 1 72 VAL HB . . 4.000 3.101 2.438 3.394 . 0 0 "[ . 1 . 2]" 1
1308 1 61 HIS HD2 1 62 GLN QB . . 5.030 4.404 4.091 4.723 . 0 0 "[ . 1 . 2]" 1
1309 1 61 HIS HD2 1 62 GLN QG . . 3.990 3.243 2.734 3.947 . 0 0 "[ . 1 . 2]" 1
1310 1 61 HIS HE1 1 71 ILE QG . . 3.770 3.069 2.363 3.979 0.209 3 0 "[ . 1 . 2]" 1
1311 1 62 GLN H 1 62 GLN QG . . 3.820 2.884 2.650 3.452 . 0 0 "[ . 1 . 2]" 1
1312 1 62 GLN HA 1 62 GLN QG . . 3.520 2.753 2.211 3.434 . 0 0 "[ . 1 . 2]" 1
1313 1 62 GLN HA 1 62 GLN QE . . 4.830 4.394 3.435 4.811 . 0 0 "[ . 1 . 2]" 1
1314 1 62 GLN HA 1 69 ASP QB . . 4.190 2.398 2.013 2.835 . 0 0 "[ . 1 . 2]" 1
1315 1 63 TYR H 1 70 LEU QD . . 4.410 4.225 3.799 4.505 0.095 19 0 "[ . 1 . 2]" 1
1316 1 63 TYR QB 1 64 SER H . . 3.770 3.377 3.283 3.521 . 0 0 "[ . 1 . 2]" 1
1317 1 63 TYR QB 1 70 LEU QD . . 4.060 3.025 2.642 3.686 . 0 0 "[ . 1 . 2]" 1
1318 1 63 TYR QD 1 70 LEU QD . . 3.430 2.092 1.836 2.886 . 0 0 "[ . 1 . 2]" 1
1319 1 63 TYR QE 1 70 LEU QD . . 4.580 3.318 2.921 3.830 . 0 0 "[ . 1 . 2]" 1
1320 1 64 SER H 1 64 SER QB . . 2.770 2.280 2.224 2.344 . 0 0 "[ . 1 . 2]" 1
1321 1 64 SER QB 1 65 PHE H . . 4.420 3.884 3.770 3.987 . 0 0 "[ . 1 . 2]" 1
1322 1 65 PHE HA 1 66 ARG QG . . 4.570 3.746 3.415 4.432 . 0 0 "[ . 1 . 2]" 1
1323 1 65 PHE HB2 1 70 LEU QD . . 3.560 2.137 1.940 2.604 . 0 0 "[ . 1 . 2]" 1
1324 1 65 PHE HB3 1 70 LEU QD . . 3.210 2.309 2.068 2.678 . 0 0 "[ . 1 . 2]" 1
1325 1 65 PHE QD 1 66 ARG QG . . 4.680 2.992 2.351 4.289 . 0 0 "[ . 1 . 2]" 1
1326 1 65 PHE QD 1 66 ARG QD . . 4.650 4.080 2.959 4.381 . 0 0 "[ . 1 . 2]" 1
1327 1 65 PHE QD 1 70 LEU QD . . 3.330 2.409 1.942 2.916 . 0 0 "[ . 1 . 2]" 1
1328 1 65 PHE QE 1 66 ARG QG . . 5.190 3.042 2.361 4.439 . 0 0 "[ . 1 . 2]" 1
1329 1 65 PHE QE 1 66 ARG QD . . 4.550 3.565 2.547 4.374 . 0 0 "[ . 1 . 2]" 1
1330 1 66 ARG H 1 66 ARG QG . . 3.680 2.659 2.452 2.957 . 0 0 "[ . 1 . 2]" 1
1331 1 66 ARG H 1 66 ARG QD . . 5.340 3.967 3.120 4.834 . 0 0 "[ . 1 . 2]" 1
1332 1 66 ARG HA 1 66 ARG QG . . 3.520 2.629 2.212 2.924 . 0 0 "[ . 1 . 2]" 1
1333 1 66 ARG HA 1 67 GLY QA . . 5.230 4.039 4.020 4.054 . 0 0 "[ . 1 . 2]" 1
1334 1 66 ARG QB 1 68 LYS H . . 5.140 3.341 3.030 3.660 . 0 0 "[ . 1 . 2]" 1
1335 1 68 LYS H 1 68 LYS QG . . 3.620 2.748 2.347 3.230 . 0 0 "[ . 1 . 2]" 1
1336 1 68 LYS H 1 68 LYS QD . . 4.150 3.955 3.495 4.149 . 0 0 "[ . 1 . 2]" 1
1337 1 68 LYS HA 1 68 LYS QD . . 3.250 2.147 1.966 2.427 . 0 0 "[ . 1 . 2]" 1
1338 1 68 LYS HB3 1 68 LYS QD . . 3.660 2.289 2.157 2.396 . 0 0 "[ . 1 . 2]" 1
1339 1 68 LYS QE 1 68 LYS QG . . 3.230 2.177 2.119 2.302 . 0 0 "[ . 1 . 2]" 1
1340 1 68 LYS QG 1 69 ASP H . . 5.110 4.288 4.033 4.541 . 0 0 "[ . 1 . 2]" 1
1341 1 68 LYS QD 1 69 ASP H . . 4.060 3.333 2.997 3.648 . 0 0 "[ . 1 . 2]" 1
1342 1 69 ASP H 1 69 ASP QB . . 3.280 2.425 2.249 2.881 . 0 0 "[ . 1 . 2]" 1
1343 1 69 ASP QB 1 70 LEU H . . 3.970 3.807 3.630 3.914 . 0 0 "[ . 1 . 2]" 1
1344 1 70 LEU H 1 70 LEU QD . . 3.310 3.029 2.648 3.183 . 0 0 "[ . 1 . 2]" 1
1345 1 70 LEU HA 1 70 LEU QD . . 2.990 2.025 1.963 2.162 . 0 0 "[ . 1 . 2]" 1
1346 1 70 LEU HB3 1 70 LEU QD . . 3.060 2.114 2.040 2.162 . 0 0 "[ . 1 . 2]" 1
1347 1 70 LEU QD 1 71 ILE H . . 3.820 3.364 2.960 3.656 . 0 0 "[ . 1 . 2]" 1
1348 1 71 ILE H 1 71 ILE QG . . 3.680 2.711 2.481 3.422 . 0 0 "[ . 1 . 2]" 1
1349 1 71 ILE QG 1 71 ILE MG . . 2.970 2.253 2.068 2.346 . 0 0 "[ . 1 . 2]" 1
1350 1 71 ILE MG 1 73 GLN QG . . 3.840 2.549 2.134 3.176 . 0 0 "[ . 1 . 2]" 1
1351 1 71 ILE MG 1 73 GLN QE . . 4.050 2.861 2.015 3.697 . 0 0 "[ . 1 . 2]" 1
1352 1 73 GLN H 1 73 GLN QG . . 3.880 2.969 1.975 3.526 . 0 0 "[ . 1 . 2]" 1
1353 1 73 GLN QG 1 74 LEU H . . 4.330 3.756 3.276 4.298 . 0 0 "[ . 1 . 2]" 1
1354 1 74 LEU H 1 74 LEU QB . . 2.900 2.244 2.149 2.330 . 0 0 "[ . 1 . 2]" 1
1355 1 74 LEU H 1 74 LEU QD . . 3.780 3.400 2.041 3.781 0.001 19 0 "[ . 1 . 2]" 1
1356 1 74 LEU HA 1 74 LEU QD . . 3.110 2.201 1.916 2.593 . 0 0 "[ . 1 . 2]" 1
1357 1 74 LEU QB 1 74 LEU QD . . 2.790 1.886 1.751 2.049 . 0 0 "[ . 1 . 2]" 1
1358 1 74 LEU QB 1 75 GLN H . . 3.840 2.976 2.307 3.745 . 0 0 "[ . 1 . 2]" 1
1359 1 74 LEU QD 1 75 GLN H . . 3.630 2.600 2.047 3.058 . 0 0 "[ . 1 . 2]" 1
1360 1 75 GLN H 1 75 GLN QB . . 3.330 2.343 2.173 3.182 . 0 0 "[ . 1 . 2]" 1
1361 1 75 GLN H 1 75 GLN QG . . 3.900 2.710 1.965 3.264 . 0 0 "[ . 1 . 2]" 1
1362 1 75 GLN H 1 76 PRO QD . . 4.980 4.348 4.309 4.375 . 0 0 "[ . 1 . 2]" 1
1363 1 75 GLN HA 1 76 PRO QG . . 4.770 3.949 3.872 4.058 . 0 0 "[ . 1 . 2]" 1
1364 1 75 GLN QB 1 76 PRO QD . . 4.440 2.300 2.002 2.616 . 0 0 "[ . 1 . 2]" 1
1365 1 76 PRO QG 1 77 THR H . . 5.030 4.072 2.519 4.752 . 0 0 "[ . 1 . 2]" 1
1366 1 80 LEU H 1 80 LEU QB . . 3.320 2.511 2.112 3.245 . 0 0 "[ . 1 . 2]" 1
1367 1 80 LEU HA 1 80 LEU QD . . 4.010 2.574 1.967 3.387 . 0 0 "[ . 1 . 2]" 1
1368 1 81 LEU H 1 81 LEU QB . . 3.670 2.517 2.122 3.248 . 0 0 "[ . 1 . 2]" 1
1369 1 81 LEU HA 1 81 LEU QD . . 4.060 2.528 1.960 3.411 . 0 0 "[ . 1 . 2]" 1
1370 1 84 GLY QA 1 85 PRO QD . . 3.040 1.978 1.908 2.115 . 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 12
_Distance_constraint_stats_list.Viol_count 185
_Distance_constraint_stats_list.Viol_total 2671.194
_Distance_constraint_stats_list.Viol_max 4.402
_Distance_constraint_stats_list.Viol_rms 1.0863
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5565
_Distance_constraint_stats_list.Viol_average_violations_only 0.7219
_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 8 ILE 0.515 0.334 5 0 "[ . 1 . 2]"
1 10 VAL 5.588 1.005 6 6 "[ - .+ 1* ** * 2]"
1 11 LYS 0.272 0.115 5 0 "[ . 1 . 2]"
1 19 CYS 2.715 0.640 12 2 "[ . 1 + . - 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 HIS 7.394 1.306 13 5 "[ . **1 +*. -]"
1 26 LEU 25.633 1.432 10 20 [*-*******+**********]
1 31 LEU 28.464 1.432 10 20 [*********+*********-]
1 34 CYS 3.049 0.284 16 0 "[ . 1 . 2]"
1 36 VAL 7.286 0.640 12 2 "[ . 1 + . - 2]"
1 43 ALA 9.134 0.557 6 2 "[ - .+ 1 . 2]"
1 44 PHE 3.942 0.323 19 0 "[ . 1 . 2]"
1 45 VAL 6.990 0.323 19 0 "[ . 1 . 2]"
1 57 ILE 79.880 4.402 6 20 [-****+**************]
1 60 PHE 5.588 1.005 6 6 "[ - .+ 1* ** * 2]"
1 71 ILE 79.880 4.402 6 20 [-****+**************]
1 72 VAL 0.272 0.115 5 0 "[ . 1 . 2]"
1 75 GLN 0.515 0.334 5 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 8 ILE H 1 75 GLN HE21 . . 5.000 4.453 3.413 5.334 0.334 5 0 "[ . 1 . 2]" 2
2 1 34 CYS H 1 45 VAL HA . . 5.000 5.152 5.015 5.284 0.284 16 0 "[ . 1 . 2]" 2
3 1 11 LYS H 1 72 VAL H . . 5.000 5.012 4.984 5.115 0.115 5 0 "[ . 1 . 2]" 2
4 1 57 ILE H 1 71 ILE MG . . 5.000 8.994 8.830 9.402 4.402 6 20 [-****+**************] 2
5 1 8 ILE MD 1 22 VAL MG1 . . 5.000 4.299 4.002 4.686 . 0 0 "[ . 1 . 2]" 2
6 1 10 VAL QG 1 60 PHE QD . . 5.000 5.214 4.784 6.005 1.005 6 6 "[ - .+ 1* ** * 2]" 2
7 1 19 CYS HA 1 36 VAL HB . . 5.000 5.136 4.998 5.640 0.640 12 2 "[ . 1 + . - 2]" 2
8 1 23 HIS HD2 1 31 LEU HG . . 5.000 5.370 5.039 6.306 1.306 13 5 "[ . **1 +*. -]" 2
9 1 26 LEU QD 1 43 ALA MB . . 5.000 5.228 5.007 5.557 0.557 6 2 "[ - .+ 1 . 2]" 2
10 1 26 LEU HG 1 31 LEU HG . . 5.000 6.053 5.545 6.432 1.432 10 20 [*********+-*********] 2
11 1 36 VAL HB 1 43 ALA HA . . 5.000 5.228 4.995 5.414 0.414 11 0 "[ . 1 . 2]" 2
12 1 44 PHE HB3 1 45 VAL MG2 . . 5.000 5.197 5.084 5.323 0.323 19 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 3
_Distance_constraint_stats_list.Viol_count 59
_Distance_constraint_stats_list.Viol_total 153.478
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0774
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1279
_Distance_constraint_stats_list.Viol_average_violations_only 0.1301
_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 19 CYS 7.674 0.204 18 0 "[ . 1 . 2]"
1 34 CYS 7.674 0.204 18 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 19 CYS SG 1 34 CYS SG . . 1.900 1.932 1.899 2.071 0.171 6 0 "[ . 1 . 2]" 3
2 1 19 CYS SG 1 34 CYS CB . . 2.900 3.068 3.009 3.104 0.204 18 0 "[ . 1 . 2]" 3
3 1 19 CYS CB 1 34 CYS SG . . 2.900 3.083 3.001 3.102 0.202 18 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 960
_Distance_constraint_stats_list.Viol_total 7992.565
_Distance_constraint_stats_list.Viol_max 0.838
_Distance_constraint_stats_list.Viol_rms 0.1631
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4163
_Distance_constraint_stats_list.Viol_average_violations_only 0.4163
_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 8 ILE 80.542 0.838 18 20 [***-*************+**]
1 9 LEU 59.467 0.708 2 20 [*+************-*****]
1 10 VAL 61.977 0.576 12 11 "[ * -*** + ***** 2]"
1 11 LYS 57.822 0.680 6 19 "[*****+**-**** ******]"
1 33 TYR 45.592 0.770 9 20 [********+***-*******]
1 35 TYR 71.979 0.666 17 19 "[******-*********+* *]"
1 37 ASP 22.249 0.528 11 3 "[ . 1+ -* 2]"
1 42 THR 22.249 0.528 11 3 "[ . 1+ -* 2]"
1 43 ALA 61.977 0.576 12 11 "[ * -*** + ***** 2]"
1 44 PHE 71.979 0.666 17 19 "[******-*********+* *]"
1 45 VAL 80.542 0.838 18 20 [***-*************+**]
1 46 THR 45.592 0.770 9 20 [********+***-*******]
1 71 ILE 57.822 0.680 6 19 "[*****+**-**** ******]"
1 73 GLN 59.467 0.708 2 20 [*+************-*****]
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 9 LEU O 1 73 GLN H . . 1.700 2.198 2.152 2.209 0.509 18 9 "[ * . ** 1* * -* +*2]" 4
2 1 9 LEU C 1 73 GLN H . . 2.600 3.204 3.133 3.308 0.708 2 20 [*+**************-***] 4
3 1 9 LEU O 1 73 GLN N . . 2.600 3.122 3.067 3.160 0.560 2 18 "[*+*********** *- ***]" 4
4 1 9 LEU C 1 73 GLN N . . 3.600 4.171 4.101 4.285 0.685 2 20 [*+**************-***] 4
5 1 11 LYS O 1 71 ILE H . . 1.700 1.938 1.820 2.194 0.494 1 0 "[ . 1 . 2]" 4
6 1 11 LYS C 1 71 ILE H . . 2.600 3.035 2.902 3.198 0.598 1 3 "[+ - 1 . * 2]" 4
7 1 11 LYS O 1 71 ILE N . . 2.600 2.865 2.733 3.078 0.478 1 0 "[ . 1 . 2]" 4
8 1 11 LYS C 1 71 ILE N . . 3.600 3.938 3.823 4.064 0.464 1 0 "[ . 1 . 2]" 4
9 1 9 LEU H 1 73 GLN O . . 1.700 1.833 1.798 2.077 0.377 16 0 "[ . 1 . 2]" 4
10 1 9 LEU H 1 73 GLN C . . 2.600 2.846 2.700 2.998 0.398 2 0 "[ . 1 . 2]" 4
11 1 9 LEU N 1 73 GLN O . . 2.600 2.780 2.711 2.966 0.366 16 0 "[ . 1 . 2]" 4
12 1 9 LEU N 1 73 GLN C . . 3.600 3.818 3.665 3.972 0.372 2 0 "[ . 1 . 2]" 4
13 1 11 LYS H 1 71 ILE O . . 1.700 2.002 1.894 2.202 0.502 6 1 "[ .+ 1 . 2]" 4
14 1 11 LYS H 1 71 ILE C . . 2.600 3.148 3.067 3.280 0.680 6 19 "[*****+******* ****-*]" 4
15 1 11 LYS N 1 71 ILE O . . 2.600 2.934 2.791 3.139 0.539 6 1 "[ .+ 1 . 2]" 4
16 1 11 LYS N 1 71 ILE C . . 3.600 4.031 3.924 4.154 0.554 6 2 "[ .+ -1 . 2]" 4
17 1 8 ILE H 1 45 VAL O . . 1.700 1.927 1.815 2.142 0.442 6 0 "[ . 1 . 2]" 4
18 1 8 ILE H 1 45 VAL C . . 2.600 3.101 3.000 3.245 0.645 3 9 "[**+ ** 1 *-. * *]" 4
19 1 8 ILE N 1 45 VAL O . . 2.600 2.872 2.788 3.085 0.485 3 0 "[ . 1 . 2]" 4
20 1 8 ILE N 1 45 VAL C . . 3.600 4.064 3.966 4.217 0.617 3 5 "[*-+ . 1 . * *]" 4
21 1 8 ILE O 1 45 VAL H . . 1.700 2.190 2.144 2.213 0.513 18 6 "[ -* * * . +*2]" 4
22 1 8 ILE C 1 45 VAL H . . 2.600 3.397 3.342 3.438 0.838 18 20 [***************-*+**] 4
23 1 8 ILE O 1 45 VAL N . . 2.600 3.137 3.045 3.176 0.576 18 19 "[***-*********** *+**]" 4
24 1 8 ILE C 1 45 VAL N . . 3.600 4.341 4.254 4.392 0.792 18 20 [***************-*+**] 4
25 1 10 VAL H 1 43 ALA O . . 1.700 2.055 1.836 2.192 0.492 9 0 "[ . 1 . 2]" 4
26 1 10 VAL H 1 43 ALA C . . 2.600 3.087 2.956 3.176 0.576 12 11 "[ * **** + -**** 2]" 4
27 1 10 VAL N 1 43 ALA O . . 2.600 2.900 2.706 2.999 0.399 9 0 "[ . 1 . 2]" 4
28 1 10 VAL N 1 43 ALA C . . 3.600 3.987 3.853 4.080 0.480 12 0 "[ . 1 . 2]" 4
29 1 10 VAL O 1 43 ALA H . . 1.700 2.099 1.974 2.196 0.496 10 0 "[ . 1 . 2]" 4
30 1 10 VAL C 1 43 ALA H . . 2.600 2.993 2.780 3.120 0.520 17 2 "[ . - 1 . + 2]" 4
31 1 10 VAL O 1 43 ALA N . . 2.600 3.023 2.889 3.112 0.512 10 2 "[ . - + . 2]" 4
32 1 10 VAL C 1 43 ALA N . . 3.600 3.956 3.742 4.067 0.467 7 0 "[ . 1 . 2]" 4
33 1 37 ASP H 1 42 THR O . . 1.700 1.989 1.799 2.201 0.501 15 2 "[ . 1 -+ 2]" 4
34 1 37 ASP H 1 42 THR C . . 2.600 2.937 2.779 3.128 0.528 11 2 "[ . 1+ -. 2]" 4
35 1 37 ASP N 1 42 THR O . . 2.600 2.820 2.612 3.081 0.481 14 0 "[ . 1 . 2]" 4
36 1 37 ASP N 1 42 THR C . . 3.600 3.867 3.695 4.084 0.484 14 0 "[ . 1 . 2]" 4
37 1 35 TYR O 1 44 PHE H . . 1.700 2.035 1.867 2.168 0.468 13 0 "[ . 1 . 2]" 4
38 1 35 TYR C 1 44 PHE H . . 2.600 3.061 2.910 3.214 0.614 4 7 "[* +. **1* - . * 2]" 4
39 1 35 TYR O 1 44 PHE N . . 2.600 2.955 2.816 3.086 0.486 13 0 "[ . 1 . 2]" 4
40 1 35 TYR C 1 44 PHE N . . 3.600 3.940 3.839 4.027 0.427 4 0 "[ . 1 . 2]" 4
41 1 35 TYR H 1 44 PHE O . . 1.700 2.193 2.137 2.214 0.514 18 8 "[ .*- * **.* + *]" 4
42 1 35 TYR H 1 44 PHE C . . 2.600 3.175 3.097 3.266 0.666 17 19 "[**-*************+* *]" 4
43 1 35 TYR N 1 44 PHE O . . 2.600 3.101 3.031 3.150 0.550 7 11 "[ ***+*-* * .*** 2]" 4
44 1 35 TYR N 1 44 PHE C . . 3.600 4.138 4.058 4.245 0.645 17 15 "[* ******-****. +* *]" 4
45 1 33 TYR O 1 46 THR H . . 1.700 2.169 1.993 2.203 0.503 13 1 "[ . 1 + . 2]" 4
46 1 33 TYR C 1 46 THR H . . 2.600 3.307 3.182 3.370 0.770 9 20 [***-****+***********] 4
47 1 33 TYR O 1 46 THR N . . 2.600 3.074 2.963 3.118 0.518 2 7 "[*+ *. * 1-* . * 2]" 4
48 1 33 TYR C 1 46 THR N . . 3.600 4.230 4.151 4.291 0.691 2 20 [*+*-****************] 4
stop_
save_
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