NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
461238 |
2dl8   |
11225 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dl8
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 1611
_Distance_constraint_stats_list.Viol_count 549
_Distance_constraint_stats_list.Viol_total 95.329
_Distance_constraint_stats_list.Viol_max 0.113
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0087
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 3 0 "[ . 1 . 2]"
1 8 GLU 0.017 0.015 4 0 "[ . 1 . 2]"
1 9 PRO 0.452 0.027 4 0 "[ . 1 . 2]"
1 10 ILE 0.126 0.015 17 0 "[ . 1 . 2]"
1 11 GLU 0.057 0.008 17 0 "[ . 1 . 2]"
1 12 ALA 0.067 0.006 14 0 "[ . 1 . 2]"
1 13 ILE 0.049 0.008 6 0 "[ . 1 . 2]"
1 14 ALA 1.429 0.113 19 0 "[ . 1 . 2]"
1 15 LYS 1.457 0.113 19 0 "[ . 1 . 2]"
1 16 PHE 0.061 0.014 17 0 "[ . 1 . 2]"
1 17 ASP 0.081 0.050 17 0 "[ . 1 . 2]"
1 18 TYR 0.076 0.050 17 0 "[ . 1 . 2]"
1 19 VAL 0.018 0.010 17 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.432 0.083 16 0 "[ . 1 . 2]"
1 22 THR 0.005 0.003 15 0 "[ . 1 . 2]"
1 23 ALA 0.005 0.003 17 0 "[ . 1 . 2]"
1 24 ARG 0.009 0.006 17 0 "[ . 1 . 2]"
1 25 GLU 0.085 0.031 17 0 "[ . 1 . 2]"
1 26 LEU 0.074 0.009 12 0 "[ . 1 . 2]"
1 27 SER 0.065 0.039 12 0 "[ . 1 . 2]"
1 28 PHE 0.170 0.039 12 0 "[ . 1 . 2]"
1 29 LYS 0.214 0.061 17 0 "[ . 1 . 2]"
1 30 LYS 0.022 0.009 6 0 "[ . 1 . 2]"
1 31 GLY 0.015 0.005 11 0 "[ . 1 . 2]"
1 32 ALA 0.022 0.003 17 0 "[ . 1 . 2]"
1 33 SER 0.016 0.006 11 0 "[ . 1 . 2]"
1 34 LEU 0.069 0.008 6 0 "[ . 1 . 2]"
1 35 LEU 0.741 0.027 14 0 "[ . 1 . 2]"
1 36 LEU 0.136 0.018 14 0 "[ . 1 . 2]"
1 37 TYR 0.434 0.060 14 0 "[ . 1 . 2]"
1 38 GLN 0.227 0.060 14 0 "[ . 1 . 2]"
1 39 ARG 0.015 0.006 14 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASP 0.071 0.026 19 0 "[ . 1 . 2]"
1 44 TRP 0.104 0.026 19 0 "[ . 1 . 2]"
1 45 TRP 0.084 0.007 14 0 "[ . 1 . 2]"
1 46 GLU 0.057 0.009 9 0 "[ . 1 . 2]"
1 47 GLY 0.056 0.012 14 0 "[ . 1 . 2]"
1 48 ARG 0.072 0.009 19 0 "[ . 1 . 2]"
1 49 HIS 0.023 0.005 7 0 "[ . 1 . 2]"
1 50 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.002 0.002 19 0 "[ . 1 . 2]"
1 53 ASP 0.002 0.002 19 0 "[ . 1 . 2]"
1 54 GLY 0.032 0.005 3 0 "[ . 1 . 2]"
1 55 LEU 0.075 0.031 17 0 "[ . 1 . 2]"
1 56 ILE 0.092 0.014 10 0 "[ . 1 . 2]"
1 57 PRO 0.035 0.008 12 0 "[ . 1 . 2]"
1 58 HIS 0.122 0.036 12 0 "[ . 1 . 2]"
1 59 GLN 0.139 0.036 12 0 "[ . 1 . 2]"
1 60 TYR 0.154 0.011 20 0 "[ . 1 . 2]"
1 61 ILE 0.307 0.023 17 0 "[ . 1 . 2]"
1 62 VAL 0.122 0.014 1 0 "[ . 1 . 2]"
1 63 VAL 0.011 0.004 4 0 "[ . 1 . 2]"
1 64 GLN 0.001 0.001 16 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.067 0.067 14 0 "[ . 1 . 2]"
1 69 PRO 0.067 0.067 14 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 49 HIS H 1 53 ASP HA . . 4.230 3.690 3.329 3.808 . 0 0 "[ . 1 . 2]" 1
2 1 48 ARG HA 1 49 HIS H . . 2.850 2.250 2.168 2.410 . 0 0 "[ . 1 . 2]" 1
3 1 49 HIS H 1 49 HIS HB3 . . 3.600 2.706 2.481 2.928 . 0 0 "[ . 1 . 2]" 1
4 1 49 HIS H 1 49 HIS HB2 . . 3.960 3.357 3.261 3.524 . 0 0 "[ . 1 . 2]" 1
5 1 49 HIS H 1 52 ILE HB . . 4.020 3.200 2.908 3.507 . 0 0 "[ . 1 . 2]" 1
6 1 48 ARG HG2 1 49 HIS H . . 3.800 2.428 2.018 3.156 . 0 0 "[ . 1 . 2]" 1
7 1 48 ARG HG3 1 49 HIS H . . 3.800 2.820 2.214 3.304 . 0 0 "[ . 1 . 2]" 1
8 1 11 GLU HG2 1 12 ALA H . . 4.490 4.361 4.064 4.488 . 0 0 "[ . 1 . 2]" 1
9 1 11 GLU HB3 1 12 ALA H . . 3.800 3.670 3.458 3.801 0.001 3 0 "[ . 1 . 2]" 1
10 1 11 GLU HB2 1 12 ALA H . . 4.720 4.503 4.408 4.552 . 0 0 "[ . 1 . 2]" 1
11 1 12 ALA H 1 34 LEU HB2 . . 4.600 3.878 3.600 4.064 . 0 0 "[ . 1 . 2]" 1
12 1 12 ALA H 1 36 LEU HG . . 4.750 3.273 3.094 3.468 . 0 0 "[ . 1 . 2]" 1
13 1 26 LEU H 1 55 LEU HB2 . . 4.530 4.261 4.064 4.477 . 0 0 "[ . 1 . 2]" 1
14 1 26 LEU H 1 26 LEU MD1 . . 4.390 3.907 3.685 4.072 . 0 0 "[ . 1 . 2]" 1
15 1 26 LEU H 1 26 LEU MD2 . . 4.710 3.754 3.444 3.891 . 0 0 "[ . 1 . 2]" 1
16 1 26 LEU H 1 26 LEU HB2 . . 3.470 2.666 2.551 2.805 . 0 0 "[ . 1 . 2]" 1
17 1 26 LEU H 1 26 LEU HG . . 3.290 2.792 2.393 3.021 . 0 0 "[ . 1 . 2]" 1
18 1 30 LYS HA 1 32 ALA H . . 3.790 3.646 3.456 3.763 . 0 0 "[ . 1 . 2]" 1
19 1 29 LYS HB2 1 32 ALA H . . 4.280 4.038 3.685 4.224 . 0 0 "[ . 1 . 2]" 1
20 1 30 LYS QB 1 32 ALA H . . 5.010 4.698 4.550 4.827 . 0 0 "[ . 1 . 2]" 1
21 1 32 ALA H 1 32 ALA MB . . 2.480 2.170 2.049 2.241 . 0 0 "[ . 1 . 2]" 1
22 1 13 ILE MG 1 32 ALA H . . 4.620 4.340 3.988 4.610 . 0 0 "[ . 1 . 2]" 1
23 1 20 GLY H 1 21 ARG H . . 4.540 4.342 4.286 4.435 . 0 0 "[ . 1 . 2]" 1
24 1 18 TYR QE 1 21 ARG H . . 4.730 3.384 2.771 3.999 . 0 0 "[ . 1 . 2]" 1
25 1 21 ARG H 1 25 GLU HG2 . . 5.020 4.588 3.437 5.022 0.002 19 0 "[ . 1 . 2]" 1
26 1 21 ARG H 1 21 ARG QB . . 2.970 2.325 2.153 2.581 . 0 0 "[ . 1 . 2]" 1
27 1 21 ARG H 1 21 ARG HG2 . . 4.050 3.261 2.807 3.866 . 0 0 "[ . 1 . 2]" 1
28 1 21 ARG H 1 22 THR MG . . 4.800 4.583 4.365 4.754 . 0 0 "[ . 1 . 2]" 1
29 1 64 GLN HB3 1 65 ASP H . . 4.600 3.746 3.202 4.126 . 0 0 "[ . 1 . 2]" 1
30 1 65 ASP H 1 65 ASP HB2 . . 4.150 3.083 2.376 3.767 . 0 0 "[ . 1 . 2]" 1
31 1 35 LEU H 1 48 ARG H . . 3.600 3.460 3.176 3.577 . 0 0 "[ . 1 . 2]" 1
32 1 37 TYR QD 1 48 ARG H . . 4.690 4.390 4.289 4.500 . 0 0 "[ . 1 . 2]" 1
33 1 35 LEU HA 1 48 ARG H . . 5.440 4.898 4.778 4.969 . 0 0 "[ . 1 . 2]" 1
34 1 48 ARG H 1 49 HIS HA . . 5.500 4.843 4.687 4.934 . 0 0 "[ . 1 . 2]" 1
35 1 36 LEU HA 1 48 ARG H . . 4.220 3.968 3.702 4.182 . 0 0 "[ . 1 . 2]" 1
36 1 47 GLY HA3 1 48 ARG H . . 2.880 2.277 2.229 2.340 . 0 0 "[ . 1 . 2]" 1
37 1 47 GLY HA2 1 48 ARG H . . 3.180 2.903 2.813 2.977 . 0 0 "[ . 1 . 2]" 1
38 1 48 ARG H 1 48 ARG HB2 . . 3.650 3.303 3.245 3.386 . 0 0 "[ . 1 . 2]" 1
39 1 48 ARG H 1 48 ARG HB3 . . 3.230 2.717 2.622 2.810 . 0 0 "[ . 1 . 2]" 1
40 1 35 LEU HB3 1 48 ARG H . . 3.920 2.910 2.756 3.095 . 0 0 "[ . 1 . 2]" 1
41 1 34 LEU HB3 1 48 ARG H . . 5.120 4.959 4.515 5.121 0.001 11 0 "[ . 1 . 2]" 1
42 1 26 LEU MD1 1 48 ARG H . . 4.260 4.127 3.823 4.261 0.001 13 0 "[ . 1 . 2]" 1
43 1 48 ARG H 1 56 ILE MD . . 3.490 3.369 3.183 3.483 . 0 0 "[ . 1 . 2]" 1
44 1 36 LEU MD2 1 48 ARG H . . 4.390 4.174 3.941 4.350 . 0 0 "[ . 1 . 2]" 1
45 1 35 LEU H 1 35 LEU HB2 . . 3.390 2.475 2.435 2.643 . 0 0 "[ . 1 . 2]" 1
46 1 35 LEU H 1 35 LEU HB3 . . 3.740 2.842 2.760 2.892 . 0 0 "[ . 1 . 2]" 1
47 1 34 LEU HB3 1 35 LEU H . . 3.720 3.028 2.658 3.179 . 0 0 "[ . 1 . 2]" 1
48 1 44 TRP HE3 1 45 TRP H . . 4.070 2.871 2.799 2.944 . 0 0 "[ . 1 . 2]" 1
49 1 45 TRP H 1 45 TRP HD1 . . 3.860 3.643 3.549 3.722 . 0 0 "[ . 1 . 2]" 1
50 1 45 TRP H 1 45 TRP HB3 . . 3.820 3.756 3.713 3.797 . 0 0 "[ . 1 . 2]" 1
51 1 44 TRP HB3 1 45 TRP H . . 3.690 2.443 2.322 2.631 . 0 0 "[ . 1 . 2]" 1
52 1 45 TRP H 1 45 TRP HB2 . . 3.250 2.690 2.629 2.741 . 0 0 "[ . 1 . 2]" 1
53 1 45 TRP H 1 56 ILE HB . . 4.110 3.639 3.399 3.789 . 0 0 "[ . 1 . 2]" 1
54 1 45 TRP H 1 56 ILE MG . . 4.770 4.466 4.197 4.650 . 0 0 "[ . 1 . 2]" 1
55 1 8 GLU H 1 8 GLU HG2 . . 4.350 2.970 2.229 4.347 . 0 0 "[ . 1 . 2]" 1
56 1 8 GLU H 1 8 GLU HB2 . . 3.860 3.074 2.276 3.875 0.015 4 0 "[ . 1 . 2]" 1
57 1 8 GLU H 1 8 GLU HB3 . . 3.860 3.105 2.292 3.800 . 0 0 "[ . 1 . 2]" 1
58 1 49 HIS H 1 52 ILE H . . 3.680 2.367 2.130 2.914 . 0 0 "[ . 1 . 2]" 1
59 1 52 ILE H 1 52 ILE HB . . 3.060 2.771 2.527 2.862 . 0 0 "[ . 1 . 2]" 1
60 1 52 ILE H 1 52 ILE HG12 . . 4.170 3.765 2.662 4.160 . 0 0 "[ . 1 . 2]" 1
61 1 48 ARG HG2 1 52 ILE H . . 4.270 2.653 2.221 3.708 . 0 0 "[ . 1 . 2]" 1
62 1 48 ARG HG3 1 52 ILE H . . 4.270 2.683 2.208 3.616 . 0 0 "[ . 1 . 2]" 1
63 1 52 ILE H 1 52 ILE HG13 . . 4.170 3.289 2.802 4.160 . 0 0 "[ . 1 . 2]" 1
64 1 26 LEU MD2 1 52 ILE H . . 5.000 4.443 4.224 4.756 . 0 0 "[ . 1 . 2]" 1
65 1 10 ILE H 1 36 LEU H . . 3.350 2.856 2.659 3.065 . 0 0 "[ . 1 . 2]" 1
66 1 35 LEU H 1 36 LEU H . . 4.740 4.506 4.420 4.547 . 0 0 "[ . 1 . 2]" 1
67 1 9 PRO HB3 1 36 LEU H . . 4.890 4.408 4.205 4.862 . 0 0 "[ . 1 . 2]" 1
68 1 9 PRO HB2 1 36 LEU H . . 4.270 3.356 3.056 3.797 . 0 0 "[ . 1 . 2]" 1
69 1 10 ILE HB 1 36 LEU H . . 4.040 3.802 3.615 3.919 . 0 0 "[ . 1 . 2]" 1
70 1 35 LEU HG 1 36 LEU H . . 3.480 2.652 2.362 3.073 . 0 0 "[ . 1 . 2]" 1
71 1 35 LEU HB3 1 36 LEU H . . 3.940 3.746 3.609 3.958 0.018 14 0 "[ . 1 . 2]" 1
72 1 36 LEU H 1 36 LEU HG . . 2.970 2.783 2.481 2.918 . 0 0 "[ . 1 . 2]" 1
73 1 10 ILE MG 1 36 LEU H . . 5.060 4.575 4.411 4.683 . 0 0 "[ . 1 . 2]" 1
74 1 35 LEU MD1 1 36 LEU H . . 4.120 3.305 2.931 3.598 . 0 0 "[ . 1 . 2]" 1
75 1 36 LEU H 1 36 LEU MD1 . . 4.150 4.068 3.812 4.156 0.006 6 0 "[ . 1 . 2]" 1
76 1 55 LEU H 1 56 ILE H . . 4.860 4.523 4.439 4.569 . 0 0 "[ . 1 . 2]" 1
77 1 44 TRP HE3 1 56 ILE H . . 4.020 3.078 2.876 3.212 . 0 0 "[ . 1 . 2]" 1
78 1 46 GLU HA 1 56 ILE H . . 4.260 4.068 3.894 4.266 0.006 19 0 "[ . 1 . 2]" 1
79 1 45 TRP HB2 1 56 ILE H . . 4.170 3.104 2.962 3.302 . 0 0 "[ . 1 . 2]" 1
80 1 56 ILE H 1 56 ILE HG13 . . 3.780 3.102 2.938 3.382 . 0 0 "[ . 1 . 2]" 1
81 1 56 ILE H 1 56 ILE HB . . 3.200 2.719 2.618 2.823 . 0 0 "[ . 1 . 2]" 1
82 1 55 LEU HB2 1 56 ILE H . . 4.480 3.978 3.855 4.156 . 0 0 "[ . 1 . 2]" 1
83 1 56 ILE H 1 56 ILE HG12 . . 4.520 4.345 4.237 4.503 . 0 0 "[ . 1 . 2]" 1
84 1 61 ILE H 1 62 VAL H . . 4.520 4.345 4.328 4.384 . 0 0 "[ . 1 . 2]" 1
85 1 13 ILE HA 1 62 VAL H . . 4.960 4.597 4.393 4.742 . 0 0 "[ . 1 . 2]" 1
86 1 61 ILE HA 1 62 VAL H . . 2.700 2.311 2.297 2.355 . 0 0 "[ . 1 . 2]" 1
87 1 14 ALA HA 1 62 VAL H . . 4.110 4.060 3.837 4.124 0.014 1 0 "[ . 1 . 2]" 1
88 1 62 VAL H 1 62 VAL HB . . 3.100 2.645 2.589 2.690 . 0 0 "[ . 1 . 2]" 1
89 1 13 ILE HB 1 62 VAL H . . 4.360 3.776 3.635 3.916 . 0 0 "[ . 1 . 2]" 1
90 1 61 ILE HB 1 62 VAL H . . 2.940 2.621 2.510 2.659 . 0 0 "[ . 1 . 2]" 1
91 1 15 LYS HB2 1 62 VAL H . . 4.990 4.563 3.617 4.993 0.003 19 0 "[ . 1 . 2]" 1
92 1 12 ALA MB 1 62 VAL H . . 3.650 3.176 2.704 3.491 . 0 0 "[ . 1 . 2]" 1
93 1 62 VAL H 1 62 VAL MG2 . . 3.170 2.802 2.602 2.917 . 0 0 "[ . 1 . 2]" 1
94 1 61 ILE MD 1 62 VAL H . . 4.390 3.001 2.857 3.200 . 0 0 "[ . 1 . 2]" 1
95 1 10 ILE H 1 37 TYR HA . . 4.030 3.870 3.712 4.000 . 0 0 "[ . 1 . 2]" 1
96 1 9 PRO HB2 1 10 ILE H . . 3.650 2.862 2.218 3.184 . 0 0 "[ . 1 . 2]" 1
97 1 10 ILE H 1 10 ILE HB . . 3.200 2.628 2.540 2.804 . 0 0 "[ . 1 . 2]" 1
98 1 10 ILE H 1 10 ILE HG12 . . 3.870 3.866 3.835 3.885 0.015 17 0 "[ . 1 . 2]" 1
99 1 10 ILE H 1 36 LEU HB2 . . 3.870 2.664 2.536 2.832 . 0 0 "[ . 1 . 2]" 1
100 1 10 ILE H 1 10 ILE HG13 . . 3.870 2.543 2.450 2.622 . 0 0 "[ . 1 . 2]" 1
101 1 10 ILE H 1 36 LEU HB3 . . 4.440 4.048 3.889 4.273 . 0 0 "[ . 1 . 2]" 1
102 1 10 ILE H 1 10 ILE MG . . 4.070 3.844 3.806 3.917 . 0 0 "[ . 1 . 2]" 1
103 1 36 LEU H 1 37 TYR H . . 4.730 4.450 4.410 4.533 . 0 0 "[ . 1 . 2]" 1
104 1 37 TYR H 1 48 ARG H . . 5.220 4.927 4.691 5.123 . 0 0 "[ . 1 . 2]" 1
105 1 37 TYR H 1 45 TRP HE3 . . 4.610 3.878 3.703 4.194 . 0 0 "[ . 1 . 2]" 1
106 1 37 TYR H 1 37 TYR QD . . 3.840 3.500 3.454 3.559 . 0 0 "[ . 1 . 2]" 1
107 1 36 LEU HA 1 37 TYR H . . 2.750 2.190 2.144 2.217 . 0 0 "[ . 1 . 2]" 1
108 1 37 TYR H 1 47 GLY HA2 . . 3.300 2.617 2.434 2.747 . 0 0 "[ . 1 . 2]" 1
109 1 37 TYR H 1 37 TYR HB3 . . 3.700 3.710 3.625 3.727 0.027 18 0 "[ . 1 . 2]" 1
110 1 37 TYR H 1 37 TYR HB2 . . 3.260 2.545 2.403 2.572 . 0 0 "[ . 1 . 2]" 1
111 1 37 TYR H 1 46 GLU HB2 . . 4.700 4.179 4.071 4.266 . 0 0 "[ . 1 . 2]" 1
112 1 36 LEU HB2 1 37 TYR H . . 4.440 3.998 3.891 4.162 . 0 0 "[ . 1 . 2]" 1
113 1 36 LEU HB3 1 37 TYR H . . 3.850 3.056 2.951 3.342 . 0 0 "[ . 1 . 2]" 1
114 1 36 LEU MD2 1 37 TYR H . . 4.150 3.620 3.505 3.778 . 0 0 "[ . 1 . 2]" 1
115 1 17 ASP H 1 30 LYS H . . 3.720 2.988 2.694 3.299 . 0 0 "[ . 1 . 2]" 1
116 1 30 LYS H 1 32 ALA H . . 4.660 4.525 4.335 4.656 . 0 0 "[ . 1 . 2]" 1
117 1 29 LYS HA 1 30 LYS H . . 2.640 2.271 2.173 2.417 . 0 0 "[ . 1 . 2]" 1
118 1 17 ASP HB2 1 30 LYS H . . 4.690 3.606 2.566 4.020 . 0 0 "[ . 1 . 2]" 1
119 1 17 ASP HB3 1 30 LYS H . . 4.690 2.411 1.922 3.638 . 0 0 "[ . 1 . 2]" 1
120 1 29 LYS HB3 1 30 LYS H . . 3.180 2.809 2.404 3.157 . 0 0 "[ . 1 . 2]" 1
121 1 30 LYS H 1 30 LYS QB . . 2.580 2.254 2.205 2.283 . 0 0 "[ . 1 . 2]" 1
122 1 14 ALA MB 1 30 LYS H . . 4.440 3.871 3.486 4.273 . 0 0 "[ . 1 . 2]" 1
123 1 30 LYS H 1 30 LYS QG . . 4.200 3.972 3.915 3.991 . 0 0 "[ . 1 . 2]" 1
124 1 40 ALA H 1 46 GLU H . . 3.940 3.033 2.689 3.914 . 0 0 "[ . 1 . 2]" 1
125 1 38 GLN H 1 46 GLU H . . 3.430 3.129 3.033 3.281 . 0 0 "[ . 1 . 2]" 1
126 1 45 TRP HE3 1 46 GLU H . . 4.070 2.851 2.733 3.011 . 0 0 "[ . 1 . 2]" 1
127 1 45 TRP HA 1 46 GLU H . . 2.780 2.414 2.355 2.458 . 0 0 "[ . 1 . 2]" 1
128 1 39 ARG HA 1 46 GLU H . . 3.850 3.149 3.045 3.252 . 0 0 "[ . 1 . 2]" 1
129 1 45 TRP HB3 1 46 GLU H . . 3.330 2.443 2.333 2.600 . 0 0 "[ . 1 . 2]" 1
130 1 45 TRP HB2 1 46 GLU H . . 4.000 3.811 3.712 3.932 . 0 0 "[ . 1 . 2]" 1
131 1 37 TYR HB2 1 46 GLU H . . 5.300 4.935 4.857 5.001 . 0 0 "[ . 1 . 2]" 1
132 1 46 GLU H 1 46 GLU HG3 . . 3.460 3.160 2.963 3.268 . 0 0 "[ . 1 . 2]" 1
133 1 46 GLU H 1 46 GLU HG2 . . 3.700 3.630 3.480 3.700 0.000 18 0 "[ . 1 . 2]" 1
134 1 46 GLU H 1 46 GLU HB2 . . 3.070 2.659 2.592 2.751 . 0 0 "[ . 1 . 2]" 1
135 1 25 GLU HA 1 55 LEU H . . 3.190 2.338 2.061 2.676 . 0 0 "[ . 1 . 2]" 1
136 1 54 GLY HA3 1 55 LEU H . . 3.030 2.248 2.179 2.305 . 0 0 "[ . 1 . 2]" 1
137 1 24 ARG HB3 1 55 LEU H . . 4.280 3.953 3.452 4.245 . 0 0 "[ . 1 . 2]" 1
138 1 26 LEU HG 1 55 LEU H . . 3.340 2.602 2.268 2.853 . 0 0 "[ . 1 . 2]" 1
139 1 55 LEU H 1 55 LEU HG . . 3.290 3.104 2.816 3.296 0.006 17 0 "[ . 1 . 2]" 1
140 1 55 LEU H 1 55 LEU HB2 . . 3.220 2.403 2.235 2.484 . 0 0 "[ . 1 . 2]" 1
141 1 55 LEU H 1 55 LEU MD2 . . 4.150 3.976 3.795 4.150 . 0 0 "[ . 1 . 2]" 1
142 1 55 LEU H 1 55 LEU MD1 . . 4.150 3.938 3.810 4.062 . 0 0 "[ . 1 . 2]" 1
143 1 18 TYR H 1 19 VAL H . . 4.570 4.493 4.386 4.537 . 0 0 "[ . 1 . 2]" 1
144 1 18 TYR H 1 28 PHE QD . . 4.090 2.856 2.637 3.257 . 0 0 "[ . 1 . 2]" 1
145 1 18 TYR H 1 29 LYS HA . . 3.640 3.246 2.927 3.534 . 0 0 "[ . 1 . 2]" 1
146 1 17 ASP HB2 1 18 TYR H . . 4.410 3.737 3.529 4.251 . 0 0 "[ . 1 . 2]" 1
147 1 18 TYR H 1 18 TYR HB2 . . 3.730 2.937 2.799 3.311 . 0 0 "[ . 1 . 2]" 1
148 1 18 TYR H 1 18 TYR HB3 . . 3.480 2.659 2.495 2.780 . 0 0 "[ . 1 . 2]" 1
149 1 44 TRP H 1 45 TRP H . . 4.740 4.379 4.363 4.402 . 0 0 "[ . 1 . 2]" 1
150 1 43 ASP H 1 44 TRP H . . 3.540 2.387 2.179 2.699 . 0 0 "[ . 1 . 2]" 1
151 1 44 TRP H 1 44 TRP HB3 . . 3.990 3.904 3.865 3.941 . 0 0 "[ . 1 . 2]" 1
152 1 44 TRP H 1 44 TRP HB2 . . 3.150 2.889 2.812 2.961 . 0 0 "[ . 1 . 2]" 1
153 1 44 TRP H 1 58 HIS HB2 . . 4.690 3.897 3.723 4.152 . 0 0 "[ . 1 . 2]" 1
154 1 43 ASP QB 1 44 TRP H . . 3.770 3.744 3.692 3.796 0.026 19 0 "[ . 1 . 2]" 1
155 1 28 PHE QD 1 29 LYS H . . 4.520 3.437 3.212 4.055 . 0 0 "[ . 1 . 2]" 1
156 1 28 PHE HB2 1 29 LYS H . . 3.310 2.293 2.117 2.846 . 0 0 "[ . 1 . 2]" 1
157 1 29 LYS H 1 29 LYS HB2 . . 3.310 2.527 2.185 2.674 . 0 0 "[ . 1 . 2]" 1
158 1 29 LYS H 1 29 LYS HG2 . . 4.510 3.532 2.353 4.532 0.022 17 0 "[ . 1 . 2]" 1
159 1 25 GLU H 1 26 LEU H . . 4.640 4.610 4.577 4.638 . 0 0 "[ . 1 . 2]" 1
160 1 25 GLU H 1 25 GLU HB3 . . 3.690 3.571 3.489 3.594 . 0 0 "[ . 1 . 2]" 1
161 1 25 GLU H 1 25 GLU HG2 . . 3.930 3.242 2.252 3.752 . 0 0 "[ . 1 . 2]" 1
162 1 25 GLU H 1 25 GLU HB2 . . 2.980 2.402 2.182 2.671 . 0 0 "[ . 1 . 2]" 1
163 1 24 ARG HB2 1 25 GLU H . . 4.000 2.566 2.417 2.679 . 0 0 "[ . 1 . 2]" 1
164 1 25 GLU H 1 55 LEU HB2 . . 4.430 4.015 3.662 4.290 . 0 0 "[ . 1 . 2]" 1
165 1 13 ILE H 1 64 GLN HG2 . . 5.000 3.962 3.487 4.647 . 0 0 "[ . 1 . 2]" 1
166 1 13 ILE H 1 62 VAL HB . . 3.770 3.156 2.706 3.561 . 0 0 "[ . 1 . 2]" 1
167 1 13 ILE H 1 13 ILE HB . . 3.180 2.680 2.548 2.835 . 0 0 "[ . 1 . 2]" 1
168 1 13 ILE H 1 61 ILE HB . . 4.120 3.884 3.686 4.079 . 0 0 "[ . 1 . 2]" 1
169 1 13 ILE H 1 13 ILE HG13 . . 4.290 4.213 4.099 4.285 . 0 0 "[ . 1 . 2]" 1
170 1 13 ILE H 1 13 ILE HG12 . . 3.640 2.885 2.756 2.985 . 0 0 "[ . 1 . 2]" 1
171 1 13 ILE H 1 13 ILE MD . . 4.350 3.702 3.514 3.879 . 0 0 "[ . 1 . 2]" 1
172 1 16 PHE QD 1 17 ASP H . . 4.640 4.334 3.943 4.554 . 0 0 "[ . 1 . 2]" 1
173 1 17 ASP H 1 17 ASP HB3 . . 3.680 2.710 2.318 3.535 . 0 0 "[ . 1 . 2]" 1
174 1 17 ASP H 1 30 LYS HD3 . . 5.150 4.378 4.020 5.156 0.006 8 0 "[ . 1 . 2]" 1
175 1 28 PHE H 1 28 PHE QD . . 4.030 3.135 3.030 3.225 . 0 0 "[ . 1 . 2]" 1
176 1 18 TYR HB3 1 28 PHE H . . 3.990 3.261 2.985 3.482 . 0 0 "[ . 1 . 2]" 1
177 1 19 VAL HA 1 28 PHE H . . 4.400 3.219 3.151 3.415 . 0 0 "[ . 1 . 2]" 1
178 1 28 PHE HZ 1 60 TYR H . . 4.760 4.463 4.274 4.616 . 0 0 "[ . 1 . 2]" 1
179 1 58 HIS HA 1 60 TYR H . . 4.600 3.942 3.747 4.117 . 0 0 "[ . 1 . 2]" 1
180 1 60 TYR H 1 60 TYR HB2 . . 3.030 2.559 2.486 2.631 . 0 0 "[ . 1 . 2]" 1
181 1 59 GLN HB3 1 60 TYR H . . 4.370 3.902 3.691 4.173 . 0 0 "[ . 1 . 2]" 1
182 1 59 GLN HB2 1 60 TYR H . . 4.130 3.107 2.897 3.291 . 0 0 "[ . 1 . 2]" 1
183 1 57 PRO HB2 1 60 TYR H . . 3.920 2.531 2.394 2.725 . 0 0 "[ . 1 . 2]" 1
184 1 57 PRO HG2 1 60 TYR H . . 4.060 3.073 2.976 3.252 . 0 0 "[ . 1 . 2]" 1
185 1 57 PRO HB3 1 60 TYR H . . 4.560 4.286 4.156 4.474 . 0 0 "[ . 1 . 2]" 1
186 1 60 TYR H 1 61 ILE HG13 . . 4.740 3.367 3.200 3.506 . 0 0 "[ . 1 . 2]" 1
187 1 60 TYR H 1 61 ILE MG . . 4.060 3.377 3.312 3.550 . 0 0 "[ . 1 . 2]" 1
188 1 30 LYS H 1 31 GLY H . . 4.600 4.548 4.514 4.597 . 0 0 "[ . 1 . 2]" 1
189 1 15 LYS HA 1 31 GLY H . . 4.710 4.493 4.134 4.699 . 0 0 "[ . 1 . 2]" 1
190 1 31 GLY H 1 31 GLY HA2 . . 2.880 2.369 2.331 2.397 . 0 0 "[ . 1 . 2]" 1
191 1 30 LYS HA 1 31 GLY H . . 2.550 2.161 2.147 2.186 . 0 0 "[ . 1 . 2]" 1
192 1 30 LYS QB 1 31 GLY H . . 3.950 3.744 3.671 3.802 . 0 0 "[ . 1 . 2]" 1
193 1 14 ALA MB 1 31 GLY H . . 3.000 2.054 1.877 2.398 . 0 0 "[ . 1 . 2]" 1
194 1 30 LYS QG 1 31 GLY H . . 3.290 2.735 2.522 2.871 . 0 0 "[ . 1 . 2]" 1
195 1 13 ILE MG 1 31 GLY H . . 3.710 3.100 2.879 3.440 . 0 0 "[ . 1 . 2]" 1
196 1 32 ALA MB 1 33 SER H . . 3.420 3.013 2.774 3.188 . 0 0 "[ . 1 . 2]" 1
197 1 37 TYR QD 1 47 GLY H . . 4.460 4.371 4.198 4.463 0.003 20 0 "[ . 1 . 2]" 1
198 1 47 GLY H 1 53 ASP HA . . 4.980 4.916 4.784 4.973 . 0 0 "[ . 1 . 2]" 1
199 1 47 GLY H 1 55 LEU HA . . 4.250 3.852 3.597 4.019 . 0 0 "[ . 1 . 2]" 1
200 1 46 GLU HA 1 47 GLY H . . 2.580 2.200 2.175 2.236 . 0 0 "[ . 1 . 2]" 1
201 1 46 GLU HB3 1 47 GLY H . . 4.020 3.878 3.798 3.975 . 0 0 "[ . 1 . 2]" 1
202 1 46 GLU HG2 1 47 GLY H . . 4.670 4.597 4.533 4.677 0.007 14 0 "[ . 1 . 2]" 1
203 1 46 GLU HB2 1 47 GLY H . . 4.590 4.448 4.368 4.476 . 0 0 "[ . 1 . 2]" 1
204 1 47 GLY H 1 56 ILE HG13 . . 4.130 3.669 3.524 3.856 . 0 0 "[ . 1 . 2]" 1
205 1 26 LEU MD1 1 47 GLY H . . 4.190 3.490 3.187 3.685 . 0 0 "[ . 1 . 2]" 1
206 1 47 GLY H 1 56 ILE MD . . 3.660 2.676 2.441 2.892 . 0 0 "[ . 1 . 2]" 1
207 1 24 ARG H 1 25 GLU H . . 3.300 2.861 2.751 2.975 . 0 0 "[ . 1 . 2]" 1
208 1 22 THR HA 1 24 ARG H . . 4.680 4.455 4.160 4.663 . 0 0 "[ . 1 . 2]" 1
209 1 22 THR HB 1 24 ARG H . . 3.600 3.019 2.882 3.156 . 0 0 "[ . 1 . 2]" 1
210 1 24 ARG H 1 25 GLU HB2 . . 5.120 4.944 4.749 5.126 0.006 17 0 "[ . 1 . 2]" 1
211 1 24 ARG H 1 24 ARG HB3 . . 3.840 3.536 3.493 3.581 . 0 0 "[ . 1 . 2]" 1
212 1 24 ARG H 1 24 ARG HB2 . . 3.220 2.270 2.186 2.428 . 0 0 "[ . 1 . 2]" 1
213 1 24 ARG H 1 24 ARG HG2 . . 4.630 3.255 2.526 4.160 . 0 0 "[ . 1 . 2]" 1
214 1 23 ALA MB 1 24 ARG H . . 3.630 2.582 2.419 2.760 . 0 0 "[ . 1 . 2]" 1
215 1 22 THR MG 1 24 ARG H . . 4.760 4.442 4.293 4.569 . 0 0 "[ . 1 . 2]" 1
216 1 15 LYS H 1 61 ILE H . . 4.620 3.677 3.472 3.993 . 0 0 "[ . 1 . 2]" 1
217 1 59 GLN H 1 61 ILE H . . 4.800 4.034 3.841 4.190 . 0 0 "[ . 1 . 2]" 1
218 1 60 TYR HA 1 61 ILE H . . 3.530 2.947 2.895 3.125 . 0 0 "[ . 1 . 2]" 1
219 1 58 HIS HA 1 61 ILE H . . 4.280 3.905 3.568 4.030 . 0 0 "[ . 1 . 2]" 1
220 1 59 GLN HA 1 61 ILE H . . 4.150 3.803 3.751 3.864 . 0 0 "[ . 1 . 2]" 1
221 1 60 TYR HB3 1 61 ILE H . . 4.540 4.447 4.347 4.468 . 0 0 "[ . 1 . 2]" 1
222 1 60 TYR HB2 1 61 ILE H . . 4.120 4.064 3.820 4.131 0.011 20 0 "[ . 1 . 2]" 1
223 1 15 LYS QE 1 61 ILE H . . 5.180 3.843 2.818 5.190 0.010 13 0 "[ . 1 . 2]" 1
224 1 61 ILE H 1 61 ILE HB . . 4.140 3.987 3.930 4.006 . 0 0 "[ . 1 . 2]" 1
225 1 15 LYS QD 1 61 ILE H . . 5.180 4.092 2.881 5.181 0.001 10 0 "[ . 1 . 2]" 1
226 1 57 PRO HG2 1 61 ILE H . . 5.500 4.881 4.691 5.014 . 0 0 "[ . 1 . 2]" 1
227 1 61 ILE H 1 61 ILE HG13 . . 2.930 2.386 2.239 2.442 . 0 0 "[ . 1 . 2]" 1
228 1 61 ILE H 1 61 ILE MG . . 3.380 3.104 3.003 3.155 . 0 0 "[ . 1 . 2]" 1
229 1 61 ILE H 1 61 ILE MD . . 4.020 3.600 3.521 3.675 . 0 0 "[ . 1 . 2]" 1
230 1 37 TYR H 1 38 GLN H . . 2.880 2.169 2.110 2.344 . 0 0 "[ . 1 . 2]" 1
231 1 38 GLN H 1 45 TRP HE3 . . 3.720 3.653 3.537 3.726 0.006 14 0 "[ . 1 . 2]" 1
232 1 37 TYR QD 1 38 GLN H . . 4.540 4.237 4.173 4.346 . 0 0 "[ . 1 . 2]" 1
233 1 38 GLN H 1 45 TRP HZ3 . . 4.710 4.608 4.451 4.712 0.002 2 0 "[ . 1 . 2]" 1
234 1 38 GLN H 1 46 GLU HA . . 4.940 4.688 4.552 4.843 . 0 0 "[ . 1 . 2]" 1
235 1 36 LEU HA 1 38 GLN H . . 4.190 4.155 4.076 4.202 0.012 5 0 "[ . 1 . 2]" 1
236 1 38 GLN H 1 47 GLY HA2 . . 4.600 4.113 3.936 4.229 . 0 0 "[ . 1 . 2]" 1
237 1 37 TYR HB2 1 38 GLN H . . 3.010 2.467 2.421 2.514 . 0 0 "[ . 1 . 2]" 1
238 1 38 GLN H 1 46 GLU HB3 . . 4.200 3.955 3.779 4.203 0.003 14 0 "[ . 1 . 2]" 1
239 1 38 GLN H 1 38 GLN HB2 . . 3.900 3.128 2.776 3.918 0.018 11 0 "[ . 1 . 2]" 1
240 1 38 GLN H 1 46 GLU HB2 . . 3.350 2.666 2.559 2.751 . 0 0 "[ . 1 . 2]" 1
241 1 38 GLN H 1 38 GLN HB3 . . 3.900 3.568 2.971 3.833 . 0 0 "[ . 1 . 2]" 1
242 1 36 LEU HB3 1 38 GLN H . . 4.470 4.022 3.898 4.094 . 0 0 "[ . 1 . 2]" 1
243 1 58 HIS H 1 59 GLN H . . 3.390 2.430 2.340 2.479 . 0 0 "[ . 1 . 2]" 1
244 1 59 GLN H 1 60 TYR H . . 3.300 2.198 2.140 2.314 . 0 0 "[ . 1 . 2]" 1
245 1 59 GLN H 1 60 TYR QD . . 3.910 3.044 2.833 3.312 . 0 0 "[ . 1 . 2]" 1
246 1 58 HIS HB3 1 59 GLN H . . 3.550 3.487 3.359 3.553 0.003 5 0 "[ . 1 . 2]" 1
247 1 59 GLN H 1 60 TYR HB2 . . 5.300 4.450 4.347 4.627 . 0 0 "[ . 1 . 2]" 1
248 1 59 GLN H 1 59 GLN QG . . 3.420 2.870 2.599 3.204 . 0 0 "[ . 1 . 2]" 1
249 1 59 GLN H 1 59 GLN HB3 . . 3.640 3.610 3.546 3.667 0.027 12 0 "[ . 1 . 2]" 1
250 1 59 GLN H 1 59 GLN HB2 . . 2.970 2.390 2.276 2.628 . 0 0 "[ . 1 . 2]" 1
251 1 57 PRO HB2 1 59 GLN H . . 3.850 2.436 2.351 2.585 . 0 0 "[ . 1 . 2]" 1
252 1 57 PRO HB3 1 59 GLN H . . 4.850 3.886 3.852 3.948 . 0 0 "[ . 1 . 2]" 1
253 1 59 GLN H 1 61 ILE HG13 . . 5.170 3.975 3.826 4.086 . 0 0 "[ . 1 . 2]" 1
254 1 15 LYS H 1 16 PHE H . . 2.890 2.478 2.360 2.569 . 0 0 "[ . 1 . 2]" 1
255 1 16 PHE H 1 17 ASP H . . 4.520 4.298 4.218 4.404 . 0 0 "[ . 1 . 2]" 1
256 1 14 ALA HA 1 16 PHE H . . 3.890 3.834 3.748 3.893 0.003 19 0 "[ . 1 . 2]" 1
257 1 16 PHE H 1 60 TYR HB3 . . 4.370 2.768 2.615 3.094 . 0 0 "[ . 1 . 2]" 1
258 1 16 PHE H 1 16 PHE HB2 . . 3.500 3.079 3.014 3.163 . 0 0 "[ . 1 . 2]" 1
259 1 16 PHE H 1 30 LYS QB . . 4.580 4.276 3.924 4.558 . 0 0 "[ . 1 . 2]" 1
260 1 14 ALA MB 1 16 PHE H . . 3.560 3.322 3.175 3.475 . 0 0 "[ . 1 . 2]" 1
261 1 15 LYS HB3 1 16 PHE H . . 4.010 3.164 2.766 3.418 . 0 0 "[ . 1 . 2]" 1
262 1 15 LYS HB2 1 16 PHE H . . 3.750 3.104 2.817 3.680 . 0 0 "[ . 1 . 2]" 1
263 1 16 PHE H 1 16 PHE HB3 . . 4.170 3.968 3.920 4.002 . 0 0 "[ . 1 . 2]" 1
264 1 53 ASP HA 1 54 GLY H . . 2.640 2.162 2.149 2.183 . 0 0 "[ . 1 . 2]" 1
265 1 48 ARG HA 1 54 GLY H . . 3.580 3.422 3.210 3.566 . 0 0 "[ . 1 . 2]" 1
266 1 46 GLU HA 1 54 GLY H . . 4.820 4.616 4.512 4.753 . 0 0 "[ . 1 . 2]" 1
267 1 53 ASP HB2 1 54 GLY H . . 3.430 3.296 3.197 3.421 . 0 0 "[ . 1 . 2]" 1
268 1 53 ASP HB3 1 54 GLY H . . 4.530 4.328 4.284 4.408 . 0 0 "[ . 1 . 2]" 1
269 1 26 LEU HG 1 54 GLY H . . 4.100 3.787 3.506 3.944 . 0 0 "[ . 1 . 2]" 1
270 1 26 LEU MD1 1 54 GLY H . . 3.150 2.341 1.879 2.581 . 0 0 "[ . 1 . 2]" 1
271 1 41 SER H 1 44 TRP H . . 3.630 3.191 3.037 3.373 . 0 0 "[ . 1 . 2]" 1
272 1 41 SER H 1 45 TRP HA . . 4.450 3.487 3.333 3.769 . 0 0 "[ . 1 . 2]" 1
273 1 39 ARG HA 1 41 SER H . . 4.060 3.760 3.622 3.894 . 0 0 "[ . 1 . 2]" 1
274 1 41 SER H 1 44 TRP HB2 . . 4.060 2.904 2.726 3.149 . 0 0 "[ . 1 . 2]" 1
275 1 39 ARG HD2 1 41 SER H . . 4.350 3.582 3.430 3.785 . 0 0 "[ . 1 . 2]" 1
276 1 39 ARG HB3 1 41 SER H . . 5.110 4.804 4.649 4.895 . 0 0 "[ . 1 . 2]" 1
277 1 40 ALA MB 1 41 SER H . . 3.210 2.656 2.507 2.788 . 0 0 "[ . 1 . 2]" 1
278 1 39 ARG HG3 1 41 SER H . . 3.770 2.492 2.280 2.590 . 0 0 "[ . 1 . 2]" 1
279 1 39 ARG HG3 1 40 ALA H . . 4.430 3.296 2.264 3.541 . 0 0 "[ . 1 . 2]" 1
280 1 21 ARG H 1 22 THR H . . 2.820 2.737 2.578 2.818 . 0 0 "[ . 1 . 2]" 1
281 1 22 THR H 1 22 THR HB . . 3.990 3.798 3.751 3.906 . 0 0 "[ . 1 . 2]" 1
282 1 20 GLY HA2 1 22 THR H . . 3.930 3.635 3.484 3.715 . 0 0 "[ . 1 . 2]" 1
283 1 20 GLY HA3 1 22 THR H . . 4.030 3.853 3.581 4.015 . 0 0 "[ . 1 . 2]" 1
284 1 22 THR H 1 25 GLU HB3 . . 4.020 3.889 3.706 4.022 0.002 3 0 "[ . 1 . 2]" 1
285 1 21 ARG QB 1 22 THR H . . 3.120 2.706 2.557 2.844 . 0 0 "[ . 1 . 2]" 1
286 1 22 THR H 1 25 GLU HB2 . . 3.280 2.345 2.197 2.492 . 0 0 "[ . 1 . 2]" 1
287 1 22 THR H 1 24 ARG HB2 . . 5.500 5.153 4.860 5.445 . 0 0 "[ . 1 . 2]" 1
288 1 22 THR H 1 22 THR MG . . 3.270 2.831 2.641 3.012 . 0 0 "[ . 1 . 2]" 1
289 1 39 ARG H 1 45 TRP HZ3 . . 4.710 4.144 3.694 4.618 . 0 0 "[ . 1 . 2]" 1
290 1 38 GLN HB2 1 39 ARG H . . 4.500 3.721 2.312 4.144 . 0 0 "[ . 1 . 2]" 1
291 1 38 GLN HB3 1 39 ARG H . . 4.500 3.117 2.433 4.143 . 0 0 "[ . 1 . 2]" 1
292 1 39 ARG H 1 39 ARG HB3 . . 3.490 2.490 2.417 2.611 . 0 0 "[ . 1 . 2]" 1
293 1 39 ARG H 1 39 ARG HG3 . . 4.560 4.402 4.361 4.464 . 0 0 "[ . 1 . 2]" 1
294 1 39 ARG H 1 39 ARG HB2 . . 3.500 2.716 2.522 2.869 . 0 0 "[ . 1 . 2]" 1
295 1 18 TYR HA 1 19 VAL H . . 2.640 2.271 2.222 2.375 . 0 0 "[ . 1 . 2]" 1
296 1 18 TYR HB2 1 19 VAL H . . 4.220 4.019 3.868 4.107 . 0 0 "[ . 1 . 2]" 1
297 1 63 VAL H 1 63 VAL HB . . 3.130 2.496 2.434 2.546 . 0 0 "[ . 1 . 2]" 1
298 1 12 ALA MB 1 63 VAL H . . 4.590 3.866 3.591 4.275 . 0 0 "[ . 1 . 2]" 1
299 1 63 VAL H 1 63 VAL MG1 . . 3.850 3.763 3.750 3.779 . 0 0 "[ . 1 . 2]" 1
300 1 63 VAL H 1 63 VAL MG2 . . 3.850 2.296 2.081 2.624 . 0 0 "[ . 1 . 2]" 1
301 1 15 LYS H 1 62 VAL H . . 4.210 4.055 3.922 4.211 0.001 6 0 "[ . 1 . 2]" 1
302 1 15 LYS H 1 15 LYS HB2 . . 3.550 2.209 2.162 2.328 . 0 0 "[ . 1 . 2]" 1
303 1 15 LYS H 1 15 LYS HG2 . . 4.670 3.976 3.180 4.640 . 0 0 "[ . 1 . 2]" 1
304 1 14 ALA H 1 15 LYS H . . 4.830 4.490 4.436 4.526 . 0 0 "[ . 1 . 2]" 1
305 1 14 ALA H 1 31 GLY HA2 . . 4.760 4.018 3.505 4.306 . 0 0 "[ . 1 . 2]" 1
306 1 14 ALA H 1 14 ALA MB . . 2.750 2.190 2.030 2.258 . 0 0 "[ . 1 . 2]" 1
307 1 13 ILE HB 1 14 ALA H . . 4.170 4.067 3.868 4.151 . 0 0 "[ . 1 . 2]" 1
308 1 13 ILE HG13 1 14 ALA H . . 5.380 5.248 5.027 5.380 0.000 3 0 "[ . 1 . 2]" 1
309 1 14 ALA H 1 34 LEU HG . . 4.350 3.717 3.397 4.000 . 0 0 "[ . 1 . 2]" 1
310 1 13 ILE HG12 1 14 ALA H . . 5.470 5.043 4.915 5.128 . 0 0 "[ . 1 . 2]" 1
311 1 14 ALA H 1 34 LEU HB2 . . 5.500 4.862 4.450 5.108 . 0 0 "[ . 1 . 2]" 1
312 1 14 ALA H 1 34 LEU MD2 . . 5.260 4.863 4.569 5.109 . 0 0 "[ . 1 . 2]" 1
313 1 14 ALA H 1 34 LEU MD1 . . 3.900 3.032 2.697 3.333 . 0 0 "[ . 1 . 2]" 1
314 1 12 ALA HA 1 64 GLN H . . 3.450 2.697 2.269 3.057 . 0 0 "[ . 1 . 2]" 1
315 1 63 VAL HA 1 64 GLN H . . 2.680 2.171 2.143 2.227 . 0 0 "[ . 1 . 2]" 1
316 1 64 GLN H 1 64 GLN HG2 . . 4.030 2.414 2.030 3.221 . 0 0 "[ . 1 . 2]" 1
317 1 64 GLN H 1 64 GLN HB3 . . 3.840 3.623 3.593 3.684 . 0 0 "[ . 1 . 2]" 1
318 1 64 GLN H 1 64 GLN HB2 . . 3.190 2.546 2.501 2.633 . 0 0 "[ . 1 . 2]" 1
319 1 12 ALA MB 1 64 GLN H . . 4.010 3.158 2.724 3.566 . 0 0 "[ . 1 . 2]" 1
320 1 10 ILE MG 1 64 GLN H . . 3.740 3.019 2.586 3.391 . 0 0 "[ . 1 . 2]" 1
321 1 52 ILE HB 1 53 ASP H . . 4.470 4.256 4.139 4.324 . 0 0 "[ . 1 . 2]" 1
322 1 52 ILE MG 1 53 ASP H . . 3.360 2.739 2.577 2.935 . 0 0 "[ . 1 . 2]" 1
323 1 26 LEU MD2 1 53 ASP H . . 4.600 3.991 3.687 4.252 . 0 0 "[ . 1 . 2]" 1
324 1 13 ILE HA 1 34 LEU H . . 3.630 3.312 3.131 3.566 . 0 0 "[ . 1 . 2]" 1
325 1 33 SER HB2 1 34 LEU H . . 4.300 4.204 3.996 4.306 0.006 11 0 "[ . 1 . 2]" 1
326 1 33 SER HB3 1 34 LEU H . . 4.300 4.157 3.936 4.302 0.002 6 0 "[ . 1 . 2]" 1
327 1 14 ALA MB 1 34 LEU H . . 5.500 5.077 4.788 5.327 . 0 0 "[ . 1 . 2]" 1
328 1 32 ALA MB 1 34 LEU H . . 5.500 5.085 4.914 5.249 . 0 0 "[ . 1 . 2]" 1
329 1 34 LEU H 1 34 LEU HG . . 3.370 2.816 2.647 2.944 . 0 0 "[ . 1 . 2]" 1
330 1 34 LEU H 1 34 LEU HB2 . . 3.220 2.759 2.681 2.859 . 0 0 "[ . 1 . 2]" 1
331 1 12 ALA MB 1 34 LEU H . . 4.070 4.004 3.741 4.076 0.006 11 0 "[ . 1 . 2]" 1
332 1 13 ILE MD 1 34 LEU H . . 4.200 3.310 2.985 3.517 . 0 0 "[ . 1 . 2]" 1
333 1 34 LEU H 1 34 LEU MD2 . . 4.100 4.020 3.863 4.102 0.002 11 0 "[ . 1 . 2]" 1
334 1 34 LEU H 1 34 LEU MD1 . . 4.080 3.654 3.563 3.806 . 0 0 "[ . 1 . 2]" 1
335 1 51 GLY H 1 52 ILE H . . 3.530 2.478 2.412 2.598 . 0 0 "[ . 1 . 2]" 1
336 1 49 HIS HA 1 51 GLY H . . 4.570 3.806 3.622 4.022 . 0 0 "[ . 1 . 2]" 1
337 1 50 ASN HA 1 51 GLY H . . 3.270 2.843 2.726 2.935 . 0 0 "[ . 1 . 2]" 1
338 1 50 ASN HB3 1 51 GLY H . . 5.050 4.235 4.099 4.433 . 0 0 "[ . 1 . 2]" 1
339 1 48 ARG HG2 1 51 GLY H . . 4.310 2.526 2.079 2.779 . 0 0 "[ . 1 . 2]" 1
340 1 48 ARG HG3 1 51 GLY H . . 4.310 3.544 2.675 3.871 . 0 0 "[ . 1 . 2]" 1
341 1 45 TRP H 1 58 HIS H . . 5.340 5.280 5.197 5.343 0.003 10 0 "[ . 1 . 2]" 1
342 1 45 TRP HD1 1 58 HIS H . . 3.860 3.580 3.452 3.698 . 0 0 "[ . 1 . 2]" 1
343 1 58 HIS H 1 58 HIS HB3 . . 3.180 2.494 2.442 2.533 . 0 0 "[ . 1 . 2]" 1
344 1 58 HIS H 1 58 HIS HB2 . . 3.120 2.706 2.608 2.780 . 0 0 "[ . 1 . 2]" 1
345 1 43 ASP QB 1 58 HIS H . . 5.360 4.477 3.955 4.868 . 0 0 "[ . 1 . 2]" 1
346 1 58 HIS H 1 59 GLN QG . . 5.500 4.016 3.719 4.487 . 0 0 "[ . 1 . 2]" 1
347 1 57 PRO HB2 1 58 HIS H . . 4.280 3.304 3.203 3.408 . 0 0 "[ . 1 . 2]" 1
348 1 57 PRO HB3 1 58 HIS H . . 4.410 3.851 3.788 3.917 . 0 0 "[ . 1 . 2]" 1
349 1 58 HIS H 1 61 ILE HG13 . . 4.870 4.484 4.323 4.627 . 0 0 "[ . 1 . 2]" 1
350 1 11 GLU H 1 11 GLU HG3 . . 3.510 3.015 2.825 3.114 . 0 0 "[ . 1 . 2]" 1
351 1 11 GLU H 1 11 GLU HB2 . . 3.040 2.216 2.181 2.267 . 0 0 "[ . 1 . 2]" 1
352 1 10 ILE HB 1 11 GLU H . . 4.320 4.234 4.174 4.276 . 0 0 "[ . 1 . 2]" 1
353 1 10 ILE MD 1 11 GLU H . . 5.500 5.311 5.236 5.369 . 0 0 "[ . 1 . 2]" 1
354 1 11 GLU H 1 12 ALA MB . . 5.500 5.130 5.068 5.202 . 0 0 "[ . 1 . 2]" 1
355 1 11 GLU H 1 35 LEU MD1 . . 4.750 4.038 3.846 4.167 . 0 0 "[ . 1 . 2]" 1
356 1 30 LYS QG 1 32 ALA H . . 4.750 4.662 4.477 4.751 0.001 17 0 "[ . 1 . 2]" 1
357 1 28 PHE HB2 1 32 ALA H . . 5.130 4.728 4.523 4.892 . 0 0 "[ . 1 . 2]" 1
358 1 29 LYS HB3 1 32 ALA H . . 4.860 4.568 4.008 4.819 . 0 0 "[ . 1 . 2]" 1
359 1 28 PHE QD 1 32 ALA H . . 5.340 4.902 4.647 5.077 . 0 0 "[ . 1 . 2]" 1
360 1 45 TRP H 1 56 ILE H . . 3.610 2.092 1.976 2.203 . 0 0 "[ . 1 . 2]" 1
361 1 45 TRP H 1 46 GLU H . . 4.880 4.423 4.411 4.434 . 0 0 "[ . 1 . 2]" 1
362 1 8 GLU H 1 9 PRO HD3 . . 5.060 4.979 4.914 5.063 0.003 11 0 "[ . 1 . 2]" 1
363 1 18 TYR H 1 28 PHE H . . 3.490 3.394 3.065 3.485 . 0 0 "[ . 1 . 2]" 1
364 1 18 TYR H 1 28 PHE QE . . 4.860 3.293 3.009 3.943 . 0 0 "[ . 1 . 2]" 1
365 1 17 ASP H 1 30 LYS QG . . 5.020 4.073 3.419 4.403 . 0 0 "[ . 1 . 2]" 1
366 1 60 TYR H 1 60 TYR QD . . 3.130 2.239 2.053 2.434 . 0 0 "[ . 1 . 2]" 1
367 1 31 GLY H 1 32 ALA H . . 3.140 2.896 2.512 3.069 . 0 0 "[ . 1 . 2]" 1
368 1 16 PHE H 1 31 GLY H . . 5.190 4.999 4.597 5.192 0.002 2 0 "[ . 1 . 2]" 1
369 1 13 ILE MD 1 33 SER H . . 4.900 4.353 3.925 4.611 . 0 0 "[ . 1 . 2]" 1
370 1 66 THR H 1 66 THR MG . . 4.610 2.897 1.915 3.950 . 0 0 "[ . 1 . 2]" 1
371 1 47 GLY H 1 54 GLY H . . 3.660 3.594 3.517 3.657 . 0 0 "[ . 1 . 2]" 1
372 1 60 TYR H 1 61 ILE H . . 2.750 2.611 2.334 2.760 0.010 19 0 "[ . 1 . 2]" 1
373 1 41 SER H 1 44 TRP HB3 . . 4.870 3.857 3.689 4.108 . 0 0 "[ . 1 . 2]" 1
374 1 22 THR H 1 25 GLU H . . 3.760 3.441 3.120 3.683 . 0 0 "[ . 1 . 2]" 1
375 1 39 ARG H 1 45 TRP HE3 . . 4.860 4.441 4.109 4.727 . 0 0 "[ . 1 . 2]" 1
376 1 58 HIS H 1 61 ILE MD . . 4.930 4.782 4.547 4.931 0.001 17 0 "[ . 1 . 2]" 1
377 1 36 LEU HB2 1 38 GLN H . . 5.380 5.279 5.102 5.385 0.005 18 0 "[ . 1 . 2]" 1
378 1 38 GLN H 1 39 ARG HA . . 5.010 4.693 4.615 4.765 . 0 0 "[ . 1 . 2]" 1
379 1 19 VAL H 1 20 GLY H . . 4.820 4.132 3.997 4.306 . 0 0 "[ . 1 . 2]" 1
380 1 14 ALA MB 1 28 PHE H . . 5.380 5.337 5.238 5.391 0.011 17 0 "[ . 1 . 2]" 1
381 1 18 TYR HB2 1 28 PHE H . . 5.020 4.833 4.604 5.029 0.009 12 0 "[ . 1 . 2]" 1
382 1 20 GLY HA3 1 25 GLU H . . 4.820 4.576 4.277 4.777 . 0 0 "[ . 1 . 2]" 1
383 1 22 THR MG 1 25 GLU H . . 4.950 4.497 4.385 4.606 . 0 0 "[ . 1 . 2]" 1
384 1 13 ILE H 1 62 VAL H . . 3.150 2.575 2.245 2.842 . 0 0 "[ . 1 . 2]" 1
385 1 48 ARG HA 1 52 ILE H . . 4.800 4.047 3.792 4.768 . 0 0 "[ . 1 . 2]" 1
386 1 29 LYS H 1 32 ALA H . . 5.090 4.073 3.884 4.513 . 0 0 "[ . 1 . 2]" 1
387 1 12 ALA H 1 36 LEU MD1 . . 5.240 4.104 3.869 4.246 . 0 0 "[ . 1 . 2]" 1
388 1 12 ALA H 1 36 LEU MD2 . . 5.370 4.262 4.060 4.508 . 0 0 "[ . 1 . 2]" 1
389 1 11 GLU HG3 1 12 ALA H . . 4.760 4.591 4.520 4.710 . 0 0 "[ . 1 . 2]" 1
390 1 13 ILE H 1 64 GLN HE21 . . 4.720 4.042 3.582 4.395 . 0 0 "[ . 1 . 2]" 1
391 1 13 ILE H 1 61 ILE MG . . 5.090 4.852 4.638 5.024 . 0 0 "[ . 1 . 2]" 1
392 1 13 ILE H 1 34 LEU MD1 . . 4.820 4.608 4.312 4.820 . 0 0 "[ . 1 . 2]" 1
393 1 14 ALA H 1 32 ALA H . . 4.230 4.146 3.771 4.233 0.003 18 0 "[ . 1 . 2]" 1
394 1 15 LYS H 1 60 TYR HB3 . . 4.890 3.834 3.615 4.132 . 0 0 "[ . 1 . 2]" 1
395 1 15 LYS H 1 16 PHE HB2 . . 5.500 5.389 5.126 5.504 0.004 11 0 "[ . 1 . 2]" 1
396 1 15 LYS H 1 60 TYR HB2 . . 5.500 4.709 4.512 5.071 . 0 0 "[ . 1 . 2]" 1
397 1 15 LYS HG3 1 16 PHE H . . 5.290 4.910 4.797 5.062 . 0 0 "[ . 1 . 2]" 1
398 1 16 PHE H 1 61 ILE MG . . 5.230 4.359 4.156 4.560 . 0 0 "[ . 1 . 2]" 1
399 1 16 PHE H 1 60 TYR QD . . 4.260 3.582 3.312 3.739 . 0 0 "[ . 1 . 2]" 1
400 1 16 PHE H 1 16 PHE QD . . 4.100 3.217 2.832 3.636 . 0 0 "[ . 1 . 2]" 1
401 1 18 TYR HB3 1 19 VAL H . . 4.630 3.798 3.584 3.981 . 0 0 "[ . 1 . 2]" 1
402 1 19 VAL HB 1 20 GLY H . . 4.840 4.337 4.196 4.430 . 0 0 "[ . 1 . 2]" 1
403 1 10 ILE HA 1 36 LEU H . . 4.910 4.617 4.563 4.712 . 0 0 "[ . 1 . 2]" 1
404 1 36 LEU H 1 47 GLY HA3 . . 5.360 4.719 4.570 4.862 . 0 0 "[ . 1 . 2]" 1
405 1 57 PRO HG3 1 60 TYR H . . 4.540 4.335 4.218 4.480 . 0 0 "[ . 1 . 2]" 1
406 1 56 ILE MG 1 60 TYR H . . 4.900 4.703 4.605 4.826 . 0 0 "[ . 1 . 2]" 1
407 1 62 VAL HB 1 64 GLN HE21 . . 4.930 3.049 2.471 3.970 . 0 0 "[ . 1 . 2]" 1
408 1 14 ALA H 1 31 GLY H . . 3.940 3.400 3.166 3.646 . 0 0 "[ . 1 . 2]" 1
409 1 39 ARG HE 1 44 TRP H . . 4.650 3.067 2.839 3.509 . 0 0 "[ . 1 . 2]" 1
410 1 51 GLY H 1 52 ILE HB . . 5.050 4.904 4.763 5.023 . 0 0 "[ . 1 . 2]" 1
411 1 50 ASN HB2 1 51 GLY H . . 5.050 4.492 4.136 4.648 . 0 0 "[ . 1 . 2]" 1
412 1 39 ARG HG3 1 44 TRP H . . 5.420 4.250 4.008 4.412 . 0 0 "[ . 1 . 2]" 1
413 1 39 ARG HG2 1 44 TRP H . . 5.460 5.331 5.083 5.463 0.003 18 0 "[ . 1 . 2]" 1
414 1 39 ARG HD2 1 44 TRP H . . 5.130 3.888 3.655 4.246 . 0 0 "[ . 1 . 2]" 1
415 1 42 ASP QB 1 44 TRP H . . 5.070 4.815 4.621 5.052 . 0 0 "[ . 1 . 2]" 1
416 1 41 SER HA 1 44 TRP H . . 5.180 4.548 4.391 4.670 . 0 0 "[ . 1 . 2]" 1
417 1 65 ASP HB3 1 66 THR H . . 5.420 4.013 2.749 4.664 . 0 0 "[ . 1 . 2]" 1
418 1 65 ASP HB2 1 66 THR H . . 5.420 3.814 2.351 4.575 . 0 0 "[ . 1 . 2]" 1
419 1 48 ARG H 1 49 HIS H . . 4.480 4.381 4.233 4.440 . 0 0 "[ . 1 . 2]" 1
420 1 37 TYR QE 1 48 ARG H . . 4.680 3.676 3.508 3.874 . 0 0 "[ . 1 . 2]" 1
421 1 48 ARG H 1 53 ASP HA . . 5.080 4.876 4.738 4.997 . 0 0 "[ . 1 . 2]" 1
422 1 35 LEU MD2 1 48 ARG H . . 4.790 4.273 4.104 4.638 . 0 0 "[ . 1 . 2]" 1
423 1 34 LEU MD2 1 48 ARG H . . 5.500 5.356 5.147 5.502 0.002 19 0 "[ . 1 . 2]" 1
424 1 44 TRP HB3 1 56 ILE H . . 4.810 3.809 3.549 3.982 . 0 0 "[ . 1 . 2]" 1
425 1 45 TRP HB3 1 56 ILE H . . 4.710 4.084 3.903 4.274 . 0 0 "[ . 1 . 2]" 1
426 1 9 PRO QG 1 10 ILE H . . 4.680 4.318 3.875 4.506 . 0 0 "[ . 1 . 2]" 1
427 1 40 ALA H 1 41 SER H . . 2.940 2.656 1.997 2.851 . 0 0 "[ . 1 . 2]" 1
428 1 39 ARG HE 1 41 SER H . . 4.970 4.160 3.957 4.501 . 0 0 "[ . 1 . 2]" 1
429 1 41 SER HB3 1 43 ASP H . . 5.250 2.503 2.290 2.910 . 0 0 "[ . 1 . 2]" 1
430 1 41 SER H 1 44 TRP HA . . 5.350 4.634 4.497 4.922 . 0 0 "[ . 1 . 2]" 1
431 1 39 ARG HB2 1 41 SER H . . 5.370 5.152 4.977 5.300 . 0 0 "[ . 1 . 2]" 1
432 1 20 GLY H 1 25 GLU HB2 . . 5.250 4.818 4.282 5.224 . 0 0 "[ . 1 . 2]" 1
433 1 20 GLY H 1 25 GLU HB3 . . 5.500 4.339 3.980 4.759 . 0 0 "[ . 1 . 2]" 1
434 1 62 VAL HB 1 64 GLN HE22 . . 5.270 4.329 3.587 4.836 . 0 0 "[ . 1 . 2]" 1
435 1 13 ILE HB 1 64 GLN HE22 . . 5.450 4.585 3.287 5.214 . 0 0 "[ . 1 . 2]" 1
436 1 13 ILE HB 1 64 GLN HE21 . . 5.350 3.546 2.514 4.417 . 0 0 "[ . 1 . 2]" 1
437 1 40 ALA MB 1 45 TRP H . . 5.180 3.413 3.001 4.094 . 0 0 "[ . 1 . 2]" 1
438 1 38 GLN H 1 39 ARG H . . 5.020 4.344 4.248 4.419 . 0 0 "[ . 1 . 2]" 1
439 1 36 LEU MD2 1 38 GLN H . . 5.280 4.759 4.659 4.948 . 0 0 "[ . 1 . 2]" 1
440 1 36 LEU MD1 1 38 GLN H . . 5.480 5.472 5.374 5.488 0.008 20 0 "[ . 1 . 2]" 1
441 1 39 ARG H 1 39 ARG HG2 . . 5.130 4.617 4.560 4.686 . 0 0 "[ . 1 . 2]" 1
442 1 40 ALA H 1 44 TRP HB2 . . 5.190 4.614 4.280 4.838 . 0 0 "[ . 1 . 2]" 1
443 1 40 ALA H 1 45 TRP HB2 . . 5.500 4.969 4.839 5.451 . 0 0 "[ . 1 . 2]" 1
444 1 40 ALA H 1 45 TRP HB3 . . 5.210 4.395 4.215 5.034 . 0 0 "[ . 1 . 2]" 1
445 1 39 ARG HB2 1 40 ALA H . . 4.720 4.443 4.153 4.529 . 0 0 "[ . 1 . 2]" 1
446 1 43 ASP H 1 44 TRP HD1 . . 5.300 3.786 3.566 3.925 . 0 0 "[ . 1 . 2]" 1
447 1 44 TRP HB2 1 44 TRP HE1 . . 5.250 4.753 4.751 4.759 . 0 0 "[ . 1 . 2]" 1
448 1 56 ILE H 1 56 ILE MD . . 4.410 3.938 3.746 4.169 . 0 0 "[ . 1 . 2]" 1
449 1 35 LEU H 1 56 ILE MD . . 4.470 4.017 3.658 4.238 . 0 0 "[ . 1 . 2]" 1
450 1 28 PHE QE 1 56 ILE MD . . 4.670 4.339 4.086 4.598 . 0 0 "[ . 1 . 2]" 1
451 1 56 ILE HA 1 56 ILE MD . . 4.030 3.858 3.810 3.885 . 0 0 "[ . 1 . 2]" 1
452 1 36 LEU HA 1 56 ILE MD . . 3.920 3.589 3.453 3.725 . 0 0 "[ . 1 . 2]" 1
453 1 47 GLY HA3 1 56 ILE MD . . 3.070 2.559 2.388 2.645 . 0 0 "[ . 1 . 2]" 1
454 1 45 TRP HB3 1 56 ILE MD . . 4.520 3.519 3.227 3.664 . 0 0 "[ . 1 . 2]" 1
455 1 45 TRP HB2 1 56 ILE MD . . 4.180 3.591 3.447 3.709 . 0 0 "[ . 1 . 2]" 1
456 1 26 LEU HB2 1 56 ILE MD . . 4.400 4.022 3.851 4.197 . 0 0 "[ . 1 . 2]" 1
457 1 36 LEU MD1 1 56 ILE MD . . 4.500 4.091 3.862 4.274 . 0 0 "[ . 1 . 2]" 1
458 1 37 TYR QD 1 47 GLY HA3 . . 4.080 3.953 3.824 4.086 0.006 14 0 "[ . 1 . 2]" 1
459 1 37 TYR H 1 47 GLY HA3 . . 3.520 3.198 3.028 3.491 . 0 0 "[ . 1 . 2]" 1
460 1 36 LEU HA 1 47 GLY HA3 . . 3.250 2.383 2.116 2.600 . 0 0 "[ . 1 . 2]" 1
461 1 37 TYR QD 1 47 GLY HA2 . . 3.810 2.280 2.143 2.450 . 0 0 "[ . 1 . 2]" 1
462 1 36 LEU HA 1 47 GLY HA2 . . 3.340 3.050 2.780 3.205 . 0 0 "[ . 1 . 2]" 1
463 1 47 GLY HA2 1 56 ILE MD . . 4.010 3.943 3.778 4.009 . 0 0 "[ . 1 . 2]" 1
464 1 37 TYR HB2 1 47 GLY HA2 . . 4.720 3.067 2.895 3.230 . 0 0 "[ . 1 . 2]" 1
465 1 13 ILE H 1 61 ILE MD . . 5.090 4.280 4.097 4.466 . 0 0 "[ . 1 . 2]" 1
466 1 61 ILE MD 1 63 VAL H . . 4.740 2.729 2.303 3.347 . 0 0 "[ . 1 . 2]" 1
467 1 45 TRP HD1 1 61 ILE MD . . 3.770 3.604 3.381 3.775 0.005 1 0 "[ . 1 . 2]" 1
468 1 61 ILE HA 1 61 ILE MD . . 4.370 3.585 3.541 3.659 . 0 0 "[ . 1 . 2]" 1
469 1 45 TRP HB2 1 61 ILE MD . . 4.780 4.343 4.162 4.536 . 0 0 "[ . 1 . 2]" 1
470 1 58 HIS HB3 1 61 ILE MD . . 5.150 4.605 4.334 4.765 . 0 0 "[ . 1 . 2]" 1
471 1 61 ILE MD 1 63 VAL HB . . 4.760 4.002 3.677 4.365 . 0 0 "[ . 1 . 2]" 1
472 1 61 ILE HB 1 61 ILE MD . . 3.140 2.211 2.091 2.272 . 0 0 "[ . 1 . 2]" 1
473 1 36 LEU MD1 1 61 ILE MD . . 2.910 2.424 2.221 2.631 . 0 0 "[ . 1 . 2]" 1
474 1 56 ILE HB 1 61 ILE MD . . 4.910 4.807 4.573 4.914 0.004 14 0 "[ . 1 . 2]" 1
475 1 20 GLY HA2 1 21 ARG H . . 2.900 2.177 2.145 2.203 . 0 0 "[ . 1 . 2]" 1
476 1 18 TYR QE 1 20 GLY HA2 . . 3.600 2.339 1.998 2.789 . 0 0 "[ . 1 . 2]" 1
477 1 20 GLY HA2 1 21 ARG HA . . 4.500 4.446 4.405 4.474 . 0 0 "[ . 1 . 2]" 1
478 1 20 GLY HA2 1 25 GLU HB3 . . 3.560 2.088 1.998 2.432 . 0 0 "[ . 1 . 2]" 1
479 1 20 GLY HA2 1 25 GLU HB2 . . 3.430 2.491 1.996 2.902 . 0 0 "[ . 1 . 2]" 1
480 1 19 VAL MG1 1 20 GLY HA2 . . 5.500 4.657 4.543 4.827 . 0 0 "[ . 1 . 2]" 1
481 1 19 VAL MG2 1 20 GLY HA2 . . 5.500 4.289 4.038 4.431 . 0 0 "[ . 1 . 2]" 1
482 1 20 GLY HA3 1 21 ARG H . . 3.450 3.394 3.323 3.432 . 0 0 "[ . 1 . 2]" 1
483 1 19 VAL HA 1 20 GLY HA3 . . 4.450 4.381 4.376 4.386 . 0 0 "[ . 1 . 2]" 1
484 1 20 GLY HA3 1 25 GLU HB3 . . 3.650 2.832 2.471 3.476 . 0 0 "[ . 1 . 2]" 1
485 1 20 GLY HA3 1 25 GLU HB2 . . 3.430 2.735 2.107 3.131 . 0 0 "[ . 1 . 2]" 1
486 1 18 TYR QE 1 20 GLY HA3 . . 4.210 3.834 3.439 4.192 . 0 0 "[ . 1 . 2]" 1
487 1 54 GLY HA2 1 55 LEU H . . 3.130 2.951 2.861 3.076 . 0 0 "[ . 1 . 2]" 1
488 1 26 LEU HG 1 54 GLY HA2 . . 4.160 4.078 3.942 4.165 0.005 18 0 "[ . 1 . 2]" 1
489 1 26 LEU MD2 1 54 GLY HA2 . . 3.630 3.390 3.258 3.530 . 0 0 "[ . 1 . 2]" 1
490 1 26 LEU HG 1 54 GLY HA3 . . 3.620 2.439 2.287 2.590 . 0 0 "[ . 1 . 2]" 1
491 1 24 ARG HB3 1 54 GLY HA2 . . 5.070 4.741 4.389 5.073 0.003 17 0 "[ . 1 . 2]" 1
492 1 10 ILE MD 1 45 TRP HH2 . . 3.660 2.844 2.550 3.206 . 0 0 "[ . 1 . 2]" 1
493 1 10 ILE MD 1 45 TRP HZ3 . . 3.560 2.551 2.142 2.820 . 0 0 "[ . 1 . 2]" 1
494 1 10 ILE MD 1 36 LEU MD1 . . 3.610 3.298 3.092 3.478 . 0 0 "[ . 1 . 2]" 1
495 1 48 ARG HD3 1 51 GLY HA2 . . 4.200 2.873 2.010 4.046 . 0 0 "[ . 1 . 2]" 1
496 1 48 ARG HG2 1 51 GLY HA2 . . 4.730 3.259 2.867 3.517 . 0 0 "[ . 1 . 2]" 1
497 1 48 ARG HG3 1 51 GLY HA2 . . 4.730 3.201 2.879 3.512 . 0 0 "[ . 1 . 2]" 1
498 1 44 TRP HB3 1 55 LEU HB3 . . 4.650 3.224 2.909 3.621 . 0 0 "[ . 1 . 2]" 1
499 1 7 GLY QA 1 8 GLU H . . 3.030 2.267 2.112 2.782 . 0 0 "[ . 1 . 2]" 1
500 1 7 GLY QA 1 8 GLU HG2 . . 5.500 4.398 3.465 5.500 . 3 0 "[ . 1 . 2]" 1
501 1 7 GLY QA 1 8 GLU HG3 . . 5.500 4.830 3.467 5.429 . 0 0 "[ . 1 . 2]" 1
502 1 55 LEU HB3 1 56 ILE H . . 4.220 2.759 2.547 3.088 . 0 0 "[ . 1 . 2]" 1
503 1 55 LEU H 1 55 LEU HB3 . . 3.990 3.631 3.502 3.686 . 0 0 "[ . 1 . 2]" 1
504 1 25 GLU HA 1 55 LEU HB3 . . 4.040 3.690 3.140 3.979 . 0 0 "[ . 1 . 2]" 1
505 1 25 GLU HG3 1 55 LEU HB3 . . 4.980 4.746 4.385 4.980 0.000 15 0 "[ . 1 . 2]" 1
506 1 25 GLU HG3 1 55 LEU HB2 . . 4.210 3.759 3.252 4.218 0.008 19 0 "[ . 1 . 2]" 1
507 1 34 LEU HB2 1 35 LEU H . . 4.100 3.922 3.625 4.061 . 0 0 "[ . 1 . 2]" 1
508 1 34 LEU HB2 1 34 LEU HG . . 2.990 2.624 2.590 2.644 . 0 0 "[ . 1 . 2]" 1
509 1 34 LEU HB2 1 56 ILE MG . . 4.400 4.033 3.878 4.201 . 0 0 "[ . 1 . 2]" 1
510 1 34 LEU HB2 1 56 ILE MD . . 4.600 3.637 3.451 3.904 . 0 0 "[ . 1 . 2]" 1
511 1 34 LEU HB2 1 34 LEU MD2 . . 3.660 3.141 3.115 3.163 . 0 0 "[ . 1 . 2]" 1
512 1 34 LEU H 1 34 LEU HB3 . . 3.970 3.819 3.779 3.862 . 0 0 "[ . 1 . 2]" 1
513 1 12 ALA H 1 34 LEU HB3 . . 5.230 5.073 4.824 5.216 . 0 0 "[ . 1 . 2]" 1
514 1 34 LEU HB3 1 34 LEU MD1 . . 3.460 2.623 2.519 2.687 . 0 0 "[ . 1 . 2]" 1
515 1 35 LEU HB2 1 36 LEU H . . 4.730 4.305 4.224 4.439 . 0 0 "[ . 1 . 2]" 1
516 1 35 LEU HB2 1 48 ARG H . . 4.970 4.247 4.155 4.387 . 0 0 "[ . 1 . 2]" 1
517 1 9 PRO HB2 1 35 LEU HB3 . . 4.440 4.422 4.331 4.457 0.017 19 0 "[ . 1 . 2]" 1
518 1 35 LEU HB3 1 35 LEU MD2 . . 3.660 2.116 1.980 2.261 . 0 0 "[ . 1 . 2]" 1
519 1 35 LEU HB3 1 35 LEU MD1 . . 3.620 3.178 3.129 3.193 . 0 0 "[ . 1 . 2]" 1
520 1 30 LYS QB 1 31 GLY HA3 . . 4.870 4.511 4.376 4.591 . 0 0 "[ . 1 . 2]" 1
521 1 14 ALA MB 1 31 GLY HA3 . . 4.960 4.240 3.988 4.605 . 0 0 "[ . 1 . 2]" 1
522 1 31 GLY HA3 1 32 ALA MB . . 5.340 4.557 4.474 4.635 . 0 0 "[ . 1 . 2]" 1
523 1 30 LYS QG 1 31 GLY HA3 . . 4.150 3.566 3.412 3.756 . 0 0 "[ . 1 . 2]" 1
524 1 13 ILE MG 1 31 GLY HA3 . . 3.990 3.819 3.597 3.992 0.002 15 0 "[ . 1 . 2]" 1
525 1 68 GLY HA2 1 69 PRO QD . . 3.250 2.317 1.999 3.317 0.067 14 0 "[ . 1 . 2]" 1
526 1 68 GLY HA3 1 69 PRO QD . . 3.250 2.347 1.926 2.728 . 0 0 "[ . 1 . 2]" 1
527 1 14 ALA MB 1 31 GLY HA2 . . 4.370 3.791 3.399 4.070 . 0 0 "[ . 1 . 2]" 1
528 1 30 LYS QG 1 31 GLY HA2 . . 4.300 3.709 3.604 3.804 . 0 0 "[ . 1 . 2]" 1
529 1 55 LEU HA 1 56 ILE HB . . 4.690 4.472 4.322 4.546 . 0 0 "[ . 1 . 2]" 1
530 1 45 TRP HB2 1 56 ILE HB . . 3.280 2.031 1.998 2.085 . 0 0 "[ . 1 . 2]" 1
531 1 56 ILE HB 1 56 ILE MD . . 3.510 2.261 2.115 2.360 . 0 0 "[ . 1 . 2]" 1
532 1 16 PHE HB3 1 17 ASP H . . 3.320 3.010 2.819 3.231 . 0 0 "[ . 1 . 2]" 1
533 1 16 PHE HB3 1 60 TYR QD . . 3.950 3.616 3.286 3.826 . 0 0 "[ . 1 . 2]" 1
534 1 16 PHE HB3 1 60 TYR QE . . 4.470 4.243 3.870 4.470 0.000 12 0 "[ . 1 . 2]" 1
535 1 16 PHE HB2 1 17 ASP H . . 3.930 3.756 3.500 3.944 0.014 17 0 "[ . 1 . 2]" 1
536 1 16 PHE HB2 1 60 TYR QD . . 3.410 2.071 1.997 2.272 . 0 0 "[ . 1 . 2]" 1
537 1 52 ILE H 1 52 ILE MD . . 4.500 3.694 1.884 4.193 . 0 0 "[ . 1 . 2]" 1
538 1 52 ILE HA 1 52 ILE MD . . 3.960 3.339 2.003 3.927 . 0 0 "[ . 1 . 2]" 1
539 1 52 ILE HB 1 52 ILE MD . . 3.320 2.553 2.195 3.229 . 0 0 "[ . 1 . 2]" 1
540 1 48 ARG HD2 1 51 GLY HA2 . . 4.200 3.042 2.000 4.010 . 0 0 "[ . 1 . 2]" 1
541 1 48 ARG HB2 1 48 ARG HD3 . . 3.960 3.262 2.536 3.876 . 0 0 "[ . 1 . 2]" 1
542 1 21 ARG H 1 21 ARG QD . . 4.600 4.067 3.426 4.417 . 0 0 "[ . 1 . 2]" 1
543 1 21 ARG QB 1 21 ARG QD . . 3.290 2.233 2.034 2.711 . 0 0 "[ . 1 . 2]" 1
544 1 24 ARG HB3 1 24 ARG HD2 . . 4.160 2.725 2.350 3.668 . 0 0 "[ . 1 . 2]" 1
545 1 24 ARG HB2 1 24 ARG HD2 . . 3.760 3.048 2.116 3.753 . 0 0 "[ . 1 . 2]" 1
546 1 24 ARG HA 1 24 ARG HD3 . . 4.460 3.265 2.009 4.383 . 0 0 "[ . 1 . 2]" 1
547 1 24 ARG HB3 1 24 ARG HD3 . . 4.160 2.857 2.393 4.099 . 0 0 "[ . 1 . 2]" 1
548 1 24 ARG HB2 1 24 ARG HD3 . . 3.760 3.490 2.492 3.748 . 0 0 "[ . 1 . 2]" 1
549 1 26 LEU HB2 1 28 PHE QE . . 4.430 3.501 3.275 3.682 . 0 0 "[ . 1 . 2]" 1
550 1 26 LEU HB2 1 27 SER H . . 4.340 3.865 3.486 4.106 . 0 0 "[ . 1 . 2]" 1
551 1 26 LEU HB2 1 28 PHE QD . . 4.090 3.040 3.001 3.075 . 0 0 "[ . 1 . 2]" 1
552 1 26 LEU HB2 1 26 LEU MD1 . . 3.240 2.235 2.135 2.336 . 0 0 "[ . 1 . 2]" 1
553 1 26 LEU HB2 1 56 ILE MG . . 5.120 4.506 4.239 4.776 . 0 0 "[ . 1 . 2]" 1
554 1 26 LEU H 1 26 LEU HB3 . . 3.900 3.769 3.650 3.844 . 0 0 "[ . 1 . 2]" 1
555 1 26 LEU HB3 1 27 SER H . . 4.030 2.876 2.421 3.209 . 0 0 "[ . 1 . 2]" 1
556 1 26 LEU HB3 1 26 LEU MD1 . . 3.410 2.436 2.361 2.520 . 0 0 "[ . 1 . 2]" 1
557 1 26 LEU HB3 1 56 ILE HG12 . . 4.900 4.496 3.928 4.796 . 0 0 "[ . 1 . 2]" 1
558 1 26 LEU HB3 1 28 PHE QD . . 4.140 3.588 3.293 3.869 . 0 0 "[ . 1 . 2]" 1
559 1 26 LEU HB3 1 54 GLY HA3 . . 5.070 5.019 4.757 5.075 0.005 3 0 "[ . 1 . 2]" 1
560 1 43 ASP QB 1 44 TRP HE1 . . 3.900 3.840 3.745 3.901 0.001 20 0 "[ . 1 . 2]" 1
561 1 43 ASP H 1 43 ASP QB . . 3.530 2.510 2.345 2.631 . 0 0 "[ . 1 . 2]" 1
562 1 43 ASP QB 1 44 TRP HD1 . . 3.570 3.506 3.201 3.575 0.005 19 0 "[ . 1 . 2]" 1
563 1 43 ASP QB 1 44 TRP HB2 . . 4.650 4.599 4.487 4.646 . 0 0 "[ . 1 . 2]" 1
564 1 18 TYR HB2 1 28 PHE QE . . 4.150 2.771 2.587 2.942 . 0 0 "[ . 1 . 2]" 1
565 1 18 TYR HB2 1 60 TYR QD . . 3.880 2.693 2.583 2.879 . 0 0 "[ . 1 . 2]" 1
566 1 18 TYR HB2 1 28 PHE HZ . . 4.090 3.197 2.974 3.282 . 0 0 "[ . 1 . 2]" 1
567 1 18 TYR HB3 1 28 PHE QE . . 4.260 2.690 2.586 2.821 . 0 0 "[ . 1 . 2]" 1
568 1 18 TYR HB3 1 28 PHE HZ . . 4.070 2.789 2.675 2.935 . 0 0 "[ . 1 . 2]" 1
569 1 18 TYR HB3 1 28 PHE QD . . 4.330 3.411 3.237 3.552 . 0 0 "[ . 1 . 2]" 1
570 1 18 TYR HB3 1 60 TYR QD . . 4.420 4.310 4.178 4.417 . 0 0 "[ . 1 . 2]" 1
571 1 37 TYR QE 1 53 ASP HB2 . . 4.500 4.288 3.847 4.490 . 0 0 "[ . 1 . 2]" 1
572 1 39 ARG HD2 1 40 ALA H . . 4.220 3.795 3.203 4.019 . 0 0 "[ . 1 . 2]" 1
573 1 39 ARG HD2 1 45 TRP HZ2 . . 4.870 3.863 3.564 4.084 . 0 0 "[ . 1 . 2]" 1
574 1 39 ARG HB2 1 39 ARG HD2 . . 4.060 2.988 2.875 3.075 . 0 0 "[ . 1 . 2]" 1
575 1 39 ARG HA 1 39 ARG HD2 . . 3.470 2.672 2.544 2.733 . 0 0 "[ . 1 . 2]" 1
576 1 39 ARG HD3 1 45 TRP HZ2 . . 4.550 2.638 2.522 2.800 . 0 0 "[ . 1 . 2]" 1
577 1 39 ARG HD3 1 39 ARG QH1 . . 4.240 1.968 1.896 2.188 . 0 0 "[ . 1 . 2]" 1
578 1 39 ARG HA 1 39 ARG HD3 . . 4.010 3.301 3.199 3.421 . 0 0 "[ . 1 . 2]" 1
579 1 39 ARG HB2 1 39 ARG HD3 . . 3.660 2.137 2.090 2.218 . 0 0 "[ . 1 . 2]" 1
580 1 29 LYS HB3 1 29 LYS HE2 . . 4.640 4.043 3.327 4.674 0.034 6 0 "[ . 1 . 2]" 1
581 1 53 ASP H 1 53 ASP HB2 . . 3.740 3.646 3.625 3.672 . 0 0 "[ . 1 . 2]" 1
582 1 29 LYS HB3 1 29 LYS HE3 . . 4.640 3.803 2.068 4.701 0.061 17 0 "[ . 1 . 2]" 1
583 1 53 ASP H 1 53 ASP HB3 . . 3.200 2.540 2.452 2.675 . 0 0 "[ . 1 . 2]" 1
584 1 37 TYR QE 1 53 ASP HB3 . . 4.800 4.508 4.110 4.791 . 0 0 "[ . 1 . 2]" 1
585 1 39 ARG HD2 1 45 TRP HH2 . . 5.090 4.919 4.513 5.072 . 0 0 "[ . 1 . 2]" 1
586 1 15 LYS H 1 61 ILE HB . . 5.000 4.357 4.076 4.636 . 0 0 "[ . 1 . 2]" 1
587 1 36 LEU MD1 1 61 ILE HB . . 4.910 4.253 4.109 4.332 . 0 0 "[ . 1 . 2]" 1
588 1 16 PHE HA 1 30 LYS QE . . 4.780 3.896 1.943 4.760 . 0 0 "[ . 1 . 2]" 1
589 1 30 LYS QE 1 30 LYS QG . . 3.230 2.180 2.096 2.335 . 0 0 "[ . 1 . 2]" 1
590 1 17 ASP H 1 17 ASP HB2 . . 3.680 3.512 2.864 3.608 . 0 0 "[ . 1 . 2]" 1
591 1 17 ASP HB3 1 18 TYR H . . 4.410 4.276 3.798 4.403 . 0 0 "[ . 1 . 2]" 1
592 1 17 ASP HB3 1 29 LYS HA . . 4.210 2.899 2.435 4.218 0.008 17 0 "[ . 1 . 2]" 1
593 1 36 LEU H 1 36 LEU HB2 . . 3.630 2.624 2.545 2.691 . 0 0 "[ . 1 . 2]" 1
594 1 36 LEU HB2 1 45 TRP HE3 . . 4.390 3.959 3.738 4.093 . 0 0 "[ . 1 . 2]" 1
595 1 36 LEU H 1 36 LEU HB3 . . 3.800 3.741 3.674 3.776 . 0 0 "[ . 1 . 2]" 1
596 1 36 LEU HB3 1 45 TRP HZ3 . . 4.630 2.986 2.737 3.392 . 0 0 "[ . 1 . 2]" 1
597 1 10 ILE HB 1 36 LEU HB3 . . 3.810 3.471 3.383 3.564 . 0 0 "[ . 1 . 2]" 1
598 1 15 LYS QE 1 16 PHE QE . . 3.480 2.329 1.778 3.122 . 0 0 "[ . 1 . 2]" 1
599 1 15 LYS QE 1 16 PHE QD . . 4.790 3.601 2.598 4.351 . 0 0 "[ . 1 . 2]" 1
600 1 15 LYS HB3 1 15 LYS QE . . 4.310 2.497 2.019 3.091 . 0 0 "[ . 1 . 2]" 1
601 1 15 LYS HB2 1 15 LYS QE . . 4.270 2.921 2.125 3.515 . 0 0 "[ . 1 . 2]" 1
602 1 15 LYS QE 1 15 LYS HG2 . . 3.760 2.830 2.142 3.420 . 0 0 "[ . 1 . 2]" 1
603 1 15 LYS QE 1 15 LYS HG3 . . 3.760 2.871 2.223 3.445 . 0 0 "[ . 1 . 2]" 1
604 1 10 ILE MG 1 36 LEU HB3 . . 5.220 4.694 4.537 4.836 . 0 0 "[ . 1 . 2]" 1
605 1 65 ASP H 1 65 ASP HB3 . . 4.150 2.876 2.252 3.909 . 0 0 "[ . 1 . 2]" 1
606 1 12 ALA HA 1 13 ILE HB . . 4.980 4.623 4.587 4.678 . 0 0 "[ . 1 . 2]" 1
607 1 13 ILE HB 1 62 VAL HB . . 3.810 3.033 2.734 3.261 . 0 0 "[ . 1 . 2]" 1
608 1 10 ILE HB 1 36 LEU HB2 . . 3.250 2.006 1.998 2.027 . 0 0 "[ . 1 . 2]" 1
609 1 10 ILE HB 1 36 LEU HG . . 4.320 3.584 3.280 3.689 . 0 0 "[ . 1 . 2]" 1
610 1 10 ILE HB 1 10 ILE MD . . 3.420 2.307 2.191 2.429 . 0 0 "[ . 1 . 2]" 1
611 1 22 THR HB 1 23 ALA H . . 4.840 2.314 2.051 2.709 . 0 0 "[ . 1 . 2]" 1
612 1 42 ASP QB 1 43 ASP H . . 3.920 3.142 2.711 3.690 . 0 0 "[ . 1 . 2]" 1
613 1 37 TYR HB3 1 46 GLU HB3 . . 5.400 5.364 5.278 5.403 0.003 19 0 "[ . 1 . 2]" 1
614 1 37 TYR HB3 1 46 GLU HB2 . . 5.350 5.004 4.703 5.159 . 0 0 "[ . 1 . 2]" 1
615 1 37 TYR HB3 1 38 GLN H . . 3.810 3.539 3.440 3.596 . 0 0 "[ . 1 . 2]" 1
616 1 28 PHE HB2 1 49 HIS HD2 . . 4.800 3.990 3.227 4.656 . 0 0 "[ . 1 . 2]" 1
617 1 28 PHE HB3 1 29 LYS H . . 3.830 3.574 3.470 3.831 0.001 6 0 "[ . 1 . 2]" 1
618 1 28 PHE HB3 1 49 HIS HD2 . . 4.730 3.138 1.999 3.816 . 0 0 "[ . 1 . 2]" 1
619 1 28 PHE HB3 1 32 ALA MB . . 4.000 3.619 3.456 3.878 . 0 0 "[ . 1 . 2]" 1
620 1 60 TYR H 1 60 TYR HB3 . . 3.850 3.721 3.687 3.769 . 0 0 "[ . 1 . 2]" 1
621 1 28 PHE QE 1 60 TYR HB3 . . 3.850 2.500 2.300 2.686 . 0 0 "[ . 1 . 2]" 1
622 1 28 PHE HZ 1 60 TYR HB3 . . 3.870 3.311 3.156 3.657 . 0 0 "[ . 1 . 2]" 1
623 1 18 TYR HB2 1 60 TYR HB3 . . 4.870 2.565 2.240 2.856 . 0 0 "[ . 1 . 2]" 1
624 1 57 PRO HG2 1 60 TYR HB3 . . 4.010 3.668 3.572 3.711 . 0 0 "[ . 1 . 2]" 1
625 1 15 LYS HB2 1 60 TYR HB3 . . 5.500 4.258 3.650 4.960 . 0 0 "[ . 1 . 2]" 1
626 1 18 TYR HB3 1 60 TYR HB3 . . 5.500 3.816 3.589 4.128 . 0 0 "[ . 1 . 2]" 1
627 1 28 PHE QE 1 60 TYR HB2 . . 4.470 3.130 2.894 3.367 . 0 0 "[ . 1 . 2]" 1
628 1 28 PHE HZ 1 60 TYR HB2 . . 3.910 2.485 2.269 2.646 . 0 0 "[ . 1 . 2]" 1
629 1 18 TYR HB3 1 60 TYR HB2 . . 5.380 3.879 3.682 4.138 . 0 0 "[ . 1 . 2]" 1
630 1 49 HIS HE1 1 50 ASN HB3 . . 4.990 4.226 3.289 4.988 . 0 0 "[ . 1 . 2]" 1
631 1 25 GLU HG2 1 26 LEU H . . 5.500 4.232 3.794 4.885 . 0 0 "[ . 1 . 2]" 1
632 1 25 GLU HG2 1 44 TRP HZ3 . . 4.660 3.286 2.392 4.657 . 0 0 "[ . 1 . 2]" 1
633 1 25 GLU HG2 1 55 LEU HB3 . . 4.980 4.047 3.478 5.004 0.024 17 0 "[ . 1 . 2]" 1
634 1 25 GLU HG2 1 55 LEU HB2 . . 4.210 3.185 2.461 4.162 . 0 0 "[ . 1 . 2]" 1
635 1 25 GLU H 1 25 GLU HG3 . . 3.930 2.892 2.095 3.883 . 0 0 "[ . 1 . 2]" 1
636 1 11 GLU HG3 1 35 LEU HA . . 5.070 4.030 3.902 4.254 . 0 0 "[ . 1 . 2]" 1
637 1 11 GLU HA 1 11 GLU HG3 . . 3.870 2.483 2.438 2.594 . 0 0 "[ . 1 . 2]" 1
638 1 11 GLU H 1 11 GLU HG2 . . 4.350 4.207 4.083 4.274 . 0 0 "[ . 1 . 2]" 1
639 1 11 GLU HG2 1 35 LEU MD1 . . 3.940 2.690 2.404 2.930 . 0 0 "[ . 1 . 2]" 1
640 1 21 ARG H 1 25 GLU HG3 . . 5.020 4.177 3.099 4.947 . 0 0 "[ . 1 . 2]" 1
641 1 25 GLU HG3 1 26 LEU H . . 5.500 4.616 4.288 4.907 . 0 0 "[ . 1 . 2]" 1
642 1 8 GLU HA 1 8 GLU HG2 . . 3.950 3.234 2.360 3.898 . 0 0 "[ . 1 . 2]" 1
643 1 8 GLU HG3 1 9 PRO HD2 . . 4.870 3.864 2.798 4.521 . 0 0 "[ . 1 . 2]" 1
644 1 46 GLU HA 1 46 GLU HG3 . . 3.780 3.430 3.403 3.503 . 0 0 "[ . 1 . 2]" 1
645 1 46 GLU HB2 1 46 GLU HG2 . . 2.970 2.967 2.964 2.979 0.009 9 0 "[ . 1 . 2]" 1
646 1 46 GLU HB2 1 46 GLU HG3 . . 2.960 2.279 2.275 2.296 . 0 0 "[ . 1 . 2]" 1
647 1 48 ARG HB2 1 49 HIS H . . 4.620 3.951 3.764 4.122 . 0 0 "[ . 1 . 2]" 1
648 1 48 ARG HB2 1 48 ARG HD2 . . 3.960 3.228 2.639 3.743 . 0 0 "[ . 1 . 2]" 1
649 1 35 LEU HB3 1 48 ARG HB2 . . 4.810 4.675 4.512 4.791 . 0 0 "[ . 1 . 2]" 1
650 1 35 LEU MD2 1 48 ARG HB2 . . 5.070 4.636 4.471 4.791 . 0 0 "[ . 1 . 2]" 1
651 1 35 LEU H 1 48 ARG HB3 . . 4.990 4.597 4.142 4.815 . 0 0 "[ . 1 . 2]" 1
652 1 48 ARG HB3 1 53 ASP HA . . 4.950 4.818 4.563 4.946 . 0 0 "[ . 1 . 2]" 1
653 1 48 ARG HB3 1 49 HIS H . . 4.610 3.983 3.610 4.189 . 0 0 "[ . 1 . 2]" 1
654 1 35 LEU HB3 1 48 ARG HB3 . . 3.930 3.232 3.043 3.340 . 0 0 "[ . 1 . 2]" 1
655 1 35 LEU MD2 1 48 ARG HB3 . . 4.650 3.453 3.207 3.624 . 0 0 "[ . 1 . 2]" 1
656 1 35 LEU MD1 1 48 ARG HB3 . . 5.500 5.502 5.489 5.509 0.009 19 0 "[ . 1 . 2]" 1
657 1 29 LYS H 1 29 LYS HB3 . . 3.830 3.702 3.475 3.794 . 0 0 "[ . 1 . 2]" 1
658 1 29 LYS HB2 1 30 LYS H . . 4.210 3.948 3.479 4.203 . 0 0 "[ . 1 . 2]" 1
659 1 15 LYS H 1 15 LYS HB3 . . 3.540 3.289 2.850 3.493 . 0 0 "[ . 1 . 2]" 1
660 1 15 LYS HB3 1 16 PHE QE . . 4.840 2.907 2.633 3.455 . 0 0 "[ . 1 . 2]" 1
661 1 15 LYS HB3 1 16 PHE QD . . 4.590 2.923 2.477 3.089 . 0 0 "[ . 1 . 2]" 1
662 1 15 LYS HB3 1 16 PHE HA . . 5.240 4.621 4.533 4.676 . 0 0 "[ . 1 . 2]" 1
663 1 15 LYS HB3 1 61 ILE HA . . 5.500 4.571 3.741 5.105 . 0 0 "[ . 1 . 2]" 1
664 1 15 LYS HB3 1 15 LYS QD . . 3.530 2.456 2.090 2.904 . 0 0 "[ . 1 . 2]" 1
665 1 15 LYS HB2 1 16 PHE QE . . 4.660 3.746 3.179 4.661 0.001 1 0 "[ . 1 . 2]" 1
666 1 15 LYS HB2 1 15 LYS QD . . 3.550 2.745 2.105 3.384 . 0 0 "[ . 1 . 2]" 1
667 1 44 TRP HB3 1 44 TRP HE3 . . 3.850 2.882 2.779 2.938 . 0 0 "[ . 1 . 2]" 1
668 1 44 TRP HB2 1 45 TRP H . . 4.410 3.725 3.622 3.874 . 0 0 "[ . 1 . 2]" 1
669 1 13 ILE H 1 64 GLN HG3 . . 5.000 4.283 2.769 4.994 . 0 0 "[ . 1 . 2]" 1
670 1 64 GLN H 1 64 GLN HG3 . . 4.030 3.178 2.508 3.509 . 0 0 "[ . 1 . 2]" 1
671 1 12 ALA HA 1 64 GLN HG3 . . 4.300 3.223 2.528 3.757 . 0 0 "[ . 1 . 2]" 1
672 1 13 ILE HG12 1 64 GLN HG3 . . 4.980 3.337 2.863 3.795 . 0 0 "[ . 1 . 2]" 1
673 1 13 ILE HG12 1 64 GLN HG2 . . 4.980 3.912 3.318 4.597 . 0 0 "[ . 1 . 2]" 1
674 1 15 LYS QD 1 62 VAL HB . . 5.500 4.838 4.378 5.424 . 0 0 "[ . 1 . 2]" 1
675 1 13 ILE HG12 1 62 VAL HB . . 4.830 4.484 4.076 4.833 0.003 14 0 "[ . 1 . 2]" 1
676 1 62 VAL HB 1 63 VAL H . . 4.650 4.370 4.124 4.460 . 0 0 "[ . 1 . 2]" 1
677 1 20 GLY H 1 27 SER HB2 . . 4.560 2.815 1.905 3.405 . 0 0 "[ . 1 . 2]" 1
678 1 27 SER H 1 27 SER HB2 . . 4.090 3.477 2.502 3.747 . 0 0 "[ . 1 . 2]" 1
679 1 27 SER H 1 27 SER HB3 . . 4.090 2.753 2.212 3.694 . 0 0 "[ . 1 . 2]" 1
680 1 43 ASP QB 1 58 HIS HB2 . . 5.500 5.379 5.103 5.504 0.004 7 0 "[ . 1 . 2]" 1
681 1 58 HIS HB2 1 59 GLN QG . . 5.500 5.244 5.029 5.536 0.036 12 0 "[ . 1 . 2]" 1
682 1 58 HIS HB2 1 59 GLN H . . 4.500 4.326 4.242 4.377 . 0 0 "[ . 1 . 2]" 1
683 1 45 TRP HD1 1 58 HIS HB2 . . 3.770 2.388 2.307 2.447 . 0 0 "[ . 1 . 2]" 1
684 1 38 GLN H 1 38 GLN HG2 . . 4.970 3.944 2.253 4.689 . 0 0 "[ . 1 . 2]" 1
685 1 38 GLN H 1 38 GLN HG3 . . 4.970 4.169 3.261 5.006 0.036 20 0 "[ . 1 . 2]" 1
686 1 9 PRO HB3 1 10 ILE H . . 3.970 3.592 3.268 3.776 . 0 0 "[ . 1 . 2]" 1
687 1 9 PRO HB3 1 37 TYR QD . . 3.980 2.147 1.999 2.396 . 0 0 "[ . 1 . 2]" 1
688 1 9 PRO HB3 1 37 TYR QE . . 4.400 2.620 2.357 2.945 . 0 0 "[ . 1 . 2]" 1
689 1 9 PRO HB3 1 35 LEU HG . . 4.140 3.005 2.718 3.271 . 0 0 "[ . 1 . 2]" 1
690 1 9 PRO HB3 1 35 LEU HB3 . . 4.850 4.863 4.851 4.877 0.027 4 0 "[ . 1 . 2]" 1
691 1 9 PRO HB2 1 37 TYR QD . . 4.510 3.702 3.513 3.927 . 0 0 "[ . 1 . 2]" 1
692 1 9 PRO HB2 1 35 LEU HG . . 4.020 1.988 1.975 1.999 . 0 0 "[ . 1 . 2]" 1
693 1 17 ASP H 1 30 LYS QB . . 3.470 2.103 1.890 2.415 . 0 0 "[ . 1 . 2]" 1
694 1 29 LYS HA 1 30 LYS QB . . 4.830 4.195 4.142 4.244 . 0 0 "[ . 1 . 2]" 1
695 1 9 PRO HB2 1 35 LEU HA . . 5.170 4.182 3.935 4.311 . 0 0 "[ . 1 . 2]" 1
696 1 30 LYS QB 1 30 LYS QE . . 4.550 3.442 2.038 3.671 . 0 0 "[ . 1 . 2]" 1
697 1 26 LEU MD1 1 49 HIS HB2 . . 4.230 2.624 2.342 2.986 . 0 0 "[ . 1 . 2]" 1
698 1 62 VAL HA 1 63 VAL HB . . 4.690 4.594 4.503 4.641 . 0 0 "[ . 1 . 2]" 1
699 1 9 PRO HB3 1 35 LEU MD2 . . 3.360 2.685 2.140 3.147 . 0 0 "[ . 1 . 2]" 1
700 1 19 VAL H 1 19 VAL HB . . 3.260 3.225 3.178 3.262 0.002 17 0 "[ . 1 . 2]" 1
701 1 18 TYR HA 1 19 VAL HB . . 4.760 4.467 4.349 4.530 . 0 0 "[ . 1 . 2]" 1
702 1 41 SER HB3 1 42 ASP H . . 4.690 2.881 2.064 3.455 . 0 0 "[ . 1 . 2]" 1
703 1 41 SER HB2 1 42 ASP H . . 4.690 3.740 3.228 4.042 . 0 0 "[ . 1 . 2]" 1
704 1 25 GLU HB3 1 26 LEU H . . 3.860 2.422 2.096 3.037 . 0 0 "[ . 1 . 2]" 1
705 1 18 TYR QE 1 25 GLU HB3 . . 4.080 2.637 2.249 3.130 . 0 0 "[ . 1 . 2]" 1
706 1 25 GLU HB3 1 55 LEU HB2 . . 4.880 4.329 3.820 4.677 . 0 0 "[ . 1 . 2]" 1
707 1 18 TYR QE 1 25 GLU HB2 . . 4.620 3.945 3.227 4.332 . 0 0 "[ . 1 . 2]" 1
708 1 25 GLU HB2 1 55 LEU HB2 . . 5.260 4.790 4.452 5.111 . 0 0 "[ . 1 . 2]" 1
709 1 45 TRP HB3 1 56 ILE MG . . 5.200 3.989 3.679 4.255 . 0 0 "[ . 1 . 2]" 1
710 1 36 LEU MD1 1 45 TRP HB3 . . 4.790 3.528 3.347 3.767 . 0 0 "[ . 1 . 2]" 1
711 1 45 TRP HB2 1 45 TRP HE3 . . 4.110 4.063 4.049 4.079 . 0 0 "[ . 1 . 2]" 1
712 1 45 TRP HB3 1 56 ILE HB . . 3.830 2.977 2.879 3.117 . 0 0 "[ . 1 . 2]" 1
713 1 36 LEU HB3 1 45 TRP HB3 . . 4.380 3.730 3.506 3.972 . 0 0 "[ . 1 . 2]" 1
714 1 44 TRP HA 1 45 TRP HB2 . . 5.200 4.196 4.165 4.228 . 0 0 "[ . 1 . 2]" 1
715 1 45 TRP HB2 1 55 LEU HA . . 5.500 4.984 4.897 5.145 . 0 0 "[ . 1 . 2]" 1
716 1 36 LEU HB3 1 45 TRP HB2 . . 5.500 5.239 5.036 5.497 . 0 0 "[ . 1 . 2]" 1
717 1 33 SER H 1 33 SER HB2 . . 3.210 2.624 2.383 2.836 . 0 0 "[ . 1 . 2]" 1
718 1 13 ILE MD 1 33 SER HB2 . . 4.820 3.381 2.671 3.813 . 0 0 "[ . 1 . 2]" 1
719 1 33 SER H 1 33 SER HB3 . . 3.210 2.509 2.343 2.747 . 0 0 "[ . 1 . 2]" 1
720 1 11 GLU H 1 11 GLU HB3 . . 3.670 3.510 3.481 3.544 . 0 0 "[ . 1 . 2]" 1
721 1 10 ILE MG 1 11 GLU HB2 . . 4.890 4.229 4.113 4.327 . 0 0 "[ . 1 . 2]" 1
722 1 61 ILE MD 1 63 VAL HA . . 4.710 3.412 3.195 3.695 . 0 0 "[ . 1 . 2]" 1
723 1 13 ILE H 1 63 VAL HA . . 4.480 4.407 4.284 4.480 . 0 0 "[ . 1 . 2]" 1
724 1 12 ALA HA 1 63 VAL HA . . 3.390 3.303 3.120 3.391 0.001 14 0 "[ . 1 . 2]" 1
725 1 63 VAL HA 1 64 GLN HG2 . . 5.280 4.051 3.713 4.814 . 0 0 "[ . 1 . 2]" 1
726 1 63 VAL HA 1 63 VAL MG2 . . 3.070 2.316 2.189 2.445 . 0 0 "[ . 1 . 2]" 1
727 1 36 LEU MD1 1 63 VAL HA . . 4.360 2.957 2.707 3.289 . 0 0 "[ . 1 . 2]" 1
728 1 46 GLU H 1 46 GLU HB3 . . 3.900 3.785 3.745 3.820 . 0 0 "[ . 1 . 2]" 1
729 1 37 TYR QD 1 46 GLU HB3 . . 4.440 4.245 4.141 4.374 . 0 0 "[ . 1 . 2]" 1
730 1 37 TYR HB2 1 46 GLU HB3 . . 4.270 3.897 3.854 3.945 . 0 0 "[ . 1 . 2]" 1
731 1 46 GLU HB3 1 46 GLU HG2 . . 2.890 2.642 2.616 2.650 . 0 0 "[ . 1 . 2]" 1
732 1 45 TRP HB3 1 46 GLU HB2 . . 5.500 5.050 4.977 5.117 . 0 0 "[ . 1 . 2]" 1
733 1 37 TYR HB2 1 46 GLU HB2 . . 4.230 3.627 3.438 3.802 . 0 0 "[ . 1 . 2]" 1
734 1 24 ARG HB3 1 25 GLU H . . 4.980 3.131 3.015 3.315 . 0 0 "[ . 1 . 2]" 1
735 1 24 ARG HB3 1 55 LEU HB2 . . 4.830 3.442 3.090 3.787 . 0 0 "[ . 1 . 2]" 1
736 1 57 PRO HB2 1 60 TYR HB2 . . 4.380 3.179 2.846 3.345 . 0 0 "[ . 1 . 2]" 1
737 1 57 PRO HB2 1 60 TYR QD . . 3.290 2.206 2.035 2.315 . 0 0 "[ . 1 . 2]" 1
738 1 44 TRP HE3 1 57 PRO HB3 . . 4.730 4.142 3.953 4.293 . 0 0 "[ . 1 . 2]" 1
739 1 57 PRO HB3 1 60 TYR QD . . 3.960 3.527 3.267 3.702 . 0 0 "[ . 1 . 2]" 1
740 1 44 TRP HZ3 1 57 PRO HB3 . . 4.420 3.087 2.682 3.495 . 0 0 "[ . 1 . 2]" 1
741 1 45 TRP H 1 57 PRO HA . . 4.610 4.351 4.155 4.461 . 0 0 "[ . 1 . 2]" 1
742 1 57 PRO HA 1 59 GLN H . . 4.530 3.591 3.549 3.639 . 0 0 "[ . 1 . 2]" 1
743 1 57 PRO HA 1 58 HIS H . . 2.640 2.187 2.167 2.209 . 0 0 "[ . 1 . 2]" 1
744 1 44 TRP HE3 1 57 PRO HA . . 3.710 2.997 2.760 3.233 . 0 0 "[ . 1 . 2]" 1
745 1 45 TRP HD1 1 57 PRO HA . . 4.400 4.277 4.156 4.359 . 0 0 "[ . 1 . 2]" 1
746 1 44 TRP HA 1 57 PRO HA . . 3.170 2.833 2.635 2.965 . 0 0 "[ . 1 . 2]" 1
747 1 57 PRO HA 1 58 HIS HB3 . . 4.700 4.651 4.582 4.694 . 0 0 "[ . 1 . 2]" 1
748 1 57 PRO HA 1 58 HIS HB2 . . 4.610 4.503 4.469 4.567 . 0 0 "[ . 1 . 2]" 1
749 1 56 ILE MG 1 57 PRO HA . . 4.800 4.011 3.956 4.080 . 0 0 "[ . 1 . 2]" 1
750 1 8 GLU HB2 1 9 PRO HD3 . . 4.830 4.066 3.414 4.734 . 0 0 "[ . 1 . 2]" 1
751 1 8 GLU HB2 1 9 PRO HD2 . . 3.720 2.818 2.000 3.674 . 0 0 "[ . 1 . 2]" 1
752 1 8 GLU HB3 1 9 PRO HD3 . . 4.830 3.966 3.450 4.481 . 0 0 "[ . 1 . 2]" 1
753 1 16 PHE HA 1 30 LYS HD3 . . 4.260 3.837 3.502 4.233 . 0 0 "[ . 1 . 2]" 1
754 1 16 PHE HA 1 30 LYS HD2 . . 4.260 2.640 2.090 4.213 . 0 0 "[ . 1 . 2]" 1
755 1 39 ARG HB3 1 45 TRP HZ3 . . 5.380 5.126 4.930 5.354 . 0 0 "[ . 1 . 2]" 1
756 1 39 ARG HB2 1 45 TRP HE3 . . 4.880 4.112 3.991 4.264 . 0 0 "[ . 1 . 2]" 1
757 1 39 ARG HB2 1 45 TRP HZ3 . . 4.540 3.625 3.516 3.788 . 0 0 "[ . 1 . 2]" 1
758 1 66 THR HA 1 66 THR MG . . 3.340 2.748 2.162 3.206 . 0 0 "[ . 1 . 2]" 1
759 1 62 VAL HA 1 63 VAL H . . 2.610 2.170 2.142 2.229 . 0 0 "[ . 1 . 2]" 1
760 1 64 GLN HB2 1 65 ASP H . . 5.060 4.348 4.128 4.467 . 0 0 "[ . 1 . 2]" 1
761 1 15 LYS QD 1 16 PHE QE . . 3.930 3.166 2.597 3.795 . 0 0 "[ . 1 . 2]" 1
762 1 15 LYS QD 1 16 PHE QD . . 4.930 4.377 4.179 4.676 . 0 0 "[ . 1 . 2]" 1
763 1 15 LYS QD 1 60 TYR HA . . 4.920 4.333 3.463 4.916 . 0 0 "[ . 1 . 2]" 1
764 1 15 LYS QD 1 62 VAL MG2 . . 3.820 2.257 1.902 2.691 . 0 0 "[ . 1 . 2]" 1
765 1 61 ILE HA 1 62 VAL HA . . 4.980 4.411 4.398 4.422 . 0 0 "[ . 1 . 2]" 1
766 1 15 LYS QD 1 62 VAL HA . . 5.230 4.367 3.327 5.228 . 0 0 "[ . 1 . 2]" 1
767 1 12 ALA MB 1 62 VAL HA . . 4.830 4.438 4.185 4.773 . 0 0 "[ . 1 . 2]" 1
768 1 61 ILE MD 1 62 VAL HA . . 4.580 3.022 2.863 3.171 . 0 0 "[ . 1 . 2]" 1
769 1 36 LEU MD2 1 56 ILE HG13 . . 5.110 4.314 4.083 4.583 . 0 0 "[ . 1 . 2]" 1
770 1 47 GLY HA3 1 56 ILE HG13 . . 4.970 4.755 4.625 4.947 . 0 0 "[ . 1 . 2]" 1
771 1 26 LEU HB2 1 56 ILE HG13 . . 3.970 3.478 3.139 3.783 . 0 0 "[ . 1 . 2]" 1
772 1 28 PHE QE 1 56 ILE HG12 . . 4.280 2.965 2.773 3.217 . 0 0 "[ . 1 . 2]" 1
773 1 26 LEU HB2 1 56 ILE HG12 . . 4.140 3.063 2.696 3.261 . 0 0 "[ . 1 . 2]" 1
774 1 26 LEU MD1 1 56 ILE HG12 . . 3.420 2.648 2.328 3.023 . 0 0 "[ . 1 . 2]" 1
775 1 29 LYS HA 1 29 LYS HD3 . . 4.150 3.208 2.163 4.026 . 0 0 "[ . 1 . 2]" 1
776 1 10 ILE HA 1 11 GLU H . . 2.540 2.141 2.140 2.143 . 0 0 "[ . 1 . 2]" 1
777 1 10 ILE HA 1 11 GLU HA . . 4.460 4.388 4.380 4.395 . 0 0 "[ . 1 . 2]" 1
778 1 10 ILE HA 1 11 GLU HG3 . . 4.750 4.557 4.366 4.656 . 0 0 "[ . 1 . 2]" 1
779 1 10 ILE HA 1 11 GLU HB2 . . 5.020 4.324 4.284 4.380 . 0 0 "[ . 1 . 2]" 1
780 1 10 ILE HA 1 10 ILE HG12 . . 3.660 2.693 2.583 2.787 . 0 0 "[ . 1 . 2]" 1
781 1 10 ILE HA 1 10 ILE HG13 . . 3.660 2.943 2.833 3.068 . 0 0 "[ . 1 . 2]" 1
782 1 10 ILE HA 1 10 ILE MD . . 3.940 3.896 3.853 3.928 . 0 0 "[ . 1 . 2]" 1
783 1 19 VAL HA 1 20 GLY H . . 2.740 2.151 2.144 2.175 . 0 0 "[ . 1 . 2]" 1
784 1 24 ARG H 1 24 ARG HG3 . . 4.630 3.313 2.508 3.784 . 0 0 "[ . 1 . 2]" 1
785 1 45 TRP HD1 1 58 HIS HA . . 3.200 3.186 3.147 3.204 0.004 10 0 "[ . 1 . 2]" 1
786 1 58 HIS HA 1 61 ILE HG13 . . 3.400 2.107 2.003 2.209 . 0 0 "[ . 1 . 2]" 1
787 1 58 HIS HA 1 61 ILE MD . . 3.370 2.301 2.027 2.512 . 0 0 "[ . 1 . 2]" 1
788 1 59 GLN HB3 1 60 TYR QD . . 4.170 3.346 2.996 3.881 . 0 0 "[ . 1 . 2]" 1
789 1 59 GLN HB3 1 60 TYR QE . . 4.630 3.439 3.119 4.006 . 0 0 "[ . 1 . 2]" 1
790 1 59 GLN HB2 1 60 TYR QD . . 4.000 2.302 2.148 2.498 . 0 0 "[ . 1 . 2]" 1
791 1 52 ILE HA 1 52 ILE HG12 . . 3.840 2.882 2.566 3.545 . 0 0 "[ . 1 . 2]" 1
792 1 52 ILE HA 1 53 ASP H . . 2.660 2.140 2.138 2.145 . 0 0 "[ . 1 . 2]" 1
793 1 51 GLY HA2 1 52 ILE HA . . 5.110 4.436 4.386 4.612 . 0 0 "[ . 1 . 2]" 1
794 1 52 ILE HA 1 53 ASP HB3 . . 4.560 4.405 4.320 4.505 . 0 0 "[ . 1 . 2]" 1
795 1 52 ILE HA 1 52 ILE HG13 . . 3.840 3.092 2.339 3.834 . 0 0 "[ . 1 . 2]" 1
796 1 15 LYS H 1 61 ILE HA . . 3.010 2.104 1.892 2.345 . 0 0 "[ . 1 . 2]" 1
797 1 13 ILE H 1 61 ILE HA . . 4.670 4.386 4.128 4.646 . 0 0 "[ . 1 . 2]" 1
798 1 16 PHE H 1 61 ILE HA . . 4.730 4.465 4.196 4.676 . 0 0 "[ . 1 . 2]" 1
799 1 61 ILE HA 1 61 ILE HB . . 2.960 2.424 2.413 2.433 . 0 0 "[ . 1 . 2]" 1
800 1 15 LYS HB2 1 61 ILE HA . . 4.060 3.032 2.362 3.470 . 0 0 "[ . 1 . 2]" 1
801 1 12 ALA MB 1 61 ILE HA . . 4.720 4.351 4.083 4.599 . 0 0 "[ . 1 . 2]" 1
802 1 22 THR HA 1 22 THR HB . . 2.730 2.452 2.422 2.486 . 0 0 "[ . 1 . 2]" 1
803 1 22 THR HA 1 23 ALA HA . . 4.600 4.301 4.296 4.310 . 0 0 "[ . 1 . 2]" 1
804 1 21 ARG QB 1 22 THR HA . . 4.950 4.151 4.077 4.338 . 0 0 "[ . 1 . 2]" 1
805 1 22 THR HA 1 25 GLU HB2 . . 5.500 4.887 4.768 5.124 . 0 0 "[ . 1 . 2]" 1
806 1 22 THR HA 1 22 THR MG . . 3.010 2.363 2.256 2.459 . 0 0 "[ . 1 . 2]" 1
807 1 9 PRO QG 1 35 LEU HA . . 5.500 5.403 4.881 5.519 0.019 10 0 "[ . 1 . 2]" 1
808 1 9 PRO QG 1 37 TYR HA . . 5.500 5.145 4.945 5.503 0.003 19 0 "[ . 1 . 2]" 1
809 1 10 ILE HG12 1 10 ILE MG . . 3.640 2.270 2.101 2.352 . 0 0 "[ . 1 . 2]" 1
810 1 10 ILE HG13 1 10 ILE MG . . 3.640 3.184 3.153 3.195 . 0 0 "[ . 1 . 2]" 1
811 1 22 THR HA 1 23 ALA MB . . 4.570 4.185 4.079 4.246 . 0 0 "[ . 1 . 2]" 1
812 1 9 PRO QG 1 37 TYR QD . . 4.270 3.881 3.639 4.181 . 0 0 "[ . 1 . 2]" 1
813 1 9 PRO QG 1 37 TYR QE . . 4.160 3.123 2.741 3.584 . 0 0 "[ . 1 . 2]" 1
814 1 8 GLU HA 1 9 PRO QG . . 4.290 3.998 3.972 4.047 . 0 0 "[ . 1 . 2]" 1
815 1 21 ARG H 1 21 ARG HG3 . . 4.050 2.802 1.909 3.856 . 0 0 "[ . 1 . 2]" 1
816 1 48 ARG HG2 1 53 ASP HA . . 5.070 4.659 4.382 5.066 . 0 0 "[ . 1 . 2]" 1
817 1 48 ARG HA 1 48 ARG HG3 . . 4.050 2.766 2.548 2.946 . 0 0 "[ . 1 . 2]" 1
818 1 13 ILE HG13 1 62 VAL HB . . 5.190 4.996 4.638 5.195 0.005 17 0 "[ . 1 . 2]" 1
819 1 13 ILE HG12 1 64 GLN H . . 5.500 5.274 4.819 5.501 0.001 16 0 "[ . 1 . 2]" 1
820 1 18 TYR HA 1 60 TYR QD . . 4.170 3.744 3.284 4.102 . 0 0 "[ . 1 . 2]" 1
821 1 18 TYR HA 1 60 TYR QE . . 4.590 4.199 3.786 4.544 . 0 0 "[ . 1 . 2]" 1
822 1 18 TYR HA 1 28 PHE HZ . . 5.500 5.464 5.339 5.505 0.005 17 0 "[ . 1 . 2]" 1
823 1 18 TYR HA 1 18 TYR QD . . 3.950 2.867 2.487 3.109 . 0 0 "[ . 1 . 2]" 1
824 1 18 TYR HA 1 19 VAL HA . . 4.760 4.430 4.412 4.473 . 0 0 "[ . 1 . 2]" 1
825 1 35 LEU H 1 35 LEU HG . . 4.890 4.604 4.557 4.664 . 0 0 "[ . 1 . 2]" 1
826 1 52 ILE HG13 1 52 ILE MG . . 3.450 2.932 2.429 3.198 . 0 0 "[ . 1 . 2]" 1
827 1 17 ASP H 1 30 LYS HA . . 4.480 3.816 3.307 4.139 . 0 0 "[ . 1 . 2]" 1
828 1 16 PHE H 1 30 LYS HA . . 4.060 3.824 3.611 3.938 . 0 0 "[ . 1 . 2]" 1
829 1 16 PHE HA 1 30 LYS HA . . 4.040 3.501 3.232 3.736 . 0 0 "[ . 1 . 2]" 1
830 1 14 ALA HA 1 30 LYS HA . . 4.900 4.514 4.217 4.763 . 0 0 "[ . 1 . 2]" 1
831 1 30 LYS HA 1 31 GLY HA3 . . 5.190 4.412 4.399 4.438 . 0 0 "[ . 1 . 2]" 1
832 1 15 LYS HA 1 30 LYS HA . . 4.920 4.758 4.594 4.916 . 0 0 "[ . 1 . 2]" 1
833 1 14 ALA MB 1 30 LYS HA . . 3.020 2.154 1.927 2.453 . 0 0 "[ . 1 . 2]" 1
834 1 30 LYS HA 1 30 LYS QG . . 3.000 2.451 2.385 2.512 . 0 0 "[ . 1 . 2]" 1
835 1 16 PHE H 1 60 TYR HA . . 4.540 3.092 2.894 3.335 . 0 0 "[ . 1 . 2]" 1
836 1 15 LYS H 1 60 TYR HA . . 4.800 3.510 3.279 3.788 . 0 0 "[ . 1 . 2]" 1
837 1 16 PHE QD 1 60 TYR HA . . 3.220 2.236 2.006 2.726 . 0 0 "[ . 1 . 2]" 1
838 1 60 TYR HA 1 60 TYR QD . . 3.950 3.179 3.133 3.201 . 0 0 "[ . 1 . 2]" 1
839 1 16 PHE HB2 1 60 TYR HA . . 4.090 3.770 3.109 4.088 . 0 0 "[ . 1 . 2]" 1
840 1 57 PRO HG2 1 60 TYR HA . . 5.500 4.805 4.768 4.901 . 0 0 "[ . 1 . 2]" 1
841 1 15 LYS HB3 1 60 TYR HA . . 4.170 2.972 2.058 3.808 . 0 0 "[ . 1 . 2]" 1
842 1 15 LYS HB2 1 60 TYR HA . . 3.750 2.601 2.004 3.362 . 0 0 "[ . 1 . 2]" 1
843 1 15 LYS QE 1 60 TYR HA . . 4.650 3.594 2.807 4.653 0.003 13 0 "[ . 1 . 2]" 1
844 1 14 ALA MB 1 34 LEU HG . . 4.170 3.342 3.086 3.675 . 0 0 "[ . 1 . 2]" 1
845 1 32 ALA MB 1 34 LEU HG . . 4.550 3.381 3.140 3.502 . 0 0 "[ . 1 . 2]" 1
846 1 26 LEU MD1 1 49 HIS H . . 3.360 2.912 2.254 3.322 . 0 0 "[ . 1 . 2]" 1
847 1 26 LEU MD1 1 27 SER H . . 5.220 4.847 4.486 5.105 . 0 0 "[ . 1 . 2]" 1
848 1 26 LEU MD1 1 52 ILE H . . 5.500 4.667 4.278 5.348 . 0 0 "[ . 1 . 2]" 1
849 1 26 LEU MD1 1 48 ARG HA . . 3.360 2.903 2.706 3.135 . 0 0 "[ . 1 . 2]" 1
850 1 26 LEU MD1 1 49 HIS HA . . 4.620 4.143 3.865 4.364 . 0 0 "[ . 1 . 2]" 1
851 1 26 LEU HA 1 26 LEU MD1 . . 4.350 3.922 3.892 3.955 . 0 0 "[ . 1 . 2]" 1
852 1 26 LEU MD1 1 54 GLY HA2 . . 5.200 4.054 3.756 4.250 . 0 0 "[ . 1 . 2]" 1
853 1 26 LEU MD1 1 54 GLY HA3 . . 4.470 3.024 2.767 3.299 . 0 0 "[ . 1 . 2]" 1
854 1 26 LEU MD1 1 49 HIS HB3 . . 3.220 2.368 1.979 3.061 . 0 0 "[ . 1 . 2]" 1
855 1 26 LEU MD1 1 56 ILE HG13 . . 3.270 2.223 1.925 2.574 . 0 0 "[ . 1 . 2]" 1
856 1 26 LEU MD1 1 34 LEU MD2 . . 4.040 3.714 3.463 3.872 . 0 0 "[ . 1 . 2]" 1
857 1 37 TYR HA 1 37 TYR QD . . 3.070 2.122 1.988 2.187 . 0 0 "[ . 1 . 2]" 1
858 1 9 PRO HB3 1 37 TYR HA . . 3.980 3.299 3.033 3.746 . 0 0 "[ . 1 . 2]" 1
859 1 39 ARG HG2 1 41 SER H . . 4.280 4.168 3.830 4.260 . 0 0 "[ . 1 . 2]" 1
860 1 26 LEU H 1 56 ILE HA . . 5.180 3.822 3.691 4.163 . 0 0 "[ . 1 . 2]" 1
861 1 44 TRP HZ3 1 56 ILE HA . . 4.210 3.751 3.452 3.968 . 0 0 "[ . 1 . 2]" 1
862 1 56 ILE HA 1 57 PRO HG2 . . 4.870 4.242 4.214 4.269 . 0 0 "[ . 1 . 2]" 1
863 1 26 LEU MD1 1 56 ILE HA . . 4.630 4.156 3.896 4.441 . 0 0 "[ . 1 . 2]" 1
864 1 44 TRP HE3 1 56 ILE HA . . 5.130 3.809 3.543 3.992 . 0 0 "[ . 1 . 2]" 1
865 1 28 PHE QE 1 56 ILE HA . . 3.960 3.048 2.868 3.189 . 0 0 "[ . 1 . 2]" 1
866 1 56 ILE HA 1 57 PRO HD3 . . 2.950 2.272 2.261 2.287 . 0 0 "[ . 1 . 2]" 1
867 1 56 ILE HA 1 56 ILE HG13 . . 3.520 2.722 2.614 2.837 . 0 0 "[ . 1 . 2]" 1
868 1 56 ILE HA 1 56 ILE HG12 . . 3.420 2.702 2.604 2.781 . 0 0 "[ . 1 . 2]" 1
869 1 56 ILE HA 1 57 PRO HG3 . . 4.660 4.323 4.316 4.331 . 0 0 "[ . 1 . 2]" 1
870 1 34 LEU MD1 1 56 ILE HA . . 5.250 5.175 4.973 5.255 0.005 8 0 "[ . 1 . 2]" 1
871 1 39 ARG HG2 1 40 ALA H . . 5.120 4.905 3.989 5.114 . 0 0 "[ . 1 . 2]" 1
872 1 28 PHE QE 1 34 LEU MD1 . . 4.310 3.201 2.954 3.375 . 0 0 "[ . 1 . 2]" 1
873 1 28 PHE HZ 1 34 LEU MD1 . . 4.710 3.773 3.485 4.026 . 0 0 "[ . 1 . 2]" 1
874 1 28 PHE QD 1 34 LEU MD1 . . 4.490 2.968 2.711 3.165 . 0 0 "[ . 1 . 2]" 1
875 1 34 LEU MD1 1 61 ILE HA . . 4.410 3.996 3.663 4.271 . 0 0 "[ . 1 . 2]" 1
876 1 14 ALA MB 1 34 LEU MD1 . . 3.220 2.091 1.932 2.361 . 0 0 "[ . 1 . 2]" 1
877 1 34 LEU MD1 1 61 ILE HB . . 4.090 3.263 2.991 3.514 . 0 0 "[ . 1 . 2]" 1
878 1 34 LEU HB2 1 34 LEU MD1 . . 3.140 2.115 2.025 2.204 . 0 0 "[ . 1 . 2]" 1
879 1 13 ILE HA 1 14 ALA H . . 2.590 2.182 2.155 2.265 . 0 0 "[ . 1 . 2]" 1
880 1 13 ILE HA 1 14 ALA HA . . 4.410 4.344 4.333 4.356 . 0 0 "[ . 1 . 2]" 1
881 1 13 ILE HA 1 14 ALA MB . . 4.160 3.990 3.936 4.026 . 0 0 "[ . 1 . 2]" 1
882 1 13 ILE HA 1 13 ILE HG13 . . 3.970 3.716 3.654 3.781 . 0 0 "[ . 1 . 2]" 1
883 1 13 ILE HA 1 34 LEU HG . . 4.390 4.204 3.857 4.398 0.008 6 0 "[ . 1 . 2]" 1
884 1 13 ILE HA 1 13 ILE HG12 . . 3.530 3.068 2.996 3.167 . 0 0 "[ . 1 . 2]" 1
885 1 13 ILE HA 1 34 LEU MD1 . . 4.100 3.769 3.571 4.041 . 0 0 "[ . 1 . 2]" 1
886 1 57 PRO HG2 1 60 TYR QD . . 3.840 3.262 3.051 3.404 . 0 0 "[ . 1 . 2]" 1
887 1 57 PRO HG3 1 60 TYR HB2 . . 4.130 3.043 2.910 3.123 . 0 0 "[ . 1 . 2]" 1
888 1 59 GLN HA 1 59 GLN QG . . 3.390 2.639 2.311 2.985 . 0 0 "[ . 1 . 2]" 1
889 1 59 GLN HA 1 59 GLN HB3 . . 3.020 2.537 2.391 2.628 . 0 0 "[ . 1 . 2]" 1
890 1 58 HIS HD2 1 59 GLN HA . . 4.360 3.666 3.356 3.901 . 0 0 "[ . 1 . 2]" 1
891 1 58 HIS HB3 1 59 GLN HA . . 5.010 4.524 4.416 4.596 . 0 0 "[ . 1 . 2]" 1
892 1 28 PHE HZ 1 57 PRO HG2 . . 3.910 2.101 1.995 2.357 . 0 0 "[ . 1 . 2]" 1
893 1 57 PRO HG2 1 60 TYR HB2 . . 3.440 1.998 1.981 2.012 . 0 0 "[ . 1 . 2]" 1
894 1 36 LEU HG 1 61 ILE MD . . 4.760 4.514 4.248 4.689 . 0 0 "[ . 1 . 2]" 1
895 1 44 TRP HE3 1 55 LEU MD1 . . 5.080 3.905 3.537 4.203 . 0 0 "[ . 1 . 2]" 1
896 1 44 TRP HB3 1 55 LEU MD1 . . 4.520 3.437 3.161 3.675 . 0 0 "[ . 1 . 2]" 1
897 1 24 ARG HB3 1 55 LEU MD1 . . 4.810 2.380 1.988 2.898 . 0 0 "[ . 1 . 2]" 1
898 1 55 LEU HB3 1 55 LEU MD1 . . 3.280 2.406 2.294 2.526 . 0 0 "[ . 1 . 2]" 1
899 1 57 PRO HG3 1 60 TYR QD . . 4.180 3.549 3.258 3.713 . 0 0 "[ . 1 . 2]" 1
900 1 28 PHE HZ 1 57 PRO HG3 . . 4.140 3.029 2.874 3.249 . 0 0 "[ . 1 . 2]" 1
901 1 39 ARG QH2 1 42 ASP HA . . 4.170 2.186 1.882 2.559 . 0 0 "[ . 1 . 2]" 1
902 1 39 ARG HE 1 42 ASP HA . . 3.650 2.778 2.368 3.317 . 0 0 "[ . 1 . 2]" 1
903 1 10 ILE H 1 36 LEU HG . . 4.900 4.513 4.213 4.648 . 0 0 "[ . 1 . 2]" 1
904 1 36 LEU HG 1 45 TRP HE3 . . 5.200 4.894 4.765 5.102 . 0 0 "[ . 1 . 2]" 1
905 1 36 LEU HA 1 36 LEU HG . . 3.960 3.315 3.265 3.429 . 0 0 "[ . 1 . 2]" 1
906 1 36 LEU HG 1 56 ILE MD . . 4.880 4.262 4.022 4.547 . 0 0 "[ . 1 . 2]" 1
907 1 15 LYS HA 1 61 ILE HA . . 5.410 4.246 3.810 4.610 . 0 0 "[ . 1 . 2]" 1
908 1 15 LYS HA 1 30 LYS QE . . 4.940 4.177 3.606 4.927 . 0 0 "[ . 1 . 2]" 1
909 1 15 LYS HA 1 30 LYS QB . . 5.500 5.278 4.990 5.504 0.004 8 0 "[ . 1 . 2]" 1
910 1 14 ALA MB 1 15 LYS HA . . 4.660 4.410 4.333 4.472 . 0 0 "[ . 1 . 2]" 1
911 1 15 LYS HA 1 15 LYS QD . . 4.550 3.675 2.528 4.019 . 0 0 "[ . 1 . 2]" 1
912 1 15 LYS HA 1 30 LYS QG . . 3.720 3.562 3.297 3.723 0.003 17 0 "[ . 1 . 2]" 1
913 1 15 LYS HA 1 15 LYS HG2 . . 3.710 2.442 2.153 3.062 . 0 0 "[ . 1 . 2]" 1
914 1 15 LYS HA 1 15 LYS HG3 . . 3.710 2.894 2.214 3.601 . 0 0 "[ . 1 . 2]" 1
915 1 44 TRP HA 1 45 TRP H . . 2.680 2.400 2.326 2.452 . 0 0 "[ . 1 . 2]" 1
916 1 44 TRP HA 1 56 ILE H . . 4.680 3.991 3.813 4.150 . 0 0 "[ . 1 . 2]" 1
917 1 44 TRP HA 1 58 HIS H . . 3.650 3.502 3.373 3.654 0.004 5 0 "[ . 1 . 2]" 1
918 1 44 TRP HA 1 44 TRP HE3 . . 3.530 2.432 2.306 2.660 . 0 0 "[ . 1 . 2]" 1
919 1 44 TRP HA 1 45 TRP HD1 . . 4.220 3.469 3.304 3.610 . 0 0 "[ . 1 . 2]" 1
920 1 44 TRP HA 1 58 HIS HB2 . . 4.770 4.327 4.147 4.525 . 0 0 "[ . 1 . 2]" 1
921 1 40 ALA MB 1 41 SER HA . . 4.750 4.264 4.218 4.335 . 0 0 "[ . 1 . 2]" 1
922 1 21 ARG HA 1 21 ARG QD . . 4.230 3.451 2.015 4.212 . 0 0 "[ . 1 . 2]" 1
923 1 21 ARG HA 1 21 ARG HG3 . . 3.550 3.228 2.750 3.633 0.083 16 0 "[ . 1 . 2]" 1
924 1 21 ARG HA 1 21 ARG HG2 . . 3.550 2.470 2.261 2.761 . 0 0 "[ . 1 . 2]" 1
925 1 10 ILE H 1 35 LEU MD2 . . 5.030 4.955 4.389 5.039 0.009 19 0 "[ . 1 . 2]" 1
926 1 35 LEU MD2 1 36 LEU H . . 4.870 4.200 3.799 4.571 . 0 0 "[ . 1 . 2]" 1
927 1 35 LEU MD2 1 37 TYR QE . . 4.470 1.985 1.871 2.289 . 0 0 "[ . 1 . 2]" 1
928 1 35 LEU HA 1 35 LEU MD2 . . 3.950 3.823 3.792 3.842 . 0 0 "[ . 1 . 2]" 1
929 1 9 PRO QG 1 35 LEU MD2 . . 3.510 2.387 2.003 2.574 . 0 0 "[ . 1 . 2]" 1
930 1 24 ARG HA 1 24 ARG HD2 . . 4.460 3.883 3.130 4.460 0.000 3 0 "[ . 1 . 2]" 1
931 1 24 ARG HA 1 24 ARG HG3 . . 3.700 3.192 2.166 3.695 . 0 0 "[ . 1 . 2]" 1
932 1 24 ARG HA 1 24 ARG HG2 . . 3.700 2.630 2.201 3.498 . 0 0 "[ . 1 . 2]" 1
933 1 23 ALA MB 1 24 ARG HA . . 4.350 3.744 3.655 3.820 . 0 0 "[ . 1 . 2]" 1
934 1 29 LYS H 1 29 LYS HG3 . . 4.510 3.938 3.614 4.235 . 0 0 "[ . 1 . 2]" 1
935 1 29 LYS HA 1 29 LYS HG3 . . 4.060 3.195 2.252 3.884 . 0 0 "[ . 1 . 2]" 1
936 1 61 ILE HG12 1 62 VAL H . . 4.960 4.939 4.825 4.964 0.004 10 0 "[ . 1 . 2]" 1
937 1 61 ILE H 1 61 ILE HG12 . . 3.990 3.924 3.774 3.962 . 0 0 "[ . 1 . 2]" 1
938 1 45 TRP HD1 1 61 ILE HG12 . . 5.060 4.064 3.956 4.248 . 0 0 "[ . 1 . 2]" 1
939 1 58 HIS HA 1 61 ILE HG12 . . 3.810 2.751 2.560 2.968 . 0 0 "[ . 1 . 2]" 1
940 1 61 ILE HG13 1 62 VAL H . . 4.760 4.423 4.337 4.488 . 0 0 "[ . 1 . 2]" 1
941 1 61 ILE HG13 1 61 ILE MG . . 3.720 2.668 2.621 2.728 . 0 0 "[ . 1 . 2]" 1
942 1 56 ILE MG 1 61 ILE HG13 . . 4.420 3.641 3.505 3.762 . 0 0 "[ . 1 . 2]" 1
943 1 15 LYS H 1 15 LYS HG3 . . 4.670 3.534 3.073 4.269 . 0 0 "[ . 1 . 2]" 1
944 1 15 LYS HG3 1 16 PHE HZ . . 5.500 5.123 4.452 5.507 0.007 13 0 "[ . 1 . 2]" 1
945 1 40 ALA H 1 45 TRP HA . . 2.950 2.016 1.897 2.499 . 0 0 "[ . 1 . 2]" 1
946 1 38 GLN H 1 45 TRP HA . . 5.500 5.286 5.166 5.421 . 0 0 "[ . 1 . 2]" 1
947 1 45 TRP HA 1 45 TRP HE3 . . 4.010 3.515 3.443 3.586 . 0 0 "[ . 1 . 2]" 1
948 1 45 TRP HA 1 45 TRP HD1 . . 4.710 3.791 3.730 3.847 . 0 0 "[ . 1 . 2]" 1
949 1 39 ARG HA 1 45 TRP HA . . 2.870 2.373 2.285 2.476 . 0 0 "[ . 1 . 2]" 1
950 1 39 ARG HD2 1 45 TRP HA . . 4.420 3.124 2.827 3.284 . 0 0 "[ . 1 . 2]" 1
951 1 24 ARG HA 1 55 LEU H . . 4.850 4.206 3.903 4.439 . 0 0 "[ . 1 . 2]" 1
952 1 11 GLU HA 1 36 LEU H . . 4.050 3.598 3.416 3.826 . 0 0 "[ . 1 . 2]" 1
953 1 11 GLU HA 1 12 ALA H . . 2.630 2.147 2.139 2.164 . 0 0 "[ . 1 . 2]" 1
954 1 11 GLU HA 1 11 GLU HG2 . . 3.530 2.727 2.594 2.800 . 0 0 "[ . 1 . 2]" 1
955 1 11 GLU HA 1 36 LEU HG . . 4.500 4.288 4.116 4.502 0.002 19 0 "[ . 1 . 2]" 1
956 1 10 ILE MG 1 11 GLU HA . . 4.220 4.132 3.985 4.228 0.008 17 0 "[ . 1 . 2]" 1
957 1 24 ARG HB3 1 25 GLU HA . . 4.870 4.042 3.975 4.210 . 0 0 "[ . 1 . 2]" 1
958 1 25 GLU HA 1 26 LEU HB2 . . 5.500 4.685 4.601 4.770 . 0 0 "[ . 1 . 2]" 1
959 1 12 ALA H 1 35 LEU MD1 . . 4.130 4.118 4.021 4.136 0.006 14 0 "[ . 1 . 2]" 1
960 1 10 ILE H 1 35 LEU MD1 . . 4.580 4.407 3.883 4.585 0.005 20 0 "[ . 1 . 2]" 1
961 1 35 LEU H 1 35 LEU MD1 . . 4.590 3.940 3.865 4.034 . 0 0 "[ . 1 . 2]" 1
962 1 35 LEU MD1 1 37 TYR QD . . 5.500 5.286 5.011 5.385 . 0 0 "[ . 1 . 2]" 1
963 1 35 LEU MD1 1 37 TYR QE . . 4.520 4.393 4.153 4.547 0.027 14 0 "[ . 1 . 2]" 1
964 1 35 LEU HA 1 35 LEU MD1 . . 3.020 2.125 1.971 2.439 . 0 0 "[ . 1 . 2]" 1
965 1 11 GLU HA 1 35 LEU MD1 . . 3.400 2.646 2.570 2.730 . 0 0 "[ . 1 . 2]" 1
966 1 11 GLU HG3 1 35 LEU MD1 . . 4.050 2.188 2.120 2.234 . 0 0 "[ . 1 . 2]" 1
967 1 9 PRO QG 1 35 LEU MD1 . . 3.390 2.781 2.314 2.930 . 0 0 "[ . 1 . 2]" 1
968 1 9 PRO HB3 1 35 LEU MD1 . . 4.080 3.943 3.334 4.086 0.006 17 0 "[ . 1 . 2]" 1
969 1 11 GLU HB2 1 35 LEU MD1 . . 4.470 4.244 4.183 4.305 . 0 0 "[ . 1 . 2]" 1
970 1 9 PRO HB2 1 35 LEU MD1 . . 3.510 2.680 1.954 2.873 . 0 0 "[ . 1 . 2]" 1
971 1 46 GLU HA 1 55 LEU HA . . 3.450 3.067 2.831 3.258 . 0 0 "[ . 1 . 2]" 1
972 1 46 GLU HA 1 47 GLY HA3 . . 4.550 4.486 4.458 4.519 . 0 0 "[ . 1 . 2]" 1
973 1 45 TRP HB3 1 46 GLU HA . . 4.910 4.284 4.228 4.359 . 0 0 "[ . 1 . 2]" 1
974 1 46 GLU HA 1 46 GLU HG2 . . 3.410 2.402 2.370 2.504 . 0 0 "[ . 1 . 2]" 1
975 1 25 GLU HA 1 26 LEU MD1 . . 5.380 4.748 4.558 4.981 . 0 0 "[ . 1 . 2]" 1
976 1 25 GLU HA 1 26 LEU MD2 . . 5.500 4.256 3.948 4.514 . 0 0 "[ . 1 . 2]" 1
977 1 25 GLU HA 1 26 LEU H . . 2.880 2.419 2.201 2.559 . 0 0 "[ . 1 . 2]" 1
978 1 25 GLU HA 1 54 GLY HA3 . . 4.760 4.087 3.781 4.472 . 0 0 "[ . 1 . 2]" 1
979 1 25 GLU HA 1 25 GLU HG2 . . 3.760 2.764 2.372 3.557 . 0 0 "[ . 1 . 2]" 1
980 1 25 GLU HA 1 25 GLU HG3 . . 3.760 3.173 2.751 3.685 . 0 0 "[ . 1 . 2]" 1
981 1 25 GLU HA 1 26 LEU HG . . 4.080 3.432 3.234 3.634 . 0 0 "[ . 1 . 2]" 1
982 1 25 GLU HA 1 55 LEU HB2 . . 3.120 2.264 1.994 2.561 . 0 0 "[ . 1 . 2]" 1
983 1 12 ALA MB 1 36 LEU H . . 4.630 4.366 3.860 4.606 . 0 0 "[ . 1 . 2]" 1
984 1 12 ALA H 1 12 ALA MB . . 3.050 2.362 2.238 2.507 . 0 0 "[ . 1 . 2]" 1
985 1 12 ALA MB 1 13 ILE H . . 2.900 2.454 2.196 2.772 . 0 0 "[ . 1 . 2]" 1
986 1 12 ALA MB 1 64 GLN HE21 . . 5.500 5.189 4.754 5.444 . 0 0 "[ . 1 . 2]" 1
987 1 12 ALA MB 1 13 ILE HA . . 4.400 3.971 3.826 4.092 . 0 0 "[ . 1 . 2]" 1
988 1 11 GLU HA 1 12 ALA MB . . 4.110 3.994 3.923 4.059 . 0 0 "[ . 1 . 2]" 1
989 1 12 ALA MB 1 63 VAL HA . . 3.160 2.268 2.005 2.544 . 0 0 "[ . 1 . 2]" 1
990 1 12 ALA MB 1 63 VAL HB . . 4.960 4.728 4.578 4.958 . 0 0 "[ . 1 . 2]" 1
991 1 12 ALA MB 1 36 LEU MD1 . . 2.810 2.174 1.954 2.394 . 0 0 "[ . 1 . 2]" 1
992 1 35 LEU H 1 49 HIS HA . . 4.690 4.129 3.597 4.412 . 0 0 "[ . 1 . 2]" 1
993 1 49 HIS HA 1 49 HIS HD2 . . 4.110 3.131 2.774 4.024 . 0 0 "[ . 1 . 2]" 1
994 1 49 HIS HA 1 50 ASN HA . . 4.830 4.366 4.355 4.404 . 0 0 "[ . 1 . 2]" 1
995 1 29 LYS H 1 34 LEU MD2 . . 4.470 4.372 4.190 4.475 0.005 6 0 "[ . 1 . 2]" 1
996 1 34 LEU MD2 1 35 LEU H . . 4.110 3.811 3.626 3.980 . 0 0 "[ . 1 . 2]" 1
997 1 28 PHE QE 1 34 LEU MD2 . . 4.090 3.857 3.567 4.090 0.000 20 0 "[ . 1 . 2]" 1
998 1 34 LEU MD2 1 49 HIS HD2 . . 3.390 1.925 1.776 2.123 . 0 0 "[ . 1 . 2]" 1
999 1 28 PHE QD 1 34 LEU MD2 . . 3.620 2.677 2.399 2.902 . 0 0 "[ . 1 . 2]" 1
1000 1 34 LEU MD2 1 49 HIS HA . . 3.730 3.326 2.906 3.674 . 0 0 "[ . 1 . 2]" 1
1001 1 34 LEU MD2 1 49 HIS HB2 . . 3.040 2.476 2.089 2.770 . 0 0 "[ . 1 . 2]" 1
1002 1 28 PHE HB2 1 34 LEU MD2 . . 3.860 2.530 2.234 2.821 . 0 0 "[ . 1 . 2]" 1
1003 1 28 PHE HB3 1 34 LEU MD2 . . 3.770 2.169 1.945 2.436 . 0 0 "[ . 1 . 2]" 1
1004 1 34 LEU MD2 1 56 ILE HG13 . . 5.040 4.875 4.709 5.033 . 0 0 "[ . 1 . 2]" 1
1005 1 14 ALA MB 1 34 LEU MD2 . . 3.700 3.536 3.325 3.702 0.002 8 0 "[ . 1 . 2]" 1
1006 1 10 ILE H 1 36 LEU MD1 . . 5.400 4.537 4.398 4.710 . 0 0 "[ . 1 . 2]" 1
1007 1 36 LEU MD1 1 64 GLN H . . 5.500 4.251 3.917 4.470 . 0 0 "[ . 1 . 2]" 1
1008 1 36 LEU MD1 1 45 TRP HZ3 . . 4.260 2.961 2.754 3.159 . 0 0 "[ . 1 . 2]" 1
1009 1 10 ILE HB 1 36 LEU MD1 . . 3.880 2.827 2.702 3.024 . 0 0 "[ . 1 . 2]" 1
1010 1 36 LEU MD1 1 45 TRP HZ2 . . 4.660 3.957 3.724 4.272 . 0 0 "[ . 1 . 2]" 1
1011 1 36 LEU MD1 1 45 TRP HE3 . . 4.260 2.749 2.594 2.948 . 0 0 "[ . 1 . 2]" 1
1012 1 12 ALA HA 1 36 LEU MD1 . . 4.600 4.225 3.983 4.505 . 0 0 "[ . 1 . 2]" 1
1013 1 36 LEU HA 1 36 LEU MD1 . . 4.390 3.824 3.793 3.886 . 0 0 "[ . 1 . 2]" 1
1014 1 36 LEU HB2 1 36 LEU MD1 . . 3.270 2.459 2.388 2.502 . 0 0 "[ . 1 . 2]" 1
1015 1 36 LEU HB3 1 36 LEU MD1 . . 3.180 2.201 2.141 2.274 . 0 0 "[ . 1 . 2]" 1
1016 1 39 ARG HA 1 40 ALA H . . 2.830 2.183 2.149 2.212 . 0 0 "[ . 1 . 2]" 1
1017 1 39 ARG HA 1 45 TRP HB3 . . 4.610 3.999 3.863 4.201 . 0 0 "[ . 1 . 2]" 1
1018 1 39 ARG HA 1 39 ARG HG2 . . 4.190 3.808 3.738 3.845 . 0 0 "[ . 1 . 2]" 1
1019 1 39 ARG HA 1 39 ARG HG3 . . 3.770 2.776 2.643 2.848 . 0 0 "[ . 1 . 2]" 1
1020 1 64 GLN HA 1 65 ASP H . . 3.180 2.197 2.139 2.311 . 0 0 "[ . 1 . 2]" 1
1021 1 64 GLN HA 1 64 GLN HG3 . . 4.050 3.755 3.441 3.880 . 0 0 "[ . 1 . 2]" 1
1022 1 64 GLN HA 1 64 GLN HG2 . . 4.050 2.756 2.492 2.944 . 0 0 "[ . 1 . 2]" 1
1023 1 62 VAL MG1 1 64 GLN HA . . 4.380 3.661 3.459 3.821 . 0 0 "[ . 1 . 2]" 1
1024 1 39 ARG HA 1 45 TRP HE3 . . 3.840 3.152 2.989 3.379 . 0 0 "[ . 1 . 2]" 1
1025 1 39 ARG HA 1 45 TRP HZ3 . . 4.820 4.191 3.999 4.412 . 0 0 "[ . 1 . 2]" 1
1026 1 63 VAL HA 1 64 GLN HA . . 4.560 4.427 4.400 4.456 . 0 0 "[ . 1 . 2]" 1
1027 1 48 ARG HA 1 49 HIS HB3 . . 5.270 4.366 4.233 4.464 . 0 0 "[ . 1 . 2]" 1
1028 1 48 ARG HA 1 48 ARG HG2 . . 4.050 3.055 2.853 3.306 . 0 0 "[ . 1 . 2]" 1
1029 1 48 ARG HA 1 56 ILE MD . . 4.950 4.256 3.995 4.411 . 0 0 "[ . 1 . 2]" 1
1030 1 44 TRP HE3 1 55 LEU MD2 . . 5.080 3.691 3.302 4.093 . 0 0 "[ . 1 . 2]" 1
1031 1 55 LEU HA 1 55 LEU MD2 . . 4.220 2.018 1.969 2.200 . 0 0 "[ . 1 . 2]" 1
1032 1 44 TRP HB3 1 55 LEU MD2 . . 4.520 2.202 1.983 2.504 . 0 0 "[ . 1 . 2]" 1
1033 1 24 ARG HB3 1 55 LEU MD2 . . 4.810 4.522 4.182 4.785 . 0 0 "[ . 1 . 2]" 1
1034 1 55 LEU HB3 1 55 LEU MD2 . . 3.280 2.324 2.213 2.370 . 0 0 "[ . 1 . 2]" 1
1035 1 40 ALA MB 1 55 LEU MD2 . . 4.390 2.139 1.985 2.487 . 0 0 "[ . 1 . 2]" 1
1036 1 23 ALA HA 1 25 GLU H . . 4.660 4.617 4.449 4.663 0.003 17 0 "[ . 1 . 2]" 1
1037 1 26 LEU MD2 1 54 GLY H . . 3.990 2.999 2.616 3.338 . 0 0 "[ . 1 . 2]" 1
1038 1 26 LEU MD2 1 49 HIS H . . 3.780 3.566 3.284 3.784 0.004 17 0 "[ . 1 . 2]" 1
1039 1 26 LEU MD2 1 27 SER H . . 3.910 3.586 3.317 3.774 . 0 0 "[ . 1 . 2]" 1
1040 1 26 LEU HA 1 26 LEU MD2 . . 2.780 2.150 1.985 2.393 . 0 0 "[ . 1 . 2]" 1
1041 1 26 LEU MD2 1 54 GLY HA3 . . 3.360 2.014 1.920 2.205 . 0 0 "[ . 1 . 2]" 1
1042 1 26 LEU MD2 1 49 HIS HB3 . . 3.860 2.946 2.601 3.208 . 0 0 "[ . 1 . 2]" 1
1043 1 26 LEU MD2 1 52 ILE HB . . 3.260 2.587 2.244 3.055 . 0 0 "[ . 1 . 2]" 1
1044 1 26 LEU HB3 1 26 LEU MD2 . . 3.110 2.305 2.168 2.386 . 0 0 "[ . 1 . 2]" 1
1045 1 26 LEU MD2 1 48 ARG HA . . 4.440 4.055 3.714 4.312 . 0 0 "[ . 1 . 2]" 1
1046 1 55 LEU HA 1 56 ILE H . . 2.780 2.279 2.183 2.353 . 0 0 "[ . 1 . 2]" 1
1047 1 55 LEU HA 1 55 LEU MD1 . . 4.220 3.856 3.805 3.886 . 0 0 "[ . 1 . 2]" 1
1048 1 26 LEU HA 1 27 SER H . . 2.990 2.243 2.160 2.412 . 0 0 "[ . 1 . 2]" 1
1049 1 25 GLU HB2 1 26 LEU HA . . 5.280 4.849 4.431 5.171 . 0 0 "[ . 1 . 2]" 1
1050 1 45 TRP H 1 55 LEU HA . . 4.750 3.721 3.588 3.909 . 0 0 "[ . 1 . 2]" 1
1051 1 55 LEU HA 1 56 ILE HG13 . . 4.320 3.653 3.497 3.857 . 0 0 "[ . 1 . 2]" 1
1052 1 44 TRP HE3 1 55 LEU HA . . 4.740 4.452 4.083 4.727 . 0 0 "[ . 1 . 2]" 1
1053 1 16 PHE HA 1 60 TYR QD . . 4.940 4.518 4.298 4.718 . 0 0 "[ . 1 . 2]" 1
1054 1 16 PHE HA 1 30 LYS H . . 4.640 4.259 4.012 4.649 0.009 6 0 "[ . 1 . 2]" 1
1055 1 16 PHE HA 1 17 ASP H . . 2.800 2.225 2.172 2.299 . 0 0 "[ . 1 . 2]" 1
1056 1 16 PHE HA 1 16 PHE QE . . 4.920 4.801 4.586 4.919 . 0 0 "[ . 1 . 2]" 1
1057 1 16 PHE HA 1 16 PHE QD . . 3.310 2.851 2.526 3.050 . 0 0 "[ . 1 . 2]" 1
1058 1 15 LYS HA 1 16 PHE HA . . 4.820 4.556 4.543 4.583 . 0 0 "[ . 1 . 2]" 1
1059 1 16 PHE HA 1 16 PHE HB3 . . 2.990 2.351 2.319 2.440 . 0 0 "[ . 1 . 2]" 1
1060 1 16 PHE HA 1 30 LYS QB . . 3.100 2.250 1.990 2.593 . 0 0 "[ . 1 . 2]" 1
1061 1 16 PHE HA 1 30 LYS QG . . 3.570 2.919 2.317 3.265 . 0 0 "[ . 1 . 2]" 1
1062 1 36 LEU MD2 1 47 GLY H . . 4.750 4.094 3.842 4.420 . 0 0 "[ . 1 . 2]" 1
1063 1 36 LEU H 1 36 LEU MD2 . . 3.630 3.407 3.172 3.541 . 0 0 "[ . 1 . 2]" 1
1064 1 36 LEU MD2 1 45 TRP HE3 . . 4.080 3.027 2.811 3.336 . 0 0 "[ . 1 . 2]" 1
1065 1 36 LEU MD2 1 45 TRP HZ3 . . 5.500 4.565 4.344 4.863 . 0 0 "[ . 1 . 2]" 1
1066 1 35 LEU HA 1 36 LEU MD2 . . 4.250 3.996 3.663 4.192 . 0 0 "[ . 1 . 2]" 1
1067 1 36 LEU HA 1 36 LEU MD2 . . 2.880 2.151 2.048 2.264 . 0 0 "[ . 1 . 2]" 1
1068 1 36 LEU MD2 1 47 GLY HA3 . . 3.640 2.962 2.830 3.128 . 0 0 "[ . 1 . 2]" 1
1069 1 36 LEU MD2 1 47 GLY HA2 . . 4.500 4.154 3.999 4.328 . 0 0 "[ . 1 . 2]" 1
1070 1 36 LEU MD2 1 45 TRP HB3 . . 3.350 2.389 2.287 2.647 . 0 0 "[ . 1 . 2]" 1
1071 1 36 LEU MD2 1 45 TRP HB2 . . 3.390 3.174 3.040 3.397 0.007 14 0 "[ . 1 . 2]" 1
1072 1 36 LEU MD2 1 56 ILE HB . . 3.590 3.051 2.813 3.276 . 0 0 "[ . 1 . 2]" 1
1073 1 36 LEU HB2 1 36 LEU MD2 . . 3.510 3.187 3.183 3.192 . 0 0 "[ . 1 . 2]" 1
1074 1 36 LEU HB3 1 36 LEU MD2 . . 2.900 2.387 2.288 2.452 . 0 0 "[ . 1 . 2]" 1
1075 1 14 ALA MB 1 15 LYS H . . 3.640 3.213 3.138 3.298 . 0 0 "[ . 1 . 2]" 1
1076 1 14 ALA MB 1 28 PHE QE . . 3.260 2.648 2.365 2.951 . 0 0 "[ . 1 . 2]" 1
1077 1 63 VAL MG1 1 64 GLN H . . 4.380 3.044 2.733 3.386 . 0 0 "[ . 1 . 2]" 1
1078 1 45 TRP HZ2 1 63 VAL MG1 . . 4.370 3.178 2.585 3.585 . 0 0 "[ . 1 . 2]" 1
1079 1 45 TRP HH2 1 63 VAL MG1 . . 4.640 2.777 2.300 3.350 . 0 0 "[ . 1 . 2]" 1
1080 1 12 ALA HA 1 63 VAL MG1 . . 4.980 4.767 4.573 4.875 . 0 0 "[ . 1 . 2]" 1
1081 1 63 VAL HA 1 63 VAL MG1 . . 3.070 2.395 2.315 2.467 . 0 0 "[ . 1 . 2]" 1
1082 1 36 LEU MD1 1 63 VAL MG1 . . 3.400 2.644 2.205 3.123 . 0 0 "[ . 1 . 2]" 1
1083 1 28 PHE QD 1 29 LYS HA . . 4.810 3.722 3.391 4.387 . 0 0 "[ . 1 . 2]" 1
1084 1 29 LYS HA 1 30 LYS HA . . 4.490 4.307 4.297 4.328 . 0 0 "[ . 1 . 2]" 1
1085 1 17 ASP HB2 1 29 LYS HA . . 4.210 3.158 2.690 4.084 . 0 0 "[ . 1 . 2]" 1
1086 1 29 LYS HA 1 29 LYS HD2 . . 4.150 3.272 2.126 4.169 0.019 17 0 "[ . 1 . 2]" 1
1087 1 29 LYS HA 1 29 LYS HG2 . . 4.060 3.105 2.668 3.627 . 0 0 "[ . 1 . 2]" 1
1088 1 14 ALA MB 1 32 ALA H . . 3.180 2.707 2.215 2.955 . 0 0 "[ . 1 . 2]" 1
1089 1 14 ALA MB 1 28 PHE QD . . 3.030 2.147 1.961 2.411 . 0 0 "[ . 1 . 2]" 1
1090 1 14 ALA MB 1 61 ILE HA . . 4.210 4.114 3.964 4.171 . 0 0 "[ . 1 . 2]" 1
1091 1 14 ALA MB 1 29 LYS HA . . 4.740 4.270 4.033 4.581 . 0 0 "[ . 1 . 2]" 1
1092 1 14 ALA MB 1 28 PHE HB2 . . 4.310 3.176 2.987 3.349 . 0 0 "[ . 1 . 2]" 1
1093 1 45 TRP HZ2 1 63 VAL MG2 . . 4.370 2.255 2.002 2.532 . 0 0 "[ . 1 . 2]" 1
1094 1 12 ALA HA 1 63 VAL MG2 . . 4.980 4.778 4.561 4.925 . 0 0 "[ . 1 . 2]" 1
1095 1 52 ILE HA 1 53 ASP HA . . 5.010 4.394 4.380 4.401 . 0 0 "[ . 1 . 2]" 1
1096 1 37 TYR QE 1 53 ASP HA . . 4.610 4.426 4.020 4.578 . 0 0 "[ . 1 . 2]" 1
1097 1 48 ARG HA 1 53 ASP HA . . 3.000 2.318 2.079 2.450 . 0 0 "[ . 1 . 2]" 1
1098 1 48 ARG HB2 1 53 ASP HA . . 3.920 3.442 3.100 3.618 . 0 0 "[ . 1 . 2]" 1
1099 1 26 LEU MD1 1 53 ASP HA . . 3.960 3.209 2.905 3.462 . 0 0 "[ . 1 . 2]" 1
1100 1 26 LEU MD2 1 53 ASP HA . . 4.370 3.509 3.160 3.775 . 0 0 "[ . 1 . 2]" 1
1101 1 36 LEU HA 1 45 TRP HE3 . . 5.040 4.042 3.874 4.341 . 0 0 "[ . 1 . 2]" 1
1102 1 36 LEU HA 1 45 TRP HB3 . . 4.620 4.292 4.204 4.394 . 0 0 "[ . 1 . 2]" 1
1103 1 21 ARG HA 1 22 THR MG . . 4.690 4.303 3.999 4.558 . 0 0 "[ . 1 . 2]" 1
1104 1 21 ARG QB 1 22 THR MG . . 3.330 2.671 2.532 2.864 . 0 0 "[ . 1 . 2]" 1
1105 1 63 VAL MG2 1 64 GLN H . . 4.380 4.146 4.068 4.198 . 0 0 "[ . 1 . 2]" 1
1106 1 45 TRP HH2 1 63 VAL MG2 . . 4.640 3.210 2.871 3.506 . 0 0 "[ . 1 . 2]" 1
1107 1 36 LEU MD1 1 63 VAL MG2 . . 3.400 2.069 1.829 2.419 . 0 0 "[ . 1 . 2]" 1
1108 1 50 ASN HA 1 51 GLY HA2 . . 4.870 4.734 4.687 4.768 . 0 0 "[ . 1 . 2]" 1
1109 1 35 LEU HA 1 36 LEU H . . 2.660 2.195 2.144 2.236 . 0 0 "[ . 1 . 2]" 1
1110 1 12 ALA H 1 35 LEU HA . . 4.050 3.267 3.016 3.393 . 0 0 "[ . 1 . 2]" 1
1111 1 11 GLU HA 1 35 LEU HA . . 3.270 2.771 2.659 2.875 . 0 0 "[ . 1 . 2]" 1
1112 1 35 LEU HA 1 35 LEU HG . . 3.800 2.666 2.496 2.801 . 0 0 "[ . 1 . 2]" 1
1113 1 35 LEU HA 1 36 LEU HG . . 4.070 3.742 3.636 3.863 . 0 0 "[ . 1 . 2]" 1
1114 1 15 LYS H 1 62 VAL MG2 . . 4.490 4.053 3.689 4.247 . 0 0 "[ . 1 . 2]" 1
1115 1 13 ILE H 1 62 VAL MG2 . . 4.880 4.286 3.921 4.631 . 0 0 "[ . 1 . 2]" 1
1116 1 61 ILE H 1 62 VAL MG2 . . 5.150 4.117 3.974 4.275 . 0 0 "[ . 1 . 2]" 1
1117 1 62 VAL MG2 1 64 GLN HE21 . . 5.500 4.266 3.719 5.078 . 0 0 "[ . 1 . 2]" 1
1118 1 61 ILE HA 1 62 VAL MG2 . . 4.160 3.496 3.292 3.588 . 0 0 "[ . 1 . 2]" 1
1119 1 14 ALA HA 1 62 VAL MG2 . . 5.200 5.035 4.598 5.205 0.005 19 0 "[ . 1 . 2]" 1
1120 1 62 VAL HA 1 62 VAL MG2 . . 3.060 2.331 2.270 2.446 . 0 0 "[ . 1 . 2]" 1
1121 1 15 LYS QE 1 62 VAL MG2 . . 3.850 3.253 1.955 3.832 . 0 0 "[ . 1 . 2]" 1
1122 1 19 VAL MG1 1 28 PHE H . . 5.500 5.483 5.427 5.510 0.010 17 0 "[ . 1 . 2]" 1
1123 1 19 VAL MG2 1 28 PHE H . . 5.500 4.941 4.801 5.215 . 0 0 "[ . 1 . 2]" 1
1124 1 32 ALA HA 1 33 SER H . . 2.530 2.176 2.144 2.241 . 0 0 "[ . 1 . 2]" 1
1125 1 28 PHE QD 1 32 ALA MB . . 4.140 3.657 3.456 3.928 . 0 0 "[ . 1 . 2]" 1
1126 1 32 ALA MB 1 34 LEU MD1 . . 4.270 3.617 3.328 3.853 . 0 0 "[ . 1 . 2]" 1
1127 1 62 VAL MG1 1 63 VAL H . . 3.360 2.986 2.559 3.287 . 0 0 "[ . 1 . 2]" 1
1128 1 62 VAL MG1 1 64 GLN H . . 4.310 4.058 3.856 4.305 . 0 0 "[ . 1 . 2]" 1
1129 1 13 ILE H 1 62 VAL MG1 . . 4.680 4.266 3.885 4.559 . 0 0 "[ . 1 . 2]" 1
1130 1 62 VAL MG1 1 64 GLN HE21 . . 4.410 2.613 1.981 3.758 . 0 0 "[ . 1 . 2]" 1
1131 1 62 VAL MG1 1 64 GLN HE22 . . 4.290 3.300 2.428 4.273 . 0 0 "[ . 1 . 2]" 1
1132 1 62 VAL HA 1 62 VAL MG1 . . 2.990 2.388 2.247 2.468 . 0 0 "[ . 1 . 2]" 1
1133 1 19 VAL MG1 1 21 ARG HA . . 5.500 3.841 3.659 4.085 . 0 0 "[ . 1 . 2]" 1
1134 1 19 VAL MG2 1 21 ARG HA . . 5.500 3.874 3.739 4.072 . 0 0 "[ . 1 . 2]" 1
1135 1 31 GLY H 1 32 ALA MB . . 4.900 4.328 4.140 4.478 . 0 0 "[ . 1 . 2]" 1
1136 1 29 LYS H 1 32 ALA MB . . 3.160 2.312 2.197 2.539 . 0 0 "[ . 1 . 2]" 1
1137 1 32 ALA MB 1 49 HIS HD2 . . 4.030 3.693 3.392 3.999 . 0 0 "[ . 1 . 2]" 1
1138 1 28 PHE HB2 1 32 ALA MB . . 3.240 2.458 2.245 2.773 . 0 0 "[ . 1 . 2]" 1
1139 1 32 ALA MB 1 34 LEU MD2 . . 3.560 2.987 2.701 3.183 . 0 0 "[ . 1 . 2]" 1
1140 1 14 ALA HA 1 15 LYS H . . 2.610 2.142 2.140 2.146 . 0 0 "[ . 1 . 2]" 1
1141 1 14 ALA HA 1 61 ILE HA . . 2.930 2.489 2.288 2.589 . 0 0 "[ . 1 . 2]" 1
1142 1 14 ALA HA 1 15 LYS HA . . 4.440 4.385 4.376 4.403 . 0 0 "[ . 1 . 2]" 1
1143 1 14 ALA HA 1 61 ILE HB . . 4.210 3.689 3.533 3.885 . 0 0 "[ . 1 . 2]" 1
1144 1 14 ALA HA 1 15 LYS HB3 . . 5.500 5.415 4.993 5.613 0.113 19 0 "[ . 1 . 2]" 1
1145 1 14 ALA HA 1 34 LEU HB2 . . 5.500 5.317 5.046 5.462 . 0 0 "[ . 1 . 2]" 1
1146 1 14 ALA HA 1 15 LYS HB2 . . 4.400 4.263 4.241 4.297 . 0 0 "[ . 1 . 2]" 1
1147 1 13 ILE MG 1 14 ALA HA . . 4.420 4.059 3.877 4.212 . 0 0 "[ . 1 . 2]" 1
1148 1 14 ALA HA 1 34 LEU MD1 . . 3.600 2.736 2.503 2.915 . 0 0 "[ . 1 . 2]" 1
1149 1 40 ALA H 1 40 ALA MB . . 2.900 2.094 2.025 2.322 . 0 0 "[ . 1 . 2]" 1
1150 1 40 ALA MB 1 45 TRP HA . . 3.850 2.969 2.722 3.466 . 0 0 "[ . 1 . 2]" 1
1151 1 40 ALA MB 1 41 SER HB2 . . 4.970 3.297 3.094 3.842 . 0 0 "[ . 1 . 2]" 1
1152 1 39 ARG HA 1 40 ALA MB . . 4.180 3.962 3.918 4.012 . 0 0 "[ . 1 . 2]" 1
1153 1 40 ALA MB 1 44 TRP HB3 . . 3.620 2.726 2.261 3.308 . 0 0 "[ . 1 . 2]" 1
1154 1 40 ALA MB 1 44 TRP HB2 . . 3.340 2.814 2.446 3.335 . 0 0 "[ . 1 . 2]" 1
1155 1 40 ALA MB 1 46 GLU HG3 . . 3.510 1.994 1.907 2.156 . 0 0 "[ . 1 . 2]" 1
1156 1 40 ALA MB 1 46 GLU HG2 . . 3.510 2.114 1.942 2.412 . 0 0 "[ . 1 . 2]" 1
1157 1 40 ALA MB 1 46 GLU HB2 . . 4.250 3.864 3.709 4.074 . 0 0 "[ . 1 . 2]" 1
1158 1 40 ALA MB 1 46 GLU H . . 4.200 3.696 3.379 4.127 . 0 0 "[ . 1 . 2]" 1
1159 1 40 ALA MB 1 44 TRP H . . 5.030 4.607 4.297 5.010 . 0 0 "[ . 1 . 2]" 1
1160 1 40 ALA MB 1 44 TRP HA . . 5.400 4.478 4.055 5.077 . 0 0 "[ . 1 . 2]" 1
1161 1 40 ALA MB 1 55 LEU HA . . 5.500 4.183 3.953 4.845 . 0 0 "[ . 1 . 2]" 1
1162 1 40 ALA MB 1 55 LEU MD1 . . 4.390 3.634 3.334 3.885 . 0 0 "[ . 1 . 2]" 1
1163 1 28 PHE QE 1 57 PRO HD3 . . 4.000 3.293 3.135 3.592 . 0 0 "[ . 1 . 2]" 1
1164 1 44 TRP HH2 1 57 PRO HD3 . . 4.850 4.443 4.158 4.589 . 0 0 "[ . 1 . 2]" 1
1165 1 44 TRP HZ3 1 57 PRO HD3 . . 3.330 2.408 2.270 2.500 . 0 0 "[ . 1 . 2]" 1
1166 1 56 ILE MG 1 57 PRO HD3 . . 3.680 3.325 3.292 3.430 . 0 0 "[ . 1 . 2]" 1
1167 1 28 PHE QE 1 57 PRO HD2 . . 3.490 2.132 1.997 2.396 . 0 0 "[ . 1 . 2]" 1
1168 1 28 PHE HZ 1 57 PRO HD2 . . 3.130 2.498 2.190 2.670 . 0 0 "[ . 1 . 2]" 1
1169 1 56 ILE HA 1 57 PRO HD2 . . 2.990 2.061 2.026 2.097 . 0 0 "[ . 1 . 2]" 1
1170 1 57 PRO HD2 1 60 TYR HB2 . . 4.180 4.083 4.001 4.188 0.008 12 0 "[ . 1 . 2]" 1
1171 1 56 ILE HB 1 57 PRO HD2 . . 4.820 4.179 4.077 4.230 . 0 0 "[ . 1 . 2]" 1
1172 1 56 ILE HG12 1 57 PRO HD2 . . 4.920 3.564 3.271 3.745 . 0 0 "[ . 1 . 2]" 1
1173 1 23 ALA MB 1 25 GLU H . . 4.870 4.707 4.638 4.818 . 0 0 "[ . 1 . 2]" 1
1174 1 22 THR HB 1 23 ALA MB . . 4.380 3.745 3.588 3.893 . 0 0 "[ . 1 . 2]" 1
1175 1 15 LYS H 1 61 ILE MG . . 4.120 3.044 2.772 3.371 . 0 0 "[ . 1 . 2]" 1
1176 1 61 ILE MG 1 62 VAL H . . 3.810 3.798 3.770 3.818 0.008 2 0 "[ . 1 . 2]" 1
1177 1 58 HIS H 1 61 ILE MG . . 5.500 5.325 5.127 5.480 . 0 0 "[ . 1 . 2]" 1
1178 1 28 PHE QE 1 61 ILE MG . . 4.080 2.915 2.502 3.090 . 0 0 "[ . 1 . 2]" 1
1179 1 28 PHE HZ 1 61 ILE MG . . 3.820 2.591 2.375 2.730 . 0 0 "[ . 1 . 2]" 1
1180 1 61 ILE HA 1 61 ILE MG . . 3.020 2.358 2.310 2.422 . 0 0 "[ . 1 . 2]" 1
1181 1 14 ALA HA 1 61 ILE MG . . 3.220 2.115 1.978 2.280 . 0 0 "[ . 1 . 2]" 1
1182 1 58 HIS HA 1 61 ILE MG . . 4.390 4.109 3.966 4.261 . 0 0 "[ . 1 . 2]" 1
1183 1 60 TYR HB3 1 61 ILE MG . . 4.230 3.585 3.372 3.696 . 0 0 "[ . 1 . 2]" 1
1184 1 60 TYR HB2 1 61 ILE MG . . 3.970 2.993 2.887 3.057 . 0 0 "[ . 1 . 2]" 1
1185 1 14 ALA MB 1 61 ILE MG . . 3.780 3.120 2.878 3.293 . 0 0 "[ . 1 . 2]" 1
1186 1 36 LEU MD1 1 61 ILE MG . . 4.680 4.572 4.412 4.685 0.005 12 0 "[ . 1 . 2]" 1
1187 1 8 GLU HA 1 9 PRO HD2 . . 2.870 2.396 2.353 2.473 . 0 0 "[ . 1 . 2]" 1
1188 1 8 GLU HG2 1 9 PRO HD2 . . 4.870 4.063 2.632 4.680 . 0 0 "[ . 1 . 2]" 1
1189 1 8 GLU HB3 1 9 PRO HD2 . . 3.720 2.766 2.001 3.528 . 0 0 "[ . 1 . 2]" 1
1190 1 10 ILE MG 1 11 GLU H . . 3.070 2.741 2.604 2.890 . 0 0 "[ . 1 . 2]" 1
1191 1 10 ILE HA 1 10 ILE MG . . 3.120 2.326 2.226 2.422 . 0 0 "[ . 1 . 2]" 1
1192 1 10 ILE MG 1 36 LEU HB2 . . 3.990 3.537 3.447 3.658 . 0 0 "[ . 1 . 2]" 1
1193 1 10 ILE MG 1 36 LEU MD1 . . 3.190 2.836 2.642 3.093 . 0 0 "[ . 1 . 2]" 1
1194 1 12 ALA HA 1 13 ILE H . . 2.790 2.431 2.276 2.548 . 0 0 "[ . 1 . 2]" 1
1195 1 12 ALA HA 1 64 GLN HG2 . . 4.300 3.159 2.440 4.282 . 0 0 "[ . 1 . 2]" 1
1196 1 11 GLU HB3 1 12 ALA HA . . 4.890 4.499 4.379 4.562 . 0 0 "[ . 1 . 2]" 1
1197 1 12 ALA HA 1 64 GLN HB2 . . 4.730 3.802 3.106 4.465 . 0 0 "[ . 1 . 2]" 1
1198 1 12 ALA HA 1 13 ILE HG12 . . 4.130 3.447 3.228 3.674 . 0 0 "[ . 1 . 2]" 1
1199 1 10 ILE MG 1 12 ALA HA . . 4.110 4.013 3.873 4.115 0.005 10 0 "[ . 1 . 2]" 1
1200 1 56 ILE H 1 56 ILE MG . . 4.270 3.855 3.801 3.900 . 0 0 "[ . 1 . 2]" 1
1201 1 44 TRP HE3 1 56 ILE MG . . 5.140 4.747 4.582 4.893 . 0 0 "[ . 1 . 2]" 1
1202 1 28 PHE QE 1 56 ILE MG . . 3.360 2.685 2.192 3.079 . 0 0 "[ . 1 . 2]" 1
1203 1 45 TRP HD1 1 56 ILE MG . . 4.230 4.038 3.613 4.230 . 0 0 "[ . 1 . 2]" 1
1204 1 28 PHE HZ 1 56 ILE MG . . 3.340 3.108 2.649 3.336 . 0 0 "[ . 1 . 2]" 1
1205 1 56 ILE HA 1 56 ILE MG . . 3.140 2.434 2.392 2.481 . 0 0 "[ . 1 . 2]" 1
1206 1 56 ILE MG 1 58 HIS HA . . 4.430 4.121 3.913 4.216 . 0 0 "[ . 1 . 2]" 1
1207 1 56 ILE MG 1 57 PRO HD2 . . 3.140 1.981 1.951 2.123 . 0 0 "[ . 1 . 2]" 1
1208 1 45 TRP HB2 1 56 ILE MG . . 3.930 3.014 2.563 3.272 . 0 0 "[ . 1 . 2]" 1
1209 1 56 ILE MG 1 60 TYR HB2 . . 4.700 4.411 4.301 4.566 . 0 0 "[ . 1 . 2]" 1
1210 1 56 ILE HG13 1 56 ILE MG . . 3.530 3.155 3.136 3.173 . 0 0 "[ . 1 . 2]" 1
1211 1 36 LEU MD1 1 56 ILE MG . . 4.480 3.835 3.558 4.033 . 0 0 "[ . 1 . 2]" 1
1212 1 52 ILE H 1 52 ILE MG . . 3.970 3.899 3.799 3.941 . 0 0 "[ . 1 . 2]" 1
1213 1 52 ILE MG 1 53 ASP HA . . 4.650 4.012 3.883 4.240 . 0 0 "[ . 1 . 2]" 1
1214 1 52 ILE HA 1 52 ILE MG . . 2.890 2.352 2.239 2.458 . 0 0 "[ . 1 . 2]" 1
1215 1 13 ILE MG 1 14 ALA H . . 3.180 2.310 1.912 2.539 . 0 0 "[ . 1 . 2]" 1
1216 1 13 ILE H 1 13 ILE MG . . 4.010 3.863 3.807 3.931 . 0 0 "[ . 1 . 2]" 1
1217 1 13 ILE HA 1 13 ILE MG . . 3.180 2.344 2.252 2.440 . 0 0 "[ . 1 . 2]" 1
1218 1 13 ILE MG 1 15 LYS HA . . 4.610 4.017 3.682 4.293 . 0 0 "[ . 1 . 2]" 1
1219 1 13 ILE MG 1 31 GLY HA2 . . 3.140 2.433 2.249 2.617 . 0 0 "[ . 1 . 2]" 1
1220 1 13 ILE MG 1 62 VAL HB . . 4.490 4.355 4.169 4.495 0.005 10 0 "[ . 1 . 2]" 1
1221 1 34 LEU MD2 1 56 ILE MD . . 3.550 3.108 2.840 3.417 . 0 0 "[ . 1 . 2]" 1
1222 1 34 LEU HB3 1 56 ILE MD . . 3.130 2.644 2.402 2.827 . 0 0 "[ . 1 . 2]" 1
1223 1 34 LEU HG 1 56 ILE MD . . 5.500 4.983 4.818 5.255 . 0 0 "[ . 1 . 2]" 1
1224 1 35 LEU HB3 1 56 ILE MD . . 5.500 5.146 4.965 5.475 . 0 0 "[ . 1 . 2]" 1
1225 1 37 TYR QE 1 47 GLY HA2 . . 4.740 3.320 3.134 3.563 . 0 0 "[ . 1 . 2]" 1
1226 1 61 ILE MD 1 63 VAL MG2 . . 4.400 2.007 1.758 2.264 . 0 0 "[ . 1 . 2]" 1
1227 1 56 ILE MG 1 61 ILE MD . . 3.260 3.243 3.055 3.274 0.014 10 0 "[ . 1 . 2]" 1
1228 1 57 PRO HB2 1 59 GLN QG . . 5.010 4.441 4.027 4.814 . 0 0 "[ . 1 . 2]" 1
1229 1 58 HIS HB3 1 58 HIS HD2 . . 3.840 2.882 2.818 2.959 . 0 0 "[ . 1 . 2]" 1
1230 1 58 HIS HD2 1 59 GLN QG . . 4.680 3.999 3.708 4.561 . 0 0 "[ . 1 . 2]" 1
1231 1 26 LEU MD1 1 56 ILE MD . . 3.030 2.412 2.139 2.654 . 0 0 "[ . 1 . 2]" 1
1232 1 9 PRO HB2 1 35 LEU MD2 . . 3.730 2.669 2.105 3.123 . 0 0 "[ . 1 . 2]" 1
1233 1 35 LEU HB2 1 35 LEU MD2 . . 3.520 2.520 2.449 2.662 . 0 0 "[ . 1 . 2]" 1
1234 1 12 ALA MB 1 61 ILE HB . . 2.950 2.718 2.482 2.896 . 0 0 "[ . 1 . 2]" 1
1235 1 12 ALA MB 1 61 ILE MG . . 3.750 3.651 3.449 3.750 0.000 13 0 "[ . 1 . 2]" 1
1236 1 12 ALA MB 1 61 ILE MD . . 3.010 2.635 2.370 2.810 . 0 0 "[ . 1 . 2]" 1
1237 1 12 ALA MB 1 36 LEU MD2 . . 3.230 2.880 2.529 3.217 . 0 0 "[ . 1 . 2]" 1
1238 1 12 ALA MB 1 34 LEU MD1 . . 3.550 3.375 3.133 3.540 . 0 0 "[ . 1 . 2]" 1
1239 1 34 LEU HB3 1 34 LEU MD2 . . 3.010 2.182 2.014 2.275 . 0 0 "[ . 1 . 2]" 1
1240 1 34 LEU MD2 1 56 ILE HG12 . . 3.810 3.568 3.364 3.740 . 0 0 "[ . 1 . 2]" 1
1241 1 34 LEU MD2 1 56 ILE MG . . 4.020 3.638 3.239 3.858 . 0 0 "[ . 1 . 2]" 1
1242 1 36 LEU MD2 1 56 ILE MD . . 2.710 2.099 1.884 2.271 . 0 0 "[ . 1 . 2]" 1
1243 1 36 LEU MD2 1 61 ILE MG . . 4.060 3.921 3.755 4.036 . 0 0 "[ . 1 . 2]" 1
1244 1 61 ILE HG12 1 61 ILE MG . . 3.110 2.195 2.082 2.227 . 0 0 "[ . 1 . 2]" 1
1245 1 56 ILE MG 1 61 ILE MG . . 2.770 1.971 1.838 2.227 . 0 0 "[ . 1 . 2]" 1
1246 1 61 ILE MD 1 61 ILE MG . . 3.270 3.141 3.124 3.168 . 0 0 "[ . 1 . 2]" 1
1247 1 34 LEU MD1 1 61 ILE MG . . 2.910 2.118 1.947 2.349 . 0 0 "[ . 1 . 2]" 1
1248 1 56 ILE MG 1 57 PRO HG2 . . 4.270 3.123 3.087 3.239 . 0 0 "[ . 1 . 2]" 1
1249 1 56 ILE MG 1 61 ILE HG12 . . 3.410 2.271 2.145 2.395 . 0 0 "[ . 1 . 2]" 1
1250 1 56 ILE HG12 1 56 ILE MG . . 2.870 2.116 2.053 2.231 . 0 0 "[ . 1 . 2]" 1
1251 1 36 LEU MD2 1 56 ILE MG . . 3.150 2.739 2.589 2.912 . 0 0 "[ . 1 . 2]" 1
1252 1 34 LEU MD1 1 56 ILE MG . . 3.050 2.537 2.409 2.753 . 0 0 "[ . 1 . 2]" 1
1253 1 52 ILE HG12 1 52 ILE MG . . 3.450 2.469 2.006 3.199 . 0 0 "[ . 1 . 2]" 1
1254 1 13 ILE MG 1 14 ALA MB . . 3.830 3.381 3.255 3.520 . 0 0 "[ . 1 . 2]" 1
1255 1 13 ILE HG13 1 13 ILE MG . . 3.290 2.316 2.188 2.384 . 0 0 "[ . 1 . 2]" 1
1256 1 13 ILE HG12 1 13 ILE MG . . 3.250 3.192 3.183 3.202 . 0 0 "[ . 1 . 2]" 1
1257 1 44 TRP HZ2 1 57 PRO HB3 . . 5.500 5.315 5.046 5.436 . 0 0 "[ . 1 . 2]" 1
1258 1 10 ILE H 1 10 ILE MD . . 3.940 3.694 3.455 3.837 . 0 0 "[ . 1 . 2]" 1
1259 1 13 ILE HB 1 13 ILE MD . . 3.620 3.223 3.217 3.231 . 0 0 "[ . 1 . 2]" 1
1260 1 13 ILE MD 1 14 ALA MB . . 4.980 4.715 4.564 4.857 . 0 0 "[ . 1 . 2]" 1
1261 1 13 ILE MD 1 31 GLY HA2 . . 4.170 4.100 3.916 4.175 0.005 11 0 "[ . 1 . 2]" 1
1262 1 13 ILE MD 1 33 SER HB3 . . 4.820 4.531 3.990 4.819 . 0 0 "[ . 1 . 2]" 1
1263 1 13 ILE HA 1 13 ILE MD . . 3.310 2.095 1.963 2.202 . 0 0 "[ . 1 . 2]" 1
1264 1 32 ALA MB 1 49 HIS HE1 . . 5.280 5.147 4.604 5.283 0.003 17 0 "[ . 1 . 2]" 1
1265 1 49 HIS HE1 1 50 ASN HB2 . . 4.990 3.712 2.328 4.628 . 0 0 "[ . 1 . 2]" 1
1266 1 28 PHE HB3 1 49 HIS HE1 . . 5.160 4.039 3.524 4.786 . 0 0 "[ . 1 . 2]" 1
1267 1 45 TRP HZ2 1 58 HIS HE1 . . 3.520 3.299 3.277 3.316 . 0 0 "[ . 1 . 2]" 1
1268 1 58 HIS HE1 1 63 VAL MG2 . . 4.690 2.660 2.261 3.115 . 0 0 "[ . 1 . 2]" 1
1269 1 28 PHE QD 1 56 ILE MG . . 5.500 3.987 3.641 4.437 . 0 0 "[ . 1 . 2]" 1
1270 1 28 PHE QD 1 56 ILE MD . . 5.500 4.527 4.288 4.828 . 0 0 "[ . 1 . 2]" 1
1271 1 27 SER HA 1 28 PHE QD . . 5.260 3.912 3.679 4.088 . 0 0 "[ . 1 . 2]" 1
1272 1 15 LYS HB2 1 16 PHE QD . . 4.490 3.555 3.097 4.498 0.008 2 0 "[ . 1 . 2]" 1
1273 1 37 TYR QD 1 48 ARG HB2 . . 5.060 4.228 4.073 4.321 . 0 0 "[ . 1 . 2]" 1
1274 1 15 LYS QE 1 16 PHE HZ . . 4.640 3.039 1.964 4.327 . 0 0 "[ . 1 . 2]" 1
1275 1 15 LYS QD 1 16 PHE HZ . . 4.870 3.435 2.615 4.761 . 0 0 "[ . 1 . 2]" 1
1276 1 14 ALA MB 1 28 PHE HZ . . 5.030 4.428 4.179 4.687 . 0 0 "[ . 1 . 2]" 1
1277 1 28 PHE HZ 1 57 PRO HD3 . . 4.510 3.802 3.605 3.959 . 0 0 "[ . 1 . 2]" 1
1278 1 44 TRP HB2 1 44 TRP HD1 . . 3.850 2.555 2.548 2.573 . 0 0 "[ . 1 . 2]" 1
1279 1 25 GLU HG3 1 44 TRP HH2 . . 5.090 3.686 2.596 4.503 . 0 0 "[ . 1 . 2]" 1
1280 1 44 TRP HH2 1 57 PRO HG3 . . 4.970 4.902 4.644 4.974 0.004 6 0 "[ . 1 . 2]" 1
1281 1 36 LEU MD1 1 45 TRP HH2 . . 4.750 3.599 3.365 3.890 . 0 0 "[ . 1 . 2]" 1
1282 1 39 ARG HB2 1 45 TRP HH2 . . 4.930 3.626 3.386 3.815 . 0 0 "[ . 1 . 2]" 1
1283 1 44 TRP HA 1 44 TRP HZ3 . . 4.810 4.598 4.502 4.785 . 0 0 "[ . 1 . 2]" 1
1284 1 44 TRP HZ3 1 57 PRO HA . . 4.600 3.547 3.187 3.946 . 0 0 "[ . 1 . 2]" 1
1285 1 44 TRP HZ3 1 57 PRO HD2 . . 4.970 4.097 3.970 4.205 . 0 0 "[ . 1 . 2]" 1
1286 1 44 TRP HB3 1 44 TRP HZ3 . . 5.500 5.208 5.122 5.255 . 0 0 "[ . 1 . 2]" 1
1287 1 25 GLU HG3 1 44 TRP HZ3 . . 4.660 3.974 3.033 4.663 0.003 12 0 "[ . 1 . 2]" 1
1288 1 44 TRP HZ3 1 55 LEU HB2 . . 4.600 4.225 3.827 4.573 . 0 0 "[ . 1 . 2]" 1
1289 1 44 TRP HZ3 1 55 LEU HB3 . . 3.980 3.719 3.465 3.984 0.004 6 0 "[ . 1 . 2]" 1
1290 1 44 TRP HZ3 1 57 PRO HG3 . . 4.590 3.815 3.585 3.951 . 0 0 "[ . 1 . 2]" 1
1291 1 36 LEU HB3 1 45 TRP HE3 . . 3.630 2.322 2.205 2.496 . 0 0 "[ . 1 . 2]" 1
1292 1 45 TRP HB3 1 45 TRP HE3 . . 3.500 2.505 2.490 2.522 . 0 0 "[ . 1 . 2]" 1
1293 1 44 TRP HE3 1 55 LEU HB3 . . 3.660 2.573 2.252 2.843 . 0 0 "[ . 1 . 2]" 1
1294 1 44 TRP HE3 1 55 LEU HB2 . . 4.530 4.016 3.655 4.341 . 0 0 "[ . 1 . 2]" 1
1295 1 57 PRO HG3 1 60 TYR QE . . 4.900 4.788 4.610 4.902 0.002 2 0 "[ . 1 . 2]" 1
1296 1 57 PRO HB3 1 60 TYR QE . . 4.710 4.504 4.324 4.685 . 0 0 "[ . 1 . 2]" 1
1297 1 57 PRO HG2 1 60 TYR QE . . 5.340 5.169 4.998 5.343 0.003 12 0 "[ . 1 . 2]" 1
1298 1 57 PRO HB2 1 60 TYR QE . . 4.110 3.954 3.771 4.108 . 0 0 "[ . 1 . 2]" 1
1299 1 59 GLN HB2 1 60 TYR QE . . 4.420 2.779 2.487 3.122 . 0 0 "[ . 1 . 2]" 1
1300 1 18 TYR HB2 1 60 TYR QE . . 4.390 4.245 4.111 4.395 0.005 12 0 "[ . 1 . 2]" 1
1301 1 59 GLN QG 1 60 TYR QE . . 4.770 4.034 3.749 4.433 . 0 0 "[ . 1 . 2]" 1
1302 1 16 PHE HB2 1 60 TYR QE . . 3.750 3.277 2.969 3.549 . 0 0 "[ . 1 . 2]" 1
1303 1 60 TYR H 1 60 TYR QE . . 4.680 4.516 4.363 4.685 0.005 1 0 "[ . 1 . 2]" 1
1304 1 37 TYR QE 1 48 ARG HB3 . . 4.400 3.012 2.796 3.145 . 0 0 "[ . 1 . 2]" 1
1305 1 35 LEU HB3 1 37 TYR QE . . 4.820 3.855 3.608 3.976 . 0 0 "[ . 1 . 2]" 1
1306 1 37 TYR QE 1 48 ARG HB2 . . 3.700 2.082 2.001 2.234 . 0 0 "[ . 1 . 2]" 1
1307 1 8 GLU HA 1 9 PRO HD3 . . 2.610 2.296 2.281 2.328 . 0 0 "[ . 1 . 2]" 1
1308 1 28 PHE HA 1 32 ALA MB . . 4.230 3.792 3.562 3.958 . 0 0 "[ . 1 . 2]" 1
1309 1 28 PHE HA 1 28 PHE HB3 . . 2.940 2.370 2.353 2.389 . 0 0 "[ . 1 . 2]" 1
1310 1 28 PHE HA 1 29 LYS H . . 2.840 2.467 2.252 2.547 . 0 0 "[ . 1 . 2]" 1
1311 1 28 PHE HA 1 28 PHE QD . . 4.140 3.716 3.705 3.722 . 0 0 "[ . 1 . 2]" 1
1312 1 28 PHE HA 1 49 HIS HE1 . . 4.260 3.254 2.554 4.262 0.002 7 0 "[ . 1 . 2]" 1
1313 1 18 TYR HB3 1 27 SER HA . . 4.510 4.227 4.013 4.498 . 0 0 "[ . 1 . 2]" 1
1314 1 19 VAL HA 1 27 SER HA . . 3.540 2.108 2.000 2.350 . 0 0 "[ . 1 . 2]" 1
1315 1 27 SER HA 1 28 PHE H . . 2.900 2.144 2.137 2.162 . 0 0 "[ . 1 . 2]" 1
1316 1 20 GLY H 1 27 SER HA . . 3.560 1.961 1.895 2.300 . 0 0 "[ . 1 . 2]" 1
1317 1 52 ILE MD 1 53 ASP H . . 5.290 4.868 3.698 5.292 0.002 19 0 "[ . 1 . 2]" 1
1318 1 15 LYS HG3 1 16 PHE QE . . 5.060 4.403 3.934 4.713 . 0 0 "[ . 1 . 2]" 1
1319 1 15 LYS HG2 1 16 PHE QE . . 5.060 4.053 2.303 5.001 . 0 0 "[ . 1 . 2]" 1
1320 1 20 GLY HA3 1 26 LEU HA . . 5.120 3.422 3.187 3.753 . 0 0 "[ . 1 . 2]" 1
1321 1 21 ARG H 1 22 THR HA . . 5.410 5.328 5.223 5.376 . 0 0 "[ . 1 . 2]" 1
1322 1 21 ARG H 1 25 GLU HB2 . . 4.150 3.079 2.716 3.319 . 0 0 "[ . 1 . 2]" 1
1323 1 25 GLU HB2 1 26 LEU H . . 4.730 3.670 3.148 4.151 . 0 0 "[ . 1 . 2]" 1
1324 1 26 LEU HB3 1 28 PHE QE . . 5.210 4.889 4.540 5.165 . 0 0 "[ . 1 . 2]" 1
1325 1 26 LEU HG 1 28 PHE QD . . 5.500 5.499 5.485 5.509 0.009 12 0 "[ . 1 . 2]" 1
1326 1 26 LEU HG 1 27 SER H . . 5.170 5.044 4.918 5.166 . 0 0 "[ . 1 . 2]" 1
1327 1 26 LEU MD1 1 28 PHE QD . . 4.790 4.074 3.885 4.287 . 0 0 "[ . 1 . 2]" 1
1328 1 20 GLY H 1 27 SER HB3 . . 4.560 2.463 1.904 3.897 . 0 0 "[ . 1 . 2]" 1
1329 1 34 LEU HA 1 35 LEU H . . 3.030 2.201 2.168 2.318 . 0 0 "[ . 1 . 2]" 1
1330 1 34 LEU HA 1 34 LEU MD2 . . 3.210 2.439 2.272 2.664 . 0 0 "[ . 1 . 2]" 1
1331 1 34 LEU MD2 1 50 ASN H . . 4.870 4.530 4.085 4.752 . 0 0 "[ . 1 . 2]" 1
1332 1 35 LEU H 1 35 LEU MD2 . . 4.750 4.367 4.338 4.463 . 0 0 "[ . 1 . 2]" 1
1333 1 37 TYR QD 1 46 GLU HB2 . . 5.000 4.791 4.611 5.004 0.004 19 0 "[ . 1 . 2]" 1
1334 1 37 TYR HA 1 37 TYR QE . . 4.850 4.371 4.269 4.402 . 0 0 "[ . 1 . 2]" 1
1335 1 39 ARG HA 1 45 TRP HB2 . . 5.270 4.934 4.818 5.105 . 0 0 "[ . 1 . 2]" 1
1336 1 36 LEU MD2 1 45 TRP HD1 . . 5.090 4.722 4.558 4.911 . 0 0 "[ . 1 . 2]" 1
1337 1 48 ARG HG3 1 53 ASP HA . . 5.070 3.520 3.200 3.826 . 0 0 "[ . 1 . 2]" 1
1338 1 37 TYR QE 1 48 ARG HD2 . . 5.380 4.535 3.733 5.279 . 0 0 "[ . 1 . 2]" 1
1339 1 37 TYR QE 1 48 ARG HD3 . . 5.380 4.609 3.706 5.379 . 0 0 "[ . 1 . 2]" 1
1340 1 45 TRP HD1 1 56 ILE HB . . 5.030 4.382 4.247 4.490 . 0 0 "[ . 1 . 2]" 1
1341 1 28 PHE QE 1 56 ILE HG13 . . 4.950 4.319 4.118 4.501 . 0 0 "[ . 1 . 2]" 1
1342 1 28 PHE QD 1 56 ILE HG12 . . 5.130 3.691 3.461 3.862 . 0 0 "[ . 1 . 2]" 1
1343 1 44 TRP HH2 1 57 PRO HB3 . . 4.590 3.875 3.601 4.061 . 0 0 "[ . 1 . 2]" 1
1344 1 60 TYR H 1 61 ILE HG12 . . 4.860 4.411 4.271 4.521 . 0 0 "[ . 1 . 2]" 1
1345 1 45 TRP HZ2 1 61 ILE MD . . 4.620 4.470 4.394 4.532 . 0 0 "[ . 1 . 2]" 1
1346 1 61 ILE MD 1 63 VAL MG1 . . 4.400 4.078 3.831 4.384 . 0 0 "[ . 1 . 2]" 1
1347 1 58 HIS HE1 1 63 VAL MG1 . . 4.690 4.244 3.781 4.685 . 0 0 "[ . 1 . 2]" 1
1348 1 13 ILE HG13 1 64 GLN HG3 . . 5.300 4.468 3.972 4.968 . 0 0 "[ . 1 . 2]" 1
1349 1 13 ILE HG13 1 64 GLN HG2 . . 5.300 5.038 4.479 5.300 . 0 0 "[ . 1 . 2]" 1
1350 1 6 SER QB 1 7 GLY H . . 5.010 3.463 2.313 4.061 . 0 0 "[ . 1 . 2]" 1
1351 1 67 SER QB 1 68 GLY H . . 5.500 3.281 2.300 4.007 . 0 0 "[ . 1 . 2]" 1
1352 1 58 HIS HE1 1 61 ILE MD . . 4.510 4.018 3.785 4.464 . 0 0 "[ . 1 . 2]" 1
1353 1 45 TRP HE1 1 58 HIS HE1 . . 4.020 3.501 3.442 3.593 . 0 0 "[ . 1 . 2]" 1
1354 1 45 TRP HH2 1 58 HIS HE1 . . 5.500 5.498 5.465 5.504 0.004 1 0 "[ . 1 . 2]" 1
1355 1 8 GLU HA 1 8 GLU HG3 . . 3.950 3.441 2.600 3.825 . 0 0 "[ . 1 . 2]" 1
1356 1 8 GLU H 1 8 GLU HG3 . . 4.350 3.399 2.292 4.308 . 0 0 "[ . 1 . 2]" 1
1357 1 39 ARG HG3 1 42 ASP HA . . 5.040 4.177 3.959 4.530 . 0 0 "[ . 1 . 2]" 1
1358 1 39 ARG HG2 1 42 ASP HA . . 4.970 3.836 3.512 4.098 . 0 0 "[ . 1 . 2]" 1
1359 1 39 ARG HD2 1 42 ASP HA . . 5.280 4.708 4.445 5.050 . 0 0 "[ . 1 . 2]" 1
1360 1 42 ASP HA 1 44 TRP H . . 5.170 4.021 3.950 4.069 . 0 0 "[ . 1 . 2]" 1
1361 1 41 SER H 1 42 ASP HA . . 5.210 4.948 4.894 4.988 . 0 0 "[ . 1 . 2]" 1
1362 1 58 HIS HD2 1 59 GLN H . . 5.290 4.642 4.362 4.801 . 0 0 "[ . 1 . 2]" 1
1363 1 39 ARG HD3 1 45 TRP HE3 . . 5.310 4.490 4.177 4.698 . 0 0 "[ . 1 . 2]" 1
1364 1 44 TRP HE3 1 45 TRP HB2 . . 5.500 4.895 4.803 4.989 . 0 0 "[ . 1 . 2]" 1
1365 1 44 TRP HE3 1 57 PRO HD3 . . 4.280 3.713 3.552 3.785 . 0 0 "[ . 1 . 2]" 1
1366 1 44 TRP HZ3 1 56 ILE H . . 4.750 4.642 4.470 4.752 0.002 15 0 "[ . 1 . 2]" 1
1367 1 25 GLU HB3 1 44 TRP HZ3 . . 5.310 3.980 3.202 4.864 . 0 0 "[ . 1 . 2]" 1
1368 1 36 LEU MD1 1 45 TRP HD1 . . 5.380 4.545 4.317 4.836 . 0 0 "[ . 1 . 2]" 1
1369 1 45 TRP HD1 1 61 ILE HG13 . . 5.080 4.732 4.627 4.817 . 0 0 "[ . 1 . 2]" 1
1370 1 45 TRP HE1 1 58 HIS HB3 . . 4.870 3.920 3.773 4.014 . 0 0 "[ . 1 . 2]" 1
1371 1 45 TRP HE1 1 58 HIS HB2 . . 4.500 2.382 2.218 2.485 . 0 0 "[ . 1 . 2]" 1
1372 1 58 HIS HB3 1 59 GLN QG . . 5.160 3.730 3.483 4.012 . 0 0 "[ . 1 . 2]" 1
1373 1 30 LYS QB 1 31 GLY HA2 . . 5.260 5.123 5.054 5.180 . 0 0 "[ . 1 . 2]" 1
1374 1 15 LYS HG2 1 16 PHE QD . . 5.490 4.733 3.154 5.489 . 0 0 "[ . 1 . 2]" 1
1375 1 15 LYS HG2 1 16 PHE HZ . . 5.500 4.434 2.865 5.501 0.001 7 0 "[ . 1 . 2]" 1
1376 1 15 LYS HG2 1 16 PHE H . . 5.290 4.835 4.545 5.007 . 0 0 "[ . 1 . 2]" 1
1377 1 15 LYS HG3 1 16 PHE QD . . 5.490 5.057 4.588 5.307 . 0 0 "[ . 1 . 2]" 1
1378 1 18 TYR HB2 1 28 PHE QD . . 4.320 4.234 4.134 4.322 0.002 18 0 "[ . 1 . 2]" 1
1379 1 14 ALA H 1 61 ILE MG . . 4.680 4.203 4.050 4.461 . 0 0 "[ . 1 . 2]" 1
1380 1 60 TYR QD 1 61 ILE MG . . 4.740 4.535 4.494 4.611 . 0 0 "[ . 1 . 2]" 1
1381 1 60 TYR HA 1 61 ILE MG . . 4.810 4.066 4.020 4.166 . 0 0 "[ . 1 . 2]" 1
1382 1 57 PRO HD2 1 61 ILE MG . . 4.740 3.394 3.271 3.553 . 0 0 "[ . 1 . 2]" 1
1383 1 13 ILE HA 1 33 SER HA . . 3.270 3.100 2.639 3.265 . 0 0 "[ . 1 . 2]" 1
1384 1 17 ASP HA 1 30 LYS H . . 3.860 2.246 1.915 2.618 . 0 0 "[ . 1 . 2]" 1
1385 1 17 ASP HA 1 18 TYR H . . 3.210 2.155 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
1386 1 17 ASP H 1 30 LYS HD2 . . 5.150 3.808 3.372 4.560 . 0 0 "[ . 1 . 2]" 1
1387 1 16 PHE QD 1 30 LYS HD3 . . 5.190 4.457 3.322 5.063 . 0 0 "[ . 1 . 2]" 1
1388 1 16 PHE QD 1 30 LYS HD2 . . 5.190 3.195 1.999 5.147 . 0 0 "[ . 1 . 2]" 1
1389 1 55 LEU HA 1 55 LEU HG . . 3.860 2.914 2.790 3.031 . 0 0 "[ . 1 . 2]" 1
1390 1 25 GLU HA 1 55 LEU HG . . 4.930 4.327 4.007 4.722 . 0 0 "[ . 1 . 2]" 1
1391 1 24 ARG HB3 1 55 LEU HG . . 4.170 3.142 2.764 3.554 . 0 0 "[ . 1 . 2]" 1
1392 1 11 GLU HG2 1 35 LEU MD2 . . 5.250 5.211 5.023 5.254 0.004 4 0 "[ . 1 . 2]" 1
1393 1 11 GLU HG3 1 35 LEU MD2 . . 4.630 4.624 4.574 4.637 0.007 10 0 "[ . 1 . 2]" 1
1394 1 11 GLU HG2 1 35 LEU HA . . 4.960 4.294 4.044 4.490 . 0 0 "[ . 1 . 2]" 1
1395 1 35 LEU HB2 1 37 TYR QE . . 5.040 5.003 4.879 5.049 0.009 6 0 "[ . 1 . 2]" 1
1396 1 9 PRO QG 1 35 LEU HG . . 4.820 3.342 2.825 3.583 . 0 0 "[ . 1 . 2]" 1
1397 1 36 LEU MD1 1 63 VAL HB . . 5.010 4.325 4.010 4.746 . 0 0 "[ . 1 . 2]" 1
1398 1 45 TRP HE1 1 58 HIS HA . . 3.800 3.585 3.500 3.647 . 0 0 "[ . 1 . 2]" 1
1399 1 34 LEU MD2 1 49 HIS HB3 . . 4.090 3.827 3.378 4.095 0.005 7 0 "[ . 1 . 2]" 1
1400 1 37 TYR HB3 1 47 GLY HA2 . . 5.240 4.476 4.320 4.691 . 0 0 "[ . 1 . 2]" 1
1401 1 24 ARG HB3 1 54 GLY HA3 . . 5.500 5.095 4.763 5.399 . 0 0 "[ . 1 . 2]" 1
1402 1 26 LEU HB2 1 54 GLY HA3 . . 5.500 4.911 4.770 5.026 . 0 0 "[ . 1 . 2]" 1
1403 1 46 GLU HG3 1 47 GLY H . . 5.500 5.491 5.476 5.504 0.004 14 0 "[ . 1 . 2]" 1
1404 1 38 GLN H 1 46 GLU HG3 . . 5.220 4.626 4.461 4.739 . 0 0 "[ . 1 . 2]" 1
1405 1 38 GLN H 1 46 GLU HG2 . . 5.500 5.456 5.342 5.503 0.003 4 0 "[ . 1 . 2]" 1
1406 1 41 SER HB2 1 43 ASP H . . 5.250 3.732 2.486 4.279 . 0 0 "[ . 1 . 2]" 1
1407 1 40 ALA MB 1 41 SER HB3 . . 4.970 4.176 3.730 4.785 . 0 0 "[ . 1 . 2]" 1
1408 1 40 ALA MB 1 44 TRP HD1 . . 5.300 4.593 4.359 5.052 . 0 0 "[ . 1 . 2]" 1
1409 1 44 TRP H 1 44 TRP HD1 . . 4.350 4.215 3.960 4.346 . 0 0 "[ . 1 . 2]" 1
1410 1 41 SER HB2 1 44 TRP HD1 . . 5.500 2.994 2.335 3.373 . 0 0 "[ . 1 . 2]" 1
1411 1 39 ARG HB3 1 45 TRP HH2 . . 5.500 5.240 4.945 5.494 . 0 0 "[ . 1 . 2]" 1
1412 1 39 ARG HG3 1 45 TRP HD1 . . 5.500 5.490 5.422 5.506 0.006 14 0 "[ . 1 . 2]" 1
1413 1 39 ARG HD3 1 45 TRP HD1 . . 5.500 4.632 4.468 4.975 . 0 0 "[ . 1 . 2]" 1
1414 1 39 ARG HD3 1 45 TRP HZ3 . . 5.500 4.353 3.963 4.611 . 0 0 "[ . 1 . 2]" 1
1415 1 39 ARG HD3 1 45 TRP HH2 . . 5.500 3.534 3.290 3.684 . 0 0 "[ . 1 . 2]" 1
1416 1 46 GLU HA 1 47 GLY HA2 . . 4.870 4.372 4.367 4.380 . 0 0 "[ . 1 . 2]" 1
1417 1 36 LEU HB2 1 45 TRP HZ3 . . 5.010 3.724 3.482 4.035 . 0 0 "[ . 1 . 2]" 1
1418 1 10 ILE MD 1 36 LEU HB2 . . 4.060 3.344 3.049 3.634 . 0 0 "[ . 1 . 2]" 1
1419 1 10 ILE MD 1 45 TRP HZ2 . . 5.500 4.697 4.356 5.079 . 0 0 "[ . 1 . 2]" 1
1420 1 36 LEU HB3 1 47 GLY HA2 . . 5.270 5.091 4.736 5.282 0.012 14 0 "[ . 1 . 2]" 1
1421 1 47 GLY HA2 1 48 ARG HB3 . . 4.750 4.659 4.545 4.749 . 0 0 "[ . 1 . 2]" 1
1422 1 37 TYR HB2 1 47 GLY HA3 . . 5.290 4.591 4.435 4.805 . 0 0 "[ . 1 . 2]" 1
1423 1 45 TRP HB3 1 47 GLY HA3 . . 5.280 4.774 4.631 4.867 . 0 0 "[ . 1 . 2]" 1
1424 1 37 TYR QE 1 47 GLY HA3 . . 5.280 4.463 4.281 4.747 . 0 0 "[ . 1 . 2]" 1
1425 1 36 LEU HB3 1 47 GLY HA3 . . 5.430 4.588 4.238 4.821 . 0 0 "[ . 1 . 2]" 1
1426 1 36 LEU HG 1 47 GLY HA3 . . 5.500 5.131 4.820 5.434 . 0 0 "[ . 1 . 2]" 1
1427 1 47 GLY HA3 1 48 ARG HB3 . . 5.040 4.814 4.762 4.872 . 0 0 "[ . 1 . 2]" 1
1428 1 47 GLY HA3 1 56 ILE HG12 . . 5.500 5.483 5.330 5.505 0.005 13 0 "[ . 1 . 2]" 1
1429 1 26 LEU MD1 1 47 GLY HA3 . . 4.850 4.291 4.073 4.500 . 0 0 "[ . 1 . 2]" 1
1430 1 25 GLU HG2 1 44 TRP HH2 . . 5.090 3.388 2.363 4.313 . 0 0 "[ . 1 . 2]" 1
1431 1 63 VAL HA 1 64 GLN HG3 . . 5.280 5.041 4.264 5.280 . 0 0 "[ . 1 . 2]" 1
1432 1 28 PHE HZ 1 57 PRO HB2 . . 5.250 4.400 4.282 4.669 . 0 0 "[ . 1 . 2]" 1
1433 1 44 TRP HZ3 1 57 PRO HB2 . . 5.500 4.711 4.340 5.071 . 0 0 "[ . 1 . 2]" 1
1434 1 57 PRO HB3 1 60 TYR HB2 . . 5.210 4.363 4.071 4.505 . 0 0 "[ . 1 . 2]" 1
1435 1 39 ARG HG2 1 45 TRP HA . . 5.500 5.386 5.203 5.480 . 0 0 "[ . 1 . 2]" 1
1436 1 39 ARG HG3 1 45 TRP HA . . 4.940 3.931 3.747 4.060 . 0 0 "[ . 1 . 2]" 1
1437 1 36 LEU MD1 1 45 TRP HB2 . . 5.400 4.096 3.873 4.414 . 0 0 "[ . 1 . 2]" 1
1438 1 39 ARG HB3 1 40 ALA H . . 4.950 4.383 3.940 4.483 . 0 0 "[ . 1 . 2]" 1
1439 1 39 ARG HB2 1 45 TRP HA . . 5.460 4.607 4.525 4.723 . 0 0 "[ . 1 . 2]" 1
1440 1 28 PHE QE 1 60 TYR QD . . 4.710 4.019 3.849 4.281 . 0 0 "[ . 1 . 2]" 1
1441 1 59 GLN QG 1 60 TYR QD . . 4.850 4.162 4.000 4.336 . 0 0 "[ . 1 . 2]" 1
1442 1 27 SER H 1 28 PHE QD . . 5.490 4.467 4.059 4.711 . 0 0 "[ . 1 . 2]" 1
1443 1 14 ALA HA 1 61 ILE H . . 5.170 4.893 4.755 4.987 . 0 0 "[ . 1 . 2]" 1
1444 1 14 ALA HA 1 28 PHE QD . . 4.950 4.147 3.762 4.446 . 0 0 "[ . 1 . 2]" 1
1445 1 14 ALA HA 1 28 PHE QE . . 4.540 3.513 3.256 3.767 . 0 0 "[ . 1 . 2]" 1
1446 1 14 ALA HA 1 60 TYR HB3 . . 4.710 4.671 4.528 4.720 0.010 17 0 "[ . 1 . 2]" 1
1447 1 14 ALA HA 1 34 LEU MD2 . . 5.500 5.086 4.778 5.295 . 0 0 "[ . 1 . 2]" 1
1448 1 28 PHE HZ 1 56 ILE HA . . 5.490 4.451 4.174 4.623 . 0 0 "[ . 1 . 2]" 1
1449 1 28 PHE HZ 1 61 ILE HA . . 5.500 5.462 5.372 5.504 0.004 14 0 "[ . 1 . 2]" 1
1450 1 16 PHE QE 1 60 TYR HA . . 4.710 3.451 2.783 4.446 . 0 0 "[ . 1 . 2]" 1
1451 1 44 TRP HA 1 44 TRP HD1 . . 5.150 4.440 4.344 4.499 . 0 0 "[ . 1 . 2]" 1
1452 1 44 TRP HA 1 57 PRO HB3 . . 5.050 4.909 4.735 5.053 0.003 10 0 "[ . 1 . 2]" 1
1453 1 43 ASP QB 1 44 TRP HA . . 5.240 4.511 4.415 4.636 . 0 0 "[ . 1 . 2]" 1
1454 1 41 SER HB3 1 44 TRP HD1 . . 5.500 2.722 2.236 3.717 . 0 0 "[ . 1 . 2]" 1
1455 1 44 TRP HE3 1 57 PRO HG3 . . 5.420 5.395 5.241 5.423 0.003 13 0 "[ . 1 . 2]" 1
1456 1 44 TRP HZ3 1 45 TRP H . . 5.270 5.168 5.080 5.265 . 0 0 "[ . 1 . 2]" 1
1457 1 25 GLU HA 1 44 TRP HZ3 . . 5.220 4.425 3.698 5.003 . 0 0 "[ . 1 . 2]" 1
1458 1 25 GLU HA 1 55 LEU HA . . 5.010 4.408 4.063 4.742 . 0 0 "[ . 1 . 2]" 1
1459 1 38 GLN HA 1 45 TRP HE3 . . 4.650 4.299 4.145 4.397 . 0 0 "[ . 1 . 2]" 1
1460 1 7 GLY QA 1 8 GLU QB . . 4.720 4.155 3.922 4.566 . 0 0 "[ . 1 . 2]" 1
1461 1 8 GLU H 1 8 GLU QB . . 3.080 2.480 2.250 2.959 . 0 0 "[ . 1 . 2]" 1
1462 1 8 GLU H 1 8 GLU QG . . 3.760 2.608 2.199 3.487 . 0 0 "[ . 1 . 2]" 1
1463 1 8 GLU HA 1 8 GLU QG . . 3.420 2.894 2.282 3.333 . 0 0 "[ . 1 . 2]" 1
1464 1 8 GLU QB 1 9 PRO HD2 . . 3.250 2.007 1.988 2.071 . 0 0 "[ . 1 . 2]" 1
1465 1 8 GLU QB 1 9 PRO HD3 . . 3.960 3.355 3.314 3.430 . 0 0 "[ . 1 . 2]" 1
1466 1 8 GLU QG 1 9 PRO HD2 . . 4.260 3.356 2.598 3.664 . 0 0 "[ . 1 . 2]" 1
1467 1 8 GLU QG 1 9 PRO HD3 . . 4.560 4.248 3.404 4.557 . 0 0 "[ . 1 . 2]" 1
1468 1 10 ILE H 1 10 ILE QG . . 3.240 2.510 2.423 2.581 . 0 0 "[ . 1 . 2]" 1
1469 1 10 ILE HA 1 10 ILE QG . . 3.160 2.492 2.431 2.561 . 0 0 "[ . 1 . 2]" 1
1470 1 10 ILE QG 1 10 ILE MG . . 3.120 2.224 2.072 2.295 . 0 0 "[ . 1 . 2]" 1
1471 1 10 ILE QG 1 11 GLU H . . 4.700 4.262 4.192 4.362 . 0 0 "[ . 1 . 2]" 1
1472 1 10 ILE QG 1 36 LEU MD1 . . 5.060 4.434 4.334 4.592 . 0 0 "[ . 1 . 2]" 1
1473 1 12 ALA HA 1 63 VAL QG . . 4.290 4.248 4.132 4.294 0.004 4 0 "[ . 1 . 2]" 1
1474 1 12 ALA HA 1 64 GLN QG . . 3.540 2.715 2.346 3.002 . 0 0 "[ . 1 . 2]" 1
1475 1 13 ILE H 1 64 GLN QG . . 4.190 3.518 2.736 3.958 . 0 0 "[ . 1 . 2]" 1
1476 1 13 ILE HG13 1 64 GLN QG . . 4.600 4.169 3.718 4.520 . 0 0 "[ . 1 . 2]" 1
1477 1 13 ILE MD 1 33 SER QB . . 4.030 3.291 2.633 3.676 . 0 0 "[ . 1 . 2]" 1
1478 1 13 ILE MD 1 64 GLN QG . . 4.460 4.174 3.734 4.424 . 0 0 "[ . 1 . 2]" 1
1479 1 15 LYS H 1 15 LYS QG . . 3.940 3.276 2.932 3.943 0.003 20 0 "[ . 1 . 2]" 1
1480 1 15 LYS HA 1 15 LYS QG . . 2.950 2.164 2.117 2.335 . 0 0 "[ . 1 . 2]" 1
1481 1 15 LYS HA 1 30 LYS QD . . 5.340 4.743 4.432 5.042 . 0 0 "[ . 1 . 2]" 1
1482 1 15 LYS QE 1 15 LYS QG . . 3.190 2.321 2.112 2.691 . 0 0 "[ . 1 . 2]" 1
1483 1 15 LYS QG 1 16 PHE H . . 4.590 4.330 4.210 4.414 . 0 0 "[ . 1 . 2]" 1
1484 1 15 LYS QG 1 16 PHE QD . . 4.710 4.266 3.102 4.711 0.001 5 0 "[ . 1 . 2]" 1
1485 1 15 LYS QG 1 16 PHE QE . . 4.290 3.620 2.288 4.173 . 0 0 "[ . 1 . 2]" 1
1486 1 15 LYS QG 1 16 PHE HZ . . 4.790 4.116 2.832 4.677 . 0 0 "[ . 1 . 2]" 1
1487 1 15 LYS QG 1 61 ILE H . . 5.080 3.760 2.869 4.536 . 0 0 "[ . 1 . 2]" 1
1488 1 15 LYS QG 1 61 ILE HA . . 4.290 3.477 2.742 4.313 0.023 17 0 "[ . 1 . 2]" 1
1489 1 17 ASP H 1 17 ASP QB . . 3.120 2.600 2.224 2.763 . 0 0 "[ . 1 . 2]" 1
1490 1 17 ASP H 1 30 LYS QD . . 4.540 3.572 3.231 4.269 . 0 0 "[ . 1 . 2]" 1
1491 1 17 ASP QB 1 18 TYR H . . 3.550 3.504 3.393 3.600 0.050 17 0 "[ . 1 . 2]" 1
1492 1 17 ASP QB 1 18 TYR HA . . 4.880 4.443 4.285 4.747 . 0 0 "[ . 1 . 2]" 1
1493 1 17 ASP QB 1 29 LYS HA . . 3.650 2.624 2.314 3.042 . 0 0 "[ . 1 . 2]" 1
1494 1 17 ASP QB 1 30 LYS H . . 3.990 2.324 1.911 3.019 . 0 0 "[ . 1 . 2]" 1
1495 1 18 TYR HA 1 19 VAL QG . . 4.040 3.525 3.411 3.658 . 0 0 "[ . 1 . 2]" 1
1496 1 18 TYR QE 1 25 GLU QG . . 5.340 3.632 3.231 4.095 . 0 0 "[ . 1 . 2]" 1
1497 1 19 VAL H 1 19 VAL QG . . 3.180 1.968 1.876 2.118 . 0 0 "[ . 1 . 2]" 1
1498 1 19 VAL HA 1 19 VAL QG . . 2.730 2.323 2.244 2.372 . 0 0 "[ . 1 . 2]" 1
1499 1 19 VAL QG 1 20 GLY H . . 3.330 2.804 2.423 3.001 . 0 0 "[ . 1 . 2]" 1
1500 1 19 VAL QG 1 20 GLY HA2 . . 4.610 3.960 3.781 4.076 . 0 0 "[ . 1 . 2]" 1
1501 1 19 VAL QG 1 20 GLY HA3 . . 4.590 3.869 3.732 3.988 . 0 0 "[ . 1 . 2]" 1
1502 1 19 VAL QG 1 21 ARG HA . . 4.590 3.431 3.334 3.561 . 0 0 "[ . 1 . 2]" 1
1503 1 19 VAL QG 1 27 SER HA . . 4.560 3.624 3.458 3.771 . 0 0 "[ . 1 . 2]" 1
1504 1 19 VAL QG 1 27 SER QB . . 3.710 2.293 1.981 3.158 . 0 0 "[ . 1 . 2]" 1
1505 1 20 GLY H 1 27 SER QB . . 3.910 2.102 1.880 2.848 . 0 0 "[ . 1 . 2]" 1
1506 1 20 GLY HA2 1 25 GLU QG . . 4.760 3.667 3.279 3.982 . 0 0 "[ . 1 . 2]" 1
1507 1 20 GLY HA3 1 25 GLU QG . . 5.230 4.472 4.132 4.820 . 0 0 "[ . 1 . 2]" 1
1508 1 21 ARG H 1 21 ARG QG . . 3.470 2.485 1.898 2.915 . 0 0 "[ . 1 . 2]" 1
1509 1 21 ARG HA 1 21 ARG QG . . 3.030 2.378 2.223 2.557 . 0 0 "[ . 1 . 2]" 1
1510 1 21 ARG QG 1 22 THR H . . 4.440 4.250 3.895 4.443 0.003 15 0 "[ . 1 . 2]" 1
1511 1 22 THR H 1 25 GLU QG . . 3.700 3.350 2.319 3.700 . 0 0 "[ . 1 . 2]" 1
1512 1 22 THR MG 1 25 GLU QG . . 4.300 4.161 3.615 4.293 . 0 0 "[ . 1 . 2]" 1
1513 1 24 ARG H 1 24 ARG QG . . 3.810 2.784 2.413 3.370 . 0 0 "[ . 1 . 2]" 1
1514 1 24 ARG HA 1 24 ARG QG . . 3.040 2.329 2.146 2.673 . 0 0 "[ . 1 . 2]" 1
1515 1 24 ARG HA 1 24 ARG QD . . 3.750 2.972 1.987 3.746 . 0 0 "[ . 1 . 2]" 1
1516 1 24 ARG HA 1 55 LEU QD . . 4.880 4.438 4.137 4.844 . 0 0 "[ . 1 . 2]" 1
1517 1 24 ARG HB2 1 25 GLU QG . . 4.710 3.590 3.238 4.143 . 0 0 "[ . 1 . 2]" 1
1518 1 24 ARG HB2 1 55 LEU QD . . 3.860 3.439 3.092 3.837 . 0 0 "[ . 1 . 2]" 1
1519 1 24 ARG HB3 1 24 ARG QD . . 3.600 2.467 2.209 3.266 . 0 0 "[ . 1 . 2]" 1
1520 1 24 ARG HB3 1 25 GLU QG . . 4.120 3.799 3.458 4.120 0.000 17 0 "[ . 1 . 2]" 1
1521 1 24 ARG HB3 1 55 LEU QD . . 3.600 2.371 1.985 2.875 . 0 0 "[ . 1 . 2]" 1
1522 1 24 ARG QG 1 55 LEU QD . . 4.000 3.536 2.602 3.959 . 0 0 "[ . 1 . 2]" 1
1523 1 24 ARG QD 1 55 LEU QD . . 4.080 3.021 2.337 4.077 . 0 0 "[ . 1 . 2]" 1
1524 1 25 GLU H 1 25 GLU QG . . 3.110 2.394 2.079 2.891 . 0 0 "[ . 1 . 2]" 1
1525 1 25 GLU H 1 55 LEU QD . . 4.640 4.151 3.902 4.445 . 0 0 "[ . 1 . 2]" 1
1526 1 25 GLU HA 1 55 LEU QD . . 4.310 3.745 3.549 4.003 . 0 0 "[ . 1 . 2]" 1
1527 1 25 GLU QG 1 26 LEU H . . 4.790 3.880 3.650 4.148 . 0 0 "[ . 1 . 2]" 1
1528 1 25 GLU QG 1 44 TRP HE3 . . 4.760 4.379 4.076 4.752 . 0 0 "[ . 1 . 2]" 1
1529 1 25 GLU QG 1 44 TRP HZ3 . . 3.950 2.869 2.376 3.475 . 0 0 "[ . 1 . 2]" 1
1530 1 25 GLU QG 1 44 TRP HZ2 . . 4.860 4.352 3.940 4.862 0.002 19 0 "[ . 1 . 2]" 1
1531 1 25 GLU QG 1 44 TRP HH2 . . 4.210 2.860 2.341 3.408 . 0 0 "[ . 1 . 2]" 1
1532 1 25 GLU QG 1 55 LEU HB2 . . 3.680 2.980 2.444 3.711 0.031 17 0 "[ . 1 . 2]" 1
1533 1 25 GLU QG 1 55 LEU HB3 . . 4.180 3.806 3.415 4.120 . 0 0 "[ . 1 . 2]" 1
1534 1 25 GLU QG 1 55 LEU QD . . 3.690 3.150 2.757 3.690 . 17 0 "[ . 1 . 2]" 1
1535 1 27 SER H 1 27 SER QB . . 3.400 2.602 2.169 2.936 . 0 0 "[ . 1 . 2]" 1
1536 1 27 SER QB 1 28 PHE H . . 3.650 3.417 3.228 3.689 0.039 12 0 "[ . 1 . 2]" 1
1537 1 29 LYS H 1 29 LYS QG . . 3.670 3.175 2.324 3.702 0.032 6 0 "[ . 1 . 2]" 1
1538 1 29 LYS H 1 29 LYS QD . . 4.470 3.530 2.254 4.424 . 0 0 "[ . 1 . 2]" 1
1539 1 29 LYS HA 1 29 LYS QG . . 3.380 2.559 2.227 2.918 . 0 0 "[ . 1 . 2]" 1
1540 1 29 LYS HA 1 29 LYS QD . . 3.360 2.641 2.106 3.340 . 0 0 "[ . 1 . 2]" 1
1541 1 29 LYS QG 1 30 LYS H . . 4.820 4.119 3.232 4.502 . 0 0 "[ . 1 . 2]" 1
1542 1 33 SER QB 1 34 LEU H . . 3.770 3.719 3.634 3.773 0.003 4 0 "[ . 1 . 2]" 1
1543 1 35 LEU MD2 1 48 ARG QD . . 4.110 3.961 3.695 4.116 0.006 20 0 "[ . 1 . 2]" 1
1544 1 36 LEU HB3 1 63 VAL QG . . 5.440 4.221 3.796 4.604 . 0 0 "[ . 1 . 2]" 1
1545 1 36 LEU MD1 1 63 VAL QG . . 2.900 1.995 1.745 2.341 . 0 0 "[ . 1 . 2]" 1
1546 1 37 TYR HB2 1 38 GLN QB . . 5.140 3.697 3.498 4.258 . 0 0 "[ . 1 . 2]" 1
1547 1 37 TYR HB3 1 38 GLN QB . . 4.600 3.876 3.469 4.157 . 0 0 "[ . 1 . 2]" 1
1548 1 37 TYR HB3 1 38 GLN QG . . 5.340 3.940 3.111 5.400 0.060 14 0 "[ . 1 . 2]" 1
1549 1 37 TYR QE 1 48 ARG QD . . 4.700 3.811 3.624 4.197 . 0 0 "[ . 1 . 2]" 1
1550 1 38 GLN H 1 38 GLN QG . . 4.380 3.511 2.225 4.245 . 0 0 "[ . 1 . 2]" 1
1551 1 38 GLN QB 1 39 ARG H . . 3.720 2.793 2.285 3.399 . 0 0 "[ . 1 . 2]" 1
1552 1 38 GLN QG 1 39 ARG H . . 4.690 3.367 2.017 4.137 . 0 0 "[ . 1 . 2]" 1
1553 1 40 ALA MB 1 41 SER QB . . 4.230 3.171 2.994 3.693 . 0 0 "[ . 1 . 2]" 1
1554 1 40 ALA MB 1 55 LEU QD . . 3.160 2.124 1.972 2.460 . 0 0 "[ . 1 . 2]" 1
1555 1 41 SER HA 1 41 SER QB . . 2.640 2.442 2.325 2.490 . 0 0 "[ . 1 . 2]" 1
1556 1 41 SER QB 1 43 ASP H . . 4.580 2.415 2.234 2.707 . 0 0 "[ . 1 . 2]" 1
1557 1 41 SER QB 1 44 TRP H . . 4.390 2.966 2.638 3.230 . 0 0 "[ . 1 . 2]" 1
1558 1 41 SER QB 1 44 TRP HB3 . . 5.180 3.640 3.438 3.794 . 0 0 "[ . 1 . 2]" 1
1559 1 41 SER QB 1 44 TRP HD1 . . 4.810 2.380 2.185 2.729 . 0 0 "[ . 1 . 2]" 1
1560 1 44 TRP H 1 55 LEU QD . . 5.440 5.272 4.932 5.416 . 0 0 "[ . 1 . 2]" 1
1561 1 44 TRP HA 1 55 LEU QD . . 4.780 4.072 3.729 4.350 . 0 0 "[ . 1 . 2]" 1
1562 1 44 TRP HB2 1 55 LEU QD . . 3.920 3.302 3.044 3.480 . 0 0 "[ . 1 . 2]" 1
1563 1 44 TRP HB3 1 55 LEU QD . . 3.260 2.176 1.973 2.456 . 0 0 "[ . 1 . 2]" 1
1564 1 44 TRP HD1 1 55 LEU QD . . 5.440 4.174 3.955 4.379 . 0 0 "[ . 1 . 2]" 1
1565 1 44 TRP HE3 1 55 LEU QD . . 3.940 3.370 3.046 3.605 . 0 0 "[ . 1 . 2]" 1
1566 1 45 TRP H 1 55 LEU QD . . 4.740 3.050 2.658 3.387 . 0 0 "[ . 1 . 2]" 1
1567 1 45 TRP HZ2 1 63 VAL QG . . 3.650 2.201 1.949 2.483 . 0 0 "[ . 1 . 2]" 1
1568 1 46 GLU H 1 55 LEU QD . . 4.660 4.453 4.254 4.613 . 0 0 "[ . 1 . 2]" 1
1569 1 46 GLU HA 1 55 LEU QD . . 3.230 3.071 2.820 3.226 . 0 0 "[ . 1 . 2]" 1
1570 1 46 GLU HB2 1 55 LEU QD . . 5.140 4.675 4.426 4.814 . 0 0 "[ . 1 . 2]" 1
1571 1 46 GLU HB3 1 55 LEU QD . . 4.710 4.249 3.996 4.437 . 0 0 "[ . 1 . 2]" 1
1572 1 46 GLU HG2 1 55 LEU QD . . 3.270 2.292 2.045 2.470 . 0 0 "[ . 1 . 2]" 1
1573 1 46 GLU HG3 1 55 LEU QD . . 3.930 3.497 3.247 3.648 . 0 0 "[ . 1 . 2]" 1
1574 1 47 GLY H 1 55 LEU QD . . 4.680 4.568 4.375 4.639 . 0 0 "[ . 1 . 2]" 1
1575 1 48 ARG HA 1 48 ARG QG . . 3.520 2.555 2.454 2.635 . 0 0 "[ . 1 . 2]" 1
1576 1 48 ARG HA 1 48 ARG QD . . 4.850 4.221 4.157 4.319 . 0 0 "[ . 1 . 2]" 1
1577 1 48 ARG HB2 1 48 ARG QD . . 3.450 2.695 2.488 3.063 . 0 0 "[ . 1 . 2]" 1
1578 1 48 ARG HB3 1 48 ARG QD . . 3.320 2.343 2.150 2.465 . 0 0 "[ . 1 . 2]" 1
1579 1 48 ARG QG 1 50 ASN H . . 5.340 3.860 3.096 4.359 . 0 0 "[ . 1 . 2]" 1
1580 1 48 ARG QG 1 51 GLY H . . 3.640 2.473 2.027 2.712 . 0 0 "[ . 1 . 2]" 1
1581 1 48 ARG QG 1 52 ILE H . . 3.710 2.354 2.090 3.085 . 0 0 "[ . 1 . 2]" 1
1582 1 48 ARG QG 1 53 ASP HA . . 4.380 3.416 3.149 3.719 . 0 0 "[ . 1 . 2]" 1
1583 1 48 ARG QD 1 51 GLY H . . 4.170 3.002 2.605 3.473 . 0 0 "[ . 1 . 2]" 1
1584 1 48 ARG QD 1 51 GLY HA2 . . 3.510 2.086 1.991 2.326 . 0 0 "[ . 1 . 2]" 1
1585 1 48 ARG QD 1 51 GLY HA3 . . 4.190 3.758 3.636 3.994 . 0 0 "[ . 1 . 2]" 1
1586 1 49 HIS HE1 1 50 ASN QB . . 4.370 3.438 2.283 4.118 . 0 0 "[ . 1 . 2]" 1
1587 1 50 ASN QB 1 51 GLY H . . 4.310 3.865 3.778 3.962 . 0 0 "[ . 1 . 2]" 1
1588 1 50 ASN QB 1 52 ILE MD . . 4.570 3.094 2.230 4.393 . 0 0 "[ . 1 . 2]" 1
1589 1 50 ASN QD 1 52 ILE MD . . 4.870 3.691 2.408 4.768 . 0 0 "[ . 1 . 2]" 1
1590 1 51 GLY H 1 52 ILE QG . . 5.320 4.292 3.992 5.279 . 0 0 "[ . 1 . 2]" 1
1591 1 51 GLY HA3 1 52 ILE QG . . 4.740 3.751 3.517 4.315 . 0 0 "[ . 1 . 2]" 1
1592 1 52 ILE H 1 52 ILE QG . . 3.430 2.879 2.626 3.213 . 0 0 "[ . 1 . 2]" 1
1593 1 52 ILE HA 1 52 ILE QG . . 3.200 2.569 2.306 3.019 . 0 0 "[ . 1 . 2]" 1
1594 1 52 ILE QG 1 52 ILE MG . . 2.960 2.230 1.953 2.397 . 0 0 "[ . 1 . 2]" 1
1595 1 55 LEU HA 1 55 LEU QD . . 2.800 2.011 1.964 2.188 . 0 0 "[ . 1 . 2]" 1
1596 1 55 LEU HB2 1 55 LEU QD . . 3.050 2.209 2.095 2.328 . 0 0 "[ . 1 . 2]" 1
1597 1 55 LEU HB3 1 55 LEU QD . . 2.850 2.103 2.048 2.135 . 0 0 "[ . 1 . 2]" 1
1598 1 55 LEU QD 1 56 ILE H . . 3.800 3.058 2.388 3.304 . 0 0 "[ . 1 . 2]" 1
1599 1 58 HIS HD2 1 59 GLN QE . . 5.300 4.063 2.769 5.319 0.019 12 0 "[ . 1 . 2]" 1
1600 1 58 HIS HE1 1 63 VAL QG . . 3.690 2.632 2.252 3.067 . 0 0 "[ . 1 . 2]" 1
1601 1 61 ILE HB 1 63 VAL QG . . 4.460 4.228 3.926 4.461 0.001 10 0 "[ . 1 . 2]" 1
1602 1 61 ILE MD 1 63 VAL QG . . 3.010 2.003 1.756 2.255 . 0 0 "[ . 1 . 2]" 1
1603 1 63 VAL H 1 63 VAL QG . . 2.970 2.275 2.071 2.576 . 0 0 "[ . 1 . 2]" 1
1604 1 63 VAL HA 1 64 GLN QG . . 4.470 3.823 3.637 3.993 . 0 0 "[ . 1 . 2]" 1
1605 1 63 VAL QG 1 64 GLN H . . 3.280 2.968 2.693 3.251 . 0 0 "[ . 1 . 2]" 1
1606 1 63 VAL QG 1 64 GLN HA . . 4.520 3.984 3.843 4.127 . 0 0 "[ . 1 . 2]" 1
1607 1 63 VAL QG 1 65 ASP H . . 4.600 3.779 3.097 4.414 . 0 0 "[ . 1 . 2]" 1
1608 1 63 VAL QG 1 65 ASP QB . . 4.580 3.394 2.219 4.320 . 0 0 "[ . 1 . 2]" 1
1609 1 64 GLN H 1 64 GLN QG . . 3.400 2.248 2.012 2.466 . 0 0 "[ . 1 . 2]" 1
1610 1 64 GLN HA 1 64 GLN QG . . 3.500 2.690 2.442 2.860 . 0 0 "[ . 1 . 2]" 1
1611 1 64 GLN HB3 1 64 GLN QG . . 2.550 2.460 2.443 2.466 . 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 7
_Distance_constraint_stats_list.Viol_count 125
_Distance_constraint_stats_list.Viol_total 201.165
_Distance_constraint_stats_list.Viol_max 0.212
_Distance_constraint_stats_list.Viol_rms 0.0659
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0718
_Distance_constraint_stats_list.Viol_average_violations_only 0.0805
_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 45 TRP 10.058 0.212 12 0 "[ . 1 . 2]"
1 58 HIS 10.058 0.212 12 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 45 TRP HE1 1 58 HIS ND1 . . 1.950 2.057 2.055 2.058 0.108 14 0 "[ . 1 . 2]" 2
2 1 45 TRP HE1 1 58 HIS NE2 . . 4.050 4.177 4.140 4.199 0.149 12 0 "[ . 1 . 2]" 2
3 1 45 TRP HE1 1 58 HIS CD2 . . 4.050 4.079 4.047 4.107 0.057 8 0 "[ . 1 . 2]" 2
4 1 45 TRP CG 1 58 HIS ND1 . . 5.100 5.125 5.092 5.179 0.079 12 0 "[ . 1 . 2]" 2
5 1 45 TRP CD2 1 58 HIS ND1 . . 5.100 5.119 5.100 5.150 0.050 13 0 "[ . 1 . 2]" 2
6 1 45 TRP CD2 1 58 HIS NE2 . . 7.000 7.187 7.166 7.212 0.212 12 0 "[ . 1 . 2]" 2
7 1 45 TRP CG 1 58 HIS CD2 . . 7.000 7.005 6.984 7.037 0.037 2 0 "[ . 1 . 2]" 2
stop_
save_
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