NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
461170 |
2dl4   |
11217 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dl4
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 1140
_Distance_constraint_stats_list.Viol_count 271
_Distance_constraint_stats_list.Viol_total 27.045
_Distance_constraint_stats_list.Viol_max 0.053
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0050
_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 8 ASN 0.001 0.001 11 0 "[ . 1 . 2]"
1 9 THR 0.055 0.018 12 0 "[ . 1 . 2]"
1 10 TYR 0.011 0.003 20 0 "[ . 1 . 2]"
1 11 VAL 0.027 0.007 18 0 "[ . 1 . 2]"
1 12 ALA 0.019 0.006 13 0 "[ . 1 . 2]"
1 13 LEU 0.001 0.001 14 0 "[ . 1 . 2]"
1 14 TYR 0.004 0.002 14 0 "[ . 1 . 2]"
1 15 LYS 0.012 0.004 11 0 "[ . 1 . 2]"
1 16 PHE 0.090 0.009 20 0 "[ . 1 . 2]"
1 17 VAL 0.309 0.030 5 0 "[ . 1 . 2]"
1 18 PRO 0.271 0.030 5 0 "[ . 1 . 2]"
1 19 GLN 0.033 0.010 6 0 "[ . 1 . 2]"
1 20 GLU 0.073 0.040 19 0 "[ . 1 . 2]"
1 21 ASN 0.024 0.014 19 0 "[ . 1 . 2]"
1 22 GLU 0.041 0.029 19 0 "[ . 1 . 2]"
1 23 ASP 0.056 0.014 19 0 "[ . 1 . 2]"
1 24 LEU 0.021 0.007 20 0 "[ . 1 . 2]"
1 25 GLU 0.069 0.020 18 0 "[ . 1 . 2]"
1 26 MET 0.194 0.014 15 0 "[ . 1 . 2]"
1 27 ARG 0.053 0.010 14 0 "[ . 1 . 2]"
1 28 PRO 0.009 0.004 11 0 "[ . 1 . 2]"
1 29 GLY 0.006 0.005 16 0 "[ . 1 . 2]"
1 30 ASP 0.065 0.019 18 0 "[ . 1 . 2]"
1 31 ILE 0.091 0.047 18 0 "[ . 1 . 2]"
1 32 ILE 0.058 0.009 18 0 "[ . 1 . 2]"
1 33 THR 0.008 0.003 9 0 "[ . 1 . 2]"
1 34 LEU 0.007 0.003 13 0 "[ . 1 . 2]"
1 35 LEU 0.004 0.004 13 0 "[ . 1 . 2]"
1 36 GLU 0.006 0.003 19 0 "[ . 1 . 2]"
1 37 ASP 0.002 0.002 20 0 "[ . 1 . 2]"
1 38 SER 0.003 0.003 19 0 "[ . 1 . 2]"
1 39 ASN 0.017 0.011 19 0 "[ . 1 . 2]"
1 40 GLU 0.028 0.011 19 0 "[ . 1 . 2]"
1 41 ASP 0.077 0.053 19 0 "[ . 1 . 2]"
1 42 TRP 0.082 0.053 19 0 "[ . 1 . 2]"
1 43 TRP 0.018 0.004 19 0 "[ . 1 . 2]"
1 44 LYS 0.012 0.007 10 0 "[ . 1 . 2]"
1 45 GLY 0.024 0.006 15 0 "[ . 1 . 2]"
1 46 LYS 0.077 0.008 16 0 "[ . 1 . 2]"
1 47 ILE 0.090 0.012 14 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 0.018 0.010 7 0 "[ . 1 . 2]"
1 51 ILE 0.147 0.048 14 0 "[ . 1 . 2]"
1 52 GLY 0.097 0.048 14 0 "[ . 1 . 2]"
1 53 PHE 0.003 0.002 19 0 "[ . 1 . 2]"
1 54 PHE 0.037 0.013 11 0 "[ . 1 . 2]"
1 55 PRO 0.043 0.013 11 0 "[ . 1 . 2]"
1 56 ALA 0.008 0.002 13 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.017 0.005 18 0 "[ . 1 . 2]"
1 59 VAL 0.008 0.006 1 0 "[ . 1 . 2]"
1 60 GLN 0.003 0.002 19 0 "[ . 1 . 2]"
1 61 ARG 0.018 0.006 12 0 "[ . 1 . 2]"
1 62 LEU 0.010 0.004 11 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 TYR H 1 10 TYR QD . . 3.810 2.812 2.627 3.095 . 0 0 "[ . 1 . 2]" 1
2 1 10 TYR H 1 10 TYR HB2 . . 3.660 2.687 2.601 2.810 . 0 0 "[ . 1 . 2]" 1
3 1 10 TYR H 1 31 ILE MG . . 4.310 3.537 2.684 3.989 . 0 0 "[ . 1 . 2]" 1
4 1 26 MET HA 1 27 ARG H . . 2.770 2.380 2.287 2.508 . 0 0 "[ . 1 . 2]" 1
5 1 27 ARG H 1 30 ASP HB2 . . 3.810 2.591 2.362 2.789 . 0 0 "[ . 1 . 2]" 1
6 1 26 MET HB2 1 27 ARG H . . 3.970 2.552 2.258 2.816 . 0 0 "[ . 1 . 2]" 1
7 1 26 MET HB3 1 27 ARG H . . 3.760 3.497 3.309 3.684 . 0 0 "[ . 1 . 2]" 1
8 1 27 ARG H 1 27 ARG HB2 . . 4.030 2.830 2.404 3.810 . 0 0 "[ . 1 . 2]" 1
9 1 27 ARG H 1 27 ARG HB3 . . 4.030 3.547 2.769 3.781 . 0 0 "[ . 1 . 2]" 1
10 1 12 ALA MB 1 27 ARG H . . 4.250 3.187 2.987 3.448 . 0 0 "[ . 1 . 2]" 1
11 1 24 LEU HA 1 25 GLU H . . 2.760 2.207 2.141 2.257 . 0 0 "[ . 1 . 2]" 1
12 1 25 GLU H 1 25 GLU HB3 . . 3.230 2.690 2.478 2.853 . 0 0 "[ . 1 . 2]" 1
13 1 25 GLU H 1 25 GLU HB2 . . 3.290 2.588 2.315 2.920 . 0 0 "[ . 1 . 2]" 1
14 1 24 LEU HG 1 25 GLU H . . 4.360 3.087 2.732 3.653 . 0 0 "[ . 1 . 2]" 1
15 1 24 LEU MD1 1 25 GLU H . . 3.570 2.063 1.857 2.617 . 0 0 "[ . 1 . 2]" 1
16 1 13 LEU H 1 13 LEU HG . . 3.570 2.326 2.096 2.612 . 0 0 "[ . 1 . 2]" 1
17 1 13 LEU H 1 13 LEU MD2 . . 4.270 3.608 3.202 3.823 . 0 0 "[ . 1 . 2]" 1
18 1 13 LEU H 1 13 LEU HB2 . . 3.510 2.536 2.411 2.679 . 0 0 "[ . 1 . 2]" 1
19 1 47 ILE HA 1 48 GLN H . . 3.170 2.401 2.383 2.412 . 0 0 "[ . 1 . 2]" 1
20 1 48 GLN H 1 48 GLN HB2 . . 4.200 2.618 2.502 2.697 . 0 0 "[ . 1 . 2]" 1
21 1 47 ILE MG 1 48 GLN H . . 3.960 1.787 1.748 1.893 . 0 0 "[ . 1 . 2]" 1
22 1 42 TRP H 1 42 TRP HB2 . . 4.160 2.527 2.455 2.660 . 0 0 "[ . 1 . 2]" 1
23 1 42 TRP H 1 42 TRP HB3 . . 4.160 3.708 3.658 3.792 . 0 0 "[ . 1 . 2]" 1
24 1 41 ASP HB2 1 42 TRP H . . 4.460 2.464 1.920 3.694 . 0 0 "[ . 1 . 2]" 1
25 1 33 THR H 1 46 LYS H . . 3.400 2.445 2.086 2.905 . 0 0 "[ . 1 . 2]" 1
26 1 32 ILE HA 1 33 THR H . . 2.860 2.187 2.140 2.226 . 0 0 "[ . 1 . 2]" 1
27 1 33 THR H 1 33 THR HB . . 3.310 2.565 2.489 2.655 . 0 0 "[ . 1 . 2]" 1
28 1 33 THR H 1 46 LYS HB3 . . 4.400 3.799 3.221 4.321 . 0 0 "[ . 1 . 2]" 1
29 1 33 THR H 1 33 THR MG . . 4.180 3.812 3.775 3.842 . 0 0 "[ . 1 . 2]" 1
30 1 32 ILE MG 1 33 THR H . . 3.430 2.274 1.929 2.748 . 0 0 "[ . 1 . 2]" 1
31 1 50 ARG H 1 50 ARG HB2 . . 3.810 2.539 2.398 2.979 . 0 0 "[ . 1 . 2]" 1
32 1 50 ARG H 1 50 ARG HB3 . . 3.810 3.667 3.549 3.820 0.010 7 0 "[ . 1 . 2]" 1
33 1 50 ARG H 1 50 ARG HG3 . . 4.720 3.847 2.726 4.262 . 0 0 "[ . 1 . 2]" 1
34 1 29 GLY H 1 30 ASP H . . 3.480 1.900 1.797 2.213 . 0 0 "[ . 1 . 2]" 1
35 1 28 PRO HA 1 30 ASP H . . 4.050 3.836 3.684 4.050 0.000 10 0 "[ . 1 . 2]" 1
36 1 30 ASP H 1 30 ASP HB2 . . 3.170 2.280 2.188 2.619 . 0 0 "[ . 1 . 2]" 1
37 1 25 GLU HA 1 26 MET H . . 2.810 2.157 2.142 2.210 . 0 0 "[ . 1 . 2]" 1
38 1 16 PHE HB3 1 26 MET H . . 3.820 2.263 2.093 2.652 . 0 0 "[ . 1 . 2]" 1
39 1 25 GLU HG3 1 26 MET H . . 3.600 3.207 2.836 3.565 . 0 0 "[ . 1 . 2]" 1
40 1 26 MET H 1 26 MET HG2 . . 4.150 2.249 1.956 2.479 . 0 0 "[ . 1 . 2]" 1
41 1 25 GLU HG2 1 26 MET H . . 4.140 3.341 2.879 3.976 . 0 0 "[ . 1 . 2]" 1
42 1 25 GLU HB3 1 26 MET H . . 4.620 4.074 3.698 4.289 . 0 0 "[ . 1 . 2]" 1
43 1 19 GLN H 1 19 GLN HB2 . . 3.820 2.551 2.185 3.597 . 0 0 "[ . 1 . 2]" 1
44 1 19 GLN H 1 19 GLN HB3 . . 3.820 2.967 2.361 3.606 . 0 0 "[ . 1 . 2]" 1
45 1 37 ASP H 1 39 ASN H . . 5.080 4.890 4.681 5.074 . 0 0 "[ . 1 . 2]" 1
46 1 39 ASN H 1 39 ASN HB2 . . 3.710 2.429 2.190 2.794 . 0 0 "[ . 1 . 2]" 1
47 1 39 ASN H 1 39 ASN HB3 . . 3.710 3.419 2.707 3.713 0.003 17 0 "[ . 1 . 2]" 1
48 1 22 GLU H 1 23 ASP H . . 3.180 2.852 1.799 3.074 . 0 0 "[ . 1 . 2]" 1
49 1 48 GLN HB2 1 49 ASP H . . 3.180 2.048 1.936 2.211 . 0 0 "[ . 1 . 2]" 1
50 1 48 GLN HB3 1 49 ASP H . . 3.160 2.856 2.737 3.088 . 0 0 "[ . 1 . 2]" 1
51 1 30 ASP HA 1 31 ILE H . . 2.700 2.389 2.223 2.463 . 0 0 "[ . 1 . 2]" 1
52 1 30 ASP HB2 1 31 ILE H . . 4.130 3.900 3.757 4.149 0.019 18 0 "[ . 1 . 2]" 1
53 1 30 ASP HB3 1 31 ILE H . . 3.570 2.572 2.352 3.216 . 0 0 "[ . 1 . 2]" 1
54 1 31 ILE H 1 31 ILE HB . . 2.980 2.586 2.387 2.670 . 0 0 "[ . 1 . 2]" 1
55 1 31 ILE H 1 31 ILE HG12 . . 3.490 2.623 2.336 3.537 0.047 18 0 "[ . 1 . 2]" 1
56 1 31 ILE H 1 47 ILE MG . . 4.470 4.269 3.828 4.473 0.003 18 0 "[ . 1 . 2]" 1
57 1 31 ILE H 1 31 ILE MG . . 4.010 3.826 3.734 3.864 . 0 0 "[ . 1 . 2]" 1
58 1 31 ILE H 1 31 ILE MD . . 4.070 3.610 1.966 3.926 . 0 0 "[ . 1 . 2]" 1
59 1 50 ARG HA 1 51 ILE H . . 2.680 2.232 2.140 2.323 . 0 0 "[ . 1 . 2]" 1
60 1 51 ILE H 1 51 ILE HB . . 3.120 2.936 2.706 3.120 . 0 0 "[ . 1 . 2]" 1
61 1 51 ILE H 1 51 ILE HG13 . . 4.810 3.182 2.789 3.967 . 0 0 "[ . 1 . 2]" 1
62 1 24 LEU MD1 1 51 ILE H . . 3.730 2.682 2.415 3.125 . 0 0 "[ . 1 . 2]" 1
63 1 24 LEU H 1 53 PHE H . . 3.760 3.405 2.867 3.759 . 0 0 "[ . 1 . 2]" 1
64 1 53 PHE H 1 53 PHE QD . . 3.700 2.736 2.269 3.089 . 0 0 "[ . 1 . 2]" 1
65 1 23 ASP HA 1 53 PHE H . . 3.160 2.752 2.285 3.159 . 0 0 "[ . 1 . 2]" 1
66 1 52 GLY HA3 1 53 PHE H . . 3.290 2.397 2.221 2.493 . 0 0 "[ . 1 . 2]" 1
67 1 52 GLY HA2 1 53 PHE H . . 3.340 2.747 2.634 2.989 . 0 0 "[ . 1 . 2]" 1
68 1 53 PHE H 1 53 PHE HB2 . . 3.410 2.615 2.467 2.799 . 0 0 "[ . 1 . 2]" 1
69 1 53 PHE H 1 53 PHE HB3 . . 3.920 3.674 3.636 3.759 . 0 0 "[ . 1 . 2]" 1
70 1 36 GLU H 1 44 LYS H . . 3.840 3.408 3.177 3.657 . 0 0 "[ . 1 . 2]" 1
71 1 43 TRP HA 1 44 LYS H . . 3.190 2.355 2.195 2.602 . 0 0 "[ . 1 . 2]" 1
72 1 43 TRP HB3 1 44 LYS H . . 3.430 2.585 2.034 3.078 . 0 0 "[ . 1 . 2]" 1
73 1 36 GLU HB2 1 44 LYS H . . 4.760 4.562 3.817 4.763 0.003 10 0 "[ . 1 . 2]" 1
74 1 44 LYS H 1 44 LYS HB2 . . 3.650 2.816 2.516 3.106 . 0 0 "[ . 1 . 2]" 1
75 1 44 LYS H 1 44 LYS HB3 . . 3.650 2.637 2.431 2.800 . 0 0 "[ . 1 . 2]" 1
76 1 19 GLN H 1 20 GLU H . . 2.870 2.572 2.424 2.721 . 0 0 "[ . 1 . 2]" 1
77 1 18 PRO HA 1 20 GLU H . . 3.820 3.661 3.456 3.814 . 0 0 "[ . 1 . 2]" 1
78 1 19 GLN HB2 1 20 GLU H . . 4.390 3.472 2.667 4.103 . 0 0 "[ . 1 . 2]" 1
79 1 19 GLN HB3 1 20 GLU H . . 4.390 3.235 2.553 4.011 . 0 0 "[ . 1 . 2]" 1
80 1 58 PHE H 1 58 PHE QD . . 3.710 2.571 2.284 2.924 . 0 0 "[ . 1 . 2]" 1
81 1 58 PHE H 1 58 PHE HB3 . . 3.550 3.521 3.489 3.552 0.002 2 0 "[ . 1 . 2]" 1
82 1 58 PHE H 1 58 PHE HB2 . . 3.250 2.250 2.192 2.334 . 0 0 "[ . 1 . 2]" 1
83 1 55 PRO HB2 1 58 PHE H . . 3.850 2.960 2.731 3.255 . 0 0 "[ . 1 . 2]" 1
84 1 40 GLU H 1 40 GLU HB2 . . 3.840 2.944 2.395 3.800 . 0 0 "[ . 1 . 2]" 1
85 1 39 ASN HA 1 40 GLU H . . 3.210 2.488 2.141 2.656 . 0 0 "[ . 1 . 2]" 1
86 1 40 GLU H 1 40 GLU HB3 . . 3.840 3.238 2.432 3.794 . 0 0 "[ . 1 . 2]" 1
87 1 11 VAL H 1 60 GLN H . . 3.420 3.057 2.676 3.276 . 0 0 "[ . 1 . 2]" 1
88 1 10 TYR HB3 1 11 VAL H . . 3.510 2.987 2.386 3.362 . 0 0 "[ . 1 . 2]" 1
89 1 11 VAL H 1 11 VAL HB . . 3.850 2.922 2.768 3.210 . 0 0 "[ . 1 . 2]" 1
90 1 11 VAL H 1 11 VAL MG1 . . 3.210 2.004 1.893 2.205 . 0 0 "[ . 1 . 2]" 1
91 1 10 TYR HB3 1 60 GLN H . . 4.170 3.498 2.799 4.127 . 0 0 "[ . 1 . 2]" 1
92 1 59 VAL HB 1 60 GLN H . . 3.250 2.389 2.163 2.724 . 0 0 "[ . 1 . 2]" 1
93 1 60 GLN H 1 60 GLN HB3 . . 3.960 2.793 2.523 3.198 . 0 0 "[ . 1 . 2]" 1
94 1 59 VAL MG2 1 60 GLN H . . 4.010 3.272 2.832 3.752 . 0 0 "[ . 1 . 2]" 1
95 1 13 LEU MD2 1 60 GLN H . . 4.260 3.586 2.743 4.090 . 0 0 "[ . 1 . 2]" 1
96 1 59 VAL MG1 1 60 GLN H . . 4.460 3.732 3.665 3.850 . 0 0 "[ . 1 . 2]" 1
97 1 59 VAL HA 1 60 GLN H . . 2.980 2.420 2.273 2.557 . 0 0 "[ . 1 . 2]" 1
98 1 60 GLN H 1 60 GLN HB2 . . 3.960 3.235 2.896 3.918 . 0 0 "[ . 1 . 2]" 1
99 1 45 GLY HA2 1 46 LYS H . . 3.320 2.624 2.434 2.802 . 0 0 "[ . 1 . 2]" 1
100 1 33 THR HB 1 46 LYS H . . 4.090 2.818 2.432 3.059 . 0 0 "[ . 1 . 2]" 1
101 1 45 GLY HA3 1 46 LYS H . . 3.300 2.508 2.348 2.699 . 0 0 "[ . 1 . 2]" 1
102 1 46 LYS H 1 46 LYS HB3 . . 3.570 2.703 2.516 2.837 . 0 0 "[ . 1 . 2]" 1
103 1 35 LEU HG 1 46 LYS H . . 4.140 3.207 2.750 3.702 . 0 0 "[ . 1 . 2]" 1
104 1 46 LYS H 1 46 LYS HB2 . . 3.860 3.245 3.059 3.466 . 0 0 "[ . 1 . 2]" 1
105 1 46 LYS H 1 46 LYS QG . . 4.150 4.053 3.952 4.138 . 0 0 "[ . 1 . 2]" 1
106 1 32 ILE MG 1 46 LYS H . . 3.530 2.512 2.122 3.063 . 0 0 "[ . 1 . 2]" 1
107 1 15 LYS H 1 28 PRO HD3 . . 3.910 2.696 2.532 2.885 . 0 0 "[ . 1 . 2]" 1
108 1 14 TYR HB3 1 15 LYS H . . 3.260 2.583 2.442 2.759 . 0 0 "[ . 1 . 2]" 1
109 1 15 LYS H 1 15 LYS QB . . 2.840 2.211 2.157 2.252 . 0 0 "[ . 1 . 2]" 1
110 1 15 LYS H 1 28 PRO HG3 . . 3.660 3.492 3.226 3.654 . 0 0 "[ . 1 . 2]" 1
111 1 36 GLU H 1 44 LYS HB3 . . 4.520 2.481 2.087 2.829 . 0 0 "[ . 1 . 2]" 1
112 1 43 TRP H 1 54 PHE H . . 3.670 3.535 3.297 3.674 0.004 19 0 "[ . 1 . 2]" 1
113 1 42 TRP HE3 1 54 PHE H . . 4.010 3.121 2.752 3.549 . 0 0 "[ . 1 . 2]" 1
114 1 54 PHE H 1 54 PHE QD . . 3.630 3.274 2.989 3.588 . 0 0 "[ . 1 . 2]" 1
115 1 53 PHE HA 1 54 PHE H . . 3.000 2.376 2.294 2.471 . 0 0 "[ . 1 . 2]" 1
116 1 53 PHE HB2 1 54 PHE H . . 4.240 3.535 3.362 3.786 . 0 0 "[ . 1 . 2]" 1
117 1 53 PHE HB3 1 54 PHE H . . 3.620 2.544 2.280 2.742 . 0 0 "[ . 1 . 2]" 1
118 1 21 ASN QB 1 22 GLU H . . 3.810 2.626 2.221 3.814 0.004 20 0 "[ . 1 . 2]" 1
119 1 22 GLU H 1 22 GLU HB2 . . 3.880 2.808 2.533 3.615 . 0 0 "[ . 1 . 2]" 1
120 1 22 GLU H 1 22 GLU HG2 . . 4.360 2.692 1.953 3.911 . 0 0 "[ . 1 . 2]" 1
121 1 22 GLU H 1 22 GLU HB3 . . 3.880 3.475 2.482 3.842 . 0 0 "[ . 1 . 2]" 1
122 1 45 GLY H 1 54 PHE QE . . 3.860 2.484 1.977 3.132 . 0 0 "[ . 1 . 2]" 1
123 1 45 GLY H 1 53 PHE HA . . 4.240 3.709 3.495 4.008 . 0 0 "[ . 1 . 2]" 1
124 1 44 LYS HG2 1 45 GLY H . . 4.130 2.773 2.000 4.103 . 0 0 "[ . 1 . 2]" 1
125 1 44 LYS HG3 1 45 GLY H . . 4.130 2.822 2.018 3.748 . 0 0 "[ . 1 . 2]" 1
126 1 41 ASP H 1 42 TRP H . . 3.320 2.857 2.639 3.079 . 0 0 "[ . 1 . 2]" 1
127 1 41 ASP H 1 41 ASP HB2 . . 4.120 2.591 2.280 3.591 . 0 0 "[ . 1 . 2]" 1
128 1 38 SER H 1 39 ASN H . . 3.510 2.592 2.208 2.857 . 0 0 "[ . 1 . 2]" 1
129 1 37 ASP H 1 38 SER H . . 3.360 2.504 2.157 2.829 . 0 0 "[ . 1 . 2]" 1
130 1 37 ASP HA 1 38 SER H . . 3.220 2.919 2.750 3.145 . 0 0 "[ . 1 . 2]" 1
131 1 38 SER H 1 38 SER HB2 . . 3.760 2.541 2.236 3.661 . 0 0 "[ . 1 . 2]" 1
132 1 38 SER H 1 38 SER HB3 . . 3.760 2.860 2.328 3.583 . 0 0 "[ . 1 . 2]" 1
133 1 8 ASN HA 1 9 THR H . . 3.090 2.159 2.139 2.226 . 0 0 "[ . 1 . 2]" 1
134 1 9 THR H 1 9 THR HB . . 3.750 3.163 2.657 3.768 0.018 12 0 "[ . 1 . 2]" 1
135 1 8 ASN HB3 1 9 THR H . . 3.750 3.377 2.924 3.750 . 9 0 "[ . 1 . 2]" 1
136 1 9 THR H 1 9 THR MG . . 3.850 3.498 2.893 3.856 0.006 13 0 "[ . 1 . 2]" 1
137 1 28 PRO HB2 1 29 GLY H . . 4.610 4.116 3.923 4.215 . 0 0 "[ . 1 . 2]" 1
138 1 13 LEU H 1 14 TYR H . . 2.980 2.415 1.935 2.665 . 0 0 "[ . 1 . 2]" 1
139 1 12 ALA HA 1 14 TYR H . . 4.110 3.933 3.688 4.111 0.001 12 0 "[ . 1 . 2]" 1
140 1 14 TYR H 1 14 TYR HB3 . . 4.020 3.884 3.835 3.958 . 0 0 "[ . 1 . 2]" 1
141 1 14 TYR H 1 14 TYR HB2 . . 3.490 2.992 2.901 3.126 . 0 0 "[ . 1 . 2]" 1
142 1 12 ALA MB 1 14 TYR H . . 3.610 3.356 3.021 3.596 . 0 0 "[ . 1 . 2]" 1
143 1 13 LEU HB2 1 14 TYR H . . 3.660 2.626 2.386 2.997 . 0 0 "[ . 1 . 2]" 1
144 1 13 LEU HB3 1 14 TYR H . . 4.090 3.744 3.522 4.036 . 0 0 "[ . 1 . 2]" 1
145 1 45 GLY H 1 52 GLY H . . 3.910 3.848 3.544 3.916 0.006 15 0 "[ . 1 . 2]" 1
146 1 46 LYS HA 1 52 GLY H . . 4.160 3.950 3.758 4.109 . 0 0 "[ . 1 . 2]" 1
147 1 51 ILE HA 1 52 GLY H . . 2.820 2.286 2.227 2.396 . 0 0 "[ . 1 . 2]" 1
148 1 51 ILE HB 1 52 GLY H . . 4.120 3.750 3.523 3.960 . 0 0 "[ . 1 . 2]" 1
149 1 24 LEU HB2 1 52 GLY H . . 3.720 2.982 2.544 3.291 . 0 0 "[ . 1 . 2]" 1
150 1 51 ILE MD 1 52 GLY H . . 4.850 4.779 4.503 4.898 0.048 14 0 "[ . 1 . 2]" 1
151 1 51 ILE MG 1 52 GLY H . . 3.090 1.924 1.808 2.047 . 0 0 "[ . 1 . 2]" 1
152 1 24 LEU MD2 1 52 GLY H . . 3.880 3.088 2.735 3.405 . 0 0 "[ . 1 . 2]" 1
153 1 32 ILE H 1 32 ILE HB . . 3.330 2.605 2.493 2.752 . 0 0 "[ . 1 . 2]" 1
154 1 10 TYR QD 1 34 LEU H . . 4.180 3.132 2.698 3.453 . 0 0 "[ . 1 . 2]" 1
155 1 9 THR HA 1 34 LEU H . . 4.170 3.039 2.692 3.488 . 0 0 "[ . 1 . 2]" 1
156 1 34 LEU H 1 34 LEU HB2 . . 3.380 2.293 2.193 2.452 . 0 0 "[ . 1 . 2]" 1
157 1 34 LEU H 1 34 LEU HB3 . . 3.380 2.743 2.563 2.873 . 0 0 "[ . 1 . 2]" 1
158 1 9 THR MG 1 34 LEU H . . 4.770 4.301 3.800 4.655 . 0 0 "[ . 1 . 2]" 1
159 1 16 PHE QD 1 17 VAL H . . 3.950 3.123 2.706 3.291 . 0 0 "[ . 1 . 2]" 1
160 1 16 PHE HA 1 17 VAL H . . 2.780 2.220 2.152 2.286 . 0 0 "[ . 1 . 2]" 1
161 1 17 VAL H 1 17 VAL HB . . 3.120 2.634 2.549 2.727 . 0 0 "[ . 1 . 2]" 1
162 1 17 VAL H 1 17 VAL MG2 . . 3.280 2.792 2.578 2.922 . 0 0 "[ . 1 . 2]" 1
163 1 17 VAL H 1 17 VAL MG1 . . 4.000 3.848 3.810 3.889 . 0 0 "[ . 1 . 2]" 1
164 1 56 ALA H 1 56 ALA MB . . 3.200 2.138 2.061 2.243 . 0 0 "[ . 1 . 2]" 1
165 1 11 VAL HA 1 12 ALA H . . 2.780 2.184 2.140 2.259 . 0 0 "[ . 1 . 2]" 1
166 1 12 ALA H 1 12 ALA MB . . 2.980 2.107 2.039 2.187 . 0 0 "[ . 1 . 2]" 1
167 1 11 VAL MG2 1 12 ALA H . . 3.300 2.390 1.978 2.991 . 0 0 "[ . 1 . 2]" 1
168 1 60 GLN HA 1 61 ARG H . . 3.020 2.162 2.140 2.245 . 0 0 "[ . 1 . 2]" 1
169 1 60 GLN QG 1 61 ARG H . . 4.020 3.003 2.560 3.776 . 0 0 "[ . 1 . 2]" 1
170 1 61 ARG H 1 61 ARG HB2 . . 3.480 2.456 2.176 2.734 . 0 0 "[ . 1 . 2]" 1
171 1 61 ARG H 1 61 ARG HB3 . . 3.480 2.636 2.354 2.986 . 0 0 "[ . 1 . 2]" 1
172 1 10 TYR HA 1 62 LEU H . . 3.290 3.062 2.773 3.285 . 0 0 "[ . 1 . 2]" 1
173 1 61 ARG HA 1 62 LEU H . . 2.980 2.173 2.146 2.209 . 0 0 "[ . 1 . 2]" 1
174 1 61 ARG HG2 1 62 LEU H . . 4.180 3.048 2.451 3.649 . 0 0 "[ . 1 . 2]" 1
175 1 62 LEU H 1 62 LEU HG . . 4.630 3.438 3.037 4.450 . 0 0 "[ . 1 . 2]" 1
176 1 43 TRP HE1 1 56 ALA MB . . 4.400 4.274 3.953 4.402 0.002 19 0 "[ . 1 . 2]" 1
177 1 16 PHE QE 1 24 LEU H . . 4.010 3.567 3.337 3.983 . 0 0 "[ . 1 . 2]" 1
178 1 23 ASP HB3 1 24 LEU H . . 4.330 2.487 2.418 2.770 . 0 0 "[ . 1 . 2]" 1
179 1 24 LEU H 1 24 LEU HB3 . . 3.360 2.407 2.303 2.484 . 0 0 "[ . 1 . 2]" 1
180 1 24 LEU H 1 24 LEU HB2 . . 3.550 3.326 3.198 3.412 . 0 0 "[ . 1 . 2]" 1
181 1 58 PHE H 1 59 VAL H . . 3.140 2.316 2.089 2.539 . 0 0 "[ . 1 . 2]" 1
182 1 57 ASN H 1 59 VAL H . . 4.340 4.208 4.071 4.336 . 0 0 "[ . 1 . 2]" 1
183 1 59 VAL H 1 59 VAL MG2 . . 3.020 2.165 1.916 2.379 . 0 0 "[ . 1 . 2]" 1
184 1 59 VAL H 1 59 VAL MG1 . . 3.570 2.537 2.320 3.131 . 0 0 "[ . 1 . 2]" 1
185 1 47 ILE H 1 47 ILE HB . . 3.610 2.650 2.442 2.946 . 0 0 "[ . 1 . 2]" 1
186 1 46 LYS QG 1 47 ILE H . . 3.790 2.691 1.871 3.083 . 0 0 "[ . 1 . 2]" 1
187 1 24 LEU MD1 1 47 ILE H . . 3.820 3.606 3.234 3.827 0.007 20 0 "[ . 1 . 2]" 1
188 1 43 TRP H 1 43 TRP HD1 . . 4.210 4.132 4.032 4.211 0.001 11 0 "[ . 1 . 2]" 1
189 1 42 TRP HB2 1 43 TRP H . . 4.840 4.091 3.896 4.344 . 0 0 "[ . 1 . 2]" 1
190 1 43 TRP H 1 43 TRP HB3 . . 3.900 3.718 3.605 3.806 . 0 0 "[ . 1 . 2]" 1
191 1 43 TRP H 1 43 TRP HB2 . . 3.410 2.543 2.361 2.691 . 0 0 "[ . 1 . 2]" 1
192 1 43 TRP H 1 56 ALA H . . 4.100 3.625 3.194 3.882 . 0 0 "[ . 1 . 2]" 1
193 1 16 PHE H 1 16 PHE HB2 . . 4.030 2.805 2.655 2.985 . 0 0 "[ . 1 . 2]" 1
194 1 16 PHE H 1 16 PHE HB3 . . 3.780 2.623 2.554 2.724 . 0 0 "[ . 1 . 2]" 1
195 1 15 LYS QB 1 16 PHE H . . 4.280 3.696 3.532 3.863 . 0 0 "[ . 1 . 2]" 1
196 1 15 LYS HG3 1 16 PHE H . . 4.240 2.988 2.332 3.921 . 0 0 "[ . 1 . 2]" 1
197 1 16 PHE H 1 26 MET HB2 . . 4.380 4.191 3.981 4.363 . 0 0 "[ . 1 . 2]" 1
198 1 35 LEU H 1 36 GLU H . . 3.430 2.374 2.073 2.613 . 0 0 "[ . 1 . 2]" 1
199 1 35 LEU H 1 35 LEU HG . . 3.810 2.494 2.244 2.921 . 0 0 "[ . 1 . 2]" 1
200 1 34 LEU HG 1 35 LEU H . . 3.990 3.348 3.100 3.695 . 0 0 "[ . 1 . 2]" 1
201 1 8 ASN HB2 1 9 THR H . . 4.430 4.069 3.001 4.330 . 0 0 "[ . 1 . 2]" 1
202 1 10 TYR H 1 32 ILE HB . . 4.180 3.692 3.435 4.123 . 0 0 "[ . 1 . 2]" 1
203 1 11 VAL H 1 62 LEU HG . . 4.480 3.118 2.338 4.130 . 0 0 "[ . 1 . 2]" 1
204 1 11 VAL H 1 59 VAL HB . . 4.110 3.662 3.113 3.899 . 0 0 "[ . 1 . 2]" 1
205 1 10 TYR HB2 1 11 VAL H . . 4.410 4.093 3.671 4.320 . 0 0 "[ . 1 . 2]" 1
206 1 10 TYR QD 1 11 VAL H . . 4.330 4.146 3.837 4.328 . 0 0 "[ . 1 . 2]" 1
207 1 11 VAL HB 1 12 ALA H . . 4.480 4.150 3.982 4.390 . 0 0 "[ . 1 . 2]" 1
208 1 12 ALA H 1 30 ASP H . . 4.100 3.490 2.704 4.096 . 0 0 "[ . 1 . 2]" 1
209 1 13 LEU H 1 13 LEU HB3 . . 4.090 3.625 3.587 3.751 . 0 0 "[ . 1 . 2]" 1
210 1 12 ALA MB 1 13 LEU H . . 3.940 3.135 2.726 3.361 . 0 0 "[ . 1 . 2]" 1
211 1 14 TYR H 1 58 PHE HB3 . . 4.270 3.562 3.385 3.718 . 0 0 "[ . 1 . 2]" 1
212 1 14 TYR H 1 28 PRO HA . . 4.460 4.007 3.517 4.333 . 0 0 "[ . 1 . 2]" 1
213 1 13 LEU MD2 1 14 TYR H . . 5.330 4.750 4.647 4.911 . 0 0 "[ . 1 . 2]" 1
214 1 14 TYR H 1 59 VAL MG1 . . 5.500 4.744 4.576 4.950 . 0 0 "[ . 1 . 2]" 1
215 1 15 LYS H 1 15 LYS HG2 . . 4.450 4.279 4.181 4.423 . 0 0 "[ . 1 . 2]" 1
216 1 19 GLN H 1 23 ASP HB2 . . 4.170 3.308 2.955 3.483 . 0 0 "[ . 1 . 2]" 1
217 1 16 PHE QE 1 19 GLN H . . 4.440 3.782 3.548 3.901 . 0 0 "[ . 1 . 2]" 1
218 1 20 GLU H 1 23 ASP H . . 4.170 3.532 3.315 3.692 . 0 0 "[ . 1 . 2]" 1
219 1 24 LEU H 1 53 PHE HB2 . . 4.990 4.278 3.992 4.669 . 0 0 "[ . 1 . 2]" 1
220 1 24 LEU HB2 1 25 GLU H . . 4.710 3.828 3.669 4.138 . 0 0 "[ . 1 . 2]" 1
221 1 25 GLU H 1 47 ILE MD . . 5.150 4.129 3.881 4.445 . 0 0 "[ . 1 . 2]" 1
222 1 16 PHE QD 1 26 MET H . . 4.450 3.782 3.519 4.082 . 0 0 "[ . 1 . 2]" 1
223 1 18 PRO HD3 1 26 MET H . . 4.350 3.779 3.640 3.911 . 0 0 "[ . 1 . 2]" 1
224 1 27 ARG H 1 47 ILE MD . . 4.420 3.883 3.630 4.094 . 0 0 "[ . 1 . 2]" 1
225 1 26 MET HG2 1 27 ARG H . . 5.060 4.941 4.820 5.062 0.002 3 0 "[ . 1 . 2]" 1
226 1 27 ARG H 1 30 ASP HB3 . . 4.390 3.832 3.554 4.042 . 0 0 "[ . 1 . 2]" 1
227 1 15 LYS HA 1 27 ARG H . . 4.670 4.385 4.102 4.671 0.001 17 0 "[ . 1 . 2]" 1
228 1 32 ILE H 1 32 ILE MG . . 4.350 3.828 3.783 3.880 . 0 0 "[ . 1 . 2]" 1
229 1 11 VAL HA 1 32 ILE H . . 4.240 3.217 2.800 3.640 . 0 0 "[ . 1 . 2]" 1
230 1 32 ILE HB 1 33 THR H . . 4.610 4.079 3.944 4.392 . 0 0 "[ . 1 . 2]" 1
231 1 35 LEU H 1 35 LEU MD1 . . 4.830 3.645 3.268 3.907 . 0 0 "[ . 1 . 2]" 1
232 1 36 GLU H 1 44 LYS HB2 . . 4.520 4.139 3.772 4.518 . 0 0 "[ . 1 . 2]" 1
233 1 36 GLU HB2 1 38 SER H . . 4.990 4.827 4.252 4.982 . 0 0 "[ . 1 . 2]" 1
234 1 36 GLU HB3 1 38 SER H . . 4.200 3.753 2.631 4.118 . 0 0 "[ . 1 . 2]" 1
235 1 36 GLU HA 1 38 SER H . . 4.330 3.772 3.453 4.091 . 0 0 "[ . 1 . 2]" 1
236 1 39 ASN H 1 43 TRP HD1 . . 5.020 3.338 2.933 3.721 . 0 0 "[ . 1 . 2]" 1
237 1 39 ASN HB3 1 40 GLU H . . 4.530 2.847 1.943 4.172 . 0 0 "[ . 1 . 2]" 1
238 1 39 ASN HB2 1 40 GLU H . . 4.530 3.772 3.091 4.541 0.011 19 0 "[ . 1 . 2]" 1
239 1 40 GLU H 1 41 ASP H . . 3.620 2.293 1.850 3.102 . 0 0 "[ . 1 . 2]" 1
240 1 40 GLU HB2 1 41 ASP H . . 4.310 3.118 2.196 4.098 . 0 0 "[ . 1 . 2]" 1
241 1 41 ASP HB3 1 42 TRP H . . 4.460 3.098 2.106 3.749 . 0 0 "[ . 1 . 2]" 1
242 1 42 TRP H 1 42 TRP HD1 . . 4.370 2.643 2.319 3.010 . 0 0 "[ . 1 . 2]" 1
243 1 42 TRP H 1 43 TRP HD1 . . 5.500 4.707 4.411 4.945 . 0 0 "[ . 1 . 2]" 1
244 1 43 TRP H 1 55 PRO HA . . 4.470 3.465 3.208 3.819 . 0 0 "[ . 1 . 2]" 1
245 1 34 LEU MD1 1 44 LYS H . . 4.000 3.260 2.865 3.740 . 0 0 "[ . 1 . 2]" 1
246 1 43 TRP HD1 1 44 LYS H . . 4.470 3.972 3.680 4.237 . 0 0 "[ . 1 . 2]" 1
247 1 24 LEU MD2 1 45 GLY H . . 4.330 3.316 2.757 3.812 . 0 0 "[ . 1 . 2]" 1
248 1 35 LEU MD1 1 46 LYS H . . 4.500 3.409 2.683 3.887 . 0 0 "[ . 1 . 2]" 1
249 1 47 ILE H 1 47 ILE MG . . 4.250 3.847 3.759 3.978 . 0 0 "[ . 1 . 2]" 1
250 1 48 GLN HB2 1 50 ARG H . . 4.150 3.902 3.799 4.056 . 0 0 "[ . 1 . 2]" 1
251 1 49 ASP QB 1 50 ARG H . . 4.340 3.671 3.539 3.993 . 0 0 "[ . 1 . 2]" 1
252 1 24 LEU HB2 1 53 PHE H . . 4.380 3.453 3.175 3.709 . 0 0 "[ . 1 . 2]" 1
253 1 56 ALA H 1 57 ASN H . . 4.290 2.479 2.377 2.643 . 0 0 "[ . 1 . 2]" 1
254 1 58 PHE H 1 59 VAL MG1 . . 4.450 3.927 3.577 4.178 . 0 0 "[ . 1 . 2]" 1
255 1 56 ALA HA 1 58 PHE H . . 4.570 3.623 3.379 3.850 . 0 0 "[ . 1 . 2]" 1
256 1 57 ASN H 1 58 PHE H . . 3.780 2.567 2.382 2.675 . 0 0 "[ . 1 . 2]" 1
257 1 13 LEU HG 1 60 GLN H . . 4.160 3.211 2.649 3.688 . 0 0 "[ . 1 . 2]" 1
258 1 60 GLN H 1 60 GLN QG . . 4.330 3.966 2.603 4.241 . 0 0 "[ . 1 . 2]" 1
259 1 12 ALA HA 1 60 GLN H . . 4.450 4.103 3.717 4.428 . 0 0 "[ . 1 . 2]" 1
260 1 10 TYR QD 1 60 GLN H . . 4.260 3.726 3.183 4.174 . 0 0 "[ . 1 . 2]" 1
261 1 61 ARG H 1 61 ARG HG2 . . 4.750 4.466 4.336 4.579 . 0 0 "[ . 1 . 2]" 1
262 1 10 TYR QD 1 61 ARG H . . 4.330 3.315 2.887 3.757 . 0 0 "[ . 1 . 2]" 1
263 1 10 TYR QE 1 61 ARG H . . 4.550 3.360 2.805 3.959 . 0 0 "[ . 1 . 2]" 1
264 1 61 ARG H 1 62 LEU H . . 4.730 4.571 4.519 4.613 . 0 0 "[ . 1 . 2]" 1
265 1 60 GLN H 1 61 ARG H . . 4.460 4.215 3.952 4.366 . 0 0 "[ . 1 . 2]" 1
266 1 62 LEU H 1 62 LEU MD1 . . 5.090 3.843 3.490 4.295 . 0 0 "[ . 1 . 2]" 1
267 1 62 LEU H 1 62 LEU MD2 . . 5.090 4.005 2.156 4.333 . 0 0 "[ . 1 . 2]" 1
268 1 61 ARG HG3 1 62 LEU H . . 4.180 3.201 2.564 4.176 . 0 0 "[ . 1 . 2]" 1
269 1 61 ARG HB3 1 62 LEU H . . 4.620 4.088 3.788 4.270 . 0 0 "[ . 1 . 2]" 1
270 1 33 THR MG 1 46 LYS H . . 4.760 4.041 3.569 4.393 . 0 0 "[ . 1 . 2]" 1
271 1 47 ILE H 1 50 ARG H . . 4.040 3.741 3.528 3.867 . 0 0 "[ . 1 . 2]" 1
272 1 24 LEU MD2 1 47 ILE H . . 4.660 3.887 3.394 4.438 . 0 0 "[ . 1 . 2]" 1
273 1 46 LYS QG 1 48 GLN H . . 5.160 5.004 4.842 5.098 . 0 0 "[ . 1 . 2]" 1
274 1 45 GLY H 1 54 PHE QD . . 4.130 3.304 2.966 3.648 . 0 0 "[ . 1 . 2]" 1
275 1 36 GLU HB3 1 44 LYS H . . 4.420 3.286 2.671 4.423 0.003 19 0 "[ . 1 . 2]" 1
276 1 43 TRP H 1 56 ALA MB . . 4.730 3.652 3.257 4.053 . 0 0 "[ . 1 . 2]" 1
277 1 38 SER H 1 43 TRP HA . . 5.440 5.166 4.646 5.443 0.003 19 0 "[ . 1 . 2]" 1
278 1 36 GLU HB3 1 37 ASP H . . 4.300 3.949 3.330 4.214 . 0 0 "[ . 1 . 2]" 1
279 1 34 LEU H 1 34 LEU MD2 . . 4.890 4.207 4.144 4.256 . 0 0 "[ . 1 . 2]" 1
280 1 32 ILE MG 1 34 LEU H . . 4.610 3.833 3.564 4.247 . 0 0 "[ . 1 . 2]" 1
281 1 34 LEU H 1 34 LEU MD1 . . 4.540 3.775 3.588 4.025 . 0 0 "[ . 1 . 2]" 1
282 1 10 TYR QE 1 34 LEU H . . 4.560 4.377 4.121 4.562 0.002 17 0 "[ . 1 . 2]" 1
283 1 11 VAL MG2 1 30 ASP H . . 4.460 3.386 2.793 3.935 . 0 0 "[ . 1 . 2]" 1
284 1 28 PRO HB3 1 29 GLY H . . 4.610 4.433 4.280 4.516 . 0 0 "[ . 1 . 2]" 1
285 1 27 ARG H 1 30 ASP H . . 4.540 4.086 3.814 4.434 . 0 0 "[ . 1 . 2]" 1
286 1 18 PRO HB3 1 25 GLU H . . 4.260 4.149 3.890 4.268 0.008 6 0 "[ . 1 . 2]" 1
287 1 24 LEU H 1 25 GLU H . . 4.920 4.438 4.327 4.499 . 0 0 "[ . 1 . 2]" 1
288 1 25 GLU H 1 25 GLU HG3 . . 4.780 4.446 4.269 4.574 . 0 0 "[ . 1 . 2]" 1
289 1 18 PRO HD3 1 25 GLU H . . 4.670 4.093 3.810 4.348 . 0 0 "[ . 1 . 2]" 1
290 1 24 LEU H 1 24 LEU MD2 . . 4.860 4.255 4.152 4.369 . 0 0 "[ . 1 . 2]" 1
291 1 24 LEU H 1 52 GLY HA3 . . 4.730 3.871 3.580 4.025 . 0 0 "[ . 1 . 2]" 1
292 1 18 PRO HB2 1 20 GLU H . . 4.380 3.552 3.124 3.986 . 0 0 "[ . 1 . 2]" 1
293 1 19 GLN H 1 19 GLN HG3 . . 4.530 3.674 2.127 4.536 0.006 3 0 "[ . 1 . 2]" 1
294 1 19 GLN H 1 19 GLN HG2 . . 4.530 3.813 2.035 4.531 0.001 19 0 "[ . 1 . 2]" 1
295 1 19 GLN H 1 23 ASP HB3 . . 4.170 3.948 3.594 4.180 0.010 6 0 "[ . 1 . 2]" 1
296 1 18 PRO HB2 1 19 GLN H . . 4.270 3.828 3.637 3.961 . 0 0 "[ . 1 . 2]" 1
297 1 16 PHE HB2 1 17 VAL H . . 4.460 4.126 4.005 4.285 . 0 0 "[ . 1 . 2]" 1
298 1 15 LYS H 1 16 PHE H . . 4.670 4.541 4.422 4.601 . 0 0 "[ . 1 . 2]" 1
299 1 16 PHE H 1 17 VAL H . . 4.770 4.509 4.400 4.585 . 0 0 "[ . 1 . 2]" 1
300 1 16 PHE H 1 26 MET HG3 . . 4.680 2.678 2.413 2.837 . 0 0 "[ . 1 . 2]" 1
301 1 16 PHE H 1 26 MET HG2 . . 4.710 3.697 3.412 4.060 . 0 0 "[ . 1 . 2]" 1
302 1 14 TYR H 1 15 LYS H . . 4.490 4.439 4.393 4.468 . 0 0 "[ . 1 . 2]" 1
303 1 14 TYR QD 1 15 LYS H . . 4.410 4.314 4.226 4.409 . 0 0 "[ . 1 . 2]" 1
304 1 15 LYS H 1 28 PRO HG2 . . 5.140 5.012 4.794 5.144 0.004 11 0 "[ . 1 . 2]" 1
305 1 15 LYS H 1 28 PRO HD2 . . 4.640 4.403 4.198 4.621 . 0 0 "[ . 1 . 2]" 1
306 1 13 LEU HG 1 14 TYR H . . 4.690 4.235 4.095 4.414 . 0 0 "[ . 1 . 2]" 1
307 1 14 TYR H 1 59 VAL HA . . 4.740 4.648 4.247 4.741 0.001 17 0 "[ . 1 . 2]" 1
308 1 14 TYR H 1 58 PHE QD . . 4.640 3.901 3.528 4.176 . 0 0 "[ . 1 . 2]" 1
309 1 12 ALA H 1 30 ASP HB2 . . 4.540 4.183 3.747 4.455 . 0 0 "[ . 1 . 2]" 1
310 1 11 VAL H 1 62 LEU H . . 4.600 4.456 4.139 4.604 0.004 13 0 "[ . 1 . 2]" 1
311 1 11 VAL H 1 32 ILE MD . . 4.970 4.731 4.168 4.973 0.003 11 0 "[ . 1 . 2]" 1
312 1 9 THR H 1 10 TYR H . . 4.820 4.509 4.406 4.544 . 0 0 "[ . 1 . 2]" 1
313 1 46 LYS QG 1 50 ARG H . . 5.130 4.915 4.655 5.135 0.005 19 0 "[ . 1 . 2]" 1
314 1 50 ARG H 1 50 ARG QD . . 4.950 3.793 2.810 4.891 . 0 0 "[ . 1 . 2]" 1
315 1 50 ARG H 1 51 ILE H . . 4.580 4.407 4.181 4.475 . 0 0 "[ . 1 . 2]" 1
316 1 47 ILE H 1 51 ILE H . . 5.100 4.772 4.616 5.112 0.012 14 0 "[ . 1 . 2]" 1
317 1 51 ILE H 1 52 GLY H . . 5.360 4.368 4.283 4.456 . 0 0 "[ . 1 . 2]" 1
318 1 44 LYS HG3 1 52 GLY H . . 5.150 4.172 3.748 4.803 . 0 0 "[ . 1 . 2]" 1
319 1 24 LEU HB3 1 52 GLY H . . 4.920 4.269 3.933 4.534 . 0 0 "[ . 1 . 2]" 1
320 1 43 TRP HB2 1 54 PHE H . . 5.360 5.074 4.742 5.354 . 0 0 "[ . 1 . 2]" 1
321 1 55 PRO HB3 1 58 PHE H . . 4.960 4.671 4.473 4.944 . 0 0 "[ . 1 . 2]" 1
322 1 26 MET ME 1 58 PHE H . . 4.550 3.990 3.731 4.201 . 0 0 "[ . 1 . 2]" 1
323 1 54 PHE QD 1 58 PHE H . . 5.020 4.564 4.115 4.956 . 0 0 "[ . 1 . 2]" 1
324 1 13 LEU HB2 1 59 VAL H . . 5.400 5.095 4.484 5.395 . 0 0 "[ . 1 . 2]" 1
325 1 58 PHE HB2 1 59 VAL H . . 4.530 3.064 2.850 3.896 . 0 0 "[ . 1 . 2]" 1
326 1 58 PHE HB3 1 59 VAL H . . 4.690 3.608 3.443 4.208 . 0 0 "[ . 1 . 2]" 1
327 1 54 PHE QE 1 59 VAL H . . 4.960 4.502 4.045 4.945 . 0 0 "[ . 1 . 2]" 1
328 1 59 VAL H 1 60 GLN H . . 4.800 4.515 4.381 4.550 . 0 0 "[ . 1 . 2]" 1
329 1 61 ARG H 1 61 ARG HG3 . . 4.750 4.410 4.082 4.622 . 0 0 "[ . 1 . 2]" 1
330 1 10 TYR QD 1 62 LEU H . . 4.910 4.125 3.869 4.489 . 0 0 "[ . 1 . 2]" 1
331 1 61 ARG HB2 1 62 LEU H . . 4.620 4.183 4.071 4.402 . 0 0 "[ . 1 . 2]" 1
332 1 41 ASP HB3 1 42 TRP HE1 . . 5.110 3.752 3.398 5.163 0.053 19 0 "[ . 1 . 2]" 1
333 1 13 LEU MD2 1 60 GLN HE22 . . 5.020 4.110 3.256 4.984 . 0 0 "[ . 1 . 2]" 1
334 1 31 ILE H 1 32 ILE H . . 4.650 4.376 4.043 4.601 . 0 0 "[ . 1 . 2]" 1
335 1 10 TYR HB2 1 32 ILE H . . 4.900 4.230 3.628 4.509 . 0 0 "[ . 1 . 2]" 1
336 1 31 ILE MD 1 32 ILE H . . 4.340 3.739 3.384 4.018 . 0 0 "[ . 1 . 2]" 1
337 1 9 THR MG 1 32 ILE H . . 4.870 3.969 2.842 4.865 . 0 0 "[ . 1 . 2]" 1
338 1 32 ILE HA 1 46 LYS H . . 4.800 4.060 3.764 4.607 . 0 0 "[ . 1 . 2]" 1
339 1 33 THR H 1 47 ILE HA . . 4.690 3.972 3.516 4.342 . 0 0 "[ . 1 . 2]" 1
340 1 33 THR H 1 45 GLY HA3 . . 4.900 3.986 3.754 4.444 . 0 0 "[ . 1 . 2]" 1
341 1 8 ASN HB2 1 34 LEU H . . 4.770 4.355 3.960 4.660 . 0 0 "[ . 1 . 2]" 1
342 1 33 THR HB 1 34 LEU H . . 4.940 4.367 4.280 4.419 . 0 0 "[ . 1 . 2]" 1
343 1 51 ILE MG 1 52 GLY HA3 . . 4.850 3.888 3.703 4.086 . 0 0 "[ . 1 . 2]" 1
344 1 24 LEU HB2 1 52 GLY HA3 . . 3.810 2.069 1.996 2.291 . 0 0 "[ . 1 . 2]" 1
345 1 24 LEU HB2 1 52 GLY HA2 . . 3.950 3.484 3.453 3.581 . 0 0 "[ . 1 . 2]" 1
346 1 51 ILE MG 1 52 GLY HA2 . . 4.040 3.081 2.855 3.312 . 0 0 "[ . 1 . 2]" 1
347 1 26 MET HB3 1 47 ILE MD . . 3.770 2.263 2.092 2.406 . 0 0 "[ . 1 . 2]" 1
348 1 35 LEU H 1 45 GLY HA2 . . 3.620 2.177 1.900 2.493 . 0 0 "[ . 1 . 2]" 1
349 1 35 LEU HG 1 45 GLY HA2 . . 3.690 2.225 2.032 2.392 . 0 0 "[ . 1 . 2]" 1
350 1 35 LEU MD1 1 45 GLY HA2 . . 4.170 2.924 2.416 3.261 . 0 0 "[ . 1 . 2]" 1
351 1 32 ILE MG 1 45 GLY HA2 . . 3.830 3.379 3.032 3.671 . 0 0 "[ . 1 . 2]" 1
352 1 35 LEU H 1 45 GLY HA3 . . 3.830 3.617 3.337 3.810 . 0 0 "[ . 1 . 2]" 1
353 1 45 GLY HA3 1 54 PHE QE . . 3.530 2.077 1.995 2.318 . 0 0 "[ . 1 . 2]" 1
354 1 34 LEU HA 1 45 GLY HA3 . . 3.940 3.226 2.822 3.648 . 0 0 "[ . 1 . 2]" 1
355 1 35 LEU HG 1 45 GLY HA3 . . 3.990 3.823 3.616 3.984 . 0 0 "[ . 1 . 2]" 1
356 1 11 VAL MG2 1 29 GLY HA3 . . 4.410 4.164 3.824 4.346 . 0 0 "[ . 1 . 2]" 1
357 1 64 GLY HA2 1 65 PRO QD . . 3.170 2.239 2.010 2.683 . 0 0 "[ . 1 . 2]" 1
358 1 64 GLY HA3 1 65 PRO QD . . 3.170 2.396 1.936 2.706 . 0 0 "[ . 1 . 2]" 1
359 1 10 TYR QE 1 34 LEU HB2 . . 4.070 2.832 2.512 3.169 . 0 0 "[ . 1 . 2]" 1
360 1 10 TYR QD 1 34 LEU HB3 . . 4.490 3.670 3.053 4.224 . 0 0 "[ . 1 . 2]" 1
361 1 16 PHE HB2 1 58 PHE QE . . 4.330 3.633 3.334 3.865 . 0 0 "[ . 1 . 2]" 1
362 1 27 ARG HB2 1 27 ARG QD . . 3.650 2.595 2.141 3.292 . 0 0 "[ . 1 . 2]" 1
363 1 27 ARG HB3 1 27 ARG QD . . 3.650 2.508 2.117 3.470 . 0 0 "[ . 1 . 2]" 1
364 1 27 ARG HA 1 27 ARG QD . . 4.230 3.894 1.993 4.240 0.010 14 0 "[ . 1 . 2]" 1
365 1 61 ARG HB2 1 61 ARG QD . . 3.680 2.490 2.100 3.243 . 0 0 "[ . 1 . 2]" 1
366 1 61 ARG HB3 1 61 ARG QD . . 3.680 2.595 2.109 3.103 . 0 0 "[ . 1 . 2]" 1
367 1 10 TYR HB2 1 59 VAL HB . . 4.040 3.677 3.358 3.875 . 0 0 "[ . 1 . 2]" 1
368 1 13 LEU HB2 1 13 LEU MD1 . . 3.510 2.175 2.006 2.321 . 0 0 "[ . 1 . 2]" 1
369 1 11 VAL HA 1 31 ILE MD . . 3.990 3.333 2.840 3.687 . 0 0 "[ . 1 . 2]" 1
370 1 31 ILE HB 1 31 ILE MD . . 3.510 3.189 2.704 3.230 . 0 0 "[ . 1 . 2]" 1
371 1 41 ASP HB2 1 42 TRP HD1 . . 4.110 2.534 1.960 3.641 . 0 0 "[ . 1 . 2]" 1
372 1 10 TYR HB3 1 32 ILE HB . . 4.220 3.983 3.640 4.119 . 0 0 "[ . 1 . 2]" 1
373 1 10 TYR HB2 1 32 ILE HB . . 3.620 2.972 2.634 3.121 . 0 0 "[ . 1 . 2]" 1
374 1 42 TRP HE3 1 53 PHE HB2 . . 4.370 3.562 3.199 3.889 . 0 0 "[ . 1 . 2]" 1
375 1 42 TRP HE3 1 53 PHE HB3 . . 3.950 3.184 2.905 3.707 . 0 0 "[ . 1 . 2]" 1
376 1 23 ASP HB2 1 24 LEU H . . 4.330 3.718 3.632 3.978 . 0 0 "[ . 1 . 2]" 1
377 1 14 TYR HB2 1 15 LYS H . . 4.270 3.246 3.072 3.486 . 0 0 "[ . 1 . 2]" 1
378 1 14 TYR HB2 1 58 PHE QD . . 4.310 3.247 2.785 3.656 . 0 0 "[ . 1 . 2]" 1
379 1 15 LYS HE2 1 15 LYS HG3 . . 3.970 3.305 2.236 3.941 . 0 0 "[ . 1 . 2]" 1
380 1 15 LYS HE2 1 17 VAL MG2 . . 3.770 3.093 2.516 3.768 . 0 0 "[ . 1 . 2]" 1
381 1 15 LYS HE2 1 15 LYS HG2 . . 4.220 2.918 2.308 3.596 . 0 0 "[ . 1 . 2]" 1
382 1 15 LYS HE3 1 15 LYS HG3 . . 3.970 3.030 2.364 3.791 . 0 0 "[ . 1 . 2]" 1
383 1 15 LYS HE3 1 15 LYS HG2 . . 4.220 2.849 2.155 3.851 . 0 0 "[ . 1 . 2]" 1
384 1 15 LYS HE3 1 17 VAL MG2 . . 3.770 3.107 2.239 3.765 . 0 0 "[ . 1 . 2]" 1
385 1 30 ASP HB2 1 47 ILE MD . . 4.230 4.159 3.994 4.234 0.004 10 0 "[ . 1 . 2]" 1
386 1 30 ASP H 1 30 ASP HB3 . . 3.750 3.494 2.864 3.610 . 0 0 "[ . 1 . 2]" 1
387 1 30 ASP HB3 1 47 ILE MD . . 3.700 3.650 3.436 3.708 0.008 1 0 "[ . 1 . 2]" 1
388 1 46 LYS HE2 1 46 LYS QG . . 3.740 2.549 2.116 3.411 . 0 0 "[ . 1 . 2]" 1
389 1 46 LYS HE3 1 46 LYS QG . . 3.740 2.774 2.087 3.484 . 0 0 "[ . 1 . 2]" 1
390 1 30 ASP HB3 1 47 ILE MG . . 4.550 3.496 3.080 4.162 . 0 0 "[ . 1 . 2]" 1
391 1 44 LYS HE3 1 51 ILE MG . . 3.910 3.370 2.769 3.821 . 0 0 "[ . 1 . 2]" 1
392 1 49 ASP H 1 49 ASP QB . . 3.460 2.598 2.380 3.140 . 0 0 "[ . 1 . 2]" 1
393 1 8 ASN HB2 1 10 TYR QE . . 3.910 2.452 2.000 3.782 . 0 0 "[ . 1 . 2]" 1
394 1 8 ASN HB3 1 10 TYR QE . . 4.080 2.189 1.998 3.322 . 0 0 "[ . 1 . 2]" 1
395 1 9 THR HB 1 10 TYR H . . 3.850 3.326 2.691 3.851 0.001 13 0 "[ . 1 . 2]" 1
396 1 24 LEU HB3 1 54 PHE HB3 . . 4.050 2.719 2.486 2.950 . 0 0 "[ . 1 . 2]" 1
397 1 26 MET ME 1 54 PHE HB3 . . 4.040 3.610 3.171 3.905 . 0 0 "[ . 1 . 2]" 1
398 1 26 MET ME 1 58 PHE HB3 . . 3.980 1.913 1.815 2.051 . 0 0 "[ . 1 . 2]" 1
399 1 33 THR HB 1 46 LYS HB3 . . 3.480 2.406 2.079 2.797 . 0 0 "[ . 1 . 2]" 1
400 1 33 THR HB 1 46 LYS HB2 . . 4.280 3.935 3.489 4.282 0.002 19 0 "[ . 1 . 2]" 1
401 1 33 THR HB 1 46 LYS QG . . 4.440 4.086 3.601 4.386 . 0 0 "[ . 1 . 2]" 1
402 1 35 LEU MD1 1 46 LYS HB3 . . 4.320 3.087 2.664 3.400 . 0 0 "[ . 1 . 2]" 1
403 1 35 LEU MD2 1 46 LYS HB3 . . 4.640 2.979 2.566 3.273 . 0 0 "[ . 1 . 2]" 1
404 1 35 LEU MD1 1 46 LYS HB2 . . 3.700 1.993 1.834 2.280 . 0 0 "[ . 1 . 2]" 1
405 1 16 PHE HB3 1 26 MET HB2 . . 4.700 4.542 4.330 4.701 0.001 11 0 "[ . 1 . 2]" 1
406 1 22 GLU HA 1 22 GLU HG3 . . 3.780 3.424 2.360 3.785 0.005 10 0 "[ . 1 . 2]" 1
407 1 10 TYR QD 1 59 VAL HB . . 4.150 3.233 2.802 3.733 . 0 0 "[ . 1 . 2]" 1
408 1 10 TYR HB3 1 59 VAL HB . . 3.530 2.286 2.064 2.484 . 0 0 "[ . 1 . 2]" 1
409 1 36 GLU HB2 1 44 LYS HB2 . . 4.480 3.992 3.255 4.402 . 0 0 "[ . 1 . 2]" 1
410 1 18 PRO HD3 1 25 GLU HG3 . . 3.880 2.647 2.123 3.160 . 0 0 "[ . 1 . 2]" 1
411 1 12 ALA HA 1 59 VAL HB . . 4.300 3.513 3.082 3.856 . 0 0 "[ . 1 . 2]" 1
412 1 20 GLU H 1 20 GLU HG3 . . 4.410 3.949 2.785 4.450 0.040 19 0 "[ . 1 . 2]" 1
413 1 48 GLN H 1 48 GLN QG . . 3.940 2.176 1.939 2.360 . 0 0 "[ . 1 . 2]" 1
414 1 48 GLN QG 1 49 ASP H . . 4.010 3.885 3.755 4.000 . 0 0 "[ . 1 . 2]" 1
415 1 47 ILE MG 1 48 GLN QG . . 3.390 2.895 2.745 3.118 . 0 0 "[ . 1 . 2]" 1
416 1 19 GLN HA 1 19 GLN HG2 . . 4.050 3.027 2.269 3.877 . 0 0 "[ . 1 . 2]" 1
417 1 36 GLU HB3 1 44 LYS HB2 . . 4.640 3.136 2.524 4.389 . 0 0 "[ . 1 . 2]" 1
418 1 43 TRP HB3 1 54 PHE HZ . . 4.570 3.971 3.160 4.454 . 0 0 "[ . 1 . 2]" 1
419 1 15 LYS QB 1 27 ARG HA . . 4.380 2.671 2.314 3.194 . 0 0 "[ . 1 . 2]" 1
420 1 43 TRP HB2 1 44 LYS H . . 4.230 3.802 3.286 4.200 . 0 0 "[ . 1 . 2]" 1
421 1 13 LEU MD1 1 60 GLN QG . . 4.440 3.760 2.852 4.326 . 0 0 "[ . 1 . 2]" 1
422 1 11 VAL MG1 1 60 GLN HB2 . . 4.260 4.001 3.311 4.262 0.002 19 0 "[ . 1 . 2]" 1
423 1 18 PRO HA 1 19 GLN H . . 2.830 2.172 2.151 2.202 . 0 0 "[ . 1 . 2]" 1
424 1 16 PHE QE 1 18 PRO HA . . 3.760 2.051 1.998 2.283 . 0 0 "[ . 1 . 2]" 1
425 1 18 PRO HA 1 23 ASP HB2 . . 3.360 2.397 1.997 2.622 . 0 0 "[ . 1 . 2]" 1
426 1 18 PRO HA 1 23 ASP HB3 . . 3.360 2.338 2.097 2.621 . 0 0 "[ . 1 . 2]" 1
427 1 28 PRO HA 1 29 GLY H . . 2.750 2.288 2.192 2.365 . 0 0 "[ . 1 . 2]" 1
428 1 12 ALA MB 1 28 PRO HA . . 3.490 2.942 2.633 3.232 . 0 0 "[ . 1 . 2]" 1
429 1 55 PRO HB2 1 58 PHE QD . . 4.240 2.738 2.233 3.231 . 0 0 "[ . 1 . 2]" 1
430 1 10 TYR QE 1 61 ARG HB2 . . 4.410 2.372 2.013 2.869 . 0 0 "[ . 1 . 2]" 1
431 1 26 MET ME 1 26 MET HG3 . . 3.890 2.176 2.015 2.435 . 0 0 "[ . 1 . 2]" 1
432 1 26 MET HG2 1 47 ILE MD . . 4.040 3.820 3.573 4.017 . 0 0 "[ . 1 . 2]" 1
433 1 40 GLU HB3 1 41 ASP H . . 4.310 3.386 2.576 3.955 . 0 0 "[ . 1 . 2]" 1
434 1 16 PHE HB3 1 26 MET HG3 . . 4.090 2.397 2.015 2.671 . 0 0 "[ . 1 . 2]" 1
435 1 35 LEU MD2 1 46 LYS QD . . 3.810 3.205 2.373 3.787 . 0 0 "[ . 1 . 2]" 1
436 1 46 LYS QD 1 51 ILE MD . . 4.270 3.400 2.343 4.271 0.001 16 0 "[ . 1 . 2]" 1
437 1 9 THR HA 1 10 TYR H . . 2.900 2.250 2.185 2.319 . 0 0 "[ . 1 . 2]" 1
438 1 9 THR HA 1 10 TYR QD . . 3.870 2.915 2.772 3.035 . 0 0 "[ . 1 . 2]" 1
439 1 32 ILE HA 1 47 ILE HA . . 4.120 3.417 3.072 3.769 . 0 0 "[ . 1 . 2]" 1
440 1 47 ILE HA 1 47 ILE HG12 . . 4.160 2.494 2.330 2.669 . 0 0 "[ . 1 . 2]" 1
441 1 47 ILE HA 1 47 ILE MG . . 3.210 2.314 2.145 2.426 . 0 0 "[ . 1 . 2]" 1
442 1 47 ILE HA 1 47 ILE MD . . 4.190 3.777 3.672 3.845 . 0 0 "[ . 1 . 2]" 1
443 1 55 PRO HA 1 56 ALA H . . 2.880 2.211 2.151 2.271 . 0 0 "[ . 1 . 2]" 1
444 1 42 TRP HE3 1 55 PRO HA . . 4.060 3.826 3.464 4.042 . 0 0 "[ . 1 . 2]" 1
445 1 15 LYS QD 1 15 LYS HG3 . . 2.760 2.286 2.171 2.455 . 0 0 "[ . 1 . 2]" 1
446 1 15 LYS QD 1 17 VAL MG2 . . 4.320 3.737 1.761 4.307 . 0 0 "[ . 1 . 2]" 1
447 1 22 GLU HB2 1 53 PHE QD . . 4.220 3.691 2.518 4.222 0.002 19 0 "[ . 1 . 2]" 1
448 1 22 GLU HB3 1 53 PHE QD . . 4.220 2.933 2.291 4.221 0.001 11 0 "[ . 1 . 2]" 1
449 1 32 ILE HG12 1 47 ILE HG12 . . 4.700 2.697 2.005 3.625 . 0 0 "[ . 1 . 2]" 1
450 1 32 ILE HG12 1 47 ILE MD . . 3.890 2.675 2.263 3.098 . 0 0 "[ . 1 . 2]" 1
451 1 32 ILE HG13 1 47 ILE MD . . 3.890 2.969 2.237 3.509 . 0 0 "[ . 1 . 2]" 1
452 1 32 ILE HG13 1 47 ILE HG13 . . 4.700 4.065 3.380 4.703 0.003 11 0 "[ . 1 . 2]" 1
453 1 32 ILE HA 1 47 ILE HG13 . . 4.530 4.214 3.914 4.535 0.005 7 0 "[ . 1 . 2]" 1
454 1 31 ILE MG 1 32 ILE HA . . 4.040 3.760 3.418 4.041 0.001 10 0 "[ . 1 . 2]" 1
455 1 32 ILE HA 1 32 ILE MG . . 3.270 2.366 2.289 2.446 . 0 0 "[ . 1 . 2]" 1
456 1 50 ARG H 1 50 ARG HG2 . . 4.720 4.192 2.742 4.724 0.004 4 0 "[ . 1 . 2]" 1
457 1 32 ILE HG13 1 47 ILE HG12 . . 4.700 2.660 2.000 3.261 . 0 0 "[ . 1 . 2]" 1
458 1 47 ILE HA 1 47 ILE HG13 . . 4.160 3.184 2.984 3.367 . 0 0 "[ . 1 . 2]" 1
459 1 51 ILE H 1 51 ILE HG12 . . 4.810 4.168 3.631 4.778 . 0 0 "[ . 1 . 2]" 1
460 1 51 ILE HA 1 51 ILE HG12 . . 4.030 2.857 2.556 3.576 . 0 0 "[ . 1 . 2]" 1
461 1 46 LYS HA 1 51 ILE HA . . 3.170 2.941 2.830 3.060 . 0 0 "[ . 1 . 2]" 1
462 1 51 ILE HA 1 51 ILE HG13 . . 4.030 2.925 2.248 3.405 . 0 0 "[ . 1 . 2]" 1
463 1 24 LEU MD1 1 51 ILE HA . . 3.630 2.521 2.079 2.780 . 0 0 "[ . 1 . 2]" 1
464 1 18 PRO HG3 1 25 GLU HB2 . . 3.830 2.016 1.991 2.168 . 0 0 "[ . 1 . 2]" 1
465 1 18 PRO HG2 1 25 GLU HB2 . . 3.830 2.939 2.632 3.510 . 0 0 "[ . 1 . 2]" 1
466 1 13 LEU H 1 59 VAL HA . . 3.520 2.455 2.065 2.880 . 0 0 "[ . 1 . 2]" 1
467 1 12 ALA HA 1 59 VAL HA . . 3.370 2.477 2.070 2.901 . 0 0 "[ . 1 . 2]" 1
468 1 13 LEU HG 1 59 VAL HA . . 3.680 2.436 2.005 2.856 . 0 0 "[ . 1 . 2]" 1
469 1 59 VAL HA 1 59 VAL MG1 . . 3.240 2.420 2.343 2.515 . 0 0 "[ . 1 . 2]" 1
470 1 17 VAL HA 1 18 PRO HD2 . . 2.980 1.925 1.914 1.966 . 0 0 "[ . 1 . 2]" 1
471 1 17 VAL HA 1 25 GLU HG3 . . 3.920 3.153 2.624 3.499 . 0 0 "[ . 1 . 2]" 1
472 1 27 ARG H 1 27 ARG HG3 . . 4.530 3.492 3.011 4.273 . 0 0 "[ . 1 . 2]" 1
473 1 27 ARG HA 1 27 ARG HG3 . . 4.250 3.107 2.257 3.980 . 0 0 "[ . 1 . 2]" 1
474 1 27 ARG H 1 27 ARG HG2 . . 4.530 3.774 1.965 4.538 0.008 6 0 "[ . 1 . 2]" 1
475 1 27 ARG HA 1 27 ARG HG2 . . 4.250 2.822 2.196 3.936 . 0 0 "[ . 1 . 2]" 1
476 1 48 GLN HA 1 48 GLN QG . . 3.260 2.468 2.239 2.941 . 0 0 "[ . 1 . 2]" 1
477 1 31 ILE H 1 31 ILE HG13 . . 4.020 3.877 3.531 4.023 0.003 13 0 "[ . 1 . 2]" 1
478 1 10 TYR QD 1 61 ARG HA . . 3.640 2.757 2.454 2.954 . 0 0 "[ . 1 . 2]" 1
479 1 10 TYR HA 1 61 ARG HA . . 3.460 3.266 2.863 3.463 0.003 20 0 "[ . 1 . 2]" 1
480 1 61 ARG HA 1 61 ARG HG2 . . 4.000 3.042 2.383 3.532 . 0 0 "[ . 1 . 2]" 1
481 1 61 ARG HA 1 61 ARG HG3 . . 4.000 2.752 2.376 3.641 . 0 0 "[ . 1 . 2]" 1
482 1 53 PHE HA 1 53 PHE QD . . 3.860 2.691 2.427 2.936 . 0 0 "[ . 1 . 2]" 1
483 1 53 PHE HA 1 54 PHE QD . . 4.280 3.401 3.028 3.962 . 0 0 "[ . 1 . 2]" 1
484 1 24 LEU HB3 1 24 LEU MD2 . . 3.590 2.216 2.068 2.351 . 0 0 "[ . 1 . 2]" 1
485 1 16 PHE HA 1 16 PHE QD . . 3.360 3.008 2.873 3.126 . 0 0 "[ . 1 . 2]" 1
486 1 16 PHE HA 1 58 PHE QE . . 4.180 2.750 2.295 3.093 . 0 0 "[ . 1 . 2]" 1
487 1 15 LYS QB 1 16 PHE HA . . 5.350 4.782 4.656 4.922 . 0 0 "[ . 1 . 2]" 1
488 1 10 TYR HA 1 62 LEU HG . . 4.240 3.447 2.604 4.234 . 0 0 "[ . 1 . 2]" 1
489 1 10 TYR HA 1 11 VAL H . . 3.040 2.219 2.145 2.420 . 0 0 "[ . 1 . 2]" 1
490 1 10 TYR HA 1 10 TYR QD . . 3.850 3.121 3.060 3.151 . 0 0 "[ . 1 . 2]" 1
491 1 58 PHE HA 1 58 PHE QD . . 3.330 2.764 2.446 2.939 . 0 0 "[ . 1 . 2]" 1
492 1 14 TYR QE 1 58 PHE HA . . 3.720 3.002 2.415 3.397 . 0 0 "[ . 1 . 2]" 1
493 1 14 TYR QD 1 58 PHE HA . . 3.160 2.403 2.002 2.644 . 0 0 "[ . 1 . 2]" 1
494 1 22 GLU HA 1 22 GLU HG2 . . 3.780 3.038 2.319 3.766 . 0 0 "[ . 1 . 2]" 1
495 1 13 LEU MD1 1 60 GLN HA . . 4.960 3.517 2.943 3.961 . 0 0 "[ . 1 . 2]" 1
496 1 13 LEU MD1 1 60 GLN HB2 . . 4.080 2.383 1.995 3.926 . 0 0 "[ . 1 . 2]" 1
497 1 13 LEU MD1 1 60 GLN HB3 . . 4.080 3.419 2.344 3.819 . 0 0 "[ . 1 . 2]" 1
498 1 10 TYR QD 1 34 LEU MD2 . . 4.080 3.464 3.284 3.812 . 0 0 "[ . 1 . 2]" 1
499 1 10 TYR QE 1 34 LEU MD2 . . 3.550 2.056 1.837 2.271 . 0 0 "[ . 1 . 2]" 1
500 1 34 LEU HA 1 34 LEU MD2 . . 4.260 3.858 3.807 3.913 . 0 0 "[ . 1 . 2]" 1
501 1 18 PRO HD3 1 25 GLU HA . . 3.290 2.074 1.993 2.191 . 0 0 "[ . 1 . 2]" 1
502 1 25 GLU HA 1 25 GLU HG3 . . 3.470 2.347 2.221 2.513 . 0 0 "[ . 1 . 2]" 1
503 1 25 GLU HA 1 25 GLU HG2 . . 3.750 3.128 2.888 3.426 . 0 0 "[ . 1 . 2]" 1
504 1 18 PRO HG2 1 25 GLU HA . . 4.580 4.253 3.983 4.588 0.008 17 0 "[ . 1 . 2]" 1
505 1 15 LYS HG2 1 16 PHE H . . 4.400 3.174 2.216 3.672 . 0 0 "[ . 1 . 2]" 1
506 1 36 GLU HA 1 37 ASP H . . 2.990 2.161 2.138 2.187 . 0 0 "[ . 1 . 2]" 1
507 1 36 GLU HA 1 36 GLU HG2 . . 4.230 3.112 2.212 3.676 . 0 0 "[ . 1 . 2]" 1
508 1 21 ASN HA 1 23 ASP H . . 4.300 4.246 4.069 4.314 0.014 19 0 "[ . 1 . 2]" 1
509 1 19 GLN HA 1 19 GLN HG3 . . 4.050 2.950 2.287 3.768 . 0 0 "[ . 1 . 2]" 1
510 1 62 LEU HA 1 62 LEU MD1 . . 3.890 3.643 1.944 3.856 . 0 0 "[ . 1 . 2]" 1
511 1 34 LEU MD1 1 35 LEU H . . 3.700 3.284 2.737 3.647 . 0 0 "[ . 1 . 2]" 1
512 1 34 LEU MD1 1 36 GLU H . . 4.020 3.892 3.071 4.019 . 0 0 "[ . 1 . 2]" 1
513 1 34 LEU MD1 1 43 TRP HE3 . . 3.570 2.720 2.188 3.210 . 0 0 "[ . 1 . 2]" 1
514 1 10 TYR QD 1 34 LEU MD1 . . 3.870 3.466 2.895 3.787 . 0 0 "[ . 1 . 2]" 1
515 1 34 LEU MD1 1 54 PHE HZ . . 4.000 2.633 2.219 3.141 . 0 0 "[ . 1 . 2]" 1
516 1 10 TYR QE 1 34 LEU MD1 . . 4.170 3.591 3.122 3.947 . 0 0 "[ . 1 . 2]" 1
517 1 34 LEU MD1 1 54 PHE QE . . 4.510 3.388 2.862 3.660 . 0 0 "[ . 1 . 2]" 1
518 1 34 LEU HA 1 34 LEU MD1 . . 3.250 2.244 1.968 2.417 . 0 0 "[ . 1 . 2]" 1
519 1 34 LEU MD1 1 43 TRP HB3 . . 3.360 1.994 1.814 2.287 . 0 0 "[ . 1 . 2]" 1
520 1 34 LEU MD1 1 43 TRP HB2 . . 3.790 2.826 2.433 3.172 . 0 0 "[ . 1 . 2]" 1
521 1 30 ASP HA 1 31 ILE HB . . 5.020 4.737 4.568 4.822 . 0 0 "[ . 1 . 2]" 1
522 1 15 LYS HA 1 16 PHE H . . 2.840 2.172 2.140 2.231 . 0 0 "[ . 1 . 2]" 1
523 1 15 LYS HA 1 27 ARG HA . . 3.230 2.182 1.998 2.478 . 0 0 "[ . 1 . 2]" 1
524 1 15 LYS HA 1 28 PRO HD3 . . 3.500 2.602 2.107 2.849 . 0 0 "[ . 1 . 2]" 1
525 1 15 LYS HA 1 15 LYS HG3 . . 3.730 2.767 2.517 3.707 . 0 0 "[ . 1 . 2]" 1
526 1 15 LYS HA 1 15 LYS HG2 . . 4.250 3.273 2.739 3.493 . 0 0 "[ . 1 . 2]" 1
527 1 35 LEU HA 1 35 LEU MD2 . . 2.990 2.285 1.986 2.670 . 0 0 "[ . 1 . 2]" 1
528 1 13 LEU HA 1 13 LEU HG . . 3.920 3.025 2.876 3.175 . 0 0 "[ . 1 . 2]" 1
529 1 62 LEU HA 1 63 SER H . . 3.400 2.243 2.138 2.798 . 0 0 "[ . 1 . 2]" 1
530 1 62 LEU HA 1 62 LEU MD2 . . 3.890 2.311 2.042 2.868 . 0 0 "[ . 1 . 2]" 1
531 1 24 LEU MD1 1 52 GLY H . . 4.130 3.352 2.930 3.722 . 0 0 "[ . 1 . 2]" 1
532 1 24 LEU MD1 1 46 LYS HA . . 4.680 4.335 3.843 4.683 0.003 10 0 "[ . 1 . 2]" 1
533 1 24 LEU HA 1 24 LEU MD1 . . 3.040 2.440 2.168 2.631 . 0 0 "[ . 1 . 2]" 1
534 1 24 LEU MD1 1 50 ARG HB2 . . 3.680 2.810 1.991 3.059 . 0 0 "[ . 1 . 2]" 1
535 1 24 LEU MD1 1 50 ARG HB3 . . 3.680 1.877 1.779 2.070 . 0 0 "[ . 1 . 2]" 1
536 1 24 LEU MD1 1 47 ILE HB . . 3.520 2.928 2.668 3.194 . 0 0 "[ . 1 . 2]" 1
537 1 23 ASP HA 1 24 LEU H . . 3.010 2.385 2.278 2.409 . 0 0 "[ . 1 . 2]" 1
538 1 23 ASP HA 1 53 PHE HB2 . . 3.920 2.997 2.502 3.504 . 0 0 "[ . 1 . 2]" 1
539 1 26 MET HA 1 26 MET HG2 . . 3.720 3.533 3.482 3.603 . 0 0 "[ . 1 . 2]" 1
540 1 26 MET HA 1 47 ILE MD . . 3.680 2.676 2.475 2.861 . 0 0 "[ . 1 . 2]" 1
541 1 56 ALA HA 1 59 VAL H . . 4.120 3.294 3.093 3.962 . 0 0 "[ . 1 . 2]" 1
542 1 54 PHE QD 1 56 ALA HA . . 4.130 3.650 3.237 3.885 . 0 0 "[ . 1 . 2]" 1
543 1 54 PHE QE 1 56 ALA HA . . 3.800 3.355 2.438 3.756 . 0 0 "[ . 1 . 2]" 1
544 1 13 LEU H 1 59 VAL MG1 . . 4.230 3.428 3.185 3.722 . 0 0 "[ . 1 . 2]" 1
545 1 54 PHE QD 1 59 VAL MG1 . . 3.650 2.684 2.385 3.318 . 0 0 "[ . 1 . 2]" 1
546 1 54 PHE QE 1 59 VAL MG1 . . 3.450 2.294 1.980 2.896 . 0 0 "[ . 1 . 2]" 1
547 1 12 ALA H 1 59 VAL MG1 . . 4.240 3.792 3.374 4.021 . 0 0 "[ . 1 . 2]" 1
548 1 46 LYS HA 1 47 ILE H . . 2.880 2.182 2.141 2.379 . 0 0 "[ . 1 . 2]" 1
549 1 46 LYS HA 1 46 LYS QG . . 3.530 2.488 2.386 2.586 . 0 0 "[ . 1 . 2]" 1
550 1 46 LYS HA 1 51 ILE MG . . 3.820 2.813 2.297 3.196 . 0 0 "[ . 1 . 2]" 1
551 1 10 TYR QD 1 60 GLN HA . . 4.430 3.846 3.119 4.282 . 0 0 "[ . 1 . 2]" 1
552 1 60 GLN HA 1 60 GLN QG . . 3.700 2.577 2.203 3.333 . 0 0 "[ . 1 . 2]" 1
553 1 13 LEU HA 1 13 LEU MD2 . . 2.970 2.263 2.022 2.526 . 0 0 "[ . 1 . 2]" 1
554 1 13 LEU MD2 1 60 GLN HB2 . . 3.870 2.330 1.929 3.638 . 0 0 "[ . 1 . 2]" 1
555 1 13 LEU MD2 1 60 GLN HB3 . . 3.870 2.359 1.945 2.849 . 0 0 "[ . 1 . 2]" 1
556 1 24 LEU HA 1 24 LEU HG . . 4.130 3.366 3.231 3.477 . 0 0 "[ . 1 . 2]" 1
557 1 11 VAL H 1 11 VAL MG2 . . 4.240 3.839 3.794 3.880 . 0 0 "[ . 1 . 2]" 1
558 1 11 VAL MG2 1 29 GLY H . . 3.800 3.093 2.883 3.319 . 0 0 "[ . 1 . 2]" 1
559 1 11 VAL HA 1 11 VAL MG2 . . 3.310 2.317 2.209 2.463 . 0 0 "[ . 1 . 2]" 1
560 1 11 VAL MG2 1 12 ALA HA . . 4.660 4.105 3.875 4.416 . 0 0 "[ . 1 . 2]" 1
561 1 11 VAL MG2 1 29 GLY HA2 . . 3.340 2.828 2.498 3.007 . 0 0 "[ . 1 . 2]" 1
562 1 57 ASN HA 1 59 VAL H . . 4.360 4.163 3.509 4.351 . 0 0 "[ . 1 . 2]" 1
563 1 43 TRP HA 1 43 TRP HD1 . . 3.230 2.122 2.000 2.270 . 0 0 "[ . 1 . 2]" 1
564 1 37 ASP HA 1 43 TRP HA . . 3.890 3.705 3.288 3.887 . 0 0 "[ . 1 . 2]" 1
565 1 37 ASP HA 1 43 TRP HD1 . . 3.810 2.783 2.260 3.132 . 0 0 "[ . 1 . 2]" 1
566 1 17 VAL HA 1 17 VAL MG2 . . 3.220 2.337 2.281 2.481 . 0 0 "[ . 1 . 2]" 1
567 1 12 ALA HA 1 13 LEU H . . 2.960 2.164 2.141 2.295 . 0 0 "[ . 1 . 2]" 1
568 1 12 ALA HA 1 59 VAL MG1 . . 3.140 2.086 1.938 2.368 . 0 0 "[ . 1 . 2]" 1
569 1 17 VAL HA 1 17 VAL MG1 . . 3.170 2.374 2.243 2.459 . 0 0 "[ . 1 . 2]" 1
570 1 17 VAL MG1 1 18 PRO HD2 . . 3.290 3.024 2.146 3.166 . 0 0 "[ . 1 . 2]" 1
571 1 43 TRP HE3 1 59 VAL MG2 . . 3.910 2.876 2.455 3.211 . 0 0 "[ . 1 . 2]" 1
572 1 10 TYR QD 1 59 VAL MG2 . . 3.140 2.269 1.969 2.496 . 0 0 "[ . 1 . 2]" 1
573 1 54 PHE QE 1 59 VAL MG2 . . 3.240 1.986 1.797 2.269 . 0 0 "[ . 1 . 2]" 1
574 1 43 TRP HZ3 1 59 VAL MG2 . . 3.750 3.200 2.899 3.584 . 0 0 "[ . 1 . 2]" 1
575 1 10 TYR HB3 1 59 VAL MG2 . . 3.730 2.660 1.978 3.038 . 0 0 "[ . 1 . 2]" 1
576 1 56 ALA HA 1 59 VAL MG2 . . 3.700 2.159 1.952 2.451 . 0 0 "[ . 1 . 2]" 1
577 1 11 VAL MG1 1 60 GLN H . . 3.790 2.849 2.367 3.175 . 0 0 "[ . 1 . 2]" 1
578 1 11 VAL MG1 1 60 GLN QG . . 4.140 3.745 1.824 4.140 0.000 10 0 "[ . 1 . 2]" 1
579 1 12 ALA MB 1 29 GLY H . . 3.580 2.908 2.602 3.194 . 0 0 "[ . 1 . 2]" 1
580 1 12 ALA MB 1 30 ASP H . . 3.290 2.833 2.383 3.148 . 0 0 "[ . 1 . 2]" 1
581 1 11 VAL HA 1 12 ALA MB . . 4.350 3.958 3.913 3.995 . 0 0 "[ . 1 . 2]" 1
582 1 12 ALA MB 1 26 MET HG3 . . 4.200 3.401 3.127 3.651 . 0 0 "[ . 1 . 2]" 1
583 1 12 ALA MB 1 30 ASP HB2 . . 3.420 2.945 2.488 3.171 . 0 0 "[ . 1 . 2]" 1
584 1 12 ALA MB 1 30 ASP HB3 . . 4.070 3.955 2.796 4.076 0.006 13 0 "[ . 1 . 2]" 1
585 1 12 ALA MB 1 26 MET HG2 . . 4.490 4.343 3.961 4.493 0.003 17 0 "[ . 1 . 2]" 1
586 1 12 ALA MB 1 59 VAL MG1 . . 3.680 2.743 2.559 3.054 . 0 0 "[ . 1 . 2]" 1
587 1 18 PRO HD2 1 25 GLU HA . . 3.720 3.346 3.067 3.561 . 0 0 "[ . 1 . 2]" 1
588 1 18 PRO HD2 1 25 GLU HG3 . . 3.900 2.544 1.999 3.277 . 0 0 "[ . 1 . 2]" 1
589 1 18 PRO HD2 1 25 GLU HG2 . . 4.520 4.153 3.668 4.500 . 0 0 "[ . 1 . 2]" 1
590 1 18 PRO HD2 1 25 GLU HB2 . . 3.730 3.046 2.238 3.508 . 0 0 "[ . 1 . 2]" 1
591 1 17 VAL HA 1 18 PRO HD3 . . 3.030 2.570 2.337 2.626 . 0 0 "[ . 1 . 2]" 1
592 1 18 PRO HD3 1 25 GLU HB2 . . 3.800 3.003 2.371 3.330 . 0 0 "[ . 1 . 2]" 1
593 1 17 VAL MG1 1 18 PRO HD3 . . 4.180 4.140 3.561 4.210 0.030 5 0 "[ . 1 . 2]" 1
594 1 32 ILE MG 1 54 PHE HZ . . 3.630 2.525 2.044 3.171 . 0 0 "[ . 1 . 2]" 1
595 1 32 ILE MG 1 54 PHE QE . . 3.640 2.394 1.887 2.627 . 0 0 "[ . 1 . 2]" 1
596 1 32 ILE MG 1 45 GLY HA3 . . 3.470 2.181 2.033 2.427 . 0 0 "[ . 1 . 2]" 1
597 1 27 ARG HA 1 28 PRO HD2 . . 3.330 2.468 2.387 2.529 . 0 0 "[ . 1 . 2]" 1
598 1 15 LYS HA 1 28 PRO HD2 . . 4.190 3.851 3.433 4.155 . 0 0 "[ . 1 . 2]" 1
599 1 15 LYS QB 1 28 PRO HD2 . . 3.880 2.768 2.552 3.035 . 0 0 "[ . 1 . 2]" 1
600 1 15 LYS QB 1 28 PRO HD3 . . 3.510 1.987 1.968 2.044 . 0 0 "[ . 1 . 2]" 1
601 1 54 PHE QD 1 55 PRO HD2 . . 4.240 3.480 3.218 3.641 . 0 0 "[ . 1 . 2]" 1
602 1 54 PHE HB3 1 55 PRO HD2 . . 4.050 3.409 3.274 3.588 . 0 0 "[ . 1 . 2]" 1
603 1 54 PHE HB2 1 55 PRO HD2 . . 3.550 2.066 1.995 2.237 . 0 0 "[ . 1 . 2]" 1
604 1 42 TRP HZ3 1 55 PRO HD3 . . 3.990 2.621 2.086 2.861 . 0 0 "[ . 1 . 2]" 1
605 1 54 PHE HB3 1 55 PRO HD3 . . 4.510 4.374 4.258 4.523 0.013 11 0 "[ . 1 . 2]" 1
606 1 54 PHE HB2 1 55 PRO HD3 . . 3.800 3.501 3.441 3.646 . 0 0 "[ . 1 . 2]" 1
607 1 51 ILE HA 1 51 ILE MG . . 3.490 2.322 2.212 2.410 . 0 0 "[ . 1 . 2]" 1
608 1 44 LYS HE2 1 51 ILE MG . . 3.910 3.490 2.580 3.917 0.007 10 0 "[ . 1 . 2]" 1
609 1 46 LYS QG 1 51 ILE MG . . 3.690 3.297 2.995 3.686 . 0 0 "[ . 1 . 2]" 1
610 1 47 ILE MG 1 48 GLN HB2 . . 3.330 2.596 2.491 2.806 . 0 0 "[ . 1 . 2]" 1
611 1 31 ILE MG 1 32 ILE H . . 3.400 2.595 1.882 3.240 . 0 0 "[ . 1 . 2]" 1
612 1 9 THR HB 1 31 ILE MG . . 4.010 3.477 2.404 4.014 0.004 7 0 "[ . 1 . 2]" 1
613 1 32 ILE H 1 32 ILE MD . . 3.790 2.989 2.101 3.787 . 0 0 "[ . 1 . 2]" 1
614 1 12 ALA H 1 32 ILE MD . . 3.720 2.736 2.202 3.286 . 0 0 "[ . 1 . 2]" 1
615 1 11 VAL HA 1 32 ILE MD . . 4.120 3.315 2.677 3.902 . 0 0 "[ . 1 . 2]" 1
616 1 32 ILE HA 1 32 ILE MD . . 4.140 3.613 3.253 3.896 . 0 0 "[ . 1 . 2]" 1
617 1 12 ALA HA 1 32 ILE MD . . 4.090 3.224 2.830 3.496 . 0 0 "[ . 1 . 2]" 1
618 1 30 ASP HB2 1 32 ILE MD . . 4.190 3.692 2.853 4.190 . 0 0 "[ . 1 . 2]" 1
619 1 26 MET HB2 1 32 ILE MD . . 4.260 2.824 2.563 3.254 . 0 0 "[ . 1 . 2]" 1
620 1 26 MET HB3 1 32 ILE MD . . 3.830 2.820 2.416 3.310 . 0 0 "[ . 1 . 2]" 1
621 1 12 ALA MB 1 32 ILE MD . . 3.220 2.082 1.904 2.440 . 0 0 "[ . 1 . 2]" 1
622 1 32 ILE HB 1 32 ILE MD . . 3.280 2.164 2.082 2.275 . 0 0 "[ . 1 . 2]" 1
623 1 16 PHE HB3 1 26 MET ME . . 3.200 3.087 2.737 3.209 0.009 20 0 "[ . 1 . 2]" 1
624 1 26 MET ME 1 59 VAL MG1 . . 2.900 2.298 2.017 2.644 . 0 0 "[ . 1 . 2]" 1
625 1 16 PHE HB2 1 26 MET ME . . 3.330 2.022 1.857 2.176 . 0 0 "[ . 1 . 2]" 1
626 1 41 ASP HA 1 56 ALA MB . . 3.860 3.751 3.491 3.862 0.002 13 0 "[ . 1 . 2]" 1
627 1 9 THR MG 1 31 ILE MG . . 2.980 2.259 1.693 2.980 0.000 15 0 "[ . 1 . 2]" 1
628 1 9 THR HA 1 9 THR MG . . 3.300 2.246 2.130 2.355 . 0 0 "[ . 1 . 2]" 1
629 1 9 THR MG 1 10 TYR H . . 3.810 2.732 1.913 3.725 . 0 0 "[ . 1 . 2]" 1
630 1 10 TYR QE 1 34 LEU HB3 . . 4.070 3.172 2.618 3.671 . 0 0 "[ . 1 . 2]" 1
631 1 10 TYR QE 1 61 ARG HG3 . . 4.810 3.396 2.379 4.483 . 0 0 "[ . 1 . 2]" 1
632 1 10 TYR QE 1 61 ARG HB3 . . 4.410 3.999 3.662 4.361 . 0 0 "[ . 1 . 2]" 1
633 1 8 ASN HA 1 10 TYR QE . . 4.220 4.141 4.058 4.221 0.001 11 0 "[ . 1 . 2]" 1
634 1 16 PHE HZ 1 42 TRP HZ3 . . 4.180 2.461 2.146 2.819 . 0 0 "[ . 1 . 2]" 1
635 1 24 LEU MD2 1 54 PHE QD . . 3.620 1.966 1.793 2.260 . 0 0 "[ . 1 . 2]" 1
636 1 13 LEU HB2 1 14 TYR QD . . 4.180 2.719 2.472 3.081 . 0 0 "[ . 1 . 2]" 1
637 1 16 PHE HB2 1 58 PHE QD . . 3.720 2.700 2.347 2.831 . 0 0 "[ . 1 . 2]" 1
638 1 26 MET H 1 26 MET HG3 . . 4.230 2.697 2.400 2.845 . 0 0 "[ . 1 . 2]" 1
639 1 16 PHE QE 1 42 TRP HH2 . . 4.580 3.025 2.488 3.588 . 0 0 "[ . 1 . 2]" 1
640 1 16 PHE HZ 1 42 TRP HH2 . . 4.760 2.483 2.001 3.163 . 0 0 "[ . 1 . 2]" 1
641 1 13 LEU MD1 1 14 TYR QE . . 3.980 2.558 2.313 2.785 . 0 0 "[ . 1 . 2]" 1
642 1 13 LEU HB2 1 14 TYR QE . . 4.320 2.827 2.512 3.105 . 0 0 "[ . 1 . 2]" 1
643 1 12 ALA MB 1 26 MET HB3 . . 3.750 3.378 3.127 3.745 . 0 0 "[ . 1 . 2]" 1
644 1 12 ALA MB 1 26 MET ME . . 3.870 2.980 2.507 3.351 . 0 0 "[ . 1 . 2]" 1
645 1 26 MET ME 1 54 PHE HB2 . . 3.230 2.375 2.032 2.703 . 0 0 "[ . 1 . 2]" 1
646 1 10 TYR QD 1 32 ILE MG . . 4.990 4.664 4.501 4.869 . 0 0 "[ . 1 . 2]" 1
647 1 10 TYR QE 1 59 VAL MG2 . . 4.370 3.712 3.341 3.974 . 0 0 "[ . 1 . 2]" 1
648 1 10 TYR H 1 10 TYR QE . . 5.370 5.063 4.923 5.264 . 0 0 "[ . 1 . 2]" 1
649 1 12 ALA MB 1 26 MET HB2 . . 3.940 2.269 2.089 2.548 . 0 0 "[ . 1 . 2]" 1
650 1 14 TYR HA 1 15 LYS H . . 3.410 2.411 2.327 2.472 . 0 0 "[ . 1 . 2]" 1
651 1 16 PHE QD 1 26 MET ME . . 4.960 2.724 2.348 3.054 . 0 0 "[ . 1 . 2]" 1
652 1 16 PHE QE 1 42 TRP HZ3 . . 4.850 3.332 2.888 3.727 . 0 0 "[ . 1 . 2]" 1
653 1 16 PHE HZ 1 18 PRO HA . . 5.260 4.069 3.794 4.507 . 0 0 "[ . 1 . 2]" 1
654 1 15 LYS HG2 1 17 VAL MG2 . . 3.660 2.826 2.618 3.452 . 0 0 "[ . 1 . 2]" 1
655 1 22 GLU H 1 22 GLU HG3 . . 4.360 3.038 1.968 4.158 . 0 0 "[ . 1 . 2]" 1
656 1 18 PRO HD3 1 25 GLU HB3 . . 4.380 4.276 3.873 4.385 0.005 15 0 "[ . 1 . 2]" 1
657 1 27 ARG HA 1 28 PRO HD3 . . 3.030 2.328 2.294 2.357 . 0 0 "[ . 1 . 2]" 1
658 1 10 TYR H 1 32 ILE MG . . 4.620 4.286 3.961 4.605 . 0 0 "[ . 1 . 2]" 1
659 1 32 ILE MG 1 45 GLY H . . 5.280 3.962 3.691 4.225 . 0 0 "[ . 1 . 2]" 1
660 1 10 TYR HB2 1 32 ILE MG . . 4.280 3.527 3.204 3.820 . 0 0 "[ . 1 . 2]" 1
661 1 33 THR MG 1 34 LEU H . . 3.580 2.996 2.701 3.259 . 0 0 "[ . 1 . 2]" 1
662 1 34 LEU HA 1 35 LEU H . . 3.000 2.150 2.140 2.177 . 0 0 "[ . 1 . 2]" 1
663 1 34 LEU HA 1 34 LEU HG . . 3.870 2.848 2.755 2.997 . 0 0 "[ . 1 . 2]" 1
664 1 32 ILE MG 1 34 LEU HA . . 4.100 3.532 3.420 3.725 . 0 0 "[ . 1 . 2]" 1
665 1 36 GLU HA 1 36 GLU HG3 . . 4.230 2.661 2.236 3.574 . 0 0 "[ . 1 . 2]" 1
666 1 40 GLU H 1 40 GLU HG2 . . 4.700 3.715 2.011 4.708 0.008 2 0 "[ . 1 . 2]" 1
667 1 40 GLU H 1 40 GLU HG3 . . 4.700 3.530 2.105 4.573 . 0 0 "[ . 1 . 2]" 1
668 1 41 ASP HB3 1 42 TRP HD1 . . 4.110 2.218 1.988 3.560 . 0 0 "[ . 1 . 2]" 1
669 1 41 ASP H 1 41 ASP HB3 . . 4.120 3.376 2.566 3.629 . 0 0 "[ . 1 . 2]" 1
670 1 42 TRP HH2 1 55 PRO HG3 . . 4.660 4.060 3.719 4.560 . 0 0 "[ . 1 . 2]" 1
671 1 43 TRP HD1 1 56 ALA MB . . 4.970 4.537 4.309 4.760 . 0 0 "[ . 1 . 2]" 1
672 1 43 TRP HE3 1 56 ALA MB . . 5.420 2.764 2.524 3.089 . 0 0 "[ . 1 . 2]" 1
673 1 34 LEU MD2 1 43 TRP HE3 . . 4.920 3.740 3.052 4.394 . 0 0 "[ . 1 . 2]" 1
674 1 43 TRP HZ2 1 56 ALA MB . . 4.460 3.843 3.385 4.134 . 0 0 "[ . 1 . 2]" 1
675 1 34 LEU MD1 1 43 TRP HZ3 . . 4.690 4.248 3.899 4.684 . 0 0 "[ . 1 . 2]" 1
676 1 43 TRP HH2 1 56 ALA MB . . 5.180 3.456 3.033 3.839 . 0 0 "[ . 1 . 2]" 1
677 1 34 LEU MD2 1 43 TRP HH2 . . 5.290 5.024 4.650 5.292 0.002 13 0 "[ . 1 . 2]" 1
678 1 45 GLY HA2 1 54 PHE QE . . 3.890 3.449 3.107 3.634 . 0 0 "[ . 1 . 2]" 1
679 1 51 ILE HA 1 51 ILE MD . . 4.080 3.717 3.207 3.934 . 0 0 "[ . 1 . 2]" 1
680 1 51 ILE H 1 51 ILE MD . . 4.380 3.823 2.409 4.386 0.006 12 0 "[ . 1 . 2]" 1
681 1 44 LYS HB3 1 53 PHE QE . . 5.200 4.500 3.663 5.194 . 0 0 "[ . 1 . 2]" 1
682 1 54 PHE HA 1 55 PRO HD3 . . 3.170 2.284 2.262 2.299 . 0 0 "[ . 1 . 2]" 1
683 1 54 PHE HA 1 55 PRO HD2 . . 3.640 2.358 2.274 2.400 . 0 0 "[ . 1 . 2]" 1
684 1 42 TRP HZ3 1 54 PHE HA . . 3.860 2.995 2.573 3.361 . 0 0 "[ . 1 . 2]" 1
685 1 16 PHE QE 1 54 PHE HA . . 4.160 3.904 3.660 4.165 0.005 6 0 "[ . 1 . 2]" 1
686 1 16 PHE HZ 1 54 PHE HA . . 4.530 4.177 3.764 4.499 . 0 0 "[ . 1 . 2]" 1
687 1 54 PHE QD 1 59 VAL MG2 . . 4.580 3.168 2.844 3.423 . 0 0 "[ . 1 . 2]" 1
688 1 24 LEU HB2 1 54 PHE QD . . 4.770 4.045 3.500 4.631 . 0 0 "[ . 1 . 2]" 1
689 1 54 PHE HZ 1 59 VAL MG2 . . 4.940 3.662 3.133 4.001 . 0 0 "[ . 1 . 2]" 1
690 1 55 PRO HA 1 56 ALA MB . . 4.240 3.976 3.918 4.019 . 0 0 "[ . 1 . 2]" 1
691 1 16 PHE QE 1 55 PRO HD3 . . 4.300 2.255 1.997 2.688 . 0 0 "[ . 1 . 2]" 1
692 1 14 TYR QD 1 58 PHE QD . . 4.110 3.527 2.997 3.867 . 0 0 "[ . 1 . 2]" 1
693 1 14 TYR HB2 1 58 PHE QE . . 4.780 3.571 3.093 3.883 . 0 0 "[ . 1 . 2]" 1
694 1 55 PRO HG2 1 58 PHE QE . . 5.020 3.853 3.711 4.222 . 0 0 "[ . 1 . 2]" 1
695 1 9 THR HB 1 62 LEU HB2 . . 4.960 3.476 2.536 4.058 . 0 0 "[ . 1 . 2]" 1
696 1 10 TYR HB2 1 59 VAL MG2 . . 4.460 3.493 3.106 3.857 . 0 0 "[ . 1 . 2]" 1
697 1 10 TYR HB2 1 34 LEU MD1 . . 5.320 3.737 3.383 4.043 . 0 0 "[ . 1 . 2]" 1
698 1 9 THR MG 1 10 TYR QD . . 5.390 4.361 3.975 4.707 . 0 0 "[ . 1 . 2]" 1
699 1 10 TYR HA 1 11 VAL MG1 . . 4.540 3.789 3.670 3.943 . 0 0 "[ . 1 . 2]" 1
700 1 11 VAL MG1 1 12 ALA HA . . 4.940 4.375 4.091 4.550 . 0 0 "[ . 1 . 2]" 1
701 1 11 VAL MG1 1 62 LEU HA . . 5.310 4.364 3.578 4.992 . 0 0 "[ . 1 . 2]" 1
702 1 11 VAL MG1 1 29 GLY HA2 . . 5.090 4.936 4.547 5.095 0.005 16 0 "[ . 1 . 2]" 1
703 1 12 ALA HA 1 13 LEU HB2 . . 5.420 4.656 4.542 4.768 . 0 0 "[ . 1 . 2]" 1
704 1 12 ALA HA 1 13 LEU HG . . 4.640 3.744 3.366 3.966 . 0 0 "[ . 1 . 2]" 1
705 1 12 ALA MB 1 13 LEU HA . . 5.050 4.332 4.051 4.486 . 0 0 "[ . 1 . 2]" 1
706 1 13 LEU HA 1 28 PRO HA . . 4.580 3.727 3.465 4.021 . 0 0 "[ . 1 . 2]" 1
707 1 13 LEU HA 1 29 GLY H . . 4.870 4.631 4.366 4.871 0.001 14 0 "[ . 1 . 2]" 1
708 1 13 LEU HB3 1 14 TYR QD . . 4.650 3.768 3.536 4.097 . 0 0 "[ . 1 . 2]" 1
709 1 13 LEU HA 1 13 LEU MD1 . . 4.700 3.939 3.880 3.978 . 0 0 "[ . 1 . 2]" 1
710 1 13 LEU MD1 1 59 VAL HA . . 4.840 3.196 2.850 3.649 . 0 0 "[ . 1 . 2]" 1
711 1 13 LEU MD1 1 14 TYR QD . . 4.710 3.682 3.434 3.962 . 0 0 "[ . 1 . 2]" 1
712 1 13 LEU MD2 1 60 GLN QG . . 4.430 3.296 1.981 4.033 . 0 0 "[ . 1 . 2]" 1
713 1 13 LEU MD2 1 60 GLN HE21 . . 5.020 3.710 2.226 4.795 . 0 0 "[ . 1 . 2]" 1
714 1 14 TYR HB2 1 58 PHE HB3 . . 4.960 4.400 4.071 4.700 . 0 0 "[ . 1 . 2]" 1
715 1 13 LEU HB3 1 14 TYR QE . . 4.590 3.332 2.980 3.688 . 0 0 "[ . 1 . 2]" 1
716 1 15 LYS HG2 1 17 VAL H . . 5.110 4.685 4.409 5.107 . 0 0 "[ . 1 . 2]" 1
717 1 15 LYS HA 1 15 LYS QD . . 4.680 4.004 3.698 4.146 . 0 0 "[ . 1 . 2]" 1
718 1 16 PHE HA 1 58 PHE QD . . 5.060 3.615 3.316 3.920 . 0 0 "[ . 1 . 2]" 1
719 1 16 PHE HB3 1 58 PHE QE . . 5.220 5.021 4.662 5.225 0.005 18 0 "[ . 1 . 2]" 1
720 1 16 PHE HB3 1 58 PHE QD . . 4.510 4.422 4.079 4.513 0.003 9 0 "[ . 1 . 2]" 1
721 1 17 VAL HA 1 18 PRO HG2 . . 4.940 4.120 4.115 4.166 . 0 0 "[ . 1 . 2]" 1
722 1 17 VAL HA 1 26 MET H . . 5.050 5.020 4.384 5.064 0.014 15 0 "[ . 1 . 2]" 1
723 1 17 VAL HB 1 18 PRO HD2 . . 4.870 4.668 4.355 4.728 . 0 0 "[ . 1 . 2]" 1
724 1 16 PHE HA 1 17 VAL HB . . 4.800 4.591 4.543 4.716 . 0 0 "[ . 1 . 2]" 1
725 1 16 PHE QE 1 17 VAL HB . . 5.500 5.425 5.118 5.503 0.003 11 0 "[ . 1 . 2]" 1
726 1 17 VAL MG2 1 25 GLU HG3 . . 4.870 4.184 3.754 4.353 . 0 0 "[ . 1 . 2]" 1
727 1 17 VAL MG2 1 18 PRO HD2 . . 4.430 3.873 3.652 4.023 . 0 0 "[ . 1 . 2]" 1
728 1 16 PHE HA 1 17 VAL MG2 . . 4.400 3.581 3.337 3.693 . 0 0 "[ . 1 . 2]" 1
729 1 15 LYS HG3 1 17 VAL MG2 . . 4.120 3.943 3.641 4.122 0.002 2 0 "[ . 1 . 2]" 1
730 1 16 PHE QE 1 17 VAL MG1 . . 5.400 5.239 4.974 5.391 . 0 0 "[ . 1 . 2]" 1
731 1 16 PHE QE 1 18 PRO HB3 . . 4.540 2.851 2.573 3.435 . 0 0 "[ . 1 . 2]" 1
732 1 18 PRO HB3 1 19 GLN H . . 4.660 4.209 4.072 4.309 . 0 0 "[ . 1 . 2]" 1
733 1 16 PHE QE 1 18 PRO HB2 . . 5.500 4.152 3.946 4.642 . 0 0 "[ . 1 . 2]" 1
734 1 18 PRO HB2 1 23 ASP H . . 5.500 3.851 3.484 4.034 . 0 0 "[ . 1 . 2]" 1
735 1 18 PRO HG2 1 25 GLU H . . 5.000 4.485 4.097 4.819 . 0 0 "[ . 1 . 2]" 1
736 1 18 PRO HG3 1 25 GLU H . . 5.000 2.827 2.550 3.107 . 0 0 "[ . 1 . 2]" 1
737 1 18 PRO HG3 1 25 GLU HA . . 4.580 2.887 2.667 3.280 . 0 0 "[ . 1 . 2]" 1
738 1 17 VAL HA 1 18 PRO HG3 . . 4.940 4.423 4.319 4.455 . 0 0 "[ . 1 . 2]" 1
739 1 18 PRO HD2 1 26 MET H . . 5.400 4.952 4.798 5.117 . 0 0 "[ . 1 . 2]" 1
740 1 20 GLU H 1 20 GLU HG2 . . 4.410 3.515 1.931 4.375 . 0 0 "[ . 1 . 2]" 1
741 1 22 GLU HB2 1 53 PHE QE . . 5.110 4.240 2.779 5.020 . 0 0 "[ . 1 . 2]" 1
742 1 22 GLU HB3 1 53 PHE QE . . 5.110 2.957 2.407 4.584 . 0 0 "[ . 1 . 2]" 1
743 1 23 ASP HA 1 24 LEU HB2 . . 4.820 4.699 4.607 4.789 . 0 0 "[ . 1 . 2]" 1
744 1 18 PRO HB2 1 23 ASP HA . . 5.160 4.688 4.470 4.979 . 0 0 "[ . 1 . 2]" 1
745 1 23 ASP HA 1 52 GLY HA3 . . 4.590 4.107 3.690 4.297 . 0 0 "[ . 1 . 2]" 1
746 1 23 ASP HA 1 24 LEU HA . . 4.860 4.410 4.379 4.433 . 0 0 "[ . 1 . 2]" 1
747 1 24 LEU HA 1 24 LEU MD2 . . 4.610 3.999 3.943 4.034 . 0 0 "[ . 1 . 2]" 1
748 1 24 LEU HB3 1 54 PHE HB2 . . 4.960 4.432 4.207 4.641 . 0 0 "[ . 1 . 2]" 1
749 1 24 LEU HB3 1 52 GLY HA3 . . 4.810 3.295 3.088 3.537 . 0 0 "[ . 1 . 2]" 1
750 1 24 LEU HB3 1 54 PHE QD . . 4.450 2.997 2.288 3.691 . 0 0 "[ . 1 . 2]" 1
751 1 24 LEU HB2 1 54 PHE HB3 . . 4.650 4.418 4.169 4.612 . 0 0 "[ . 1 . 2]" 1
752 1 24 LEU HG 1 25 GLU HA . . 5.500 3.884 3.648 4.264 . 0 0 "[ . 1 . 2]" 1
753 1 24 LEU MD2 1 45 GLY HA3 . . 4.850 3.785 3.313 4.220 . 0 0 "[ . 1 . 2]" 1
754 1 24 LEU H 1 24 LEU MD1 . . 4.630 4.408 4.293 4.484 . 0 0 "[ . 1 . 2]" 1
755 1 24 LEU MD1 1 54 PHE QD . . 4.720 4.475 4.094 4.725 0.005 18 0 "[ . 1 . 2]" 1
756 1 24 LEU MD1 1 50 ARG HA . . 4.730 3.544 3.117 3.716 . 0 0 "[ . 1 . 2]" 1
757 1 24 LEU MD1 1 52 GLY HA3 . . 4.310 3.538 3.235 3.822 . 0 0 "[ . 1 . 2]" 1
758 1 24 LEU MD1 1 50 ARG QD . . 4.710 3.539 2.515 4.428 . 0 0 "[ . 1 . 2]" 1
759 1 16 PHE QD 1 25 GLU HA . . 4.440 2.882 2.561 3.340 . 0 0 "[ . 1 . 2]" 1
760 1 16 PHE HB3 1 25 GLU HA . . 4.860 2.987 2.710 3.763 . 0 0 "[ . 1 . 2]" 1
761 1 25 GLU HA 1 26 MET HA . . 5.000 4.403 4.389 4.437 . 0 0 "[ . 1 . 2]" 1
762 1 25 GLU HB2 1 26 MET H . . 5.140 4.361 4.238 4.528 . 0 0 "[ . 1 . 2]" 1
763 1 17 VAL MG1 1 25 GLU HG3 . . 5.060 4.653 3.799 4.900 . 0 0 "[ . 1 . 2]" 1
764 1 18 PRO HD3 1 25 GLU HG2 . . 4.470 4.185 3.732 4.490 0.020 18 0 "[ . 1 . 2]" 1
765 1 25 GLU H 1 25 GLU HG2 . . 4.900 4.565 4.425 4.673 . 0 0 "[ . 1 . 2]" 1
766 1 25 GLU HA 1 26 MET HB3 . . 5.220 4.948 4.823 5.115 . 0 0 "[ . 1 . 2]" 1
767 1 16 PHE HB3 1 26 MET HB3 . . 4.630 4.551 4.420 4.633 0.003 19 0 "[ . 1 . 2]" 1
768 1 16 PHE HB2 1 26 MET HB2 . . 4.960 4.679 4.462 4.961 0.001 17 0 "[ . 1 . 2]" 1
769 1 12 ALA HA 1 26 MET HB2 . . 5.460 4.642 4.410 4.974 . 0 0 "[ . 1 . 2]" 1
770 1 15 LYS HA 1 26 MET HB2 . . 5.500 4.478 4.139 5.111 . 0 0 "[ . 1 . 2]" 1
771 1 24 LEU MD2 1 26 MET HG3 . . 5.500 5.035 4.740 5.470 . 0 0 "[ . 1 . 2]" 1
772 1 26 MET HG3 1 59 VAL MG1 . . 5.500 4.690 4.354 4.950 . 0 0 "[ . 1 . 2]" 1
773 1 26 MET HG3 1 32 ILE MD . . 5.100 4.350 3.995 4.816 . 0 0 "[ . 1 . 2]" 1
774 1 16 PHE QD 1 26 MET HG3 . . 4.370 4.117 3.943 4.333 . 0 0 "[ . 1 . 2]" 1
775 1 15 LYS HA 1 26 MET HG3 . . 5.120 3.851 3.480 4.370 . 0 0 "[ . 1 . 2]" 1
776 1 25 GLU HA 1 26 MET HG3 . . 5.500 4.478 4.221 4.779 . 0 0 "[ . 1 . 2]" 1
777 1 24 LEU MD2 1 26 MET HG2 . . 4.680 3.800 3.350 4.252 . 0 0 "[ . 1 . 2]" 1
778 1 16 PHE HB3 1 26 MET HG2 . . 3.980 2.227 2.002 2.439 . 0 0 "[ . 1 . 2]" 1
779 1 16 PHE HB2 1 26 MET HG2 . . 4.560 3.032 2.779 3.583 . 0 0 "[ . 1 . 2]" 1
780 1 16 PHE QD 1 26 MET HG2 . . 4.750 3.852 3.546 4.112 . 0 0 "[ . 1 . 2]" 1
781 1 26 MET ME 1 32 ILE MD . . 3.960 3.756 3.255 3.965 0.005 13 0 "[ . 1 . 2]" 1
782 1 26 MET ME 1 58 PHE HB2 . . 3.260 2.213 1.967 2.377 . 0 0 "[ . 1 . 2]" 1
783 1 12 ALA HA 1 26 MET ME . . 4.070 3.650 3.158 4.064 . 0 0 "[ . 1 . 2]" 1
784 1 26 MET ME 1 54 PHE HA . . 4.520 4.116 3.693 4.485 . 0 0 "[ . 1 . 2]" 1
785 1 26 MET ME 1 58 PHE HA . . 4.560 4.061 3.905 4.193 . 0 0 "[ . 1 . 2]" 1
786 1 26 MET ME 1 54 PHE QD . . 3.340 2.898 2.087 3.294 . 0 0 "[ . 1 . 2]" 1
787 1 14 TYR H 1 26 MET ME . . 4.300 3.910 3.656 4.164 . 0 0 "[ . 1 . 2]" 1
788 1 26 MET ME 1 58 PHE QD . . 3.360 2.312 1.955 2.576 . 0 0 "[ . 1 . 2]" 1
789 1 16 PHE H 1 26 MET ME . . 4.240 3.838 3.619 4.132 . 0 0 "[ . 1 . 2]" 1
790 1 26 MET ME 1 58 PHE QE . . 4.330 4.044 3.727 4.307 . 0 0 "[ . 1 . 2]" 1
791 1 16 PHE H 1 27 ARG HA . . 4.610 3.653 3.228 4.005 . 0 0 "[ . 1 . 2]" 1
792 1 27 ARG H 1 27 ARG QD . . 4.740 4.319 2.683 4.746 0.006 13 0 "[ . 1 . 2]" 1
793 1 11 VAL MG2 1 28 PRO HA . . 4.920 4.465 4.198 4.828 . 0 0 "[ . 1 . 2]" 1
794 1 16 PHE H 1 28 PRO HD3 . . 5.060 4.742 4.209 4.984 . 0 0 "[ . 1 . 2]" 1
795 1 26 MET HA 1 30 ASP HB2 . . 4.950 4.319 4.065 4.471 . 0 0 "[ . 1 . 2]" 1
796 1 26 MET HA 1 30 ASP HB3 . . 5.160 4.831 4.534 5.063 . 0 0 "[ . 1 . 2]" 1
797 1 31 ILE HB 1 32 ILE HA . . 5.500 4.784 4.607 4.923 . 0 0 "[ . 1 . 2]" 1
798 1 32 ILE HB 1 54 PHE HZ . . 5.060 4.037 3.768 4.529 . 0 0 "[ . 1 . 2]" 1
799 1 32 ILE MD 1 54 PHE QD . . 5.470 4.385 3.626 5.067 . 0 0 "[ . 1 . 2]" 1
800 1 32 ILE MD 1 54 PHE HZ . . 5.500 4.450 3.716 5.078 . 0 0 "[ . 1 . 2]" 1
801 1 32 ILE MD 1 54 PHE QE . . 4.680 4.070 3.358 4.683 0.003 1 0 "[ . 1 . 2]" 1
802 1 33 THR HB 1 35 LEU MD2 . . 4.810 3.197 2.716 3.821 . 0 0 "[ . 1 . 2]" 1
803 1 34 LEU HA 1 36 GLU H . . 4.600 4.132 3.881 4.350 . 0 0 "[ . 1 . 2]" 1
804 1 34 LEU HA 1 46 LYS H . . 4.760 4.381 4.073 4.754 . 0 0 "[ . 1 . 2]" 1
805 1 34 LEU HA 1 45 GLY HA2 . . 3.700 2.761 2.473 3.240 . 0 0 "[ . 1 . 2]" 1
806 1 10 TYR QD 1 34 LEU HB2 . . 4.490 2.420 2.022 2.738 . 0 0 "[ . 1 . 2]" 1
807 1 34 LEU H 1 34 LEU HG . . 4.840 4.540 4.491 4.576 . 0 0 "[ . 1 . 2]" 1
808 1 34 LEU HG 1 36 GLU H . . 4.720 3.818 3.372 4.129 . 0 0 "[ . 1 . 2]" 1
809 1 34 LEU MD1 1 43 TRP HA . . 4.610 4.008 3.578 4.426 . 0 0 "[ . 1 . 2]" 1
810 1 34 LEU MD1 1 45 GLY HA3 . . 4.700 3.995 3.554 4.498 . 0 0 "[ . 1 . 2]" 1
811 1 34 LEU MD1 1 45 GLY HA2 . . 4.860 3.994 3.606 4.606 . 0 0 "[ . 1 . 2]" 1
812 1 35 LEU H 1 35 LEU MD2 . . 4.790 3.631 3.452 3.839 . 0 0 "[ . 1 . 2]" 1
813 1 35 LEU MD2 1 46 LYS H . . 4.880 3.958 3.499 4.329 . 0 0 "[ . 1 . 2]" 1
814 1 36 GLU HB3 1 44 LYS HB3 . . 4.640 2.406 2.000 4.225 . 0 0 "[ . 1 . 2]" 1
815 1 34 LEU MD2 1 37 ASP HA . . 4.820 3.820 3.639 4.031 . 0 0 "[ . 1 . 2]" 1
816 1 34 LEU MD1 1 37 ASP HA . . 4.600 3.742 3.269 4.053 . 0 0 "[ . 1 . 2]" 1
817 1 37 ASP HA 1 43 TRP HB3 . . 4.840 3.617 2.795 4.216 . 0 0 "[ . 1 . 2]" 1
818 1 37 ASP HA 1 39 ASN H . . 4.830 3.667 3.185 4.219 . 0 0 "[ . 1 . 2]" 1
819 1 37 ASP HA 1 43 TRP HE1 . . 4.840 3.809 3.029 4.308 . 0 0 "[ . 1 . 2]" 1
820 1 56 ALA MB 1 57 ASN H . . 4.170 2.925 2.654 3.209 . 0 0 "[ . 1 . 2]" 1
821 1 41 ASP HA 1 56 ALA H . . 4.730 4.463 4.059 4.720 . 0 0 "[ . 1 . 2]" 1
822 1 41 ASP HB2 1 42 TRP HE1 . . 5.110 4.547 3.456 5.130 0.020 8 0 "[ . 1 . 2]" 1
823 1 42 TRP HB3 1 43 TRP H . . 4.840 3.024 2.681 3.497 . 0 0 "[ . 1 . 2]" 1
824 1 43 TRP HA 1 43 TRP HE1 . . 4.890 4.622 4.508 4.762 . 0 0 "[ . 1 . 2]" 1
825 1 43 TRP HB3 1 54 PHE QE . . 4.750 4.145 3.515 4.599 . 0 0 "[ . 1 . 2]" 1
826 1 43 TRP HB2 1 54 PHE HZ . . 4.490 3.720 3.253 4.054 . 0 0 "[ . 1 . 2]" 1
827 1 43 TRP HB2 1 54 PHE QE . . 4.810 3.216 2.491 3.688 . 0 0 "[ . 1 . 2]" 1
828 1 44 LYS HB2 1 53 PHE QE . . 5.200 3.224 2.374 3.771 . 0 0 "[ . 1 . 2]" 1
829 1 36 GLU HB2 1 44 LYS HB3 . . 4.480 2.840 2.342 3.139 . 0 0 "[ . 1 . 2]" 1
830 1 44 LYS HG2 1 52 GLY H . . 5.150 4.554 3.653 5.149 . 0 0 "[ . 1 . 2]" 1
831 1 44 LYS QD 1 53 PHE HZ . . 4.610 3.931 2.910 4.541 . 0 0 "[ . 1 . 2]" 1
832 1 35 LEU MD1 1 45 GLY HA3 . . 4.440 4.035 3.563 4.373 . 0 0 "[ . 1 . 2]" 1
833 1 45 GLY HA3 1 54 PHE QD . . 4.590 4.189 3.686 4.576 . 0 0 "[ . 1 . 2]" 1
834 1 24 LEU MD2 1 46 LYS HA . . 4.280 3.926 3.358 4.211 . 0 0 "[ . 1 . 2]" 1
835 1 46 LYS HB3 1 47 ILE H . . 4.960 4.190 3.580 4.411 . 0 0 "[ . 1 . 2]" 1
836 1 46 LYS HB2 1 51 ILE HA . . 5.020 5.021 5.011 5.028 0.008 16 0 "[ . 1 . 2]" 1
837 1 46 LYS HB2 1 47 ILE H . . 4.650 4.174 3.871 4.322 . 0 0 "[ . 1 . 2]" 1
838 1 46 LYS QG 1 51 ILE MD . . 3.650 2.682 2.252 3.322 . 0 0 "[ . 1 . 2]" 1
839 1 33 THR HB 1 46 LYS QD . . 4.850 4.304 3.549 4.853 0.003 9 0 "[ . 1 . 2]" 1
840 1 47 ILE HA 1 48 GLN QG . . 4.740 4.164 3.949 4.295 . 0 0 "[ . 1 . 2]" 1
841 1 47 ILE HA 1 48 GLN HA . . 4.650 4.298 4.295 4.302 . 0 0 "[ . 1 . 2]" 1
842 1 32 ILE HA 1 47 ILE HG12 . . 4.530 2.916 2.634 3.090 . 0 0 "[ . 1 . 2]" 1
843 1 26 MET HB3 1 47 ILE MG . . 4.690 4.544 4.381 4.690 . 0 0 "[ . 1 . 2]" 1
844 1 47 ILE MG 1 48 GLN HB3 . . 4.610 4.013 3.897 4.261 . 0 0 "[ . 1 . 2]" 1
845 1 30 ASP HB2 1 47 ILE MG . . 4.890 4.547 4.181 4.831 . 0 0 "[ . 1 . 2]" 1
846 1 32 ILE HA 1 47 ILE MG . . 4.730 4.127 3.752 4.558 . 0 0 "[ . 1 . 2]" 1
847 1 47 ILE MG 1 50 ARG HA . . 5.200 4.722 4.382 5.130 . 0 0 "[ . 1 . 2]" 1
848 1 32 ILE MD 1 47 ILE MD . . 3.590 3.102 2.742 3.504 . 0 0 "[ . 1 . 2]" 1
849 1 47 ILE HB 1 47 ILE MD . . 3.230 2.437 2.328 2.529 . 0 0 "[ . 1 . 2]" 1
850 1 26 MET HG3 1 47 ILE MD . . 4.810 4.694 4.503 4.813 0.003 16 0 "[ . 1 . 2]" 1
851 1 26 MET HB2 1 47 ILE MD . . 4.100 3.515 3.204 3.673 . 0 0 "[ . 1 . 2]" 1
852 1 32 ILE HA 1 47 ILE MD . . 4.480 4.214 3.849 4.479 . 0 0 "[ . 1 . 2]" 1
853 1 48 GLN HB3 1 49 ASP QB . . 4.640 3.943 3.490 4.352 . 0 0 "[ . 1 . 2]" 1
854 1 24 LEU MD1 1 50 ARG HG2 . . 4.970 3.565 2.950 4.374 . 0 0 "[ . 1 . 2]" 1
855 1 24 LEU MD1 1 50 ARG HG3 . . 4.970 3.845 3.443 4.397 . 0 0 "[ . 1 . 2]" 1
856 1 46 LYS QG 1 51 ILE HA . . 4.440 4.184 3.851 4.440 0.000 17 0 "[ . 1 . 2]" 1
857 1 24 LEU MD2 1 51 ILE HA . . 4.700 3.194 2.793 3.473 . 0 0 "[ . 1 . 2]" 1
858 1 50 ARG HA 1 51 ILE HB . . 4.940 4.612 4.374 4.786 . 0 0 "[ . 1 . 2]" 1
859 1 45 GLY H 1 51 ILE MG . . 4.930 4.416 4.220 4.608 . 0 0 "[ . 1 . 2]" 1
860 1 51 ILE H 1 51 ILE MG . . 4.410 3.957 3.868 4.028 . 0 0 "[ . 1 . 2]" 1
861 1 46 LYS HA 1 51 ILE MD . . 4.800 4.067 3.748 4.452 . 0 0 "[ . 1 . 2]" 1
862 1 24 LEU H 1 52 GLY HA2 . . 5.500 5.355 5.017 5.502 0.002 8 0 "[ . 1 . 2]" 1
863 1 52 GLY HA2 1 53 PHE QD . . 5.250 4.249 3.876 4.472 . 0 0 "[ . 1 . 2]" 1
864 1 52 GLY HA3 1 53 PHE QD . . 5.130 4.596 4.297 4.881 . 0 0 "[ . 1 . 2]" 1
865 1 23 ASP HA 1 52 GLY HA2 . . 5.230 5.099 4.702 5.237 0.007 9 0 "[ . 1 . 2]" 1
866 1 24 LEU HB3 1 52 GLY HA2 . . 5.090 4.625 4.355 4.880 . 0 0 "[ . 1 . 2]" 1
867 1 44 LYS HG3 1 53 PHE HA . . 5.190 3.280 2.573 4.153 . 0 0 "[ . 1 . 2]" 1
868 1 44 LYS HG2 1 53 PHE HA . . 5.190 4.486 3.416 5.115 . 0 0 "[ . 1 . 2]" 1
869 1 23 ASP HA 1 53 PHE QD . . 5.340 3.385 3.016 3.945 . 0 0 "[ . 1 . 2]" 1
870 1 24 LEU MD2 1 54 PHE HB3 . . 4.470 2.837 2.438 3.375 . 0 0 "[ . 1 . 2]" 1
871 1 24 LEU H 1 54 PHE HB3 . . 4.860 3.719 3.497 4.317 . 0 0 "[ . 1 . 2]" 1
872 1 24 LEU MD2 1 54 PHE HB2 . . 5.090 3.986 3.607 4.512 . 0 0 "[ . 1 . 2]" 1
873 1 54 PHE HB2 1 59 VAL MG1 . . 5.500 3.963 3.675 4.486 . 0 0 "[ . 1 . 2]" 1
874 1 55 PRO HA 1 56 ALA HA . . 4.680 4.358 4.346 4.398 . 0 0 "[ . 1 . 2]" 1
875 1 42 TRP H 1 55 PRO HA . . 5.500 4.835 4.541 5.409 . 0 0 "[ . 1 . 2]" 1
876 1 55 PRO HA 1 57 ASN H . . 5.500 3.849 3.499 4.118 . 0 0 "[ . 1 . 2]" 1
877 1 42 TRP HE3 1 55 PRO HB3 . . 5.300 4.508 4.266 4.759 . 0 0 "[ . 1 . 2]" 1
878 1 55 PRO HB3 1 58 PHE QD . . 5.500 4.082 3.603 4.586 . 0 0 "[ . 1 . 2]" 1
879 1 55 PRO HB3 1 56 ALA H . . 4.660 3.800 3.651 4.066 . 0 0 "[ . 1 . 2]" 1
880 1 26 MET ME 1 55 PRO HB2 . . 4.890 4.727 4.464 4.899 0.009 9 0 "[ . 1 . 2]" 1
881 1 55 PRO HB2 1 57 ASN H . . 5.030 2.687 2.274 2.928 . 0 0 "[ . 1 . 2]" 1
882 1 55 PRO HG3 1 58 PHE HB3 . . 5.500 4.924 4.829 5.103 . 0 0 "[ . 1 . 2]" 1
883 1 42 TRP HZ3 1 55 PRO HG3 . . 4.670 4.514 3.960 4.673 0.003 19 0 "[ . 1 . 2]" 1
884 1 16 PHE QE 1 55 PRO HG3 . . 4.860 2.038 1.995 2.446 . 0 0 "[ . 1 . 2]" 1
885 1 55 PRO HG3 1 58 PHE QD . . 5.080 3.316 3.028 3.767 . 0 0 "[ . 1 . 2]" 1
886 1 55 PRO HG2 1 58 PHE HB2 . . 4.780 2.031 1.995 2.143 . 0 0 "[ . 1 . 2]" 1
887 1 55 PRO HG2 1 58 PHE QD . . 4.690 2.642 2.400 3.066 . 0 0 "[ . 1 . 2]" 1
888 1 16 PHE QE 1 55 PRO HG2 . . 4.750 3.393 3.246 3.701 . 0 0 "[ . 1 . 2]" 1
889 1 16 PHE QD 1 55 PRO HG2 . . 5.140 3.101 2.997 3.280 . 0 0 "[ . 1 . 2]" 1
890 1 16 PHE HB2 1 55 PRO HD3 . . 5.350 5.316 5.067 5.354 0.004 11 0 "[ . 1 . 2]" 1
891 1 54 PHE QD 1 55 PRO HD3 . . 4.810 4.643 4.403 4.799 . 0 0 "[ . 1 . 2]" 1
892 1 42 TRP HE3 1 55 PRO HD3 . . 4.920 3.317 3.061 3.508 . 0 0 "[ . 1 . 2]" 1
893 1 16 PHE QD 1 55 PRO HD3 . . 4.760 3.567 3.328 3.806 . 0 0 "[ . 1 . 2]" 1
894 1 16 PHE HB2 1 55 PRO HD2 . . 4.450 4.078 3.874 4.216 . 0 0 "[ . 1 . 2]" 1
895 1 42 TRP HZ3 1 55 PRO HD2 . . 4.680 4.122 3.586 4.427 . 0 0 "[ . 1 . 2]" 1
896 1 42 TRP HE3 1 55 PRO HD2 . . 4.990 4.519 4.252 4.757 . 0 0 "[ . 1 . 2]" 1
897 1 55 PRO HD2 1 58 PHE QD . . 5.320 4.242 4.078 4.507 . 0 0 "[ . 1 . 2]" 1
898 1 16 PHE QE 1 55 PRO HD2 . . 4.830 2.989 2.692 3.432 . 0 0 "[ . 1 . 2]" 1
899 1 43 TRP HB2 1 56 ALA HA . . 4.610 3.860 3.422 4.217 . 0 0 "[ . 1 . 2]" 1
900 1 56 ALA HA 1 59 VAL MG1 . . 4.850 3.846 3.632 4.001 . 0 0 "[ . 1 . 2]" 1
901 1 43 TRP HE3 1 56 ALA HA . . 4.460 3.271 2.733 3.635 . 0 0 "[ . 1 . 2]" 1
902 1 56 ALA MB 1 57 ASN HA . . 4.720 3.864 3.761 4.014 . 0 0 "[ . 1 . 2]" 1
903 1 57 ASN HA 1 59 VAL MG2 . . 4.950 4.756 4.378 4.947 . 0 0 "[ . 1 . 2]" 1
904 1 13 LEU HB3 1 58 PHE HA . . 5.360 5.007 4.641 5.293 . 0 0 "[ . 1 . 2]" 1
905 1 13 LEU MD1 1 58 PHE HA . . 4.320 3.156 2.527 3.928 . 0 0 "[ . 1 . 2]" 1
906 1 13 LEU HB2 1 58 PHE HA . . 4.540 3.370 3.087 3.601 . 0 0 "[ . 1 . 2]" 1
907 1 13 LEU H 1 58 PHE HA . . 4.960 4.245 3.972 4.518 . 0 0 "[ . 1 . 2]" 1
908 1 58 PHE HA 1 58 PHE QE . . 4.980 4.431 4.300 4.488 . 0 0 "[ . 1 . 2]" 1
909 1 55 PRO HD2 1 58 PHE HB2 . . 4.860 3.488 3.294 3.685 . 0 0 "[ . 1 . 2]" 1
910 1 55 PRO HB2 1 58 PHE HB2 . . 5.210 3.484 3.302 3.730 . 0 0 "[ . 1 . 2]" 1
911 1 55 PRO HG2 1 58 PHE HB3 . . 5.080 3.417 3.321 3.574 . 0 0 "[ . 1 . 2]" 1
912 1 58 PHE HB3 1 59 VAL MG1 . . 4.550 3.166 2.988 3.298 . 0 0 "[ . 1 . 2]" 1
913 1 55 PRO HB2 1 58 PHE HB3 . . 5.500 5.127 4.969 5.359 . 0 0 "[ . 1 . 2]" 1
914 1 58 PHE HB3 1 59 VAL MG2 . . 5.500 4.800 4.649 5.075 . 0 0 "[ . 1 . 2]" 1
915 1 55 PRO HD2 1 58 PHE HB3 . . 4.960 4.498 4.272 4.653 . 0 0 "[ . 1 . 2]" 1
916 1 16 PHE QD 1 58 PHE QD . . 4.930 2.761 2.534 3.090 . 0 0 "[ . 1 . 2]" 1
917 1 14 TYR QD 1 58 PHE QE . . 5.010 4.387 3.982 4.729 . 0 0 "[ . 1 . 2]" 1
918 1 11 VAL MG1 1 59 VAL HA . . 4.810 4.177 3.933 4.426 . 0 0 "[ . 1 . 2]" 1
919 1 13 LEU HB2 1 59 VAL HA . . 5.040 4.011 3.759 4.293 . 0 0 "[ . 1 . 2]" 1
920 1 12 ALA MB 1 59 VAL HA . . 4.690 4.088 3.754 4.459 . 0 0 "[ . 1 . 2]" 1
921 1 10 TYR HB3 1 59 VAL HA . . 5.020 4.586 4.324 4.826 . 0 0 "[ . 1 . 2]" 1
922 1 58 PHE HA 1 59 VAL HA . . 5.310 4.570 4.425 4.596 . 0 0 "[ . 1 . 2]" 1
923 1 59 VAL HA 1 60 GLN HA . . 5.500 4.466 4.397 4.543 . 0 0 "[ . 1 . 2]" 1
924 1 32 ILE MD 1 59 VAL HB . . 5.500 3.803 3.196 4.095 . 0 0 "[ . 1 . 2]" 1
925 1 10 TYR HA 1 59 VAL HB . . 5.210 4.399 4.190 4.731 . 0 0 "[ . 1 . 2]" 1
926 1 59 VAL HB 1 60 GLN HA . . 5.500 4.489 4.405 4.609 . 0 0 "[ . 1 . 2]" 1
927 1 10 TYR HB2 1 59 VAL MG1 . . 4.720 3.856 3.618 3.977 . 0 0 "[ . 1 . 2]" 1
928 1 10 TYR HB3 1 59 VAL MG1 . . 4.160 3.392 3.184 3.608 . 0 0 "[ . 1 . 2]" 1
929 1 58 PHE HB2 1 59 VAL MG1 . . 4.480 3.183 2.998 3.478 . 0 0 "[ . 1 . 2]" 1
930 1 56 ALA MB 1 59 VAL MG2 . . 4.900 3.214 3.013 3.369 . 0 0 "[ . 1 . 2]" 1
931 1 32 ILE MD 1 59 VAL MG2 . . 4.520 4.257 3.703 4.526 0.006 1 0 "[ . 1 . 2]" 1
932 1 59 VAL MG2 1 60 GLN HA . . 4.510 3.590 3.257 3.984 . 0 0 "[ . 1 . 2]" 1
933 1 58 PHE H 1 59 VAL MG2 . . 4.690 3.695 3.148 4.026 . 0 0 "[ . 1 . 2]" 1
934 1 11 VAL H 1 59 VAL MG2 . . 5.010 4.708 4.029 5.008 . 0 0 "[ . 1 . 2]" 1
935 1 11 VAL MG1 1 60 GLN HB3 . . 4.260 2.832 2.426 3.835 . 0 0 "[ . 1 . 2]" 1
936 1 11 VAL H 1 61 ARG HA . . 4.720 4.438 4.007 4.668 . 0 0 "[ . 1 . 2]" 1
937 1 10 TYR QE 1 61 ARG HA . . 4.380 2.956 2.629 3.235 . 0 0 "[ . 1 . 2]" 1
938 1 10 TYR HB3 1 61 ARG HA . . 4.700 4.055 3.788 4.238 . 0 0 "[ . 1 . 2]" 1
939 1 60 GLN HA 1 61 ARG HB2 . . 5.120 4.530 4.253 4.703 . 0 0 "[ . 1 . 2]" 1
940 1 60 GLN HA 1 61 ARG HB3 . . 5.120 4.668 4.457 5.037 . 0 0 "[ . 1 . 2]" 1
941 1 10 TYR QE 1 61 ARG HG2 . . 4.810 4.298 3.408 4.778 . 0 0 "[ . 1 . 2]" 1
942 1 61 ARG QD 1 62 LEU H . . 4.620 4.130 2.514 4.624 0.004 11 0 "[ . 1 . 2]" 1
943 1 61 ARG HA 1 61 ARG QD . . 3.970 3.755 3.308 3.976 0.006 12 0 "[ . 1 . 2]" 1
944 1 9 THR HB 1 62 LEU HB3 . . 4.960 4.352 3.347 4.959 . 0 0 "[ . 1 . 2]" 1
945 1 14 TYR HB3 1 58 PHE QE . . 5.120 4.804 4.364 5.122 0.002 14 0 "[ . 1 . 2]" 1
946 1 14 TYR QD 1 58 PHE HB2 . . 5.070 4.709 4.236 5.049 . 0 0 "[ . 1 . 2]" 1
947 1 14 TYR H 1 58 PHE HB2 . . 5.500 5.248 5.103 5.385 . 0 0 "[ . 1 . 2]" 1
948 1 54 PHE QD 1 58 PHE HB2 . . 5.190 3.733 3.437 4.051 . 0 0 "[ . 1 . 2]" 1
949 1 54 PHE QD 1 58 PHE HB3 . . 5.160 4.739 4.356 5.096 . 0 0 "[ . 1 . 2]" 1
950 1 39 ASN HA 1 41 ASP H . . 5.040 4.302 3.547 4.856 . 0 0 "[ . 1 . 2]" 1
951 1 39 ASN HA 1 43 TRP HE1 . . 5.300 4.917 4.475 5.252 . 0 0 "[ . 1 . 2]" 1
952 1 23 ASP HA 1 24 LEU HB3 . . 5.200 4.243 4.174 4.358 . 0 0 "[ . 1 . 2]" 1
953 1 10 TYR QE 1 43 TRP HZ3 . . 4.420 2.290 2.000 2.639 . 0 0 "[ . 1 . 2]" 1
954 1 10 TYR QD 1 43 TRP HZ3 . . 3.780 3.380 2.958 3.772 . 0 0 "[ . 1 . 2]" 1
955 1 31 ILE HB 1 32 ILE H . . 5.350 4.176 3.920 4.429 . 0 0 "[ . 1 . 2]" 1
956 1 11 VAL HA 1 31 ILE MG . . 4.940 4.216 3.655 4.714 . 0 0 "[ . 1 . 2]" 1
957 1 9 THR HA 1 31 ILE MG . . 4.720 4.126 3.555 4.514 . 0 0 "[ . 1 . 2]" 1
958 1 31 ILE HG12 1 31 ILE MG . . 3.370 3.157 2.591 3.201 . 0 0 "[ . 1 . 2]" 1
959 1 31 ILE HG13 1 31 ILE MG . . 3.360 2.402 2.188 2.606 . 0 0 "[ . 1 . 2]" 1
960 1 30 ASP HA 1 31 ILE MD . . 4.880 4.192 2.716 4.585 . 0 0 "[ . 1 . 2]" 1
961 1 11 VAL HB 1 31 ILE MD . . 3.990 3.044 2.622 3.404 . 0 0 "[ . 1 . 2]" 1
962 1 32 ILE HA 1 33 THR HB . . 4.840 4.671 4.611 4.764 . 0 0 "[ . 1 . 2]" 1
963 1 11 VAL HA 1 31 ILE HG12 . . 5.500 5.233 4.794 5.507 0.007 18 0 "[ . 1 . 2]" 1
964 1 32 ILE HG12 1 47 ILE HG13 . . 4.700 3.515 2.733 4.238 . 0 0 "[ . 1 . 2]" 1
965 1 32 ILE MG 1 33 THR HB . . 4.930 4.125 3.950 4.292 . 0 0 "[ . 1 . 2]" 1
966 1 10 TYR HB3 1 32 ILE MG . . 4.920 4.707 4.299 4.916 . 0 0 "[ . 1 . 2]" 1
967 1 10 TYR HB3 1 32 ILE MD . . 4.800 4.141 3.861 4.372 . 0 0 "[ . 1 . 2]" 1
968 1 30 ASP HB3 1 32 ILE MD . . 4.490 3.640 2.032 4.343 . 0 0 "[ . 1 . 2]" 1
969 1 10 TYR HB2 1 32 ILE MD . . 4.240 3.984 3.740 4.148 . 0 0 "[ . 1 . 2]" 1
970 1 26 MET HG2 1 32 ILE MD . . 4.830 4.434 3.828 4.839 0.009 18 0 "[ . 1 . 2]" 1
971 1 32 ILE MD 1 47 ILE HG12 . . 5.000 3.777 3.554 4.034 . 0 0 "[ . 1 . 2]" 1
972 1 32 ILE MD 1 47 ILE HG13 . . 5.000 4.618 4.110 5.005 0.005 13 0 "[ . 1 . 2]" 1
973 1 8 ASN HB2 1 33 THR MG . . 5.500 5.356 4.656 5.500 . 0 0 "[ . 1 . 2]" 1
974 1 34 LEU HA 1 54 PHE HZ . . 5.240 3.722 3.328 4.193 . 0 0 "[ . 1 . 2]" 1
975 1 34 LEU HA 1 54 PHE QE . . 4.930 4.212 3.914 4.645 . 0 0 "[ . 1 . 2]" 1
976 1 34 LEU MD2 1 43 TRP HZ3 . . 5.240 4.312 3.708 4.761 . 0 0 "[ . 1 . 2]" 1
977 1 35 LEU HB2 1 45 GLY HA2 . . 4.960 3.342 2.988 3.665 . 0 0 "[ . 1 . 2]" 1
978 1 35 LEU HB3 1 45 GLY HA2 . . 4.960 4.637 4.427 4.891 . 0 0 "[ . 1 . 2]" 1
979 1 8 ASN HB2 1 34 LEU MD2 . . 4.910 2.607 2.005 3.312 . 0 0 "[ . 1 . 2]" 1
980 1 24 LEU HG 1 47 ILE MD . . 3.520 2.723 2.221 3.022 . 0 0 "[ . 1 . 2]" 1
981 1 24 LEU HG 1 26 MET HG2 . . 4.640 3.122 2.796 3.326 . 0 0 "[ . 1 . 2]" 1
982 1 24 LEU HG 1 26 MET HG3 . . 5.050 4.826 4.544 5.030 . 0 0 "[ . 1 . 2]" 1
983 1 25 GLU HA 1 26 MET HG2 . . 5.190 3.407 3.247 3.617 . 0 0 "[ . 1 . 2]" 1
984 1 26 MET HG3 1 27 ARG H . . 5.280 4.362 4.176 4.586 . 0 0 "[ . 1 . 2]" 1
985 1 16 PHE HB2 1 26 MET HG3 . . 4.780 2.302 2.113 2.623 . 0 0 "[ . 1 . 2]" 1
986 1 16 PHE HB2 1 26 MET H . . 4.740 3.663 3.502 4.286 . 0 0 "[ . 1 . 2]" 1
987 1 10 TYR QD 1 34 LEU HG . . 5.500 5.196 4.806 5.496 . 0 0 "[ . 1 . 2]" 1
988 1 34 LEU HG 1 54 PHE HZ . . 5.500 5.287 4.813 5.503 0.003 13 0 "[ . 1 . 2]" 1
989 1 10 TYR QE 1 34 LEU HG . . 5.420 4.556 4.193 4.774 . 0 0 "[ . 1 . 2]" 1
990 1 8 ASN HA 1 34 LEU QB . . 4.940 4.798 4.290 4.936 . 0 0 "[ . 1 . 2]" 1
991 1 8 ASN HB2 1 34 LEU QB . . 4.230 2.596 2.197 2.881 . 0 0 "[ . 1 . 2]" 1
992 1 8 ASN HB3 1 34 LEU QB . . 4.560 3.659 2.672 4.040 . 0 0 "[ . 1 . 2]" 1
993 1 8 ASN QD 1 34 LEU MD2 . . 4.640 3.425 2.165 4.394 . 0 0 "[ . 1 . 2]" 1
994 1 9 THR HB 1 62 LEU QD . . 4.180 3.021 2.070 4.088 . 0 0 "[ . 1 . 2]" 1
995 1 10 TYR HA 1 62 LEU QB . . 4.190 3.224 2.013 3.733 . 0 0 "[ . 1 . 2]" 1
996 1 10 TYR HA 1 62 LEU QD . . 4.680 2.831 1.976 3.465 . 0 0 "[ . 1 . 2]" 1
997 1 10 TYR QD 1 34 LEU QB . . 3.810 2.386 2.009 2.706 . 0 0 "[ . 1 . 2]" 1
998 1 10 TYR QD 1 61 ARG QG . . 5.340 4.171 3.734 4.497 . 0 0 "[ . 1 . 2]" 1
999 1 10 TYR QE 1 34 LEU QB . . 3.550 2.628 2.382 2.815 . 0 0 "[ . 1 . 2]" 1
1000 1 10 TYR QE 1 61 ARG QB . . 3.760 2.354 2.005 2.832 . 0 0 "[ . 1 . 2]" 1
1001 1 10 TYR QE 1 61 ARG QG . . 4.120 3.219 2.352 3.704 . 0 0 "[ . 1 . 2]" 1
1002 1 11 VAL H 1 60 GLN QB . . 4.600 4.186 3.615 4.599 . 0 0 "[ . 1 . 2]" 1
1003 1 11 VAL H 1 62 LEU QB . . 4.710 4.189 3.002 4.628 . 0 0 "[ . 1 . 2]" 1
1004 1 11 VAL H 1 62 LEU QD . . 4.860 2.697 1.808 3.629 . 0 0 "[ . 1 . 2]" 1
1005 1 11 VAL HA 1 32 ILE QG . . 5.180 4.648 4.087 5.175 . 0 0 "[ . 1 . 2]" 1
1006 1 11 VAL HA 1 62 LEU QD . . 4.360 3.461 2.922 4.000 . 0 0 "[ . 1 . 2]" 1
1007 1 11 VAL HB 1 62 LEU QB . . 5.040 4.649 3.694 5.042 0.002 7 0 "[ . 1 . 2]" 1
1008 1 11 VAL HB 1 62 LEU QD . . 3.410 2.091 1.771 2.598 . 0 0 "[ . 1 . 2]" 1
1009 1 11 VAL MG1 1 60 GLN QB . . 3.630 2.765 2.385 3.560 . 0 0 "[ . 1 . 2]" 1
1010 1 12 ALA H 1 32 ILE QG . . 4.880 4.256 3.648 4.882 0.002 13 0 "[ . 1 . 2]" 1
1011 1 13 LEU HA 1 28 PRO QB . . 4.790 4.072 3.781 4.470 . 0 0 "[ . 1 . 2]" 1
1012 1 13 LEU MD1 1 60 GLN QB . . 3.450 2.217 1.983 2.544 . 0 0 "[ . 1 . 2]" 1
1013 1 15 LYS H 1 28 PRO QB . . 5.310 3.574 3.336 3.799 . 0 0 "[ . 1 . 2]" 1
1014 1 15 LYS QE 1 15 LYS HG2 . . 3.680 2.367 2.134 3.251 . 0 0 "[ . 1 . 2]" 1
1015 1 16 PHE QE 1 18 PRO QG . . 4.890 4.337 4.106 4.764 . 0 0 "[ . 1 . 2]" 1
1016 1 16 PHE QE 1 23 ASP QB . . 3.450 1.999 1.967 2.224 . 0 0 "[ . 1 . 2]" 1
1017 1 16 PHE HZ 1 23 ASP QB . . 4.810 3.610 3.402 3.898 . 0 0 "[ . 1 . 2]" 1
1018 1 17 VAL HA 1 18 PRO QG . . 4.210 3.788 3.775 3.801 . 0 0 "[ . 1 . 2]" 1
1019 1 18 PRO HB2 1 23 ASP QB . . 3.840 2.155 1.971 2.579 . 0 0 "[ . 1 . 2]" 1
1020 1 18 PRO HB3 1 23 ASP QB . . 3.530 1.885 1.843 1.955 . 0 0 "[ . 1 . 2]" 1
1021 1 18 PRO QG 1 25 GLU H . . 4.140 2.798 2.526 3.070 . 0 0 "[ . 1 . 2]" 1
1022 1 18 PRO QG 1 25 GLU HA . . 3.830 2.842 2.629 3.213 . 0 0 "[ . 1 . 2]" 1
1023 1 18 PRO QG 1 25 GLU HB2 . . 3.280 1.980 1.948 2.148 . 0 0 "[ . 1 . 2]" 1
1024 1 19 GLN H 1 19 GLN QB . . 3.350 2.285 2.164 2.557 . 0 0 "[ . 1 . 2]" 1
1025 1 19 GLN H 1 19 GLN QG . . 3.980 3.225 2.012 3.974 . 0 0 "[ . 1 . 2]" 1
1026 1 19 GLN H 1 23 ASP QB . . 3.610 3.145 2.826 3.297 . 0 0 "[ . 1 . 2]" 1
1027 1 19 GLN HA 1 19 GLN QG . . 3.470 2.535 2.212 3.340 . 0 0 "[ . 1 . 2]" 1
1028 1 19 GLN QB 1 20 GLU H . . 3.740 2.805 2.501 3.488 . 0 0 "[ . 1 . 2]" 1
1029 1 20 GLU H 1 20 GLU QB . . 3.300 2.598 2.335 3.009 . 0 0 "[ . 1 . 2]" 1
1030 1 20 GLU H 1 20 GLU QG . . 3.860 3.172 1.897 3.850 . 0 0 "[ . 1 . 2]" 1
1031 1 20 GLU H 1 23 ASP QB . . 3.890 2.842 2.527 3.342 . 0 0 "[ . 1 . 2]" 1
1032 1 20 GLU QB 1 21 ASN H . . 4.240 2.529 1.907 3.454 . 0 0 "[ . 1 . 2]" 1
1033 1 20 GLU QB 1 21 ASN QB . . 4.650 3.877 3.675 4.654 0.004 19 0 "[ . 1 . 2]" 1
1034 1 20 GLU QB 1 22 GLU H . . 3.480 2.911 2.729 3.509 0.029 19 0 "[ . 1 . 2]" 1
1035 1 20 GLU QB 1 23 ASP H . . 4.380 3.455 3.164 4.255 . 0 0 "[ . 1 . 2]" 1
1036 1 21 ASN QB 1 22 GLU QG . . 4.540 3.684 3.355 4.220 . 0 0 "[ . 1 . 2]" 1
1037 1 22 GLU H 1 22 GLU QG . . 3.620 2.245 1.944 2.938 . 0 0 "[ . 1 . 2]" 1
1038 1 22 GLU QB 1 23 ASP H . . 4.290 2.593 2.363 3.316 . 0 0 "[ . 1 . 2]" 1
1039 1 22 GLU QB 1 53 PHE QD . . 3.670 2.638 2.265 2.889 . 0 0 "[ . 1 . 2]" 1
1040 1 22 GLU QB 1 53 PHE QE . . 4.360 2.772 2.390 3.510 . 0 0 "[ . 1 . 2]" 1
1041 1 22 GLU QG 1 53 PHE QD . . 5.180 4.489 3.774 4.966 . 0 0 "[ . 1 . 2]" 1
1042 1 23 ASP H 1 23 ASP QB . . 3.110 2.373 2.180 2.462 . 0 0 "[ . 1 . 2]" 1
1043 1 23 ASP QB 1 24 LEU H . . 3.670 2.452 2.388 2.721 . 0 0 "[ . 1 . 2]" 1
1044 1 24 LEU MD1 1 47 ILE QG . . 3.810 2.346 1.966 2.870 . 0 0 "[ . 1 . 2]" 1
1045 1 24 LEU MD1 1 50 ARG QB . . 3.200 1.839 1.758 1.966 . 0 0 "[ . 1 . 2]" 1
1046 1 24 LEU MD1 1 50 ARG QG . . 4.320 3.225 2.806 3.603 . 0 0 "[ . 1 . 2]" 1
1047 1 24 LEU MD2 1 47 ILE QG . . 3.600 2.149 1.935 2.608 . 0 0 "[ . 1 . 2]" 1
1048 1 25 GLU H 1 50 ARG QB . . 4.780 3.261 2.880 3.701 . 0 0 "[ . 1 . 2]" 1
1049 1 27 ARG H 1 27 ARG QB . . 3.240 2.614 2.371 3.196 . 0 0 "[ . 1 . 2]" 1
1050 1 27 ARG H 1 27 ARG QG . . 3.960 3.078 1.940 3.782 . 0 0 "[ . 1 . 2]" 1
1051 1 27 ARG QB 1 28 PRO HD2 . . 3.190 1.997 1.964 2.186 . 0 0 "[ . 1 . 2]" 1
1052 1 27 ARG QB 1 28 PRO HD3 . . 4.010 3.345 3.230 3.513 . 0 0 "[ . 1 . 2]" 1
1053 1 27 ARG QG 1 28 PRO HD2 . . 4.040 2.949 2.358 3.927 . 0 0 "[ . 1 . 2]" 1
1054 1 28 PRO QB 1 29 GLY H . . 3.910 3.790 3.630 3.873 . 0 0 "[ . 1 . 2]" 1
1055 1 32 ILE H 1 32 ILE QG . . 3.770 3.081 2.589 3.614 . 0 0 "[ . 1 . 2]" 1
1056 1 32 ILE HA 1 32 ILE QG . . 3.530 2.363 2.220 2.478 . 0 0 "[ . 1 . 2]" 1
1057 1 32 ILE HA 1 47 ILE QG . . 3.850 2.863 2.603 3.000 . 0 0 "[ . 1 . 2]" 1
1058 1 32 ILE MG 1 47 ILE QG . . 4.420 2.828 2.549 3.067 . 0 0 "[ . 1 . 2]" 1
1059 1 32 ILE QG 1 33 THR H . . 4.830 4.035 3.927 4.178 . 0 0 "[ . 1 . 2]" 1
1060 1 32 ILE QG 1 47 ILE QG . . 3.310 2.094 1.921 2.348 . 0 0 "[ . 1 . 2]" 1
1061 1 32 ILE MD 1 47 ILE QG . . 4.370 3.611 3.353 3.827 . 0 0 "[ . 1 . 2]" 1
1062 1 33 THR H 1 47 ILE QG . . 4.960 3.985 3.683 4.208 . 0 0 "[ . 1 . 2]" 1
1063 1 34 LEU QB 1 34 LEU MD1 . . 3.150 2.161 2.071 2.283 . 0 0 "[ . 1 . 2]" 1
1064 1 34 LEU QB 1 34 LEU MD2 . . 3.170 2.040 2.000 2.100 . 0 0 "[ . 1 . 2]" 1
1065 1 34 LEU MD1 1 37 ASP QB . . 4.910 3.301 2.295 3.696 . 0 0 "[ . 1 . 2]" 1
1066 1 34 LEU MD2 1 37 ASP QB . . 3.770 2.032 1.914 2.326 . 0 0 "[ . 1 . 2]" 1
1067 1 35 LEU H 1 35 LEU QB . . 3.600 2.522 2.335 2.692 . 0 0 "[ . 1 . 2]" 1
1068 1 35 LEU QB 1 36 GLU H . . 3.820 2.256 2.081 2.552 . 0 0 "[ . 1 . 2]" 1
1069 1 35 LEU QB 1 36 GLU HB2 . . 4.680 3.329 3.234 3.440 . 0 0 "[ . 1 . 2]" 1
1070 1 35 LEU QB 1 45 GLY HA2 . . 4.180 3.268 2.945 3.546 . 0 0 "[ . 1 . 2]" 1
1071 1 35 LEU QB 1 45 GLY HA3 . . 5.340 4.832 4.457 5.145 . 0 0 "[ . 1 . 2]" 1
1072 1 35 LEU MD1 1 44 LYS QG . . 4.550 2.905 1.915 3.767 . 0 0 "[ . 1 . 2]" 1
1073 1 35 LEU MD1 1 44 LYS QE . . 4.520 3.112 2.053 4.306 . 0 0 "[ . 1 . 2]" 1
1074 1 35 LEU MD1 1 46 LYS QE . . 5.340 3.441 2.155 4.704 . 0 0 "[ . 1 . 2]" 1
1075 1 35 LEU MD2 1 46 LYS QE . . 3.980 3.556 2.588 3.984 0.004 13 0 "[ . 1 . 2]" 1
1076 1 36 GLU H 1 44 LYS QB . . 3.920 2.462 2.077 2.801 . 0 0 "[ . 1 . 2]" 1
1077 1 36 GLU HA 1 36 GLU QG . . 3.560 2.413 2.186 2.823 . 0 0 "[ . 1 . 2]" 1
1078 1 36 GLU HB2 1 44 LYS QB . . 3.850 2.780 2.302 3.057 . 0 0 "[ . 1 . 2]" 1
1079 1 36 GLU HB3 1 44 LYS QB . . 3.970 2.315 1.981 3.832 . 0 0 "[ . 1 . 2]" 1
1080 1 36 GLU QG 1 37 ASP H . . 4.780 2.978 2.427 4.374 . 0 0 "[ . 1 . 2]" 1
1081 1 36 GLU QG 1 38 SER H . . 4.310 2.444 2.064 4.289 . 0 0 "[ . 1 . 2]" 1
1082 1 37 ASP QB 1 38 SER H . . 4.430 4.016 3.733 4.061 . 0 0 "[ . 1 . 2]" 1
1083 1 37 ASP QB 1 43 TRP HE1 . . 4.170 3.818 3.158 4.172 0.002 20 0 "[ . 1 . 2]" 1
1084 1 39 ASN H 1 39 ASN QD . . 4.680 3.937 2.329 4.656 . 0 0 "[ . 1 . 2]" 1
1085 1 39 ASN QB 1 40 GLU H . . 3.840 2.729 1.930 3.844 0.004 8 0 "[ . 1 . 2]" 1
1086 1 39 ASN QB 1 41 ASP H . . 4.740 3.381 2.800 4.506 . 0 0 "[ . 1 . 2]" 1
1087 1 39 ASN QB 1 42 TRP H . . 4.390 2.893 2.375 3.534 . 0 0 "[ . 1 . 2]" 1
1088 1 39 ASN QB 1 43 TRP HD1 . . 5.340 3.009 2.086 4.040 . 0 0 "[ . 1 . 2]" 1
1089 1 39 ASN QD 1 42 TRP H . . 4.980 3.919 1.780 4.725 . 0 0 "[ . 1 . 2]" 1
1090 1 40 GLU H 1 40 GLU QB . . 3.340 2.551 2.351 3.084 . 0 0 "[ . 1 . 2]" 1
1091 1 40 GLU H 1 40 GLU QG . . 4.000 3.039 1.999 3.980 . 0 0 "[ . 1 . 2]" 1
1092 1 40 GLU HA 1 40 GLU QG . . 3.740 2.696 2.316 3.509 . 0 0 "[ . 1 . 2]" 1
1093 1 40 GLU QB 1 41 ASP H . . 3.740 2.701 2.164 3.378 . 0 0 "[ . 1 . 2]" 1
1094 1 40 GLU QB 1 42 TRP H . . 5.340 5.125 4.527 5.346 0.006 19 0 "[ . 1 . 2]" 1
1095 1 40 GLU QG 1 41 ASP H . . 4.430 3.551 1.901 4.424 . 0 0 "[ . 1 . 2]" 1
1096 1 41 ASP H 1 41 ASP QB . . 3.390 2.466 2.187 2.663 . 0 0 "[ . 1 . 2]" 1
1097 1 41 ASP QB 1 42 TRP H . . 3.810 2.165 1.904 3.102 . 0 0 "[ . 1 . 2]" 1
1098 1 41 ASP QB 1 42 TRP HD1 . . 3.580 1.958 1.865 2.136 . 0 0 "[ . 1 . 2]" 1
1099 1 41 ASP QB 1 42 TRP HE1 . . 4.260 3.528 3.262 3.998 . 0 0 "[ . 1 . 2]" 1
1100 1 42 TRP H 1 42 TRP QB . . 3.610 2.487 2.419 2.611 . 0 0 "[ . 1 . 2]" 1
1101 1 42 TRP QB 1 42 TRP HE1 . . 4.620 4.524 4.465 4.556 . 0 0 "[ . 1 . 2]" 1
1102 1 42 TRP QB 1 43 TRP H . . 3.960 2.947 2.637 3.359 . 0 0 "[ . 1 . 2]" 1
1103 1 44 LYS QB 1 44 LYS QD . . 3.250 2.106 2.047 2.154 . 0 0 "[ . 1 . 2]" 1
1104 1 44 LYS QB 1 53 PHE HA . . 4.860 3.690 3.221 3.918 . 0 0 "[ . 1 . 2]" 1
1105 1 44 LYS QB 1 53 PHE QD . . 4.880 2.425 1.991 3.107 . 0 0 "[ . 1 . 2]" 1
1106 1 44 LYS QB 1 53 PHE QE . . 4.370 3.155 2.346 3.672 . 0 0 "[ . 1 . 2]" 1
1107 1 44 LYS QE 1 44 LYS QG . . 3.290 2.179 2.083 2.306 . 0 0 "[ . 1 . 2]" 1
1108 1 44 LYS QG 1 45 GLY H . . 3.510 2.273 1.969 2.710 . 0 0 "[ . 1 . 2]" 1
1109 1 44 LYS QG 1 51 ILE MG . . 4.250 3.787 3.589 3.936 . 0 0 "[ . 1 . 2]" 1
1110 1 44 LYS QG 1 52 GLY H . . 4.270 3.770 3.480 4.011 . 0 0 "[ . 1 . 2]" 1
1111 1 44 LYS QG 1 53 PHE HA . . 4.470 3.194 2.503 3.963 . 0 0 "[ . 1 . 2]" 1
1112 1 44 LYS QE 1 51 ILE MG . . 3.430 2.948 2.541 3.302 . 0 0 "[ . 1 . 2]" 1
1113 1 44 LYS QE 1 53 PHE QE . . 4.470 3.574 3.020 4.043 . 0 0 "[ . 1 . 2]" 1
1114 1 44 LYS QE 1 53 PHE HZ . . 4.610 4.246 3.813 4.568 . 0 0 "[ . 1 . 2]" 1
1115 1 46 LYS HA 1 51 ILE QG . . 3.800 2.735 2.297 3.212 . 0 0 "[ . 1 . 2]" 1
1116 1 46 LYS QG 1 51 ILE QG . . 3.610 2.244 1.858 2.796 . 0 0 "[ . 1 . 2]" 1
1117 1 46 LYS QE 1 51 ILE MD . . 4.370 3.516 2.137 4.373 0.003 1 0 "[ . 1 . 2]" 1
1118 1 47 ILE H 1 47 ILE QG . . 4.250 2.611 2.327 3.050 . 0 0 "[ . 1 . 2]" 1
1119 1 47 ILE H 1 50 ARG QB . . 4.550 4.040 3.859 4.381 . 0 0 "[ . 1 . 2]" 1
1120 1 47 ILE H 1 51 ILE QG . . 5.070 2.600 2.134 3.077 . 0 0 "[ . 1 . 2]" 1
1121 1 47 ILE HA 1 47 ILE QG . . 3.450 2.407 2.274 2.572 . 0 0 "[ . 1 . 2]" 1
1122 1 47 ILE HB 1 50 ARG QB . . 4.480 1.963 1.943 1.983 . 0 0 "[ . 1 . 2]" 1
1123 1 50 ARG H 1 50 ARG QB . . 3.180 2.494 2.362 2.880 . 0 0 "[ . 1 . 2]" 1
1124 1 50 ARG H 1 50 ARG QG . . 3.960 3.468 2.500 3.942 . 0 0 "[ . 1 . 2]" 1
1125 1 50 ARG HA 1 50 ARG QG . . 3.330 2.352 2.155 3.004 . 0 0 "[ . 1 . 2]" 1
1126 1 50 ARG QB 1 50 ARG QD . . 3.480 2.203 2.037 2.682 . 0 0 "[ . 1 . 2]" 1
1127 1 50 ARG QB 1 51 ILE H . . 3.630 2.942 2.584 3.447 . 0 0 "[ . 1 . 2]" 1
1128 1 50 ARG QB 1 51 ILE HA . . 4.500 3.966 3.886 4.131 . 0 0 "[ . 1 . 2]" 1
1129 1 51 ILE H 1 51 ILE QG . . 3.950 3.083 2.733 3.784 . 0 0 "[ . 1 . 2]" 1
1130 1 60 GLN H 1 60 GLN QB . . 3.350 2.629 2.417 3.063 . 0 0 "[ . 1 . 2]" 1
1131 1 60 GLN HA 1 61 ARG QB . . 4.480 4.080 4.039 4.114 . 0 0 "[ . 1 . 2]" 1
1132 1 60 GLN QB 1 61 ARG H . . 4.250 3.703 2.827 3.935 . 0 0 "[ . 1 . 2]" 1
1133 1 61 ARG HA 1 61 ARG QG . . 3.470 2.399 2.283 2.518 . 0 0 "[ . 1 . 2]" 1
1134 1 61 ARG QB 1 62 LEU H . . 3.960 3.676 3.557 3.782 . 0 0 "[ . 1 . 2]" 1
1135 1 62 LEU H 1 62 LEU QB . . 3.370 2.281 2.206 2.403 . 0 0 "[ . 1 . 2]" 1
1136 1 62 LEU H 1 62 LEU QD . . 4.210 3.415 2.145 3.780 . 0 0 "[ . 1 . 2]" 1
1137 1 62 LEU HA 1 62 LEU QD . . 3.020 2.212 1.914 2.663 . 0 0 "[ . 1 . 2]" 1
1138 1 62 LEU QB 1 63 SER H . . 4.450 3.423 2.434 3.832 . 0 0 "[ . 1 . 2]" 1
1139 1 62 LEU QD 1 63 SER H . . 4.850 3.371 2.580 4.386 . 0 0 "[ . 1 . 2]" 1
1140 1 64 GLY QA 1 65 PRO QG . . 4.880 3.680 3.654 3.700 . 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 1
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 5.459
_Distance_constraint_stats_list.Viol_max 0.062
_Distance_constraint_stats_list.Viol_rms 0.0189
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0136
_Distance_constraint_stats_list.Viol_average_violations_only 0.0248
_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 21 ASN 0.273 0.062 20 0 "[ . 1 . 2]"
1 22 GLU 0.273 0.062 20 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 21 ASN H 1 22 GLU H . . 3.000 3.012 2.992 3.062 0.062 20 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 9:12:45 AM GMT (wattos1)