Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
462917 | 2eqi RC | 11224 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eqi
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 1176
_Distance_constraint_stats_list.Viol_count 328
_Distance_constraint_stats_list.Viol_total 66.315
_Distance_constraint_stats_list.Viol_max 0.103
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0101
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.003 0.003 18 0 "[ . 1 . 2]"
1 8 ARG 0.185 0.020 7 0 "[ . 1 . 2]"
1 9 THR 0.108 0.020 20 0 "[ . 1 . 2]"
1 10 VAL 0.019 0.005 5 0 "[ . 1 . 2]"
1 11 LYS 0.032 0.005 16 0 "[ . 1 . 2]"
1 12 ALA 0.003 0.002 16 0 "[ . 1 . 2]"
1 13 LEU 0.040 0.011 7 0 "[ . 1 . 2]"
1 14 TYR 0.049 0.022 7 0 "[ . 1 . 2]"
1 15 ASP 0.022 0.014 11 0 "[ . 1 . 2]"
1 16 TYR 0.036 0.017 11 0 "[ . 1 . 2]"
1 17 LYS 0.009 0.006 6 0 "[ . 1 . 2]"
1 18 ALA 0.041 0.008 15 0 "[ . 1 . 2]"
1 19 LYS 0.004 0.003 13 0 "[ . 1 . 2]"
1 20 ARG 0.059 0.041 6 0 "[ . 1 . 2]"
1 21 SER 0.041 0.041 6 0 "[ . 1 . 2]"
1 22 ASP 0.046 0.023 6 0 "[ . 1 . 2]"
1 23 GLU 0.060 0.023 6 0 "[ . 1 . 2]"
1 24 LEU 0.328 0.068 9 0 "[ . 1 . 2]"
1 25 THR 0.060 0.028 6 0 "[ . 1 . 2]"
1 26 PHE 0.095 0.028 6 0 "[ . 1 . 2]"
1 27 CYS 0.213 0.042 18 0 "[ . 1 . 2]"
1 28 ARG 0.344 0.042 18 0 "[ . 1 . 2]"
1 29 GLY 0.009 0.006 13 0 "[ . 1 . 2]"
1 30 ALA 1.230 0.103 20 0 "[ . 1 . 2]"
1 31 LEU 1.774 0.103 20 0 "[ . 1 . 2]"
1 32 ILE 0.239 0.029 18 0 "[ . 1 . 2]"
1 33 HIS 0.026 0.011 18 0 "[ . 1 . 2]"
1 34 ASN 0.007 0.003 16 0 "[ . 1 . 2]"
1 35 VAL 0.052 0.014 7 0 "[ . 1 . 2]"
1 36 SER 0.079 0.037 15 0 "[ . 1 . 2]"
1 37 LYS 0.062 0.015 11 0 "[ . 1 . 2]"
1 38 GLU 0.002 0.001 14 0 "[ . 1 . 2]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.017 0.007 12 0 "[ . 1 . 2]"
1 42 TRP 0.002 0.002 20 0 "[ . 1 . 2]"
1 43 TRP 0.063 0.015 11 0 "[ . 1 . 2]"
1 44 LYS 0.088 0.037 15 0 "[ . 1 . 2]"
1 45 GLY 0.032 0.010 11 0 "[ . 1 . 2]"
1 46 ASP 0.010 0.006 18 0 "[ . 1 . 2]"
1 47 TYR 0.041 0.014 17 0 "[ . 1 . 2]"
1 48 GLY 0.005 0.005 7 0 "[ . 1 . 2]"
1 49 THR 0.000 0.000 12 0 "[ . 1 . 2]"
1 50 ARG 0.052 0.017 10 0 "[ . 1 . 2]"
1 51 ILE 0.031 0.008 10 0 "[ . 1 . 2]"
1 52 GLN 0.033 0.008 10 0 "[ . 1 . 2]"
1 53 GLN 0.048 0.019 12 0 "[ . 1 . 2]"
1 54 TYR 0.003 0.002 20 0 "[ . 1 . 2]"
1 55 PHE 0.017 0.009 20 0 "[ . 1 . 2]"
1 56 PRO 0.005 0.004 11 0 "[ . 1 . 2]"
1 57 SER 0.021 0.007 12 0 "[ . 1 . 2]"
1 58 ASN 0.002 0.002 16 0 "[ . 1 . 2]"
1 59 TYR 0.014 0.004 11 0 "[ . 1 . 2]"
1 60 VAL 0.025 0.007 11 0 "[ . 1 . 2]"
1 61 GLU 0.023 0.007 11 0 "[ . 1 . 2]"
1 62 ASP 0.016 0.007 11 0 "[ . 1 . 2]"
1 63 ILE 0.023 0.005 5 0 "[ . 1 . 2]"
1 64 SER 0.007 0.007 5 0 "[ . 1 . 2]"
1 65 GLY 0.007 0.007 5 0 "[ . 1 . 2]"
1 66 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 6 SER H 1 6 SER QB . . 3.860 2.471 2.162 2.846 . 0 0 "[ . 1 . 2]" 1
2 1 6 SER HA 1 6 SER QB . . 2.640 2.407 2.191 2.479 . 0 0 "[ . 1 . 2]" 1
3 1 6 SER HA 1 7 GLY QA . . 4.730 4.082 3.890 4.545 . 0 0 "[ . 1 . 2]" 1
4 1 6 SER QB 1 7 GLY H . . 3.990 2.599 2.085 3.512 . 0 0 "[ . 1 . 2]" 1
5 1 6 SER QB 1 8 ARG H . . 4.220 2.790 2.410 3.051 . 0 0 "[ . 1 . 2]" 1
6 1 6 SER QB 1 8 ARG HB2 . . 4.150 3.413 2.819 3.893 . 0 0 "[ . 1 . 2]" 1
7 1 6 SER QB 1 8 ARG HB3 . . 4.310 3.921 3.548 4.307 . 0 0 "[ . 1 . 2]" 1
8 1 6 SER QB 1 8 ARG QG . . 5.340 4.982 4.111 5.316 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY H 1 34 ASN HA . . 4.960 4.372 3.169 4.963 0.003 18 0 "[ . 1 . 2]" 1
10 1 7 GLY QA 1 8 ARG H . . 3.190 2.738 2.614 2.883 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLY QA 1 8 ARG HA . . 5.040 4.126 4.042 4.198 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLY QA 1 34 ASN HA . . 3.950 3.372 2.523 3.951 0.001 13 0 "[ . 1 . 2]" 1
13 1 8 ARG H 1 8 ARG HB2 . . 3.660 2.548 2.276 2.817 . 0 0 "[ . 1 . 2]" 1
14 1 8 ARG H 1 8 ARG HB3 . . 3.330 2.568 2.384 2.849 . 0 0 "[ . 1 . 2]" 1
15 1 8 ARG H 1 8 ARG HG2 . . 4.640 4.583 4.234 4.656 0.016 5 0 "[ . 1 . 2]" 1
16 1 8 ARG H 1 8 ARG HG3 . . 4.640 4.438 4.339 4.513 . 0 0 "[ . 1 . 2]" 1
17 1 8 ARG H 1 34 ASN H . . 4.390 3.602 3.031 3.910 . 0 0 "[ . 1 . 2]" 1
18 1 8 ARG H 1 34 ASN HA . . 3.740 3.248 2.827 3.732 . 0 0 "[ . 1 . 2]" 1
19 1 8 ARG H 1 35 VAL H . . 4.020 3.224 2.862 3.625 . 0 0 "[ . 1 . 2]" 1
20 1 8 ARG H 1 35 VAL HB . . 5.500 4.431 4.222 4.769 . 0 0 "[ . 1 . 2]" 1
21 1 8 ARG HA 1 8 ARG HD2 . . 4.200 3.366 2.267 3.864 . 0 0 "[ . 1 . 2]" 1
22 1 8 ARG HA 1 8 ARG QD . . 3.680 2.547 1.978 3.314 . 0 0 "[ . 1 . 2]" 1
23 1 8 ARG HA 1 8 ARG HD3 . . 4.200 2.952 1.989 4.084 . 0 0 "[ . 1 . 2]" 1
24 1 8 ARG HA 1 8 ARG HG2 . . 3.820 3.631 2.210 3.840 0.020 7 0 "[ . 1 . 2]" 1
25 1 8 ARG HA 1 8 ARG QG . . 3.300 2.709 2.188 2.991 . 0 0 "[ . 1 . 2]" 1
26 1 8 ARG HA 1 8 ARG HG3 . . 3.820 2.912 2.665 3.556 . 0 0 "[ . 1 . 2]" 1
27 1 8 ARG HA 1 9 THR H . . 2.830 2.255 2.209 2.288 . 0 0 "[ . 1 . 2]" 1
28 1 8 ARG HA 1 9 THR HB . . 4.460 4.462 4.440 4.480 0.020 20 0 "[ . 1 . 2]" 1
29 1 8 ARG HA 1 9 THR MG . . 5.500 5.430 5.428 5.433 . 0 0 "[ . 1 . 2]" 1
30 1 8 ARG HA 1 35 VAL HB . . 4.930 4.596 4.385 4.862 . 0 0 "[ . 1 . 2]" 1
31 1 8 ARG HB2 1 8 ARG HD2 . . 3.980 3.127 2.133 3.711 . 0 0 "[ . 1 . 2]" 1
32 1 8 ARG HB2 1 8 ARG HD3 . . 3.980 2.954 2.197 3.958 . 0 0 "[ . 1 . 2]" 1
33 1 8 ARG HB2 1 9 THR H . . 4.280 4.040 3.924 4.234 . 0 0 "[ . 1 . 2]" 1
34 1 8 ARG HB2 1 34 ASN HA . . 5.500 5.244 4.816 5.483 . 0 0 "[ . 1 . 2]" 1
35 1 8 ARG HB2 1 35 VAL H . . 4.070 3.968 3.588 4.074 0.004 11 0 "[ . 1 . 2]" 1
36 1 8 ARG HB2 1 35 VAL MG2 . . 4.970 4.736 4.300 4.974 0.004 20 0 "[ . 1 . 2]" 1
37 1 8 ARG HB3 1 9 THR H . . 4.060 3.835 3.576 3.983 . 0 0 "[ . 1 . 2]" 1
38 1 8 ARG HB3 1 10 VAL MG1 . . 4.490 4.381 4.049 4.490 . 0 0 "[ . 1 . 2]" 1
39 1 8 ARG HB3 1 34 ASN H . . 4.740 4.419 3.953 4.661 . 0 0 "[ . 1 . 2]" 1
40 1 8 ARG HB3 1 34 ASN HA . . 4.400 4.269 4.010 4.403 0.003 16 0 "[ . 1 . 2]" 1
41 1 8 ARG HB3 1 35 VAL H . . 3.330 2.367 2.031 2.565 . 0 0 "[ . 1 . 2]" 1
42 1 8 ARG QD 1 9 THR H . . 3.900 2.798 1.888 3.782 . 0 0 "[ . 1 . 2]" 1
43 1 8 ARG QD 1 10 VAL MG1 . . 4.420 3.506 2.128 4.417 . 0 0 "[ . 1 . 2]" 1
44 1 8 ARG QD 1 35 VAL HB . . 5.040 3.905 1.990 4.312 . 0 0 "[ . 1 . 2]" 1
45 1 8 ARG QD 1 35 VAL MG1 . . 4.450 4.194 2.864 4.452 0.002 13 0 "[ . 1 . 2]" 1
46 1 8 ARG HD2 1 9 THR H . . 4.490 3.415 2.250 4.474 . 0 0 "[ . 1 . 2]" 1
47 1 8 ARG HD3 1 9 THR H . . 4.490 3.211 1.906 4.491 0.001 15 0 "[ . 1 . 2]" 1
48 1 8 ARG QG 1 9 THR H . . 3.620 2.231 1.907 2.935 . 0 0 "[ . 1 . 2]" 1
49 1 8 ARG QG 1 35 VAL HB . . 3.830 2.298 1.929 3.598 . 0 0 "[ . 1 . 2]" 1
50 1 8 ARG QG 1 35 VAL MG1 . . 4.550 2.842 2.402 3.760 . 0 0 "[ . 1 . 2]" 1
51 1 8 ARG QG 1 64 SER QB . . 4.550 4.080 3.358 4.541 . 0 0 "[ . 1 . 2]" 1
52 1 8 ARG HG2 1 9 THR H . . 4.240 3.754 2.870 4.101 . 0 0 "[ . 1 . 2]" 1
53 1 8 ARG HG2 1 10 VAL MG1 . . 4.430 3.431 3.137 4.354 . 0 0 "[ . 1 . 2]" 1
54 1 8 ARG HG3 1 9 THR H . . 4.240 2.374 1.913 4.227 . 0 0 "[ . 1 . 2]" 1
55 1 8 ARG HG3 1 10 VAL MG1 . . 4.430 2.968 2.499 4.312 . 0 0 "[ . 1 . 2]" 1
56 1 9 THR H 1 9 THR HB . . 3.160 2.740 2.701 2.764 . 0 0 "[ . 1 . 2]" 1
57 1 9 THR H 1 9 THR MG . . 4.010 3.871 3.844 3.885 . 0 0 "[ . 1 . 2]" 1
58 1 9 THR H 1 35 VAL HB . . 5.500 4.473 4.067 4.945 . 0 0 "[ . 1 . 2]" 1
59 1 9 THR H 1 35 VAL MG2 . . 4.700 4.121 3.815 4.482 . 0 0 "[ . 1 . 2]" 1
60 1 9 THR H 1 64 SER QB . . 4.400 2.498 1.925 2.941 . 0 0 "[ . 1 . 2]" 1
61 1 9 THR HA 1 9 THR MG . . 3.210 2.420 2.356 2.490 . 0 0 "[ . 1 . 2]" 1
62 1 9 THR HA 1 10 VAL H . . 3.010 2.206 2.147 2.269 . 0 0 "[ . 1 . 2]" 1
63 1 9 THR HA 1 10 VAL MG1 . . 4.150 3.601 3.451 3.819 . 0 0 "[ . 1 . 2]" 1
64 1 9 THR HA 1 10 VAL MG2 . . 4.000 3.726 3.540 3.910 . 0 0 "[ . 1 . 2]" 1
65 1 9 THR HA 1 32 ILE HB . . 5.230 4.750 4.564 4.965 . 0 0 "[ . 1 . 2]" 1
66 1 9 THR HA 1 33 HIS HA . . 3.320 2.486 2.327 2.623 . 0 0 "[ . 1 . 2]" 1
67 1 9 THR HA 1 34 ASN H . . 4.500 4.247 4.017 4.499 . 0 0 "[ . 1 . 2]" 1
68 1 9 THR HA 1 35 VAL MG2 . . 3.730 2.821 2.400 3.190 . 0 0 "[ . 1 . 2]" 1
69 1 9 THR HA 1 63 ILE MD . . 5.500 4.758 4.579 4.900 . 0 0 "[ . 1 . 2]" 1
70 1 9 THR HB 1 10 VAL H . . 4.510 4.062 3.913 4.264 . 0 0 "[ . 1 . 2]" 1
71 1 9 THR HB 1 63 ILE HB . . 5.500 5.417 5.077 5.503 0.003 9 0 "[ . 1 . 2]" 1
72 1 9 THR HB 1 63 ILE MD . . 3.770 3.465 3.019 3.707 . 0 0 "[ . 1 . 2]" 1
73 1 9 THR HB 1 63 ILE HG12 . . 4.420 3.602 3.326 3.971 . 0 0 "[ . 1 . 2]" 1
74 1 9 THR HB 1 63 ILE QG . . 3.850 2.796 2.485 2.949 . 0 0 "[ . 1 . 2]" 1
75 1 9 THR HB 1 63 ILE HG13 . . 4.420 2.917 2.554 3.041 . 0 0 "[ . 1 . 2]" 1
76 1 9 THR MG 1 10 VAL H . . 3.170 2.233 1.986 2.732 . 0 0 "[ . 1 . 2]" 1
77 1 9 THR MG 1 10 VAL MG2 . . 4.180 3.866 3.634 4.106 . 0 0 "[ . 1 . 2]" 1
78 1 9 THR MG 1 11 LYS H . . 4.940 4.298 4.129 4.465 . 0 0 "[ . 1 . 2]" 1
79 1 9 THR MG 1 31 LEU HA . . 4.250 3.828 3.408 4.004 . 0 0 "[ . 1 . 2]" 1
80 1 9 THR MG 1 31 LEU HB2 . . 3.890 3.516 3.198 3.814 . 0 0 "[ . 1 . 2]" 1
81 1 9 THR MG 1 31 LEU HB3 . . 3.740 2.561 2.343 2.747 . 0 0 "[ . 1 . 2]" 1
82 1 9 THR MG 1 32 ILE H . . 3.720 3.107 2.807 3.312 . 0 0 "[ . 1 . 2]" 1
83 1 9 THR MG 1 32 ILE HA . . 4.920 4.638 4.377 4.911 . 0 0 "[ . 1 . 2]" 1
84 1 9 THR MG 1 33 HIS H . . 4.910 4.523 4.222 4.884 . 0 0 "[ . 1 . 2]" 1
85 1 9 THR MG 1 33 HIS HA . . 3.900 3.505 3.282 3.820 . 0 0 "[ . 1 . 2]" 1
86 1 9 THR MG 1 33 HIS HD2 . . 5.500 5.425 5.166 5.505 0.005 20 0 "[ . 1 . 2]" 1
87 1 9 THR MG 1 33 HIS HE1 . . 3.410 2.551 2.144 2.895 . 0 0 "[ . 1 . 2]" 1
88 1 9 THR MG 1 63 ILE HA . . 5.500 5.433 5.311 5.500 0.000 12 0 "[ . 1 . 2]" 1
89 1 9 THR MG 1 63 ILE HB . . 4.690 4.306 4.115 4.443 . 0 0 "[ . 1 . 2]" 1
90 1 9 THR MG 1 63 ILE MD . . 2.990 1.841 1.753 1.947 . 0 0 "[ . 1 . 2]" 1
91 1 9 THR MG 1 63 ILE QG . . 3.510 2.092 1.996 2.226 . 0 0 "[ . 1 . 2]" 1
92 1 10 VAL H 1 10 VAL MG1 . . 3.400 2.999 2.770 3.148 . 0 0 "[ . 1 . 2]" 1
93 1 10 VAL H 1 10 VAL MG2 . . 3.200 2.213 2.069 2.419 . 0 0 "[ . 1 . 2]" 1
94 1 10 VAL H 1 32 ILE H . . 3.770 2.541 2.325 2.687 . 0 0 "[ . 1 . 2]" 1
95 1 10 VAL H 1 32 ILE HB . . 3.720 3.522 3.348 3.708 . 0 0 "[ . 1 . 2]" 1
96 1 10 VAL H 1 32 ILE MD . . 4.650 3.953 3.717 4.139 . 0 0 "[ . 1 . 2]" 1
97 1 10 VAL H 1 32 ILE MG . . 4.830 4.511 4.362 4.691 . 0 0 "[ . 1 . 2]" 1
98 1 10 VAL H 1 33 HIS HA . . 4.060 3.992 3.871 4.061 0.001 20 0 "[ . 1 . 2]" 1
99 1 10 VAL H 1 35 VAL MG2 . . 3.550 3.013 2.537 3.476 . 0 0 "[ . 1 . 2]" 1
100 1 10 VAL H 1 63 ILE H . . 5.260 4.803 4.664 4.946 . 0 0 "[ . 1 . 2]" 1
101 1 10 VAL H 1 63 ILE MD . . 4.660 4.076 3.742 4.547 . 0 0 "[ . 1 . 2]" 1
102 1 10 VAL HA 1 10 VAL MG1 . . 3.050 2.328 2.245 2.427 . 0 0 "[ . 1 . 2]" 1
103 1 10 VAL HA 1 10 VAL MG2 . . 3.750 3.194 3.184 3.201 . 0 0 "[ . 1 . 2]" 1
104 1 10 VAL HA 1 11 LYS H . . 3.110 2.214 2.184 2.258 . 0 0 "[ . 1 . 2]" 1
105 1 10 VAL HA 1 11 LYS HB3 . . 5.090 4.423 4.316 4.469 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL HA 1 31 LEU QD . . 5.140 4.871 4.641 5.140 . 0 0 "[ . 1 . 2]" 1
107 1 10 VAL HA 1 60 VAL HB . . 4.450 4.421 4.344 4.452 0.002 13 0 "[ . 1 . 2]" 1
108 1 10 VAL HA 1 60 VAL MG2 . . 4.700 4.487 4.221 4.672 . 0 0 "[ . 1 . 2]" 1
109 1 10 VAL HA 1 61 GLU H . . 4.490 4.246 4.015 4.404 . 0 0 "[ . 1 . 2]" 1
110 1 10 VAL HA 1 62 ASP HA . . 3.440 2.478 2.226 2.825 . 0 0 "[ . 1 . 2]" 1
111 1 10 VAL HA 1 63 ILE H . . 3.480 2.645 2.372 2.822 . 0 0 "[ . 1 . 2]" 1
112 1 10 VAL HA 1 63 ILE HB . . 5.500 5.339 5.034 5.501 0.001 7 0 "[ . 1 . 2]" 1
113 1 10 VAL HA 1 63 ILE MD . . 4.100 3.824 3.334 4.105 0.005 5 0 "[ . 1 . 2]" 1
114 1 10 VAL HA 1 63 ILE HG12 . . 4.410 2.600 2.221 2.815 . 0 0 "[ . 1 . 2]" 1
115 1 10 VAL HA 1 63 ILE QG . . 3.830 2.574 2.206 2.783 . 0 0 "[ . 1 . 2]" 1
116 1 10 VAL HA 1 63 ILE HG13 . . 4.410 4.151 3.770 4.403 . 0 0 "[ . 1 . 2]" 1
117 1 10 VAL HA 1 63 ILE MG . . 3.530 3.279 3.014 3.528 . 0 0 "[ . 1 . 2]" 1
118 1 10 VAL HB 1 11 LYS H . . 3.250 2.927 2.769 3.053 . 0 0 "[ . 1 . 2]" 1
119 1 10 VAL HB 1 32 ILE MD . . 4.840 4.185 3.869 4.421 . 0 0 "[ . 1 . 2]" 1
120 1 10 VAL HB 1 60 VAL HA . . 4.870 4.475 4.266 4.662 . 0 0 "[ . 1 . 2]" 1
121 1 10 VAL HB 1 60 VAL HB . . 3.710 2.446 2.298 2.596 . 0 0 "[ . 1 . 2]" 1
122 1 10 VAL HB 1 60 VAL MG1 . . 4.040 3.889 3.784 3.985 . 0 0 "[ . 1 . 2]" 1
123 1 10 VAL HB 1 60 VAL MG2 . . 3.380 2.341 2.015 2.561 . 0 0 "[ . 1 . 2]" 1
124 1 10 VAL HB 1 61 GLU H . . 3.610 3.170 2.918 3.399 . 0 0 "[ . 1 . 2]" 1
125 1 10 VAL HB 1 62 ASP HA . . 3.930 3.521 3.344 3.652 . 0 0 "[ . 1 . 2]" 1
126 1 10 VAL MG1 1 11 LYS H . . 4.160 3.899 3.816 3.986 . 0 0 "[ . 1 . 2]" 1
127 1 10 VAL MG1 1 35 VAL HB . . 4.160 3.228 2.872 3.777 . 0 0 "[ . 1 . 2]" 1
128 1 10 VAL MG1 1 35 VAL MG2 . . 2.840 2.195 1.842 2.791 . 0 0 "[ . 1 . 2]" 1
129 1 10 VAL MG1 1 43 TRP HE3 . . 3.650 3.186 2.580 3.652 0.002 10 0 "[ . 1 . 2]" 1
130 1 10 VAL MG1 1 43 TRP HH2 . . 5.170 4.449 3.918 4.928 . 0 0 "[ . 1 . 2]" 1
131 1 10 VAL MG1 1 43 TRP HZ3 . . 3.290 2.526 1.985 3.032 . 0 0 "[ . 1 . 2]" 1
132 1 10 VAL MG1 1 62 ASP HA . . 2.940 2.108 1.939 2.336 . 0 0 "[ . 1 . 2]" 1
133 1 10 VAL MG1 1 62 ASP HB2 . . 4.200 3.751 3.129 4.198 . 0 0 "[ . 1 . 2]" 1
134 1 10 VAL MG1 1 62 ASP QB . . 3.680 2.971 2.680 3.444 . 0 0 "[ . 1 . 2]" 1
135 1 10 VAL MG1 1 62 ASP HB3 . . 4.200 3.175 2.760 4.201 0.001 17 0 "[ . 1 . 2]" 1
136 1 10 VAL MG1 1 63 ILE H . . 3.620 3.471 3.081 3.622 0.002 17 0 "[ . 1 . 2]" 1
137 1 10 VAL MG2 1 11 LYS H . . 3.830 3.741 3.620 3.831 0.001 5 0 "[ . 1 . 2]" 1
138 1 10 VAL MG2 1 12 ALA HA . . 5.030 4.809 4.553 4.971 . 0 0 "[ . 1 . 2]" 1
139 1 10 VAL MG2 1 12 ALA MB . . 5.220 4.832 4.638 5.016 . 0 0 "[ . 1 . 2]" 1
140 1 10 VAL MG2 1 32 ILE H . . 3.660 2.717 2.474 3.022 . 0 0 "[ . 1 . 2]" 1
141 1 10 VAL MG2 1 32 ILE HB . . 3.020 2.095 1.945 2.266 . 0 0 "[ . 1 . 2]" 1
142 1 10 VAL MG2 1 32 ILE MD . . 3.160 2.168 1.907 2.415 . 0 0 "[ . 1 . 2]" 1
143 1 10 VAL MG2 1 32 ILE MG . . 3.410 3.284 3.162 3.396 . 0 0 "[ . 1 . 2]" 1
144 1 10 VAL MG2 1 35 VAL HA . . 5.190 4.844 4.596 5.100 . 0 0 "[ . 1 . 2]" 1
145 1 10 VAL MG2 1 35 VAL MG1 . . 3.450 2.995 2.551 3.313 . 0 0 "[ . 1 . 2]" 1
146 1 10 VAL MG2 1 35 VAL MG2 . . 2.910 2.030 1.877 2.315 . 0 0 "[ . 1 . 2]" 1
147 1 10 VAL MG2 1 43 TRP HE3 . . 5.300 3.475 2.866 3.931 . 0 0 "[ . 1 . 2]" 1
148 1 10 VAL MG2 1 55 PHE QE . . 3.730 2.478 1.977 2.840 . 0 0 "[ . 1 . 2]" 1
149 1 10 VAL MG2 1 55 PHE HZ . . 3.820 2.790 2.237 3.270 . 0 0 "[ . 1 . 2]" 1
150 1 10 VAL MG2 1 60 VAL HB . . 3.550 2.396 2.009 2.579 . 0 0 "[ . 1 . 2]" 1
151 1 10 VAL MG2 1 60 VAL MG1 . . 2.990 2.673 2.268 2.825 . 0 0 "[ . 1 . 2]" 1
152 1 10 VAL MG2 1 60 VAL MG2 . . 3.030 2.140 1.825 2.546 . 0 0 "[ . 1 . 2]" 1
153 1 10 VAL MG2 1 61 GLU H . . 4.380 4.182 3.878 4.383 0.003 11 0 "[ . 1 . 2]" 1
154 1 10 VAL MG2 1 62 ASP HA . . 5.500 4.556 4.416 4.710 . 0 0 "[ . 1 . 2]" 1
155 1 11 LYS H 1 11 LYS HB2 . . 3.630 3.053 2.971 3.124 . 0 0 "[ . 1 . 2]" 1
156 1 11 LYS H 1 11 LYS HB3 . . 3.470 2.401 2.271 2.504 . 0 0 "[ . 1 . 2]" 1
157 1 11 LYS H 1 11 LYS QD . . 4.810 4.421 4.325 4.660 . 0 0 "[ . 1 . 2]" 1
158 1 11 LYS H 1 11 LYS HG3 . . 5.400 4.699 4.529 4.780 . 0 0 "[ . 1 . 2]" 1
159 1 11 LYS H 1 31 LEU QD . . 4.160 4.045 3.832 4.165 0.005 16 0 "[ . 1 . 2]" 1
160 1 11 LYS H 1 60 VAL HA . . 4.890 4.670 4.462 4.845 . 0 0 "[ . 1 . 2]" 1
161 1 11 LYS H 1 60 VAL HB . . 3.860 3.637 3.394 3.766 . 0 0 "[ . 1 . 2]" 1
162 1 11 LYS H 1 60 VAL MG1 . . 4.890 4.821 4.632 4.894 0.004 5 0 "[ . 1 . 2]" 1
163 1 11 LYS H 1 60 VAL MG2 . . 4.670 4.535 4.262 4.673 0.003 11 0 "[ . 1 . 2]" 1
164 1 11 LYS H 1 61 GLU H . . 3.460 2.798 2.584 2.988 . 0 0 "[ . 1 . 2]" 1
165 1 11 LYS H 1 61 GLU QG . . 4.120 3.088 2.700 3.368 . 0 0 "[ . 1 . 2]" 1
166 1 11 LYS H 1 62 ASP HA . . 4.290 3.889 3.650 4.157 . 0 0 "[ . 1 . 2]" 1
167 1 11 LYS H 1 63 ILE H . . 4.560 3.879 3.361 4.154 . 0 0 "[ . 1 . 2]" 1
168 1 11 LYS H 1 63 ILE QG . . 4.460 3.224 2.923 3.497 . 0 0 "[ . 1 . 2]" 1
169 1 11 LYS H 1 63 ILE MG . . 3.580 2.503 2.091 2.925 . 0 0 "[ . 1 . 2]" 1
170 1 11 LYS HA 1 11 LYS QD . . 4.340 4.263 4.221 4.338 . 0 0 "[ . 1 . 2]" 1
171 1 11 LYS HA 1 11 LYS HG2 . . 3.760 3.109 2.940 3.520 . 0 0 "[ . 1 . 2]" 1
172 1 11 LYS HA 1 11 LYS HG3 . . 3.960 2.846 2.665 2.931 . 0 0 "[ . 1 . 2]" 1
173 1 11 LYS HA 1 12 ALA H . . 2.890 2.253 2.196 2.336 . 0 0 "[ . 1 . 2]" 1
174 1 11 LYS HA 1 12 ALA MB . . 4.200 3.983 3.909 4.031 . 0 0 "[ . 1 . 2]" 1
175 1 11 LYS HA 1 31 LEU HA . . 3.570 2.217 2.000 2.443 . 0 0 "[ . 1 . 2]" 1
176 1 11 LYS HA 1 31 LEU QD . . 2.990 2.263 2.014 2.634 . 0 0 "[ . 1 . 2]" 1
177 1 11 LYS HA 1 32 ILE H . . 4.120 3.693 3.500 3.878 . 0 0 "[ . 1 . 2]" 1
178 1 11 LYS HA 1 32 ILE MD . . 4.600 3.422 3.124 3.764 . 0 0 "[ . 1 . 2]" 1
179 1 11 LYS HA 1 63 ILE MD . . 4.310 3.762 3.376 4.092 . 0 0 "[ . 1 . 2]" 1
180 1 11 LYS HA 1 63 ILE MG . . 4.170 3.942 3.674 4.168 . 0 0 "[ . 1 . 2]" 1
181 1 11 LYS HB2 1 11 LYS QD . . 3.250 2.865 2.569 2.986 . 0 0 "[ . 1 . 2]" 1
182 1 11 LYS HB2 1 11 LYS HE2 . . 4.220 3.933 3.509 4.203 . 0 0 "[ . 1 . 2]" 1
183 1 11 LYS HB2 1 11 LYS QE . . 3.690 2.540 2.036 3.060 . 0 0 "[ . 1 . 2]" 1
184 1 11 LYS HB2 1 11 LYS HE3 . . 4.220 2.576 2.050 3.144 . 0 0 "[ . 1 . 2]" 1
185 1 11 LYS HB2 1 12 ALA H . . 4.530 3.877 3.684 3.995 . 0 0 "[ . 1 . 2]" 1
186 1 11 LYS HB2 1 31 LEU HA . . 5.010 3.858 3.527 4.321 . 0 0 "[ . 1 . 2]" 1
187 1 11 LYS HB2 1 31 LEU QD . . 3.050 2.029 1.902 2.271 . 0 0 "[ . 1 . 2]" 1
188 1 11 LYS HB2 1 61 GLU QG . . 4.950 4.342 3.848 4.672 . 0 0 "[ . 1 . 2]" 1
189 1 11 LYS HB2 1 63 ILE MG . . 2.970 2.289 1.996 2.475 . 0 0 "[ . 1 . 2]" 1
190 1 11 LYS HB3 1 11 LYS QE . . 4.750 3.356 3.098 3.681 . 0 0 "[ . 1 . 2]" 1
191 1 11 LYS HB3 1 12 ALA H . . 4.380 4.035 3.906 4.213 . 0 0 "[ . 1 . 2]" 1
192 1 11 LYS HB3 1 13 LEU MD2 . . 4.610 3.798 3.572 4.035 . 0 0 "[ . 1 . 2]" 1
193 1 11 LYS HB3 1 31 LEU HA . . 5.500 5.027 4.744 5.370 . 0 0 "[ . 1 . 2]" 1
194 1 11 LYS HB3 1 31 LEU QD . . 3.630 3.422 3.277 3.624 . 0 0 "[ . 1 . 2]" 1
195 1 11 LYS HB3 1 61 GLU H . . 4.350 3.786 3.630 3.972 . 0 0 "[ . 1 . 2]" 1
196 1 11 LYS HB3 1 61 GLU QG . . 3.760 2.843 2.330 3.173 . 0 0 "[ . 1 . 2]" 1
197 1 11 LYS HB3 1 63 ILE MD . . 4.210 3.587 3.327 3.890 . 0 0 "[ . 1 . 2]" 1
198 1 11 LYS HB3 1 63 ILE MG . . 3.100 2.172 1.969 2.383 . 0 0 "[ . 1 . 2]" 1
199 1 11 LYS QD 1 12 ALA H . . 4.520 4.215 4.025 4.522 0.002 16 0 "[ . 1 . 2]" 1
200 1 11 LYS QD 1 13 LEU MD2 . . 4.430 3.251 2.848 3.775 . 0 0 "[ . 1 . 2]" 1
201 1 11 LYS QD 1 29 GLY HA2 . . 4.000 2.790 2.564 2.930 . 0 0 "[ . 1 . 2]" 1
202 1 11 LYS QD 1 29 GLY HA3 . . 4.480 4.352 4.017 4.472 . 0 0 "[ . 1 . 2]" 1
203 1 11 LYS QD 1 31 LEU QD . . 3.690 3.554 3.372 3.680 . 0 0 "[ . 1 . 2]" 1
204 1 11 LYS QD 1 63 ILE MD . . 4.690 4.291 4.072 4.686 . 0 0 "[ . 1 . 2]" 1
205 1 11 LYS QD 1 63 ILE MG . . 3.580 2.957 2.720 3.297 . 0 0 "[ . 1 . 2]" 1
206 1 11 LYS QE 1 13 LEU MD2 . . 5.340 5.048 4.669 5.311 . 0 0 "[ . 1 . 2]" 1
207 1 11 LYS QE 1 29 GLY HA3 . . 4.740 4.068 3.527 4.560 . 0 0 "[ . 1 . 2]" 1
208 1 11 LYS QE 1 31 LEU QD . . 3.440 2.204 1.814 2.483 . 0 0 "[ . 1 . 2]" 1
209 1 11 LYS QE 1 61 GLU QG . . 5.340 5.151 4.898 5.335 . 0 0 "[ . 1 . 2]" 1
210 1 11 LYS QE 1 63 ILE MD . . 4.540 3.501 3.084 4.160 . 0 0 "[ . 1 . 2]" 1
211 1 11 LYS QE 1 63 ILE MG . . 3.890 3.329 2.763 3.829 . 0 0 "[ . 1 . 2]" 1
212 1 11 LYS HE2 1 11 LYS HG3 . . 3.660 2.930 2.624 3.463 . 0 0 "[ . 1 . 2]" 1
213 1 11 LYS HE2 1 29 GLY HA2 . . 4.120 3.265 2.704 4.119 . 0 0 "[ . 1 . 2]" 1
214 1 11 LYS HE2 1 29 GLY HA3 . . 5.500 4.427 3.616 5.402 . 0 0 "[ . 1 . 2]" 1
215 1 11 LYS HE2 1 31 LEU MD1 . . 5.500 4.521 2.959 5.497 . 0 0 "[ . 1 . 2]" 1
216 1 11 LYS HE2 1 31 LEU MD2 . . 5.500 3.909 2.696 5.501 0.001 16 0 "[ . 1 . 2]" 1
217 1 11 LYS HE3 1 11 LYS HG3 . . 3.660 2.322 2.109 2.613 . 0 0 "[ . 1 . 2]" 1
218 1 11 LYS HE3 1 29 GLY HA2 . . 4.120 3.857 3.179 4.114 . 0 0 "[ . 1 . 2]" 1
219 1 11 LYS HE3 1 29 GLY HA3 . . 5.500 5.109 4.189 5.452 . 0 0 "[ . 1 . 2]" 1
220 1 11 LYS HE3 1 31 LEU MD1 . . 5.500 3.493 2.076 4.313 . 0 0 "[ . 1 . 2]" 1
221 1 11 LYS HE3 1 31 LEU MD2 . . 5.500 2.945 1.849 4.794 . 0 0 "[ . 1 . 2]" 1
222 1 11 LYS HG2 1 12 ALA H . . 3.710 2.477 2.266 3.197 . 0 0 "[ . 1 . 2]" 1
223 1 11 LYS HG2 1 29 GLY H . . 4.520 3.497 3.215 4.037 . 0 0 "[ . 1 . 2]" 1
224 1 11 LYS HG2 1 29 GLY HA2 . . 4.240 3.093 2.792 3.603 . 0 0 "[ . 1 . 2]" 1
225 1 11 LYS HG3 1 12 ALA H . . 4.120 2.757 2.135 3.112 . 0 0 "[ . 1 . 2]" 1
226 1 11 LYS HG3 1 29 GLY H . . 5.040 3.922 3.551 4.123 . 0 0 "[ . 1 . 2]" 1
227 1 11 LYS HG3 1 29 GLY HA2 . . 4.250 2.680 2.253 2.950 . 0 0 "[ . 1 . 2]" 1
228 1 11 LYS HG3 1 29 GLY HA3 . . 4.330 4.143 3.775 4.330 . 0 0 "[ . 1 . 2]" 1
229 1 11 LYS HG3 1 31 LEU HA . . 4.680 4.254 4.023 4.536 . 0 0 "[ . 1 . 2]" 1
230 1 11 LYS HG3 1 31 LEU QD . . 2.720 2.178 1.961 2.725 0.005 16 0 "[ . 1 . 2]" 1
231 1 12 ALA H 1 12 ALA MB . . 3.030 2.213 2.079 2.299 . 0 0 "[ . 1 . 2]" 1
232 1 12 ALA H 1 28 ARG HA . . 5.230 4.846 4.488 5.057 . 0 0 "[ . 1 . 2]" 1
233 1 12 ALA H 1 29 GLY H . . 4.270 3.344 3.157 3.793 . 0 0 "[ . 1 . 2]" 1
234 1 12 ALA H 1 29 GLY HA2 . . 5.460 3.930 3.315 4.525 . 0 0 "[ . 1 . 2]" 1
235 1 12 ALA H 1 30 ALA H . . 4.150 3.461 1.939 3.943 . 0 0 "[ . 1 . 2]" 1
236 1 12 ALA H 1 30 ALA MB . . 4.160 3.657 3.438 4.068 . 0 0 "[ . 1 . 2]" 1
237 1 12 ALA H 1 31 LEU HA . . 4.100 3.583 3.139 3.951 . 0 0 "[ . 1 . 2]" 1
238 1 12 ALA H 1 31 LEU QD . . 3.670 3.348 3.029 3.671 0.001 15 0 "[ . 1 . 2]" 1
239 1 12 ALA H 1 32 ILE MD . . 4.200 3.669 3.235 3.943 . 0 0 "[ . 1 . 2]" 1
240 1 12 ALA H 1 60 VAL MG1 . . 4.270 3.771 3.503 4.062 . 0 0 "[ . 1 . 2]" 1
241 1 12 ALA HA 1 13 LEU H . . 3.210 2.158 2.142 2.179 . 0 0 "[ . 1 . 2]" 1
242 1 12 ALA HA 1 13 LEU MD2 . . 4.490 4.410 4.277 4.490 0.000 7 0 "[ . 1 . 2]" 1
243 1 12 ALA HA 1 13 LEU HG . . 3.950 3.645 3.451 3.806 . 0 0 "[ . 1 . 2]" 1
244 1 12 ALA HA 1 14 TYR H . . 3.780 3.540 3.422 3.670 . 0 0 "[ . 1 . 2]" 1
245 1 12 ALA HA 1 32 ILE MD . . 4.400 4.124 3.488 4.392 . 0 0 "[ . 1 . 2]" 1
246 1 12 ALA HA 1 60 VAL HA . . 3.380 2.316 2.056 2.495 . 0 0 "[ . 1 . 2]" 1
247 1 12 ALA HA 1 60 VAL HB . . 4.680 3.323 3.136 3.478 . 0 0 "[ . 1 . 2]" 1
248 1 12 ALA HA 1 60 VAL MG1 . . 3.140 2.007 1.961 2.142 . 0 0 "[ . 1 . 2]" 1
249 1 12 ALA HA 1 60 VAL MG2 . . 4.600 4.407 4.294 4.517 . 0 0 "[ . 1 . 2]" 1
250 1 12 ALA HA 1 61 GLU H . . 4.350 3.933 3.793 4.016 . 0 0 "[ . 1 . 2]" 1
251 1 12 ALA MB 1 13 LEU H . . 3.790 3.093 2.964 3.213 . 0 0 "[ . 1 . 2]" 1
252 1 12 ALA MB 1 13 LEU HA . . 4.990 4.278 4.203 4.346 . 0 0 "[ . 1 . 2]" 1
253 1 12 ALA MB 1 13 LEU MD2 . . 5.500 4.885 4.756 4.966 . 0 0 "[ . 1 . 2]" 1
254 1 12 ALA MB 1 14 TYR H . . 3.490 2.753 2.526 3.017 . 0 0 "[ . 1 . 2]" 1
255 1 12 ALA MB 1 16 TYR H . . 4.630 4.426 4.097 4.630 . 0 0 "[ . 1 . 2]" 1
256 1 12 ALA MB 1 26 PHE QD . . 3.180 2.088 1.855 2.794 . 0 0 "[ . 1 . 2]" 1
257 1 12 ALA MB 1 26 PHE QE . . 3.280 2.352 1.979 2.774 . 0 0 "[ . 1 . 2]" 1
258 1 12 ALA MB 1 26 PHE HZ . . 4.810 4.325 3.687 4.699 . 0 0 "[ . 1 . 2]" 1
259 1 12 ALA MB 1 28 ARG HA . . 3.120 2.360 2.011 2.762 . 0 0 "[ . 1 . 2]" 1
260 1 12 ALA MB 1 29 GLY H . . 3.180 2.192 1.882 2.883 . 0 0 "[ . 1 . 2]" 1
261 1 12 ALA MB 1 30 ALA H . . 3.120 2.493 1.855 2.958 . 0 0 "[ . 1 . 2]" 1
262 1 12 ALA MB 1 32 ILE MD . . 3.370 3.126 2.686 3.357 . 0 0 "[ . 1 . 2]" 1
263 1 12 ALA MB 1 60 VAL HA . . 4.340 3.972 3.717 4.141 . 0 0 "[ . 1 . 2]" 1
264 1 12 ALA MB 1 60 VAL MG1 . . 3.620 2.632 2.265 2.895 . 0 0 "[ . 1 . 2]" 1
265 1 13 LEU H 1 13 LEU HB2 . . 4.120 2.589 2.501 2.728 . 0 0 "[ . 1 . 2]" 1
266 1 13 LEU H 1 13 LEU QB . . 3.610 2.537 2.460 2.654 . 0 0 "[ . 1 . 2]" 1
267 1 13 LEU H 1 13 LEU HB3 . . 4.120 3.653 3.630 3.678 . 0 0 "[ . 1 . 2]" 1
268 1 13 LEU H 1 13 LEU MD1 . . 4.010 3.585 3.360 3.821 . 0 0 "[ . 1 . 2]" 1
269 1 13 LEU H 1 13 LEU MD2 . . 3.790 3.497 3.341 3.634 . 0 0 "[ . 1 . 2]" 1
270 1 13 LEU H 1 13 LEU HG . . 3.690 2.339 2.020 2.638 . 0 0 "[ . 1 . 2]" 1
271 1 13 LEU H 1 14 TYR H . . 3.150 2.302 2.141 2.476 . 0 0 "[ . 1 . 2]" 1
272 1 13 LEU H 1 14 TYR QD . . 5.050 3.743 3.371 4.195 . 0 0 "[ . 1 . 2]" 1
273 1 13 LEU H 1 60 VAL HA . . 3.570 2.493 2.290 2.663 . 0 0 "[ . 1 . 2]" 1
274 1 13 LEU H 1 60 VAL MG1 . . 3.780 3.412 3.123 3.601 . 0 0 "[ . 1 . 2]" 1
275 1 13 LEU H 1 61 GLU H . . 4.390 4.339 4.163 4.397 0.007 11 0 "[ . 1 . 2]" 1
276 1 13 LEU HA 1 13 LEU MD1 . . 4.200 3.941 3.877 4.004 . 0 0 "[ . 1 . 2]" 1
277 1 13 LEU HA 1 13 LEU MD2 . . 2.770 2.396 2.199 2.588 . 0 0 "[ . 1 . 2]" 1
278 1 13 LEU HA 1 13 LEU HG . . 3.730 3.153 3.113 3.199 . 0 0 "[ . 1 . 2]" 1
279 1 13 LEU HA 1 28 ARG HA . . 4.580 4.471 4.270 4.586 0.006 18 0 "[ . 1 . 2]" 1
280 1 13 LEU HA 1 28 ARG QG . . 4.820 4.401 3.017 4.831 0.011 7 0 "[ . 1 . 2]" 1
281 1 13 LEU QB 1 13 LEU MD1 . . 2.980 2.071 2.028 2.092 . 0 0 "[ . 1 . 2]" 1
282 1 13 LEU QB 1 14 TYR H . . 3.600 3.239 3.020 3.523 . 0 0 "[ . 1 . 2]" 1
283 1 13 LEU QB 1 14 TYR QD . . 3.890 2.602 2.095 2.924 . 0 0 "[ . 1 . 2]" 1
284 1 13 LEU QB 1 14 TYR QE . . 3.730 2.433 2.069 2.830 . 0 0 "[ . 1 . 2]" 1
285 1 13 LEU HB2 1 13 LEU MD1 . . 3.450 2.268 2.151 2.375 . 0 0 "[ . 1 . 2]" 1
286 1 13 LEU HB2 1 14 TYR QD . . 4.480 2.647 2.122 2.978 . 0 0 "[ . 1 . 2]" 1
287 1 13 LEU HB2 1 14 TYR QE . . 4.310 2.525 2.214 3.004 . 0 0 "[ . 1 . 2]" 1
288 1 13 LEU HB3 1 13 LEU MD1 . . 3.450 2.404 2.289 2.489 . 0 0 "[ . 1 . 2]" 1
289 1 13 LEU HB3 1 14 TYR QD . . 4.480 3.861 3.251 4.274 . 0 0 "[ . 1 . 2]" 1
290 1 13 LEU HB3 1 14 TYR QE . . 4.310 3.262 2.482 3.725 . 0 0 "[ . 1 . 2]" 1
291 1 13 LEU MD1 1 14 TYR H . . 5.410 4.941 4.715 5.142 . 0 0 "[ . 1 . 2]" 1
292 1 13 LEU MD1 1 14 TYR QD . . 4.240 3.944 3.699 4.111 . 0 0 "[ . 1 . 2]" 1
293 1 13 LEU MD1 1 14 TYR QE . . 3.440 2.699 2.294 3.017 . 0 0 "[ . 1 . 2]" 1
294 1 13 LEU MD1 1 59 TYR HA . . 4.840 3.810 3.276 4.333 . 0 0 "[ . 1 . 2]" 1
295 1 13 LEU MD1 1 60 VAL H . . 4.470 3.583 2.955 4.181 . 0 0 "[ . 1 . 2]" 1
296 1 13 LEU MD1 1 60 VAL HA . . 3.970 3.402 3.193 3.588 . 0 0 "[ . 1 . 2]" 1
297 1 13 LEU MD1 1 61 GLU H . . 4.490 3.772 3.532 4.072 . 0 0 "[ . 1 . 2]" 1
298 1 13 LEU MD1 1 61 GLU HB2 . . 3.630 3.381 3.175 3.615 . 0 0 "[ . 1 . 2]" 1
299 1 13 LEU MD1 1 61 GLU HB3 . . 3.630 2.026 1.899 2.270 . 0 0 "[ . 1 . 2]" 1
300 1 13 LEU MD1 1 61 GLU QG . . 3.820 3.222 2.787 3.605 . 0 0 "[ . 1 . 2]" 1
301 1 13 LEU MD2 1 14 TYR H . . 4.830 4.787 4.717 4.832 0.002 15 0 "[ . 1 . 2]" 1
302 1 13 LEU MD2 1 14 TYR QD . . 5.500 5.051 4.719 5.229 . 0 0 "[ . 1 . 2]" 1
303 1 13 LEU MD2 1 14 TYR QE . . 5.500 4.503 4.059 4.903 . 0 0 "[ . 1 . 2]" 1
304 1 13 LEU MD2 1 60 VAL HA . . 4.120 3.836 3.681 4.086 . 0 0 "[ . 1 . 2]" 1
305 1 13 LEU MD2 1 61 GLU H . . 4.130 3.490 3.244 3.816 . 0 0 "[ . 1 . 2]" 1
306 1 13 LEU MD2 1 61 GLU HB2 . . 4.150 3.423 3.146 3.948 . 0 0 "[ . 1 . 2]" 1
307 1 13 LEU MD2 1 61 GLU QB . . 3.350 2.272 1.947 2.963 . 0 0 "[ . 1 . 2]" 1
308 1 13 LEU MD2 1 61 GLU HB3 . . 4.150 2.309 1.964 3.062 . 0 0 "[ . 1 . 2]" 1
309 1 13 LEU MD2 1 61 GLU QG . . 3.370 1.907 1.765 2.099 . 0 0 "[ . 1 . 2]" 1
310 1 13 LEU HG 1 14 TYR H . . 4.540 4.401 4.250 4.537 . 0 0 "[ . 1 . 2]" 1
311 1 13 LEU HG 1 60 VAL HA . . 3.680 2.446 2.252 2.683 . 0 0 "[ . 1 . 2]" 1
312 1 13 LEU HG 1 60 VAL MG1 . . 4.560 4.376 4.165 4.539 . 0 0 "[ . 1 . 2]" 1
313 1 13 LEU HG 1 61 GLU H . . 4.070 3.133 2.826 3.518 . 0 0 "[ . 1 . 2]" 1
314 1 13 LEU HG 1 61 GLU QG . . 4.030 3.108 2.730 3.666 . 0 0 "[ . 1 . 2]" 1
315 1 14 TYR H 1 14 TYR QB . . 3.590 3.027 2.946 3.082 . 0 0 "[ . 1 . 2]" 1
316 1 14 TYR H 1 14 TYR QD . . 3.690 3.209 2.888 3.503 . 0 0 "[ . 1 . 2]" 1
317 1 14 TYR H 1 14 TYR QE . . 5.500 4.897 4.617 5.234 . 0 0 "[ . 1 . 2]" 1
318 1 14 TYR H 1 15 ASP H . . 4.490 4.284 4.179 4.357 . 0 0 "[ . 1 . 2]" 1
319 1 14 TYR H 1 28 ARG HA . . 3.890 3.218 2.949 3.401 . 0 0 "[ . 1 . 2]" 1
320 1 14 TYR H 1 28 ARG HB2 . . 5.480 3.846 3.649 4.418 . 0 0 "[ . 1 . 2]" 1
321 1 14 TYR H 1 28 ARG QB . . 4.710 3.768 3.586 4.244 . 0 0 "[ . 1 . 2]" 1
322 1 14 TYR H 1 28 ARG HB3 . . 5.480 5.412 5.235 5.493 0.013 7 0 "[ . 1 . 2]" 1
323 1 14 TYR H 1 28 ARG HD2 . . 5.310 3.563 2.785 4.573 . 0 0 "[ . 1 . 2]" 1
324 1 14 TYR H 1 28 ARG HD3 . . 5.310 4.056 3.475 5.292 . 0 0 "[ . 1 . 2]" 1
325 1 14 TYR H 1 28 ARG QG . . 5.270 4.856 2.953 5.271 0.001 7 0 "[ . 1 . 2]" 1
326 1 14 TYR H 1 29 GLY H . . 4.660 4.239 3.887 4.518 . 0 0 "[ . 1 . 2]" 1
327 1 14 TYR H 1 59 TYR HB3 . . 4.400 3.891 3.621 4.242 . 0 0 "[ . 1 . 2]" 1
328 1 14 TYR H 1 60 VAL HA . . 4.750 4.666 4.513 4.748 . 0 0 "[ . 1 . 2]" 1
329 1 14 TYR H 1 60 VAL MG1 . . 4.980 4.526 4.362 4.616 . 0 0 "[ . 1 . 2]" 1
330 1 14 TYR HA 1 14 TYR QD . . 3.800 2.948 2.725 3.166 . 0 0 "[ . 1 . 2]" 1
331 1 14 TYR HA 1 15 ASP H . . 3.140 2.250 2.179 2.316 . 0 0 "[ . 1 . 2]" 1
332 1 14 TYR HA 1 28 ARG HB2 . . 4.400 2.219 1.993 2.872 . 0 0 "[ . 1 . 2]" 1
333 1 14 TYR HA 1 28 ARG QB . . 3.810 2.205 1.984 2.832 . 0 0 "[ . 1 . 2]" 1
334 1 14 TYR HA 1 28 ARG HB3 . . 4.400 3.894 3.586 4.315 . 0 0 "[ . 1 . 2]" 1
335 1 14 TYR HA 1 28 ARG QG . . 4.230 3.698 2.615 3.930 . 0 0 "[ . 1 . 2]" 1
336 1 14 TYR QB 1 15 ASP H . . 3.350 2.807 2.641 3.029 . 0 0 "[ . 1 . 2]" 1
337 1 14 TYR QB 1 59 TYR QD . . 3.660 2.451 2.151 2.720 . 0 0 "[ . 1 . 2]" 1
338 1 14 TYR QB 1 59 TYR QE . . 3.850 2.919 2.428 3.177 . 0 0 "[ . 1 . 2]" 1
339 1 14 TYR HB2 1 15 ASP H . . 4.020 3.706 3.542 3.937 . 0 0 "[ . 1 . 2]" 1
340 1 14 TYR HB2 1 59 TYR QD . . 4.260 2.474 2.162 2.756 . 0 0 "[ . 1 . 2]" 1
341 1 14 TYR HB2 1 59 TYR QE . . 4.570 3.040 2.472 3.512 . 0 0 "[ . 1 . 2]" 1
342 1 14 TYR HB3 1 15 ASP H . . 4.020 2.909 2.726 3.159 . 0 0 "[ . 1 . 2]" 1
343 1 14 TYR HB3 1 59 TYR QD . . 4.260 4.019 3.682 4.256 . 0 0 "[ . 1 . 2]" 1
344 1 14 TYR HB3 1 59 TYR QE . . 4.570 3.822 3.408 4.242 . 0 0 "[ . 1 . 2]" 1
345 1 14 TYR QD 1 15 ASP H . . 4.580 4.325 4.031 4.514 . 0 0 "[ . 1 . 2]" 1
346 1 14 TYR QD 1 28 ARG HD2 . . 5.500 5.063 3.508 5.522 0.022 7 0 "[ . 1 . 2]" 1
347 1 14 TYR QD 1 28 ARG QD . . 4.760 4.025 3.277 4.469 . 0 0 "[ . 1 . 2]" 1
348 1 14 TYR QD 1 28 ARG HD3 . . 5.500 4.287 3.929 4.768 . 0 0 "[ . 1 . 2]" 1
349 1 14 TYR QD 1 59 TYR HA . . 3.460 2.482 2.141 2.791 . 0 0 "[ . 1 . 2]" 1
350 1 14 TYR QD 1 59 TYR HB3 . . 4.540 3.654 3.162 4.010 . 0 0 "[ . 1 . 2]" 1
351 1 14 TYR QD 1 59 TYR QD . . 3.900 3.341 2.688 3.737 . 0 0 "[ . 1 . 2]" 1
352 1 14 TYR QD 1 59 TYR QE . . 4.590 4.226 3.724 4.540 . 0 0 "[ . 1 . 2]" 1
353 1 14 TYR QE 1 59 TYR HA . . 3.710 3.402 2.887 3.710 . 0 0 "[ . 1 . 2]" 1
354 1 14 TYR QE 1 59 TYR QD . . 5.500 4.962 4.408 5.233 . 0 0 "[ . 1 . 2]" 1
355 1 15 ASP H 1 15 ASP HB2 . . 3.690 3.495 2.741 3.597 . 0 0 "[ . 1 . 2]" 1
356 1 15 ASP H 1 15 ASP QB . . 3.150 2.590 2.190 2.790 . 0 0 "[ . 1 . 2]" 1
357 1 15 ASP H 1 15 ASP HB3 . . 3.690 2.675 2.271 2.920 . 0 0 "[ . 1 . 2]" 1
358 1 15 ASP H 1 28 ARG H . . 4.320 3.384 2.925 3.919 . 0 0 "[ . 1 . 2]" 1
359 1 15 ASP H 1 28 ARG HB2 . . 4.310 2.523 2.240 2.792 . 0 0 "[ . 1 . 2]" 1
360 1 15 ASP H 1 28 ARG HB3 . . 4.310 3.547 3.178 4.168 . 0 0 "[ . 1 . 2]" 1
361 1 15 ASP H 1 28 ARG HD2 . . 5.430 4.879 4.095 5.433 0.003 7 0 "[ . 1 . 2]" 1
362 1 15 ASP H 1 28 ARG QD . . 4.660 4.123 2.720 4.641 . 0 0 "[ . 1 . 2]" 1
363 1 15 ASP H 1 28 ARG HD3 . . 5.430 4.489 2.760 5.197 . 0 0 "[ . 1 . 2]" 1
364 1 15 ASP H 1 28 ARG QG . . 4.600 4.417 3.827 4.604 0.004 9 0 "[ . 1 . 2]" 1
365 1 15 ASP HA 1 16 TYR H . . 3.130 2.150 2.138 2.196 . 0 0 "[ . 1 . 2]" 1
366 1 15 ASP HA 1 27 CYS HA . . 3.160 2.090 1.997 2.393 . 0 0 "[ . 1 . 2]" 1
367 1 15 ASP HA 1 27 CYS HB2 . . 4.940 4.387 3.710 4.817 . 0 0 "[ . 1 . 2]" 1
368 1 15 ASP HA 1 27 CYS QB . . 4.160 3.759 3.384 4.174 0.014 11 0 "[ . 1 . 2]" 1
369 1 15 ASP HA 1 27 CYS HB3 . . 4.940 4.223 3.482 4.830 . 0 0 "[ . 1 . 2]" 1
370 1 15 ASP HA 1 28 ARG H . . 3.750 2.251 1.900 2.801 . 0 0 "[ . 1 . 2]" 1
371 1 15 ASP HA 1 28 ARG QB . . 4.620 3.443 3.272 3.630 . 0 0 "[ . 1 . 2]" 1
372 1 15 ASP QB 1 16 TYR H . . 3.740 3.269 2.961 3.740 0.000 6 0 "[ . 1 . 2]" 1
373 1 15 ASP QB 1 27 CYS HA . . 3.640 2.780 2.513 3.210 . 0 0 "[ . 1 . 2]" 1
374 1 15 ASP HB2 1 16 TYR H . . 4.350 3.429 3.040 4.097 . 0 0 "[ . 1 . 2]" 1
375 1 15 ASP HB2 1 27 CYS HA . . 4.210 3.089 2.750 3.505 . 0 0 "[ . 1 . 2]" 1
376 1 15 ASP HB3 1 16 TYR H . . 4.350 4.163 4.033 4.337 . 0 0 "[ . 1 . 2]" 1
377 1 15 ASP HB3 1 27 CYS HA . . 4.210 3.253 2.698 4.189 . 0 0 "[ . 1 . 2]" 1
378 1 16 TYR H 1 16 TYR HB3 . . 4.100 2.833 2.643 2.957 . 0 0 "[ . 1 . 2]" 1
379 1 16 TYR H 1 26 PHE H . . 4.020 3.906 3.624 4.037 0.017 11 0 "[ . 1 . 2]" 1
380 1 16 TYR H 1 26 PHE QD . . 4.260 3.833 2.787 4.224 . 0 0 "[ . 1 . 2]" 1
381 1 16 TYR H 1 27 CYS HA . . 4.140 2.701 2.312 3.175 . 0 0 "[ . 1 . 2]" 1
382 1 16 TYR HA 1 16 TYR QD . . 3.880 2.961 2.664 3.148 . 0 0 "[ . 1 . 2]" 1
383 1 16 TYR HA 1 17 LYS H . . 2.980 2.194 2.137 2.401 . 0 0 "[ . 1 . 2]" 1
384 1 16 TYR HA 1 17 LYS HB2 . . 4.960 4.360 4.096 4.661 . 0 0 "[ . 1 . 2]" 1
385 1 16 TYR HA 1 17 LYS QB . . 4.200 4.020 3.879 4.101 . 0 0 "[ . 1 . 2]" 1
386 1 16 TYR HA 1 17 LYS HB3 . . 4.960 4.748 4.303 4.946 . 0 0 "[ . 1 . 2]" 1
387 1 16 TYR HA 1 59 TYR QE . . 4.220 4.107 3.546 4.223 0.003 9 0 "[ . 1 . 2]" 1
388 1 16 TYR HB2 1 26 PHE QE . . 4.350 3.505 2.731 3.979 . 0 0 "[ . 1 . 2]" 1
389 1 16 TYR HB2 1 26 PHE HZ . . 4.100 3.824 3.244 4.100 . 0 0 "[ . 1 . 2]" 1
390 1 16 TYR HB2 1 59 TYR QD . . 3.940 2.455 2.150 2.769 . 0 0 "[ . 1 . 2]" 1
391 1 16 TYR HB2 1 59 TYR QE . . 3.950 3.612 3.254 3.889 . 0 0 "[ . 1 . 2]" 1
392 1 16 TYR HB3 1 17 LYS H . . 4.270 4.007 3.466 4.272 0.002 3 0 "[ . 1 . 2]" 1
393 1 16 TYR HB3 1 26 PHE H . . 4.300 3.898 3.192 4.248 . 0 0 "[ . 1 . 2]" 1
394 1 16 TYR HB3 1 26 PHE QD . . 4.960 3.849 3.444 4.096 . 0 0 "[ . 1 . 2]" 1
395 1 16 TYR HB3 1 26 PHE QE . . 4.460 3.124 2.686 3.438 . 0 0 "[ . 1 . 2]" 1
396 1 16 TYR HB3 1 26 PHE HZ . . 4.410 3.192 2.795 3.574 . 0 0 "[ . 1 . 2]" 1
397 1 16 TYR HB3 1 59 TYR QD . . 4.320 4.041 3.775 4.322 0.002 20 0 "[ . 1 . 2]" 1
398 1 16 TYR HB3 1 59 TYR QE . . 5.410 5.242 4.899 5.412 0.002 3 0 "[ . 1 . 2]" 1
399 1 16 TYR QD 1 18 ALA HA . . 4.180 3.860 3.444 4.156 . 0 0 "[ . 1 . 2]" 1
400 1 16 TYR QD 1 18 ALA MB . . 4.800 4.219 3.333 4.788 . 0 0 "[ . 1 . 2]" 1
401 1 16 TYR QE 1 18 ALA HA . . 4.170 3.111 2.363 3.837 . 0 0 "[ . 1 . 2]" 1
402 1 16 TYR QE 1 18 ALA MB . . 4.960 4.153 3.411 4.764 . 0 0 "[ . 1 . 2]" 1
403 1 17 LYS H 1 17 LYS HB2 . . 3.780 2.765 2.455 3.433 . 0 0 "[ . 1 . 2]" 1
404 1 17 LYS H 1 17 LYS HB3 . . 3.780 2.720 2.401 2.973 . 0 0 "[ . 1 . 2]" 1
405 1 17 LYS H 1 17 LYS QG . . 4.250 4.064 3.967 4.203 . 0 0 "[ . 1 . 2]" 1
406 1 17 LYS HA 1 17 LYS QD . . 4.470 3.141 2.136 4.104 . 0 0 "[ . 1 . 2]" 1
407 1 17 LYS HA 1 17 LYS QG . . 3.540 2.467 2.176 2.905 . 0 0 "[ . 1 . 2]" 1
408 1 17 LYS HA 1 18 ALA H . . 3.050 2.204 2.140 2.358 . 0 0 "[ . 1 . 2]" 1
409 1 17 LYS HA 1 25 THR HA . . 3.490 3.100 2.599 3.487 . 0 0 "[ . 1 . 2]" 1
410 1 17 LYS HA 1 25 THR MG . . 2.880 2.479 1.977 2.859 . 0 0 "[ . 1 . 2]" 1
411 1 17 LYS HA 1 26 PHE H . . 4.150 3.427 3.050 3.764 . 0 0 "[ . 1 . 2]" 1
412 1 17 LYS QB 1 17 LYS QD . . 3.310 2.236 2.112 2.534 . 0 0 "[ . 1 . 2]" 1
413 1 17 LYS QB 1 17 LYS QE . . 4.570 3.045 1.973 3.780 . 0 0 "[ . 1 . 2]" 1
414 1 17 LYS HB2 1 18 ALA H . . 4.540 4.208 3.952 4.482 . 0 0 "[ . 1 . 2]" 1
415 1 17 LYS HB3 1 18 ALA H . . 4.540 3.915 3.453 4.245 . 0 0 "[ . 1 . 2]" 1
416 1 17 LYS QD 1 25 THR MG . . 3.960 3.105 1.926 3.966 0.006 6 0 "[ . 1 . 2]" 1
417 1 17 LYS QE 1 17 LYS QG . . 2.990 2.226 2.033 2.581 . 0 0 "[ . 1 . 2]" 1
418 1 17 LYS QE 1 25 THR MG . . 4.270 3.401 2.603 4.270 0.000 6 0 "[ . 1 . 2]" 1
419 1 17 LYS QG 1 18 ALA H . . 4.090 2.598 2.046 3.268 . 0 0 "[ . 1 . 2]" 1
420 1 18 ALA H 1 18 ALA MB . . 3.040 2.227 2.087 2.400 . 0 0 "[ . 1 . 2]" 1
421 1 18 ALA H 1 25 THR HB . . 4.690 4.416 4.194 4.691 0.001 14 0 "[ . 1 . 2]" 1
422 1 18 ALA H 1 25 THR MG . . 3.470 2.522 1.873 3.116 . 0 0 "[ . 1 . 2]" 1
423 1 18 ALA H 1 26 PHE H . . 4.560 4.276 3.562 4.568 0.008 15 0 "[ . 1 . 2]" 1
424 1 18 ALA HA 1 19 LYS QB . . 4.480 4.158 4.006 4.440 . 0 0 "[ . 1 . 2]" 1
425 1 18 ALA HA 1 20 ARG H . . 4.010 3.714 3.353 3.978 . 0 0 "[ . 1 . 2]" 1
426 1 18 ALA HA 1 23 GLU HB2 . . 4.320 3.433 2.415 4.299 . 0 0 "[ . 1 . 2]" 1
427 1 18 ALA HA 1 23 GLU QB . . 3.730 2.576 2.068 3.326 . 0 0 "[ . 1 . 2]" 1
428 1 18 ALA HA 1 23 GLU HB3 . . 4.320 2.738 2.108 4.326 0.006 6 0 "[ . 1 . 2]" 1
429 1 18 ALA HA 1 24 LEU H . . 4.720 4.313 3.725 4.728 0.008 10 0 "[ . 1 . 2]" 1
430 1 18 ALA MB 1 19 LYS H . . 4.270 3.181 2.391 3.416 . 0 0 "[ . 1 . 2]" 1
431 1 18 ALA MB 1 19 LYS HA . . 4.530 4.348 4.009 4.526 . 0 0 "[ . 1 . 2]" 1
432 1 18 ALA MB 1 19 LYS QB . . 4.860 4.599 3.976 4.829 . 0 0 "[ . 1 . 2]" 1
433 1 18 ALA MB 1 20 ARG H . . 3.750 3.160 2.217 3.758 0.008 6 0 "[ . 1 . 2]" 1
434 1 18 ALA MB 1 23 GLU HA . . 4.680 4.118 3.752 4.607 . 0 0 "[ . 1 . 2]" 1
435 1 18 ALA MB 1 23 GLU HB2 . . 3.780 2.873 1.768 3.782 0.002 10 0 "[ . 1 . 2]" 1
436 1 18 ALA MB 1 23 GLU QB . . 3.180 2.027 1.758 2.437 . 0 0 "[ . 1 . 2]" 1
437 1 18 ALA MB 1 23 GLU HB3 . . 3.780 2.245 1.788 3.074 . 0 0 "[ . 1 . 2]" 1
438 1 18 ALA MB 1 23 GLU HG2 . . 4.940 3.775 2.000 4.737 . 0 0 "[ . 1 . 2]" 1
439 1 18 ALA MB 1 23 GLU QG . . 4.280 3.341 1.988 4.274 . 0 0 "[ . 1 . 2]" 1
440 1 18 ALA MB 1 23 GLU HG3 . . 4.940 3.887 2.134 4.864 . 0 0 "[ . 1 . 2]" 1
441 1 18 ALA MB 1 24 LEU H . . 4.270 3.201 2.387 3.952 . 0 0 "[ . 1 . 2]" 1
442 1 18 ALA MB 1 24 LEU HA . . 4.500 3.276 2.967 3.963 . 0 0 "[ . 1 . 2]" 1
443 1 18 ALA MB 1 24 LEU QB . . 5.000 4.219 3.730 4.953 . 0 0 "[ . 1 . 2]" 1
444 1 18 ALA MB 1 25 THR H . . 3.710 3.230 2.649 3.712 0.002 15 0 "[ . 1 . 2]" 1
445 1 18 ALA MB 1 25 THR HB . . 4.360 3.858 3.501 4.285 . 0 0 "[ . 1 . 2]" 1
446 1 19 LYS H 1 20 ARG H . . 3.810 2.496 1.792 3.051 . 0 0 "[ . 1 . 2]" 1
447 1 19 LYS HA 1 19 LYS QD . . 3.790 3.356 2.028 3.787 . 0 0 "[ . 1 . 2]" 1
448 1 19 LYS HA 1 19 LYS HG2 . . 3.800 2.920 2.194 3.774 . 0 0 "[ . 1 . 2]" 1
449 1 19 LYS HA 1 19 LYS QG . . 3.240 2.359 2.165 2.841 . 0 0 "[ . 1 . 2]" 1
450 1 19 LYS HA 1 19 LYS HG3 . . 3.800 2.883 2.229 3.800 . 0 0 "[ . 1 . 2]" 1
451 1 19 LYS QB 1 19 LYS QD . . 3.350 2.169 2.010 2.497 . 0 0 "[ . 1 . 2]" 1
452 1 19 LYS QB 1 19 LYS QE . . 4.290 3.041 2.197 3.761 . 0 0 "[ . 1 . 2]" 1
453 1 19 LYS QB 1 20 ARG H . . 3.920 2.984 2.482 3.842 . 0 0 "[ . 1 . 2]" 1
454 1 19 LYS QE 1 19 LYS QG . . 3.450 2.206 2.097 2.586 . 0 0 "[ . 1 . 2]" 1
455 1 19 LYS HG2 1 20 ARG H . . 5.050 4.738 3.798 5.051 0.001 9 0 "[ . 1 . 2]" 1
456 1 19 LYS HG3 1 20 ARG H . . 5.050 4.762 3.942 5.053 0.003 13 0 "[ . 1 . 2]" 1
457 1 20 ARG H 1 20 ARG QB . . 3.590 2.661 2.192 3.035 . 0 0 "[ . 1 . 2]" 1
458 1 20 ARG H 1 20 ARG QG . . 4.350 3.480 2.314 4.316 . 0 0 "[ . 1 . 2]" 1
459 1 20 ARG H 1 21 SER H . . 4.590 4.082 2.474 4.631 0.041 6 0 "[ . 1 . 2]" 1
460 1 20 ARG H 1 23 GLU HB2 . . 4.460 3.291 2.619 4.458 . 0 0 "[ . 1 . 2]" 1
461 1 20 ARG H 1 23 GLU QB . . 3.800 3.032 2.470 3.727 . 0 0 "[ . 1 . 2]" 1
462 1 20 ARG H 1 23 GLU HB3 . . 4.460 3.881 2.850 4.463 0.003 11 0 "[ . 1 . 2]" 1
463 1 22 ASP H 1 23 GLU HA . . 5.500 5.048 4.545 5.450 . 0 0 "[ . 1 . 2]" 1
464 1 22 ASP H 1 23 GLU HB2 . . 5.500 4.206 3.534 5.523 0.023 6 0 "[ . 1 . 2]" 1
465 1 22 ASP H 1 23 GLU QB . . 4.670 3.990 3.473 4.590 . 0 0 "[ . 1 . 2]" 1
466 1 22 ASP H 1 23 GLU HB3 . . 5.500 5.257 4.479 5.514 0.014 8 0 "[ . 1 . 2]" 1
467 1 23 GLU HA 1 23 GLU QG . . 3.670 2.492 2.138 3.388 . 0 0 "[ . 1 . 2]" 1
468 1 23 GLU HA 1 24 LEU H . . 3.510 2.523 2.336 2.652 . 0 0 "[ . 1 . 2]" 1
469 1 23 GLU HA 1 24 LEU QB . . 4.430 4.041 3.917 4.294 . 0 0 "[ . 1 . 2]" 1
470 1 23 GLU HA 1 53 GLN HB2 . . 5.500 5.325 5.053 5.498 . 0 0 "[ . 1 . 2]" 1
471 1 23 GLU HA 1 53 GLN QB . . 4.630 3.701 3.366 4.021 . 0 0 "[ . 1 . 2]" 1
472 1 23 GLU HA 1 53 GLN HB3 . . 5.500 3.778 3.412 4.134 . 0 0 "[ . 1 . 2]" 1
473 1 23 GLU HA 1 54 TYR HB2 . . 4.880 3.242 2.569 3.768 . 0 0 "[ . 1 . 2]" 1
474 1 23 GLU HA 1 54 TYR QB . . 4.060 3.115 2.497 3.612 . 0 0 "[ . 1 . 2]" 1
475 1 23 GLU HA 1 54 TYR HB3 . . 4.880 4.073 3.344 4.634 . 0 0 "[ . 1 . 2]" 1
476 1 23 GLU HA 1 54 TYR QD . . 5.490 4.998 4.319 5.476 . 0 0 "[ . 1 . 2]" 1
477 1 23 GLU QB 1 24 LEU H . . 4.230 2.529 1.925 3.219 . 0 0 "[ . 1 . 2]" 1
478 1 23 GLU HB2 1 24 LEU H . . 5.080 3.655 1.943 4.075 . 0 0 "[ . 1 . 2]" 1
479 1 23 GLU HB3 1 24 LEU H . . 5.080 2.658 1.938 3.372 . 0 0 "[ . 1 . 2]" 1
480 1 23 GLU QG 1 24 LEU H . . 4.820 2.756 1.856 3.973 . 0 0 "[ . 1 . 2]" 1
481 1 24 LEU H 1 24 LEU QB . . 3.660 2.407 2.323 2.607 . 0 0 "[ . 1 . 2]" 1
482 1 24 LEU H 1 24 LEU MD1 . . 4.650 4.271 4.013 4.449 . 0 0 "[ . 1 . 2]" 1
483 1 24 LEU H 1 24 LEU QD . . 3.990 3.830 3.605 4.000 0.010 6 0 "[ . 1 . 2]" 1
484 1 24 LEU H 1 24 LEU MD2 . . 4.650 4.332 4.028 4.534 . 0 0 "[ . 1 . 2]" 1
485 1 24 LEU H 1 24 LEU HG . . 4.400 4.182 3.308 4.468 0.068 9 0 "[ . 1 . 2]" 1
486 1 24 LEU H 1 25 THR H . . 4.770 4.442 4.211 4.526 . 0 0 "[ . 1 . 2]" 1
487 1 24 LEU H 1 53 GLN QB . . 5.320 3.820 3.277 4.568 . 0 0 "[ . 1 . 2]" 1
488 1 24 LEU HA 1 24 LEU MD1 . . 4.350 2.777 2.022 3.825 . 0 0 "[ . 1 . 2]" 1
489 1 24 LEU HA 1 24 LEU QD . . 3.020 2.206 1.953 2.857 . 0 0 "[ . 1 . 2]" 1
490 1 24 LEU HA 1 24 LEU MD2 . . 4.350 3.305 1.959 3.953 . 0 0 "[ . 1 . 2]" 1
491 1 24 LEU HA 1 24 LEU HG . . 4.240 2.940 2.277 3.274 . 0 0 "[ . 1 . 2]" 1
492 1 24 LEU HA 1 25 THR H . . 3.040 2.213 2.146 2.324 . 0 0 "[ . 1 . 2]" 1
493 1 24 LEU HA 1 50 ARG QG . . 4.200 3.070 2.432 4.199 . 0 0 "[ . 1 . 2]" 1
494 1 24 LEU QB 1 25 THR H . . 3.780 3.415 2.653 3.766 . 0 0 "[ . 1 . 2]" 1
495 1 24 LEU QB 1 26 PHE QD . . 3.740 2.852 1.983 3.316 . 0 0 "[ . 1 . 2]" 1
496 1 24 LEU QB 1 26 PHE QE . . 4.020 2.602 2.001 2.897 . 0 0 "[ . 1 . 2]" 1
497 1 24 LEU QB 1 55 PHE QB . . 4.430 2.067 1.818 2.513 . 0 0 "[ . 1 . 2]" 1
498 1 24 LEU HB2 1 25 THR H . . 4.340 4.114 3.913 4.330 . 0 0 "[ . 1 . 2]" 1
499 1 24 LEU HB2 1 26 PHE QD . . 4.580 4.201 3.190 4.580 . 0 0 "[ . 1 . 2]" 1
500 1 24 LEU HB2 1 26 PHE QE . . 4.660 3.912 2.097 4.662 0.002 5 0 "[ . 1 . 2]" 1
501 1 24 LEU HB3 1 25 THR H . . 4.340 3.735 2.692 4.262 . 0 0 "[ . 1 . 2]" 1
502 1 24 LEU HB3 1 26 PHE QD . . 4.580 2.906 1.999 3.406 . 0 0 "[ . 1 . 2]" 1
503 1 24 LEU HB3 1 26 PHE QE . . 4.660 2.751 2.360 3.287 . 0 0 "[ . 1 . 2]" 1
504 1 24 LEU QD 1 25 THR H . . 3.590 2.472 1.965 2.976 . 0 0 "[ . 1 . 2]" 1
505 1 24 LEU QD 1 26 PHE QD . . 3.620 2.752 1.952 3.284 . 0 0 "[ . 1 . 2]" 1
506 1 24 LEU QD 1 26 PHE QE . . 4.080 3.188 2.436 3.528 . 0 0 "[ . 1 . 2]" 1
507 1 24 LEU QD 1 32 ILE MD . . 3.920 3.404 2.836 3.923 0.003 18 0 "[ . 1 . 2]" 1
508 1 24 LEU QD 1 32 ILE HG12 . . 3.900 2.452 2.016 3.011 . 0 0 "[ . 1 . 2]" 1
509 1 24 LEU QD 1 32 ILE MG . . 2.980 2.623 2.222 2.921 . 0 0 "[ . 1 . 2]" 1
510 1 24 LEU QD 1 45 GLY H . . 4.490 3.764 2.852 4.490 0.000 6 0 "[ . 1 . 2]" 1
511 1 24 LEU QD 1 46 ASP HA . . 4.520 3.552 3.042 3.993 . 0 0 "[ . 1 . 2]" 1
512 1 24 LEU QD 1 47 TYR H . . 3.750 2.883 2.463 3.316 . 0 0 "[ . 1 . 2]" 1
513 1 24 LEU QD 1 47 TYR QB . . 2.900 1.846 1.661 2.090 . 0 0 "[ . 1 . 2]" 1
514 1 24 LEU QD 1 47 TYR QD . . 3.690 2.411 1.994 2.924 . 0 0 "[ . 1 . 2]" 1
515 1 24 LEU QD 1 47 TYR QE . . 5.440 4.124 3.747 4.566 . 0 0 "[ . 1 . 2]" 1
516 1 24 LEU QD 1 50 ARG H . . 4.180 3.810 3.636 4.058 . 0 0 "[ . 1 . 2]" 1
517 1 24 LEU QD 1 50 ARG HA . . 4.140 4.010 3.779 4.151 0.011 18 0 "[ . 1 . 2]" 1
518 1 24 LEU QD 1 50 ARG QB . . 3.090 1.815 1.709 1.949 . 0 0 "[ . 1 . 2]" 1
519 1 24 LEU QD 1 50 ARG QD . . 3.860 3.075 1.755 3.740 . 0 0 "[ . 1 . 2]" 1
520 1 24 LEU QD 1 50 ARG QG . . 4.150 2.045 1.780 2.638 . 0 0 "[ . 1 . 2]" 1
521 1 24 LEU QD 1 53 GLN H . . 3.870 3.120 2.120 3.617 . 0 0 "[ . 1 . 2]" 1
522 1 24 LEU QD 1 53 GLN QB . . 3.340 2.089 1.837 2.379 . 0 0 "[ . 1 . 2]" 1
523 1 24 LEU QD 1 53 GLN QG . . 3.590 2.741 2.251 3.286 . 0 0 "[ . 1 . 2]" 1
524 1 24 LEU QD 1 55 PHE QB . . 3.760 2.268 1.875 2.770 . 0 0 "[ . 1 . 2]" 1
525 1 24 LEU QD 1 55 PHE QD . . 3.580 2.754 2.053 3.155 . 0 0 "[ . 1 . 2]" 1
526 1 24 LEU MD1 1 25 THR H . . 4.800 3.265 1.970 4.718 . 0 0 "[ . 1 . 2]" 1
527 1 24 LEU MD1 1 26 PHE QD . . 4.450 3.643 3.128 4.205 . 0 0 "[ . 1 . 2]" 1
528 1 24 LEU MD1 1 32 ILE MD . . 5.460 4.675 3.251 5.465 0.005 20 0 "[ . 1 . 2]" 1
529 1 24 LEU MD1 1 32 ILE HG12 . . 5.090 3.828 2.354 4.819 . 0 0 "[ . 1 . 2]" 1
530 1 24 LEU MD1 1 47 TYR H . . 4.840 3.152 2.582 3.981 . 0 0 "[ . 1 . 2]" 1
531 1 24 LEU MD1 1 47 TYR HB2 . . 3.840 3.165 2.446 3.689 . 0 0 "[ . 1 . 2]" 1
532 1 24 LEU MD1 1 47 TYR HB3 . . 3.840 2.307 1.805 3.039 . 0 0 "[ . 1 . 2]" 1
533 1 24 LEU MD1 1 47 TYR QD . . 4.250 3.054 2.004 4.255 0.005 12 0 "[ . 1 . 2]" 1
534 1 24 LEU MD1 1 53 GLN H . . 4.620 3.402 2.123 4.225 . 0 0 "[ . 1 . 2]" 1
535 1 24 LEU MD1 1 53 GLN HB2 . . 5.110 2.331 1.917 2.969 . 0 0 "[ . 1 . 2]" 1
536 1 24 LEU MD1 1 53 GLN HB3 . . 5.110 3.245 2.945 3.910 . 0 0 "[ . 1 . 2]" 1
537 1 24 LEU MD2 1 25 THR H . . 4.800 3.611 2.385 4.570 . 0 0 "[ . 1 . 2]" 1
538 1 24 LEU MD2 1 26 PHE QD . . 4.450 2.974 1.957 3.917 . 0 0 "[ . 1 . 2]" 1
539 1 24 LEU MD2 1 32 ILE MD . . 5.460 3.860 2.858 5.463 0.003 14 0 "[ . 1 . 2]" 1
540 1 24 LEU MD2 1 32 ILE HG12 . . 5.090 2.977 2.021 4.750 . 0 0 "[ . 1 . 2]" 1
541 1 24 LEU MD2 1 47 TYR H . . 4.840 3.566 2.559 4.127 . 0 0 "[ . 1 . 2]" 1
542 1 24 LEU MD2 1 47 TYR HB2 . . 3.840 2.729 2.058 3.583 . 0 0 "[ . 1 . 2]" 1
543 1 24 LEU MD2 1 47 TYR HB3 . . 3.840 2.218 1.777 2.600 . 0 0 "[ . 1 . 2]" 1
544 1 24 LEU MD2 1 47 TYR QD . . 4.250 3.050 2.096 3.780 . 0 0 "[ . 1 . 2]" 1
545 1 24 LEU MD2 1 53 GLN H . . 4.620 3.957 3.321 4.639 0.019 12 0 "[ . 1 . 2]" 1
546 1 24 LEU MD2 1 53 GLN HB2 . . 5.110 3.066 1.906 3.816 . 0 0 "[ . 1 . 2]" 1
547 1 24 LEU MD2 1 53 GLN HB3 . . 5.110 3.943 2.577 4.871 . 0 0 "[ . 1 . 2]" 1
548 1 24 LEU HG 1 26 PHE QD . . 5.460 3.167 1.998 5.205 . 0 0 "[ . 1 . 2]" 1
549 1 24 LEU HG 1 53 GLN QB . . 5.040 3.328 1.802 4.475 . 0 0 "[ . 1 . 2]" 1
550 1 24 LEU HG 1 55 PHE QD . . 5.410 5.009 3.335 5.412 0.002 10 0 "[ . 1 . 2]" 1
551 1 25 THR H 1 25 THR HB . . 3.400 2.666 2.499 2.853 . 0 0 "[ . 1 . 2]" 1
552 1 25 THR H 1 25 THR MG . . 3.950 3.833 3.792 3.878 . 0 0 "[ . 1 . 2]" 1
553 1 25 THR H 1 26 PHE H . . 4.520 4.398 4.120 4.548 0.028 6 0 "[ . 1 . 2]" 1
554 1 25 THR H 1 26 PHE QD . . 4.360 3.732 3.360 4.144 . 0 0 "[ . 1 . 2]" 1
555 1 25 THR HB 1 26 PHE H . . 4.510 4.113 3.818 4.424 . 0 0 "[ . 1 . 2]" 1
556 1 25 THR MG 1 26 PHE H . . 3.170 2.653 2.228 3.141 . 0 0 "[ . 1 . 2]" 1
557 1 25 THR MG 1 26 PHE HA . . 3.840 3.521 3.234 3.781 . 0 0 "[ . 1 . 2]" 1
558 1 25 THR MG 1 47 TYR QE . . 4.460 4.334 4.067 4.463 0.003 15 0 "[ . 1 . 2]" 1
559 1 26 PHE H 1 26 PHE QD . . 3.970 3.037 2.357 3.298 . 0 0 "[ . 1 . 2]" 1
560 1 26 PHE H 1 26 PHE QE . . 4.630 4.379 3.987 4.598 . 0 0 "[ . 1 . 2]" 1
561 1 26 PHE H 1 47 TYR QE . . 4.940 4.729 4.402 4.942 0.002 19 0 "[ . 1 . 2]" 1
562 1 26 PHE HA 1 26 PHE QD . . 4.010 3.700 3.595 3.728 . 0 0 "[ . 1 . 2]" 1
563 1 26 PHE HA 1 27 CYS H . . 3.270 2.347 2.167 2.588 . 0 0 "[ . 1 . 2]" 1
564 1 26 PHE HA 1 30 ALA MB . . 4.000 3.525 3.204 3.780 . 0 0 "[ . 1 . 2]" 1
565 1 26 PHE HA 1 47 TYR QE . . 3.800 2.550 2.143 3.208 . 0 0 "[ . 1 . 2]" 1
566 1 26 PHE QB 1 27 CYS H . . 3.640 2.559 2.026 3.089 . 0 0 "[ . 1 . 2]" 1
567 1 26 PHE QB 1 30 ALA MB . . 3.060 2.066 1.794 2.373 . 0 0 "[ . 1 . 2]" 1
568 1 26 PHE QB 1 32 ILE MD . . 3.980 3.494 3.191 3.975 . 0 0 "[ . 1 . 2]" 1
569 1 26 PHE QB 1 47 TYR QE . . 4.280 2.815 2.170 3.356 . 0 0 "[ . 1 . 2]" 1
570 1 26 PHE HB2 1 27 CYS H . . 4.150 2.606 2.040 3.186 . 0 0 "[ . 1 . 2]" 1
571 1 26 PHE HB2 1 30 ALA MB . . 3.550 2.095 1.814 2.410 . 0 0 "[ . 1 . 2]" 1
572 1 26 PHE HB2 1 32 ILE MD . . 4.720 3.855 3.449 4.529 . 0 0 "[ . 1 . 2]" 1
573 1 26 PHE HB3 1 27 CYS H . . 4.150 3.803 3.441 4.152 0.002 18 0 "[ . 1 . 2]" 1
574 1 26 PHE HB3 1 30 ALA MB . . 3.550 3.164 2.801 3.557 0.007 9 0 "[ . 1 . 2]" 1
575 1 26 PHE HB3 1 32 ILE MD . . 4.720 4.009 3.655 4.400 . 0 0 "[ . 1 . 2]" 1
576 1 26 PHE QD 1 27 CYS H . . 4.720 3.707 2.983 4.254 . 0 0 "[ . 1 . 2]" 1
577 1 26 PHE QD 1 28 ARG HA . . 4.750 4.470 4.312 4.686 . 0 0 "[ . 1 . 2]" 1
578 1 26 PHE QD 1 30 ALA MB . . 3.720 2.873 2.466 3.260 . 0 0 "[ . 1 . 2]" 1
579 1 26 PHE QD 1 32 ILE MD . . 3.700 3.544 2.652 3.699 . 0 0 "[ . 1 . 2]" 1
580 1 26 PHE QD 1 32 ILE HG13 . . 5.140 4.918 4.272 5.138 . 0 0 "[ . 1 . 2]" 1
581 1 26 PHE QD 1 55 PHE QB . . 5.110 3.992 3.550 4.459 . 0 0 "[ . 1 . 2]" 1
582 1 26 PHE QE 1 32 ILE MD . . 4.050 3.854 2.898 4.047 . 0 0 "[ . 1 . 2]" 1
583 1 26 PHE QE 1 55 PHE HB2 . . 4.210 2.460 2.001 2.807 . 0 0 "[ . 1 . 2]" 1
584 1 26 PHE QE 1 55 PHE HB3 . . 4.210 3.195 2.780 3.741 . 0 0 "[ . 1 . 2]" 1
585 1 26 PHE QE 1 55 PHE QD . . 4.730 3.890 3.270 4.221 . 0 0 "[ . 1 . 2]" 1
586 1 26 PHE QE 1 56 PRO HD2 . . 5.140 2.736 2.113 3.352 . 0 0 "[ . 1 . 2]" 1
587 1 26 PHE QE 1 56 PRO QD . . 4.430 2.695 2.095 3.294 . 0 0 "[ . 1 . 2]" 1
588 1 26 PHE QE 1 56 PRO HD3 . . 5.140 4.072 3.389 4.839 . 0 0 "[ . 1 . 2]" 1
589 1 26 PHE QE 1 56 PRO QG . . 5.350 3.614 3.216 4.122 . 0 0 "[ . 1 . 2]" 1
590 1 26 PHE QE 1 59 TYR HB2 . . 4.580 3.951 3.565 4.479 . 0 0 "[ . 1 . 2]" 1
591 1 26 PHE QE 1 59 TYR HB3 . . 4.420 3.001 2.538 3.551 . 0 0 "[ . 1 . 2]" 1
592 1 26 PHE QE 1 60 VAL MG1 . . 3.910 2.807 2.476 3.673 . 0 0 "[ . 1 . 2]" 1
593 1 26 PHE HZ 1 32 ILE MD . . 5.500 4.583 4.119 4.916 . 0 0 "[ . 1 . 2]" 1
594 1 26 PHE HZ 1 55 PHE HB2 . . 4.890 3.109 2.806 3.284 . 0 0 "[ . 1 . 2]" 1
595 1 26 PHE HZ 1 55 PHE QB . . 4.240 3.065 2.767 3.235 . 0 0 "[ . 1 . 2]" 1
596 1 26 PHE HZ 1 55 PHE HB3 . . 4.890 4.673 4.206 4.893 0.003 12 0 "[ . 1 . 2]" 1
597 1 26 PHE HZ 1 56 PRO HD2 . . 4.830 2.533 2.033 3.025 . 0 0 "[ . 1 . 2]" 1
598 1 26 PHE HZ 1 56 PRO QD . . 4.210 2.510 2.023 2.989 . 0 0 "[ . 1 . 2]" 1
599 1 26 PHE HZ 1 56 PRO HD3 . . 4.830 4.087 3.368 4.643 . 0 0 "[ . 1 . 2]" 1
600 1 26 PHE HZ 1 56 PRO QG . . 5.190 2.474 1.960 3.095 . 0 0 "[ . 1 . 2]" 1
601 1 26 PHE HZ 1 59 TYR HB2 . . 4.490 3.450 3.028 3.985 . 0 0 "[ . 1 . 2]" 1
602 1 26 PHE HZ 1 59 TYR HB3 . . 4.470 3.564 3.196 4.116 . 0 0 "[ . 1 . 2]" 1
603 1 26 PHE HZ 1 60 VAL MG1 . . 3.940 3.222 2.652 3.696 . 0 0 "[ . 1 . 2]" 1
604 1 27 CYS H 1 27 CYS HB2 . . 4.050 3.009 2.499 3.807 . 0 0 "[ . 1 . 2]" 1
605 1 27 CYS H 1 27 CYS QB . . 3.550 2.652 2.291 3.063 . 0 0 "[ . 1 . 2]" 1
606 1 27 CYS H 1 27 CYS HB3 . . 4.050 3.228 2.409 3.811 . 0 0 "[ . 1 . 2]" 1
607 1 27 CYS H 1 30 ALA MB . . 4.110 2.565 2.200 3.133 . 0 0 "[ . 1 . 2]" 1
608 1 27 CYS HA 1 28 ARG H . . 3.220 2.433 2.294 2.643 . 0 0 "[ . 1 . 2]" 1
609 1 27 CYS HA 1 28 ARG HA . . 4.620 4.294 4.289 4.317 . 0 0 "[ . 1 . 2]" 1
610 1 27 CYS HA 1 28 ARG HB2 . . 5.160 4.959 4.538 5.063 . 0 0 "[ . 1 . 2]" 1
611 1 27 CYS HA 1 28 ARG QB . . 4.430 4.299 4.242 4.359 . 0 0 "[ . 1 . 2]" 1
612 1 27 CYS HA 1 28 ARG HB3 . . 5.160 4.729 4.578 5.202 0.042 18 0 "[ . 1 . 2]" 1
613 1 27 CYS HB2 1 28 ARG H . . 3.790 3.255 2.209 3.825 0.035 3 0 "[ . 1 . 2]" 1
614 1 27 CYS HB3 1 28 ARG H . . 3.790 3.107 1.998 3.806 0.016 18 0 "[ . 1 . 2]" 1
615 1 28 ARG H 1 28 ARG HB2 . . 3.550 2.784 2.232 2.941 . 0 0 "[ . 1 . 2]" 1
616 1 28 ARG H 1 28 ARG HB3 . . 3.550 2.322 2.181 2.968 . 0 0 "[ . 1 . 2]" 1
617 1 28 ARG H 1 28 ARG HD2 . . 5.470 4.739 4.538 5.510 0.040 18 0 "[ . 1 . 2]" 1
618 1 28 ARG H 1 28 ARG QD . . 4.620 4.338 4.126 4.461 . 0 0 "[ . 1 . 2]" 1
619 1 28 ARG H 1 28 ARG HD3 . . 5.470 5.171 4.262 5.423 . 0 0 "[ . 1 . 2]" 1
620 1 28 ARG H 1 28 ARG QG . . 4.000 3.890 3.795 3.992 . 0 0 "[ . 1 . 2]" 1
621 1 28 ARG HA 1 28 ARG QG . . 3.320 3.064 2.202 3.248 . 0 0 "[ . 1 . 2]" 1
622 1 28 ARG HA 1 29 GLY H . . 2.880 2.169 2.144 2.288 . 0 0 "[ . 1 . 2]" 1
623 1 28 ARG HA 1 29 GLY HA3 . . 4.560 4.411 4.389 4.491 . 0 0 "[ . 1 . 2]" 1
624 1 28 ARG HA 1 30 ALA H . . 3.840 3.661 3.389 3.845 0.005 16 0 "[ . 1 . 2]" 1
625 1 28 ARG QB 1 28 ARG QD . . 2.940 2.291 2.032 2.393 . 0 0 "[ . 1 . 2]" 1
626 1 28 ARG QB 1 29 GLY H . . 3.950 3.728 3.472 3.950 . 13 0 "[ . 1 . 2]" 1
627 1 28 ARG HB2 1 28 ARG HD2 . . 3.920 2.763 2.583 3.398 . 0 0 "[ . 1 . 2]" 1
628 1 28 ARG HB2 1 28 ARG HD3 . . 3.920 2.601 2.090 2.820 . 0 0 "[ . 1 . 2]" 1
629 1 28 ARG HB2 1 29 GLY H . . 4.530 4.061 3.784 4.346 . 0 0 "[ . 1 . 2]" 1
630 1 28 ARG HB3 1 28 ARG HD2 . . 3.920 3.649 3.558 3.934 0.014 18 0 "[ . 1 . 2]" 1
631 1 28 ARG HB3 1 28 ARG HD3 . . 3.920 3.631 2.669 3.879 . 0 0 "[ . 1 . 2]" 1
632 1 28 ARG HB3 1 29 GLY H . . 4.530 4.360 3.710 4.536 0.006 13 0 "[ . 1 . 2]" 1
633 1 28 ARG QD 1 29 GLY H . . 4.470 2.642 2.105 4.397 . 0 0 "[ . 1 . 2]" 1
634 1 28 ARG HD2 1 29 GLY H . . 5.090 2.699 2.114 4.808 . 0 0 "[ . 1 . 2]" 1
635 1 28 ARG HD3 1 29 GLY H . . 5.090 4.244 3.811 5.092 0.002 18 0 "[ . 1 . 2]" 1
636 1 28 ARG QG 1 29 GLY H . . 3.720 3.233 1.992 3.682 . 0 0 "[ . 1 . 2]" 1
637 1 28 ARG QG 1 29 GLY HA2 . . 4.090 3.798 3.288 4.004 . 0 0 "[ . 1 . 2]" 1
638 1 28 ARG QG 1 29 GLY HA3 . . 4.140 3.433 3.230 3.817 . 0 0 "[ . 1 . 2]" 1
639 1 29 GLY H 1 30 ALA H . . 3.440 2.623 1.904 3.044 . 0 0 "[ . 1 . 2]" 1
640 1 29 GLY H 1 30 ALA MB . . 4.760 4.065 3.677 4.443 . 0 0 "[ . 1 . 2]" 1
641 1 29 GLY HA3 1 30 ALA MB . . 4.670 4.587 4.441 4.671 0.001 13 0 "[ . 1 . 2]" 1
642 1 30 ALA H 1 30 ALA MB . . 2.890 2.169 2.030 2.496 . 0 0 "[ . 1 . 2]" 1
643 1 30 ALA H 1 32 ILE MD . . 5.500 5.135 4.285 5.501 0.001 6 0 "[ . 1 . 2]" 1
644 1 30 ALA HA 1 31 LEU H . . 2.800 2.347 2.141 2.510 . 0 0 "[ . 1 . 2]" 1
645 1 30 ALA HA 1 31 LEU HA . . 4.630 4.447 4.364 4.503 . 0 0 "[ . 1 . 2]" 1
646 1 30 ALA HA 1 31 LEU HB2 . . 4.980 4.909 4.767 5.027 0.047 16 0 "[ . 1 . 2]" 1
647 1 30 ALA HA 1 31 LEU HB3 . . 5.500 5.551 5.513 5.603 0.103 20 0 "[ . 1 . 2]" 1
648 1 30 ALA HA 1 31 LEU MD1 . . 4.770 3.992 2.831 4.568 . 0 0 "[ . 1 . 2]" 1
649 1 30 ALA HA 1 31 LEU QD . . 4.000 3.297 2.504 3.724 . 0 0 "[ . 1 . 2]" 1
650 1 30 ALA HA 1 31 LEU MD2 . . 4.770 3.532 2.703 4.030 . 0 0 "[ . 1 . 2]" 1
651 1 30 ALA HA 1 31 LEU HG . . 5.500 3.765 3.029 5.382 . 0 0 "[ . 1 . 2]" 1
652 1 30 ALA HA 1 47 TYR QE . . 4.180 3.602 2.799 4.165 . 0 0 "[ . 1 . 2]" 1
653 1 30 ALA MB 1 31 LEU H . . 3.290 2.630 2.205 3.283 . 0 0 "[ . 1 . 2]" 1
654 1 30 ALA MB 1 31 LEU HA . . 4.430 4.005 3.827 4.337 . 0 0 "[ . 1 . 2]" 1
655 1 30 ALA MB 1 32 ILE MD . . 3.500 3.079 2.790 3.357 . 0 0 "[ . 1 . 2]" 1
656 1 30 ALA MB 1 32 ILE HG12 . . 5.060 4.928 4.534 5.064 0.004 12 0 "[ . 1 . 2]" 1
657 1 30 ALA MB 1 32 ILE HG13 . . 4.210 3.985 3.726 4.124 . 0 0 "[ . 1 . 2]" 1
658 1 30 ALA MB 1 47 TYR QD . . 4.270 3.669 3.183 4.178 . 0 0 "[ . 1 . 2]" 1
659 1 30 ALA MB 1 47 TYR QE . . 3.410 2.543 1.933 3.130 . 0 0 "[ . 1 . 2]" 1
660 1 31 LEU H 1 31 LEU HB2 . . 3.240 2.944 2.859 3.037 . 0 0 "[ . 1 . 2]" 1
661 1 31 LEU H 1 31 LEU HB3 . . 4.020 3.804 3.591 3.912 . 0 0 "[ . 1 . 2]" 1
662 1 31 LEU H 1 31 LEU MD1 . . 4.130 3.397 2.136 4.006 . 0 0 "[ . 1 . 2]" 1
663 1 31 LEU H 1 31 LEU QD . . 3.520 2.875 1.716 3.457 . 0 0 "[ . 1 . 2]" 1
664 1 31 LEU H 1 31 LEU MD2 . . 4.130 3.121 1.781 3.792 . 0 0 "[ . 1 . 2]" 1
665 1 31 LEU H 1 31 LEU HG . . 3.590 2.943 2.412 3.677 0.087 16 0 "[ . 1 . 2]" 1
666 1 31 LEU H 1 47 TYR QD . . 4.700 3.850 3.247 4.679 . 0 0 "[ . 1 . 2]" 1
667 1 31 LEU H 1 47 TYR QE . . 3.860 2.981 2.444 3.843 . 0 0 "[ . 1 . 2]" 1
668 1 31 LEU HA 1 31 LEU MD1 . . 4.010 3.441 2.056 4.019 0.009 2 0 "[ . 1 . 2]" 1
669 1 31 LEU HA 1 31 LEU QD . . 2.720 2.329 2.044 2.594 . 0 0 "[ . 1 . 2]" 1
670 1 31 LEU HA 1 31 LEU MD2 . . 4.010 2.796 2.284 3.641 . 0 0 "[ . 1 . 2]" 1
671 1 31 LEU HA 1 31 LEU HG . . 4.040 3.439 3.196 3.848 . 0 0 "[ . 1 . 2]" 1
672 1 31 LEU HA 1 32 ILE H . . 3.000 2.224 2.161 2.297 . 0 0 "[ . 1 . 2]" 1
673 1 31 LEU HA 1 32 ILE HB . . 4.710 4.625 4.576 4.688 . 0 0 "[ . 1 . 2]" 1
674 1 31 LEU HA 1 32 ILE MD . . 4.190 2.639 2.484 2.860 . 0 0 "[ . 1 . 2]" 1
675 1 31 LEU HA 1 32 ILE HG12 . . 5.500 5.457 5.378 5.513 0.013 14 0 "[ . 1 . 2]" 1
676 1 31 LEU HA 1 32 ILE HG13 . . 4.720 4.322 4.140 4.485 . 0 0 "[ . 1 . 2]" 1
677 1 31 LEU HB2 1 31 LEU QD . . 3.050 2.130 2.005 2.244 . 0 0 "[ . 1 . 2]" 1
678 1 31 LEU HB2 1 32 ILE H . . 4.150 3.674 3.424 3.829 . 0 0 "[ . 1 . 2]" 1
679 1 31 LEU HB2 1 33 HIS HE1 . . 4.180 3.182 2.286 3.822 . 0 0 "[ . 1 . 2]" 1
680 1 31 LEU HB3 1 32 ILE H . . 3.560 3.015 2.845 3.306 . 0 0 "[ . 1 . 2]" 1
681 1 31 LEU HB3 1 33 HIS HE1 . . 3.850 3.489 2.929 3.841 . 0 0 "[ . 1 . 2]" 1
682 1 31 LEU QD 1 32 ILE H . . 3.850 3.841 3.669 3.879 0.029 18 0 "[ . 1 . 2]" 1
683 1 31 LEU QD 1 33 HIS HE1 . . 4.220 3.205 2.476 3.967 . 0 0 "[ . 1 . 2]" 1
684 1 31 LEU QD 1 47 TYR QE . . 5.440 4.610 3.610 5.438 . 0 0 "[ . 1 . 2]" 1
685 1 31 LEU MD1 1 32 ILE H . . 4.970 4.681 4.027 4.975 0.005 12 0 "[ . 1 . 2]" 1
686 1 31 LEU MD1 1 33 HIS HE1 . . 5.110 3.624 2.491 5.099 . 0 0 "[ . 1 . 2]" 1
687 1 31 LEU MD2 1 32 ILE H . . 4.970 4.255 3.785 4.931 . 0 0 "[ . 1 . 2]" 1
688 1 31 LEU MD2 1 33 HIS HE1 . . 5.110 4.489 3.364 5.060 . 0 0 "[ . 1 . 2]" 1
689 1 32 ILE H 1 32 ILE HB . . 3.650 2.723 2.680 2.764 . 0 0 "[ . 1 . 2]" 1
690 1 32 ILE H 1 32 ILE MD . . 3.810 2.273 2.112 2.546 . 0 0 "[ . 1 . 2]" 1
691 1 32 ILE H 1 32 ILE HG12 . . 4.510 4.353 4.229 4.418 . 0 0 "[ . 1 . 2]" 1
692 1 32 ILE H 1 32 ILE HG13 . . 3.940 3.506 3.357 3.637 . 0 0 "[ . 1 . 2]" 1
693 1 32 ILE H 1 32 ILE MG . . 4.040 3.884 3.869 3.905 . 0 0 "[ . 1 . 2]" 1
694 1 32 ILE H 1 33 HIS H . . 4.610 4.249 4.180 4.332 . 0 0 "[ . 1 . 2]" 1
695 1 32 ILE HA 1 32 ILE MD . . 3.890 3.364 3.270 3.441 . 0 0 "[ . 1 . 2]" 1
696 1 32 ILE HA 1 32 ILE HG12 . . 3.710 3.555 3.526 3.613 . 0 0 "[ . 1 . 2]" 1
697 1 32 ILE HA 1 32 ILE HG13 . . 3.720 2.400 2.360 2.449 . 0 0 "[ . 1 . 2]" 1
698 1 32 ILE HA 1 32 ILE MG . . 3.190 2.363 2.250 2.446 . 0 0 "[ . 1 . 2]" 1
699 1 32 ILE HA 1 33 HIS H . . 3.010 2.142 2.139 2.158 . 0 0 "[ . 1 . 2]" 1
700 1 32 ILE HA 1 33 HIS HA . . 4.410 4.391 4.382 4.403 . 0 0 "[ . 1 . 2]" 1
701 1 32 ILE HA 1 33 HIS HD2 . . 5.500 5.239 4.758 5.503 0.003 10 0 "[ . 1 . 2]" 1
702 1 32 ILE HA 1 35 VAL MG2 . . 5.260 4.459 4.231 4.661 . 0 0 "[ . 1 . 2]" 1
703 1 32 ILE HA 1 46 ASP H . . 4.680 4.490 3.890 4.672 . 0 0 "[ . 1 . 2]" 1
704 1 32 ILE HA 1 47 TYR QB . . 4.030 3.239 2.583 3.646 . 0 0 "[ . 1 . 2]" 1
705 1 32 ILE HA 1 47 TYR QD . . 4.100 3.377 3.083 3.646 . 0 0 "[ . 1 . 2]" 1
706 1 32 ILE HA 1 47 TYR QE . . 5.500 5.315 4.881 5.502 0.002 15 0 "[ . 1 . 2]" 1
707 1 32 ILE HB 1 32 ILE MD . . 3.050 2.228 2.113 2.299 . 0 0 "[ . 1 . 2]" 1
708 1 32 ILE HB 1 33 HIS H . . 4.570 4.226 4.106 4.289 . 0 0 "[ . 1 . 2]" 1
709 1 32 ILE HB 1 35 VAL MG2 . . 4.240 2.811 2.550 3.068 . 0 0 "[ . 1 . 2]" 1
710 1 32 ILE HB 1 45 GLY HA3 . . 4.780 4.259 3.989 4.492 . 0 0 "[ . 1 . 2]" 1
711 1 32 ILE HB 1 55 PHE QE . . 4.950 3.972 3.434 4.276 . 0 0 "[ . 1 . 2]" 1
712 1 32 ILE HB 1 55 PHE HZ . . 5.150 3.998 3.680 4.353 . 0 0 "[ . 1 . 2]" 1
713 1 32 ILE HB 1 60 VAL MG1 . . 4.730 4.383 3.657 4.681 . 0 0 "[ . 1 . 2]" 1
714 1 32 ILE MD 1 32 ILE MG . . 3.190 3.155 3.123 3.194 0.004 17 0 "[ . 1 . 2]" 1
715 1 32 ILE MD 1 33 HIS H . . 5.350 5.007 4.940 5.055 . 0 0 "[ . 1 . 2]" 1
716 1 32 ILE MD 1 35 VAL MG2 . . 4.290 4.000 3.685 4.269 . 0 0 "[ . 1 . 2]" 1
717 1 32 ILE MD 1 47 TYR QB . . 4.080 3.823 3.566 4.081 0.001 8 0 "[ . 1 . 2]" 1
718 1 32 ILE MD 1 47 TYR QD . . 4.420 4.081 3.668 4.327 . 0 0 "[ . 1 . 2]" 1
719 1 32 ILE MD 1 47 TYR QE . . 4.910 4.703 4.326 4.911 0.001 12 0 "[ . 1 . 2]" 1
720 1 32 ILE MD 1 55 PHE QB . . 5.340 4.337 3.957 4.824 . 0 0 "[ . 1 . 2]" 1
721 1 32 ILE MD 1 55 PHE QD . . 3.940 3.848 3.417 3.949 0.009 20 0 "[ . 1 . 2]" 1
722 1 32 ILE MD 1 60 VAL HB . . 4.570 3.512 3.326 3.868 . 0 0 "[ . 1 . 2]" 1
723 1 32 ILE MD 1 60 VAL MG1 . . 3.000 2.424 2.147 2.819 . 0 0 "[ . 1 . 2]" 1
724 1 32 ILE MD 1 60 VAL MG2 . . 4.050 3.632 3.262 4.016 . 0 0 "[ . 1 . 2]" 1
725 1 32 ILE HG12 1 32 ILE MG . . 3.300 2.142 2.007 2.263 . 0 0 "[ . 1 . 2]" 1
726 1 32 ILE HG12 1 33 HIS H . . 5.500 5.308 5.140 5.447 . 0 0 "[ . 1 . 2]" 1
727 1 32 ILE HG12 1 47 TYR HB2 . . 4.650 3.081 2.796 3.533 . 0 0 "[ . 1 . 2]" 1
728 1 32 ILE HG12 1 47 TYR QB . . 3.960 3.003 2.763 3.399 . 0 0 "[ . 1 . 2]" 1
729 1 32 ILE HG12 1 47 TYR HB3 . . 4.650 4.210 3.785 4.632 . 0 0 "[ . 1 . 2]" 1
730 1 32 ILE HG12 1 47 TYR QD . . 4.680 4.406 4.146 4.646 . 0 0 "[ . 1 . 2]" 1
731 1 32 ILE HG13 1 32 ILE MG . . 3.280 2.636 2.549 2.716 . 0 0 "[ . 1 . 2]" 1
732 1 32 ILE HG13 1 33 HIS H . . 4.540 4.466 4.415 4.551 0.011 18 0 "[ . 1 . 2]" 1
733 1 32 ILE HG13 1 47 TYR HB2 . . 4.820 2.422 2.006 2.789 . 0 0 "[ . 1 . 2]" 1
734 1 32 ILE HG13 1 47 TYR QB . . 4.120 2.401 1.990 2.760 . 0 0 "[ . 1 . 2]" 1
735 1 32 ILE HG13 1 47 TYR HB3 . . 4.820 3.946 3.314 4.403 . 0 0 "[ . 1 . 2]" 1
736 1 32 ILE HG13 1 47 TYR QD . . 4.540 3.099 2.717 3.637 . 0 0 "[ . 1 . 2]" 1
737 1 32 ILE MG 1 33 HIS H . . 3.340 2.656 2.432 2.864 . 0 0 "[ . 1 . 2]" 1
738 1 32 ILE MG 1 34 ASN H . . 5.120 4.991 4.875 5.088 . 0 0 "[ . 1 . 2]" 1
739 1 32 ILE MG 1 35 VAL MG1 . . 4.520 4.076 3.823 4.275 . 0 0 "[ . 1 . 2]" 1
740 1 32 ILE MG 1 35 VAL MG2 . . 3.020 2.445 2.083 2.739 . 0 0 "[ . 1 . 2]" 1
741 1 32 ILE MG 1 45 GLY HA2 . . 3.520 3.290 3.110 3.521 0.001 2 0 "[ . 1 . 2]" 1
742 1 32 ILE MG 1 45 GLY HA3 . . 3.340 2.020 1.864 2.168 . 0 0 "[ . 1 . 2]" 1
743 1 32 ILE MG 1 46 ASP H . . 3.440 2.416 1.964 2.837 . 0 0 "[ . 1 . 2]" 1
744 1 32 ILE MG 1 47 TYR H . . 4.570 3.980 3.559 4.448 . 0 0 "[ . 1 . 2]" 1
745 1 32 ILE MG 1 47 TYR HB2 . . 4.050 2.724 2.320 3.018 . 0 0 "[ . 1 . 2]" 1
746 1 32 ILE MG 1 47 TYR QB . . 3.520 2.666 2.298 2.920 . 0 0 "[ . 1 . 2]" 1
747 1 32 ILE MG 1 47 TYR HB3 . . 4.050 3.825 3.221 4.050 0.000 7 0 "[ . 1 . 2]" 1
748 1 32 ILE MG 1 47 TYR QD . . 4.470 4.215 3.923 4.464 . 0 0 "[ . 1 . 2]" 1
749 1 32 ILE MG 1 55 PHE QE . . 3.490 3.027 2.201 3.464 . 0 0 "[ . 1 . 2]" 1
750 1 32 ILE MG 1 55 PHE HZ . . 4.180 3.452 3.165 3.830 . 0 0 "[ . 1 . 2]" 1
751 1 33 HIS H 1 33 HIS HB2 . . 3.880 2.654 2.529 2.783 . 0 0 "[ . 1 . 2]" 1
752 1 33 HIS H 1 33 HIS QB . . 3.300 2.595 2.485 2.703 . 0 0 "[ . 1 . 2]" 1
753 1 33 HIS H 1 33 HIS HB3 . . 3.880 3.672 3.655 3.708 . 0 0 "[ . 1 . 2]" 1
754 1 33 HIS H 1 33 HIS HD2 . . 4.130 3.737 3.310 3.954 . 0 0 "[ . 1 . 2]" 1
755 1 33 HIS H 1 34 ASN H . . 4.590 4.546 4.470 4.582 . 0 0 "[ . 1 . 2]" 1
756 1 33 HIS H 1 35 VAL MG2 . . 5.190 4.254 4.016 4.476 . 0 0 "[ . 1 . 2]" 1
757 1 33 HIS H 1 46 ASP H . . 3.890 3.619 3.350 3.823 . 0 0 "[ . 1 . 2]" 1
758 1 33 HIS H 1 46 ASP QB . . 5.020 4.733 3.984 5.021 0.001 11 0 "[ . 1 . 2]" 1
759 1 33 HIS HA 1 34 ASN H . . 3.160 2.462 2.349 2.598 . 0 0 "[ . 1 . 2]" 1
760 1 33 HIS HA 1 34 ASN HA . . 4.770 4.549 4.495 4.597 . 0 0 "[ . 1 . 2]" 1
761 1 33 HIS HA 1 35 VAL H . . 4.500 3.672 3.470 3.897 . 0 0 "[ . 1 . 2]" 1
762 1 33 HIS HA 1 35 VAL MG2 . . 4.040 3.246 2.977 3.486 . 0 0 "[ . 1 . 2]" 1
763 1 33 HIS QB 1 34 ASN H . . 3.290 2.346 2.118 2.591 . 0 0 "[ . 1 . 2]" 1
764 1 33 HIS HB2 1 34 ASN H . . 3.840 3.316 3.054 3.548 . 0 0 "[ . 1 . 2]" 1
765 1 33 HIS HB3 1 34 ASN H . . 3.840 2.401 2.160 2.680 . 0 0 "[ . 1 . 2]" 1
766 1 34 ASN H 1 34 ASN QB . . 3.820 3.188 2.801 3.436 . 0 0 "[ . 1 . 2]" 1
767 1 34 ASN H 1 35 VAL H . . 3.500 2.795 2.643 2.991 . 0 0 "[ . 1 . 2]" 1
768 1 34 ASN H 1 35 VAL MG2 . . 4.110 3.956 3.703 4.110 . 0 0 "[ . 1 . 2]" 1
769 1 34 ASN HA 1 35 VAL H . . 3.490 2.711 2.624 2.824 . 0 0 "[ . 1 . 2]" 1
770 1 34 ASN HA 1 35 VAL HB . . 5.390 5.071 4.964 5.183 . 0 0 "[ . 1 . 2]" 1
771 1 34 ASN HA 1 35 VAL MG2 . . 5.500 4.545 4.350 4.781 . 0 0 "[ . 1 . 2]" 1
772 1 34 ASN QB 1 34 ASN QD . . 3.030 2.159 2.064 2.364 . 0 0 "[ . 1 . 2]" 1
773 1 34 ASN QB 1 34 ASN HD22 . . 3.590 3.246 3.213 3.360 . 0 0 "[ . 1 . 2]" 1
774 1 34 ASN QB 1 35 VAL H . . 4.330 3.896 3.841 3.973 . 0 0 "[ . 1 . 2]" 1
775 1 34 ASN QB 1 46 ASP H . . 4.540 2.988 2.495 3.667 . 0 0 "[ . 1 . 2]" 1
776 1 34 ASN QB 1 52 GLN HE21 . . 3.680 3.306 2.310 3.680 . 7 0 "[ . 1 . 2]" 1
777 1 34 ASN QB 1 52 GLN HE22 . . 3.750 2.726 1.980 3.384 . 0 0 "[ . 1 . 2]" 1
778 1 35 VAL H 1 35 VAL HB . . 3.410 2.455 2.344 2.568 . 0 0 "[ . 1 . 2]" 1
779 1 35 VAL H 1 35 VAL MG1 . . 3.870 3.759 3.713 3.790 . 0 0 "[ . 1 . 2]" 1
780 1 35 VAL H 1 35 VAL MG2 . . 3.050 2.453 2.281 2.658 . 0 0 "[ . 1 . 2]" 1
781 1 35 VAL HA 1 35 VAL MG1 . . 3.310 2.434 2.345 2.499 . 0 0 "[ . 1 . 2]" 1
782 1 35 VAL HA 1 35 VAL MG2 . . 3.190 2.313 2.147 2.425 . 0 0 "[ . 1 . 2]" 1
783 1 35 VAL HA 1 36 SER H . . 2.930 2.157 2.139 2.256 . 0 0 "[ . 1 . 2]" 1
784 1 35 VAL HA 1 45 GLY HA2 . . 3.900 2.991 2.706 3.295 . 0 0 "[ . 1 . 2]" 1
785 1 35 VAL HA 1 45 GLY HA3 . . 3.990 3.112 2.923 3.373 . 0 0 "[ . 1 . 2]" 1
786 1 35 VAL HB 1 36 SER H . . 4.380 4.219 4.011 4.374 . 0 0 "[ . 1 . 2]" 1
787 1 35 VAL HB 1 55 PHE HZ . . 5.280 4.476 4.043 4.868 . 0 0 "[ . 1 . 2]" 1
788 1 35 VAL MG1 1 36 SER H . . 3.310 2.553 1.878 2.806 . 0 0 "[ . 1 . 2]" 1
789 1 35 VAL MG1 1 36 SER HA . . 4.180 3.783 3.538 4.165 . 0 0 "[ . 1 . 2]" 1
790 1 35 VAL MG1 1 36 SER HB2 . . 5.150 4.346 3.747 4.654 . 0 0 "[ . 1 . 2]" 1
791 1 35 VAL MG1 1 36 SER QB . . 4.340 4.044 3.614 4.282 . 0 0 "[ . 1 . 2]" 1
792 1 35 VAL MG1 1 36 SER HB3 . . 5.150 4.887 4.113 5.151 0.001 19 0 "[ . 1 . 2]" 1
793 1 35 VAL MG1 1 37 LYS H . . 4.430 2.885 1.873 3.728 . 0 0 "[ . 1 . 2]" 1
794 1 35 VAL MG1 1 37 LYS HA . . 4.050 3.279 2.762 3.714 . 0 0 "[ . 1 . 2]" 1
795 1 35 VAL MG1 1 37 LYS QE . . 4.300 3.850 2.873 4.301 0.001 20 0 "[ . 1 . 2]" 1
796 1 35 VAL MG1 1 37 LYS HG2 . . 3.820 2.916 1.852 3.716 . 0 0 "[ . 1 . 2]" 1
797 1 35 VAL MG1 1 37 LYS QG . . 3.260 2.564 1.841 3.214 . 0 0 "[ . 1 . 2]" 1
798 1 35 VAL MG1 1 37 LYS HG3 . . 3.820 3.137 1.964 3.729 . 0 0 "[ . 1 . 2]" 1
799 1 35 VAL MG1 1 43 TRP HB2 . . 3.610 2.899 2.413 3.250 . 0 0 "[ . 1 . 2]" 1
800 1 35 VAL MG1 1 43 TRP QB . . 3.130 2.205 1.809 2.563 . 0 0 "[ . 1 . 2]" 1
801 1 35 VAL MG1 1 43 TRP HB3 . . 3.610 2.301 1.868 2.786 . 0 0 "[ . 1 . 2]" 1
802 1 35 VAL MG1 1 43 TRP HE3 . . 3.140 2.219 1.856 2.578 . 0 0 "[ . 1 . 2]" 1
803 1 35 VAL MG1 1 43 TRP HZ3 . . 3.850 3.465 3.022 3.853 0.003 12 0 "[ . 1 . 2]" 1
804 1 35 VAL MG1 1 44 LYS H . . 3.940 3.626 3.217 3.926 . 0 0 "[ . 1 . 2]" 1
805 1 35 VAL MG1 1 45 GLY HA2 . . 5.070 4.737 4.370 4.990 . 0 0 "[ . 1 . 2]" 1
806 1 35 VAL MG1 1 45 GLY HA3 . . 5.170 4.272 3.931 4.518 . 0 0 "[ . 1 . 2]" 1
807 1 35 VAL MG1 1 55 PHE QE . . 4.020 3.016 2.296 3.319 . 0 0 "[ . 1 . 2]" 1
808 1 35 VAL MG1 1 55 PHE HZ . . 4.340 2.083 1.943 2.431 . 0 0 "[ . 1 . 2]" 1
809 1 35 VAL MG2 1 36 SER H . . 4.310 3.977 3.626 4.124 . 0 0 "[ . 1 . 2]" 1
810 1 35 VAL MG2 1 43 TRP HE3 . . 5.000 3.700 3.372 4.143 . 0 0 "[ . 1 . 2]" 1
811 1 35 VAL MG2 1 44 LYS H . . 5.360 5.244 4.893 5.374 0.014 7 0 "[ . 1 . 2]" 1
812 1 35 VAL MG2 1 45 GLY HA2 . . 3.870 3.748 3.364 3.873 0.003 15 0 "[ . 1 . 2]" 1
813 1 35 VAL MG2 1 45 GLY HA3 . . 3.700 3.012 2.762 3.289 . 0 0 "[ . 1 . 2]" 1
814 1 35 VAL MG2 1 46 ASP H . . 4.380 4.177 3.850 4.375 . 0 0 "[ . 1 . 2]" 1
815 1 35 VAL MG2 1 55 PHE QE . . 3.470 3.104 2.248 3.458 . 0 0 "[ . 1 . 2]" 1
816 1 35 VAL MG2 1 55 PHE HZ . . 3.370 2.275 1.970 2.650 . 0 0 "[ . 1 . 2]" 1
817 1 36 SER H 1 36 SER HB2 . . 3.700 2.370 2.185 2.551 . 0 0 "[ . 1 . 2]" 1
818 1 36 SER H 1 36 SER HB3 . . 3.700 3.474 2.767 3.699 . 0 0 "[ . 1 . 2]" 1
819 1 36 SER H 1 44 LYS H . . 4.050 2.657 2.201 3.139 . 0 0 "[ . 1 . 2]" 1
820 1 36 SER H 1 45 GLY HA2 . . 4.710 4.041 3.611 4.365 . 0 0 "[ . 1 . 2]" 1
821 1 36 SER H 1 45 GLY HA3 . . 4.660 4.524 4.271 4.670 0.010 11 0 "[ . 1 . 2]" 1
822 1 36 SER HA 1 37 LYS HB2 . . 4.920 4.371 4.192 4.652 . 0 0 "[ . 1 . 2]" 1
823 1 36 SER HA 1 37 LYS QG . . 5.180 4.474 4.025 4.930 . 0 0 "[ . 1 . 2]" 1
824 1 36 SER QB 1 37 LYS H . . 3.990 3.564 2.568 3.955 . 0 0 "[ . 1 . 2]" 1
825 1 36 SER QB 1 44 LYS QB . . 3.570 2.516 1.883 3.607 0.037 15 0 "[ . 1 . 2]" 1
826 1 36 SER QB 1 44 LYS QD . . 4.940 3.951 2.816 4.926 . 0 0 "[ . 1 . 2]" 1
827 1 36 SER QB 1 44 LYS QE . . 4.430 3.768 2.585 4.433 0.003 7 0 "[ . 1 . 2]" 1
828 1 36 SER HB2 1 37 LYS H . . 4.600 4.246 2.630 4.601 0.001 4 0 "[ . 1 . 2]" 1
829 1 36 SER HB2 1 38 GLU QG . . 4.660 3.851 2.597 4.658 . 0 0 "[ . 1 . 2]" 1
830 1 36 SER HB2 1 44 LYS H . . 4.530 2.687 1.972 3.371 . 0 0 "[ . 1 . 2]" 1
831 1 36 SER HB3 1 37 LYS H . . 4.600 3.902 2.739 4.311 . 0 0 "[ . 1 . 2]" 1
832 1 36 SER HB3 1 38 GLU QG . . 4.660 3.238 2.069 4.328 . 0 0 "[ . 1 . 2]" 1
833 1 36 SER HB3 1 44 LYS H . . 4.530 3.709 2.374 4.319 . 0 0 "[ . 1 . 2]" 1
834 1 37 LYS H 1 37 LYS HB2 . . 3.730 2.564 2.193 3.514 . 0 0 "[ . 1 . 2]" 1
835 1 37 LYS H 1 37 LYS HB3 . . 4.200 3.659 3.494 4.090 . 0 0 "[ . 1 . 2]" 1
836 1 37 LYS H 1 37 LYS HD2 . . 5.500 4.504 3.698 5.485 . 0 0 "[ . 1 . 2]" 1
837 1 37 LYS H 1 37 LYS HD3 . . 5.500 4.832 4.173 5.454 . 0 0 "[ . 1 . 2]" 1
838 1 37 LYS H 1 37 LYS HG2 . . 4.360 3.265 1.979 3.906 . 0 0 "[ . 1 . 2]" 1
839 1 37 LYS H 1 37 LYS QG . . 3.590 2.621 1.960 3.052 . 0 0 "[ . 1 . 2]" 1
840 1 37 LYS H 1 37 LYS HG3 . . 4.360 3.053 2.245 4.367 0.007 18 0 "[ . 1 . 2]" 1
841 1 37 LYS HA 1 37 LYS HD2 . . 5.370 4.061 2.068 4.772 . 0 0 "[ . 1 . 2]" 1
842 1 37 LYS HA 1 37 LYS QD . . 4.550 3.421 2.054 3.976 . 0 0 "[ . 1 . 2]" 1
843 1 37 LYS HA 1 37 LYS HD3 . . 5.370 3.888 2.498 4.399 . 0 0 "[ . 1 . 2]" 1
844 1 37 LYS HA 1 37 LYS HG2 . . 4.140 2.390 2.162 2.866 . 0 0 "[ . 1 . 2]" 1
845 1 37 LYS HA 1 37 LYS QG . . 3.600 2.332 2.126 2.782 . 0 0 "[ . 1 . 2]" 1
846 1 37 LYS HA 1 37 LYS HG3 . . 4.140 3.278 2.757 3.824 . 0 0 "[ . 1 . 2]" 1
847 1 37 LYS HA 1 38 GLU H . . 3.290 2.393 2.150 2.879 . 0 0 "[ . 1 . 2]" 1
848 1 37 LYS HA 1 38 GLU QB . . 5.350 4.418 4.181 4.977 . 0 0 "[ . 1 . 2]" 1
849 1 37 LYS HA 1 38 GLU QG . . 5.500 4.538 3.865 5.426 . 0 0 "[ . 1 . 2]" 1
850 1 37 LYS HA 1 43 TRP HD1 . . 4.230 3.220 2.939 3.643 . 0 0 "[ . 1 . 2]" 1
851 1 37 LYS HA 1 43 TRP HE1 . . 4.780 3.191 2.476 3.637 . 0 0 "[ . 1 . 2]" 1
852 1 37 LYS HB2 1 38 GLU H . . 4.690 4.471 4.181 4.596 . 0 0 "[ . 1 . 2]" 1
853 1 37 LYS HB2 1 43 TRP HE1 . . 5.500 5.437 5.084 5.504 0.004 15 0 "[ . 1 . 2]" 1
854 1 37 LYS HB3 1 38 GLU H . . 4.470 4.094 3.337 4.429 . 0 0 "[ . 1 . 2]" 1
855 1 37 LYS HB3 1 43 TRP HE1 . . 4.600 4.097 3.903 4.423 . 0 0 "[ . 1 . 2]" 1
856 1 37 LYS QD 1 43 TRP HE1 . . 5.000 4.556 3.662 5.002 0.002 20 0 "[ . 1 . 2]" 1
857 1 37 LYS QD 1 43 TRP HH2 . . 4.910 3.690 2.264 4.490 . 0 0 "[ . 1 . 2]" 1
858 1 37 LYS QD 1 43 TRP HZ2 . . 4.200 3.433 2.803 3.924 . 0 0 "[ . 1 . 2]" 1
859 1 37 LYS QE 1 37 LYS QG . . 3.140 2.160 2.038 2.538 . 0 0 "[ . 1 . 2]" 1
860 1 37 LYS QE 1 43 TRP HH2 . . 4.120 2.493 1.997 3.968 . 0 0 "[ . 1 . 2]" 1
861 1 37 LYS QE 1 43 TRP HZ2 . . 4.900 3.446 2.772 4.915 0.015 11 0 "[ . 1 . 2]" 1
862 1 37 LYS HE2 1 43 TRP HH2 . . 4.830 2.883 2.010 4.217 . 0 0 "[ . 1 . 2]" 1
863 1 37 LYS HE2 1 43 TRP HZ3 . . 4.800 3.817 2.606 4.812 0.012 11 0 "[ . 1 . 2]" 1
864 1 37 LYS HE3 1 43 TRP HH2 . . 4.830 3.523 2.104 4.832 0.002 11 0 "[ . 1 . 2]" 1
865 1 37 LYS HE3 1 43 TRP HZ3 . . 4.800 4.015 3.051 4.793 . 0 0 "[ . 1 . 2]" 1
866 1 37 LYS QG 1 43 TRP HE3 . . 4.820 3.930 2.994 4.566 . 0 0 "[ . 1 . 2]" 1
867 1 37 LYS QG 1 43 TRP HH2 . . 5.340 3.928 3.194 5.169 . 0 0 "[ . 1 . 2]" 1
868 1 37 LYS HG2 1 43 TRP HE3 . . 5.500 4.105 3.101 4.878 . 0 0 "[ . 1 . 2]" 1
869 1 37 LYS HG3 1 43 TRP HE3 . . 5.500 5.092 3.950 5.505 0.005 3 0 "[ . 1 . 2]" 1
870 1 38 GLU H 1 38 GLU QB . . 3.370 2.344 2.161 2.710 . 0 0 "[ . 1 . 2]" 1
871 1 38 GLU H 1 38 GLU QG . . 3.700 2.578 1.920 3.471 . 0 0 "[ . 1 . 2]" 1
872 1 38 GLU H 1 43 TRP HA . . 3.970 3.125 2.711 3.577 . 0 0 "[ . 1 . 2]" 1
873 1 38 GLU H 1 43 TRP HD1 . . 3.400 2.086 1.907 2.544 . 0 0 "[ . 1 . 2]" 1
874 1 38 GLU H 1 43 TRP HE1 . . 4.110 3.256 2.564 4.105 . 0 0 "[ . 1 . 2]" 1
875 1 38 GLU HA 1 38 GLU QG . . 3.480 2.608 2.149 3.442 . 0 0 "[ . 1 . 2]" 1
876 1 38 GLU HA 1 39 PRO HD2 . . 3.260 2.435 2.294 2.527 . 0 0 "[ . 1 . 2]" 1
877 1 38 GLU HA 1 39 PRO QD . . 2.760 2.111 2.031 2.166 . 0 0 "[ . 1 . 2]" 1
878 1 38 GLU HA 1 39 PRO HD3 . . 3.260 2.315 2.265 2.356 . 0 0 "[ . 1 . 2]" 1
879 1 38 GLU QB 1 39 PRO HD2 . . 3.490 2.020 1.988 2.171 . 0 0 "[ . 1 . 2]" 1
880 1 38 GLU QB 1 39 PRO QD . . 3.050 2.005 1.974 2.150 . 0 0 "[ . 1 . 2]" 1
881 1 38 GLU QB 1 39 PRO HD3 . . 3.490 3.383 3.357 3.463 . 0 0 "[ . 1 . 2]" 1
882 1 38 GLU QB 1 43 TRP HA . . 4.580 3.277 2.692 4.430 . 0 0 "[ . 1 . 2]" 1
883 1 38 GLU QB 1 43 TRP HD1 . . 4.510 2.372 1.987 3.955 . 0 0 "[ . 1 . 2]" 1
884 1 38 GLU QB 1 43 TRP HE1 . . 5.340 3.801 3.226 5.133 . 0 0 "[ . 1 . 2]" 1
885 1 38 GLU QG 1 39 PRO HD2 . . 5.190 3.360 2.483 4.208 . 0 0 "[ . 1 . 2]" 1
886 1 38 GLU QG 1 39 PRO QD . . 4.570 3.224 2.403 4.013 . 0 0 "[ . 1 . 2]" 1
887 1 38 GLU QG 1 39 PRO HD3 . . 5.190 4.166 3.206 5.060 . 0 0 "[ . 1 . 2]" 1
888 1 38 GLU QG 1 43 TRP HA . . 4.630 2.981 2.292 4.393 . 0 0 "[ . 1 . 2]" 1
889 1 38 GLU QG 1 43 TRP HD1 . . 4.670 3.273 2.013 4.113 . 0 0 "[ . 1 . 2]" 1
890 1 38 GLU QG 1 43 TRP HE1 . . 5.500 5.070 3.989 5.447 . 0 0 "[ . 1 . 2]" 1
891 1 38 GLU QG 1 44 LYS H . . 5.030 3.686 3.216 5.030 . 0 0 "[ . 1 . 2]" 1
892 1 38 GLU QG 1 44 LYS QD . . 5.140 4.853 4.096 5.141 0.001 14 0 "[ . 1 . 2]" 1
893 1 38 GLU QG 1 54 TYR QE . . 5.250 4.495 2.404 5.251 0.001 7 0 "[ . 1 . 2]" 1
894 1 41 GLY QA 1 42 TRP HD1 . . 4.440 3.396 2.735 3.906 . 0 0 "[ . 1 . 2]" 1
895 1 41 GLY QA 1 57 SER H . . 5.340 5.164 4.326 5.347 0.007 12 0 "[ . 1 . 2]" 1
896 1 42 TRP H 1 42 TRP HD1 . . 4.510 2.102 1.932 2.478 . 0 0 "[ . 1 . 2]" 1
897 1 42 TRP HA 1 56 PRO HA . . 5.140 3.335 2.539 4.076 . 0 0 "[ . 1 . 2]" 1
898 1 42 TRP HA 1 57 SER H . . 4.120 2.907 2.132 3.681 . 0 0 "[ . 1 . 2]" 1
899 1 42 TRP QB 1 54 TYR QD . . 3.690 2.560 1.820 3.557 . 0 0 "[ . 1 . 2]" 1
900 1 42 TRP QB 1 54 TYR QE . . 4.580 3.773 2.749 4.582 0.002 20 0 "[ . 1 . 2]" 1
901 1 42 TRP HE3 1 55 PHE H . . 4.800 3.508 2.184 4.798 . 0 0 "[ . 1 . 2]" 1
902 1 42 TRP HE3 1 56 PRO QB . . 5.340 3.904 2.618 4.861 . 0 0 "[ . 1 . 2]" 1
903 1 42 TRP HE3 1 56 PRO QD . . 5.310 3.273 2.533 3.969 . 0 0 "[ . 1 . 2]" 1
904 1 42 TRP HH2 1 56 PRO QD . . 5.350 4.126 3.074 4.968 . 0 0 "[ . 1 . 2]" 1
905 1 42 TRP HH2 1 56 PRO QG . . 5.350 4.446 3.594 5.183 . 0 0 "[ . 1 . 2]" 1
906 1 42 TRP HZ3 1 55 PHE HA . . 5.470 3.530 2.505 4.698 . 0 0 "[ . 1 . 2]" 1
907 1 42 TRP HZ3 1 56 PRO HD2 . . 5.490 4.060 3.545 4.481 . 0 0 "[ . 1 . 2]" 1
908 1 42 TRP HZ3 1 56 PRO QD . . 4.840 2.426 1.988 2.869 . 0 0 "[ . 1 . 2]" 1
909 1 42 TRP HZ3 1 56 PRO HD3 . . 5.490 2.446 1.998 2.903 . 0 0 "[ . 1 . 2]" 1
910 1 43 TRP HA 1 43 TRP HD1 . . 3.670 2.191 2.044 2.402 . 0 0 "[ . 1 . 2]" 1
911 1 43 TRP HA 1 43 TRP HE1 . . 5.020 4.697 4.520 4.907 . 0 0 "[ . 1 . 2]" 1
912 1 43 TRP QB 1 44 LYS H . . 3.570 2.350 2.056 2.748 . 0 0 "[ . 1 . 2]" 1
913 1 43 TRP QB 1 55 PHE QE . . 4.120 2.834 2.413 3.383 . 0 0 "[ . 1 . 2]" 1
914 1 43 TRP HB2 1 43 TRP HE3 . . 4.140 2.642 2.535 2.883 . 0 0 "[ . 1 . 2]" 1
915 1 43 TRP HB2 1 44 LYS H . . 4.110 3.579 3.175 3.969 . 0 0 "[ . 1 . 2]" 1
916 1 43 TRP HB2 1 55 PHE QE . . 4.760 3.013 2.557 3.547 . 0 0 "[ . 1 . 2]" 1
917 1 43 TRP HB3 1 43 TRP HE3 . . 4.140 3.295 3.009 3.443 . 0 0 "[ . 1 . 2]" 1
918 1 43 TRP HB3 1 44 LYS H . . 4.110 2.384 2.076 2.801 . 0 0 "[ . 1 . 2]" 1
919 1 43 TRP HB3 1 55 PHE QE . . 4.760 3.487 2.843 4.271 . 0 0 "[ . 1 . 2]" 1
920 1 43 TRP HD1 1 44 LYS H . . 5.000 4.279 3.974 4.611 . 0 0 "[ . 1 . 2]" 1
921 1 43 TRP HE1 1 57 SER QB . . 4.980 4.043 3.100 4.674 . 0 0 "[ . 1 . 2]" 1
922 1 43 TRP HE3 1 57 SER HA . . 4.540 3.730 3.276 4.098 . 0 0 "[ . 1 . 2]" 1
923 1 43 TRP HE3 1 57 SER QB . . 5.340 3.104 2.571 4.266 . 0 0 "[ . 1 . 2]" 1
924 1 43 TRP HE3 1 60 VAL MG2 . . 4.130 3.314 2.607 3.748 . 0 0 "[ . 1 . 2]" 1
925 1 43 TRP HH2 1 57 SER QB . . 5.170 3.470 2.896 4.243 . 0 0 "[ . 1 . 2]" 1
926 1 43 TRP HZ2 1 57 SER HB2 . . 5.130 3.970 2.881 4.894 . 0 0 "[ . 1 . 2]" 1
927 1 43 TRP HZ2 1 57 SER QB . . 4.460 3.660 2.826 4.332 . 0 0 "[ . 1 . 2]" 1
928 1 43 TRP HZ2 1 57 SER HB3 . . 5.130 4.444 3.761 5.129 . 0 0 "[ . 1 . 2]" 1
929 1 43 TRP HZ3 1 57 SER HA . . 4.520 4.257 3.916 4.523 0.003 12 0 "[ . 1 . 2]" 1
930 1 43 TRP HZ3 1 60 VAL MG2 . . 3.710 3.118 2.120 3.668 . 0 0 "[ . 1 . 2]" 1
931 1 44 LYS QB 1 44 LYS QE . . 4.430 2.551 1.929 3.667 . 0 0 "[ . 1 . 2]" 1
932 1 44 LYS QD 1 52 GLN HA . . 4.600 4.031 3.429 4.601 0.001 18 0 "[ . 1 . 2]" 1
933 1 44 LYS QD 1 52 GLN HB2 . . 5.110 4.363 3.618 5.104 . 0 0 "[ . 1 . 2]" 1
934 1 44 LYS QD 1 52 GLN HB3 . . 3.850 2.933 1.992 3.702 . 0 0 "[ . 1 . 2]" 1
935 1 44 LYS QD 1 54 TYR QE . . 4.330 3.557 1.928 4.321 . 0 0 "[ . 1 . 2]" 1
936 1 44 LYS QE 1 54 TYR QD . . 4.670 4.240 3.407 4.669 . 0 0 "[ . 1 . 2]" 1
937 1 44 LYS QE 1 54 TYR QE . . 4.350 2.973 1.993 3.842 . 0 0 "[ . 1 . 2]" 1
938 1 45 GLY H 1 52 GLN H . . 5.440 4.261 3.506 4.918 . 0 0 "[ . 1 . 2]" 1
939 1 45 GLY H 1 52 GLN HA . . 4.170 2.851 1.983 3.720 . 0 0 "[ . 1 . 2]" 1
940 1 45 GLY H 1 53 GLN H . . 3.720 3.064 2.482 3.659 . 0 0 "[ . 1 . 2]" 1
941 1 45 GLY H 1 55 PHE QD . . 4.340 3.118 2.001 4.331 . 0 0 "[ . 1 . 2]" 1
942 1 45 GLY H 1 55 PHE QE . . 4.970 2.857 2.190 3.570 . 0 0 "[ . 1 . 2]" 1
943 1 45 GLY HA2 1 46 ASP H . . 3.290 2.542 2.351 2.946 . 0 0 "[ . 1 . 2]" 1
944 1 45 GLY HA2 1 52 GLN HA . . 4.050 3.553 2.981 4.054 0.004 10 0 "[ . 1 . 2]" 1
945 1 45 GLY HA2 1 52 GLN HE21 . . 4.410 3.010 2.750 3.250 . 0 0 "[ . 1 . 2]" 1
946 1 45 GLY HA2 1 52 GLN HE22 . . 3.920 2.806 2.208 3.241 . 0 0 "[ . 1 . 2]" 1
947 1 45 GLY HA2 1 55 PHE QE . . 4.170 3.851 3.406 4.172 0.002 10 0 "[ . 1 . 2]" 1
948 1 45 GLY HA3 1 46 ASP H . . 3.330 2.590 2.246 2.798 . 0 0 "[ . 1 . 2]" 1
949 1 45 GLY HA3 1 52 GLN HA . . 4.800 4.423 3.966 4.717 . 0 0 "[ . 1 . 2]" 1
950 1 45 GLY HA3 1 52 GLN HE21 . . 4.510 4.421 4.042 4.515 0.005 7 0 "[ . 1 . 2]" 1
951 1 45 GLY HA3 1 52 GLN HE22 . . 4.910 4.503 3.918 4.885 . 0 0 "[ . 1 . 2]" 1
952 1 45 GLY HA3 1 55 PHE QE . . 3.940 2.761 2.033 3.269 . 0 0 "[ . 1 . 2]" 1
953 1 46 ASP H 1 46 ASP HB2 . . 4.030 3.500 2.799 3.820 . 0 0 "[ . 1 . 2]" 1
954 1 46 ASP H 1 46 ASP HB3 . . 4.030 3.185 2.465 3.904 . 0 0 "[ . 1 . 2]" 1
955 1 46 ASP H 1 47 TYR H . . 4.500 4.348 4.121 4.485 . 0 0 "[ . 1 . 2]" 1
956 1 46 ASP H 1 52 GLN H . . 5.500 4.028 3.673 4.492 . 0 0 "[ . 1 . 2]" 1
957 1 46 ASP H 1 52 GLN HE21 . . 5.380 3.677 2.982 4.380 . 0 0 "[ . 1 . 2]" 1
958 1 46 ASP HA 1 47 TYR H . . 2.950 2.167 2.138 2.271 . 0 0 "[ . 1 . 2]" 1
959 1 46 ASP HA 1 51 ILE HA . . 3.550 2.333 1.995 2.806 . 0 0 "[ . 1 . 2]" 1
960 1 46 ASP HA 1 51 ILE MD . . 3.880 3.332 2.765 3.823 . 0 0 "[ . 1 . 2]" 1
961 1 46 ASP HA 1 51 ILE MG . . 4.310 3.712 3.265 4.289 . 0 0 "[ . 1 . 2]" 1
962 1 46 ASP HA 1 52 GLN H . . 3.760 2.266 1.895 2.647 . 0 0 "[ . 1 . 2]" 1
963 1 46 ASP HA 1 52 GLN HA . . 5.000 4.021 3.643 4.491 . 0 0 "[ . 1 . 2]" 1
964 1 46 ASP QB 1 47 TYR H . . 3.850 3.221 2.720 3.669 . 0 0 "[ . 1 . 2]" 1
965 1 46 ASP QB 1 51 ILE MD . . 3.290 2.084 1.885 2.582 . 0 0 "[ . 1 . 2]" 1
966 1 46 ASP HB2 1 47 TYR H . . 4.470 3.500 2.780 4.240 . 0 0 "[ . 1 . 2]" 1
967 1 46 ASP HB2 1 51 ILE HA . . 4.360 3.098 2.048 4.362 0.002 7 0 "[ . 1 . 2]" 1
968 1 46 ASP HB2 1 51 ILE MD . . 3.900 2.497 1.957 3.884 . 0 0 "[ . 1 . 2]" 1
969 1 46 ASP HB3 1 47 TYR H . . 4.470 4.027 3.396 4.476 0.006 18 0 "[ . 1 . 2]" 1
970 1 46 ASP HB3 1 51 ILE HA . . 4.360 2.956 2.037 4.075 . 0 0 "[ . 1 . 2]" 1
971 1 46 ASP HB3 1 51 ILE MD . . 3.900 2.850 1.909 3.710 . 0 0 "[ . 1 . 2]" 1
972 1 47 TYR H 1 47 TYR QB . . 3.700 2.612 2.319 2.814 . 0 0 "[ . 1 . 2]" 1
973 1 47 TYR H 1 47 TYR QD . . 4.430 4.342 4.208 4.444 0.014 17 0 "[ . 1 . 2]" 1
974 1 47 TYR H 1 50 ARG H . . 4.300 4.197 3.829 4.294 . 0 0 "[ . 1 . 2]" 1
975 1 47 TYR H 1 50 ARG HB2 . . 4.210 3.041 2.646 3.437 . 0 0 "[ . 1 . 2]" 1
976 1 47 TYR H 1 50 ARG QB . . 3.700 2.933 2.607 3.291 . 0 0 "[ . 1 . 2]" 1
977 1 47 TYR H 1 50 ARG HB3 . . 4.210 3.926 3.468 4.206 . 0 0 "[ . 1 . 2]" 1
978 1 47 TYR H 1 51 ILE HA . . 4.020 3.254 2.652 3.984 . 0 0 "[ . 1 . 2]" 1
979 1 47 TYR H 1 51 ILE MD . . 4.130 3.538 2.858 4.131 0.001 10 0 "[ . 1 . 2]" 1
980 1 47 TYR H 1 52 GLN H . . 4.580 4.161 3.697 4.501 . 0 0 "[ . 1 . 2]" 1
981 1 47 TYR HA 1 47 TYR QD . . 3.570 2.514 2.135 2.777 . 0 0 "[ . 1 . 2]" 1
982 1 48 GLY QA 1 50 ARG H . . 4.070 3.516 3.253 3.824 . 0 0 "[ . 1 . 2]" 1
983 1 48 GLY HA2 1 49 THR MG . . 4.670 4.560 4.296 4.670 0.000 12 0 "[ . 1 . 2]" 1
984 1 48 GLY HA2 1 50 ARG H . . 4.720 4.540 4.290 4.725 0.005 7 0 "[ . 1 . 2]" 1
985 1 48 GLY HA3 1 49 THR MG . . 4.670 3.891 3.428 4.397 . 0 0 "[ . 1 . 2]" 1
986 1 48 GLY HA3 1 50 ARG H . . 4.720 3.663 3.357 4.041 . 0 0 "[ . 1 . 2]" 1
987 1 49 THR HA 1 49 THR HB . . 2.960 2.495 2.401 2.623 . 0 0 "[ . 1 . 2]" 1
988 1 49 THR HA 1 49 THR MG . . 3.270 2.514 2.108 3.202 . 0 0 "[ . 1 . 2]" 1
989 1 49 THR HA 1 51 ILE MD . . 4.640 4.291 3.808 4.616 . 0 0 "[ . 1 . 2]" 1
990 1 49 THR MG 1 50 ARG H . . 4.310 3.511 1.883 4.258 . 0 0 "[ . 1 . 2]" 1
991 1 50 ARG H 1 50 ARG QB . . 3.210 2.431 2.229 2.566 . 0 0 "[ . 1 . 2]" 1
992 1 50 ARG H 1 50 ARG QD . . 4.220 3.424 1.977 4.186 . 0 0 "[ . 1 . 2]" 1
993 1 50 ARG H 1 50 ARG HG2 . . 3.910 2.636 2.069 3.911 0.001 15 0 "[ . 1 . 2]" 1
994 1 50 ARG H 1 50 ARG HG3 . . 3.910 3.571 2.514 3.917 0.007 10 0 "[ . 1 . 2]" 1
995 1 50 ARG H 1 51 ILE H . . 4.730 4.598 4.536 4.631 . 0 0 "[ . 1 . 2]" 1
996 1 50 ARG H 1 51 ILE MD . . 4.630 4.365 4.010 4.629 . 0 0 "[ . 1 . 2]" 1
997 1 50 ARG HA 1 50 ARG QD . . 3.740 2.388 1.990 3.740 0.000 20 0 "[ . 1 . 2]" 1
998 1 50 ARG HA 1 50 ARG QG . . 3.570 2.773 2.379 3.077 . 0 0 "[ . 1 . 2]" 1
999 1 50 ARG HA 1 51 ILE H . . 3.010 2.262 2.159 2.419 . 0 0 "[ . 1 . 2]" 1
1000 1 50 ARG HA 1 51 ILE HB . . 4.810 4.606 4.479 4.787 . 0 0 "[ . 1 . 2]" 1
1001 1 50 ARG HA 1 51 ILE HG12 . . 4.600 3.417 3.174 3.786 . 0 0 "[ . 1 . 2]" 1
1002 1 50 ARG QB 1 50 ARG QD . . 3.370 2.332 1.998 2.775 . 0 0 "[ . 1 . 2]" 1
1003 1 50 ARG QB 1 51 ILE H . . 3.610 2.773 2.388 3.148 . 0 0 "[ . 1 . 2]" 1
1004 1 50 ARG QB 1 53 GLN QG . . 3.340 2.144 1.917 2.594 . 0 0 "[ . 1 . 2]" 1
1005 1 50 ARG HB2 1 51 ILE H . . 4.380 3.897 3.461 4.282 . 0 0 "[ . 1 . 2]" 1
1006 1 50 ARG HB3 1 51 ILE H . . 4.380 2.840 2.434 3.240 . 0 0 "[ . 1 . 2]" 1
1007 1 50 ARG QD 1 51 ILE H . . 4.710 3.877 3.288 4.679 . 0 0 "[ . 1 . 2]" 1
1008 1 50 ARG QD 1 53 GLN QG . . 4.270 2.715 1.888 4.287 0.017 10 0 "[ . 1 . 2]" 1
1009 1 50 ARG QG 1 51 ILE H . . 5.030 4.301 3.578 4.616 . 0 0 "[ . 1 . 2]" 1
1010 1 51 ILE H 1 51 ILE HB . . 3.230 2.883 2.651 2.996 . 0 0 "[ . 1 . 2]" 1
1011 1 51 ILE H 1 51 ILE MD . . 4.010 3.858 3.711 4.010 0.000 16 0 "[ . 1 . 2]" 1
1012 1 51 ILE H 1 51 ILE HG12 . . 3.690 2.937 2.538 3.160 . 0 0 "[ . 1 . 2]" 1
1013 1 51 ILE H 1 51 ILE HG13 . . 4.500 4.273 3.932 4.424 . 0 0 "[ . 1 . 2]" 1
1014 1 51 ILE H 1 51 ILE MG . . 3.980 3.943 3.848 3.987 0.007 7 0 "[ . 1 . 2]" 1
1015 1 51 ILE H 1 52 GLN H . . 4.740 4.164 3.961 4.369 . 0 0 "[ . 1 . 2]" 1
1016 1 51 ILE H 1 53 GLN HE21 . . 5.330 3.306 1.970 4.923 . 0 0 "[ . 1 . 2]" 1
1017 1 51 ILE H 1 53 GLN QE . . 4.580 3.115 1.962 3.930 . 0 0 "[ . 1 . 2]" 1
1018 1 51 ILE H 1 53 GLN HE22 . . 5.330 4.523 3.445 5.246 . 0 0 "[ . 1 . 2]" 1
1019 1 51 ILE H 1 53 GLN HG2 . . 4.650 2.627 1.994 3.645 . 0 0 "[ . 1 . 2]" 1
1020 1 51 ILE H 1 53 GLN QG . . 4.080 2.518 1.943 3.521 . 0 0 "[ . 1 . 2]" 1
1021 1 51 ILE H 1 53 GLN HG3 . . 4.650 3.603 2.262 4.651 0.001 16 0 "[ . 1 . 2]" 1
1022 1 51 ILE HA 1 51 ILE MD . . 3.000 2.080 1.972 2.305 . 0 0 "[ . 1 . 2]" 1
1023 1 51 ILE HA 1 51 ILE HG12 . . 3.940 3.042 2.954 3.124 . 0 0 "[ . 1 . 2]" 1
1024 1 51 ILE HA 1 51 ILE HG13 . . 3.940 3.786 3.700 3.864 . 0 0 "[ . 1 . 2]" 1
1025 1 51 ILE HA 1 51 ILE MG . . 3.130 2.320 2.184 2.440 . 0 0 "[ . 1 . 2]" 1
1026 1 51 ILE HA 1 52 GLN H . . 3.100 2.161 2.140 2.202 . 0 0 "[ . 1 . 2]" 1
1027 1 51 ILE HA 1 52 GLN HA . . 4.420 4.367 4.353 4.376 . 0 0 "[ . 1 . 2]" 1
1028 1 51 ILE HA 1 52 GLN QG . . 4.610 3.853 3.577 4.174 . 0 0 "[ . 1 . 2]" 1
1029 1 51 ILE HA 1 53 GLN H . . 5.010 4.050 3.716 4.227 . 0 0 "[ . 1 . 2]" 1
1030 1 51 ILE HB 1 51 ILE MD . . 3.300 3.218 3.204 3.229 . 0 0 "[ . 1 . 2]" 1
1031 1 51 ILE HB 1 52 GLN H . . 4.750 4.147 3.879 4.371 . 0 0 "[ . 1 . 2]" 1
1032 1 51 ILE MD 1 52 GLN H . . 3.980 3.709 3.529 3.879 . 0 0 "[ . 1 . 2]" 1
1033 1 51 ILE HG12 1 51 ILE MG . . 3.200 3.187 3.176 3.201 0.001 19 0 "[ . 1 . 2]" 1
1034 1 51 ILE HG13 1 51 ILE MG . . 3.070 2.438 2.307 2.492 . 0 0 "[ . 1 . 2]" 1
1035 1 51 ILE MG 1 52 GLN H . . 3.330 2.520 2.049 3.025 . 0 0 "[ . 1 . 2]" 1
1036 1 51 ILE MG 1 52 GLN HA . . 4.260 3.963 3.715 4.165 . 0 0 "[ . 1 . 2]" 1
1037 1 51 ILE MG 1 52 GLN HB2 . . 3.430 3.172 2.888 3.321 . 0 0 "[ . 1 . 2]" 1
1038 1 51 ILE MG 1 52 GLN HB3 . . 4.340 4.271 4.089 4.348 0.008 10 0 "[ . 1 . 2]" 1
1039 1 51 ILE MG 1 52 GLN HE21 . . 3.660 3.445 3.175 3.659 . 0 0 "[ . 1 . 2]" 1
1040 1 51 ILE MG 1 52 GLN HE22 . . 4.860 4.776 4.343 4.868 0.008 10 0 "[ . 1 . 2]" 1
1041 1 51 ILE MG 1 52 GLN HG2 . . 3.250 2.038 1.946 2.150 . 0 0 "[ . 1 . 2]" 1
1042 1 51 ILE MG 1 52 GLN HG3 . . 3.250 3.141 2.979 3.243 . 0 0 "[ . 1 . 2]" 1
1043 1 52 GLN H 1 52 GLN HE21 . . 4.020 2.542 1.962 2.770 . 0 0 "[ . 1 . 2]" 1
1044 1 52 GLN H 1 52 GLN HE22 . . 4.540 4.212 3.642 4.483 . 0 0 "[ . 1 . 2]" 1
1045 1 52 GLN H 1 52 GLN HG2 . . 4.450 2.652 2.274 2.898 . 0 0 "[ . 1 . 2]" 1
1046 1 52 GLN H 1 52 GLN QG . . 3.850 2.625 2.259 2.861 . 0 0 "[ . 1 . 2]" 1
1047 1 52 GLN H 1 52 GLN HG3 . . 4.450 4.223 3.904 4.419 . 0 0 "[ . 1 . 2]" 1
1048 1 52 GLN H 1 53 GLN H . . 3.990 2.895 2.686 3.183 . 0 0 "[ . 1 . 2]" 1
1049 1 52 GLN HA 1 52 GLN HE21 . . 4.070 2.299 1.914 2.925 . 0 0 "[ . 1 . 2]" 1
1050 1 52 GLN HA 1 52 GLN HE22 . . 4.400 3.282 2.956 3.744 . 0 0 "[ . 1 . 2]" 1
1051 1 52 GLN HA 1 52 GLN QG . . 3.740 2.856 2.763 2.995 . 0 0 "[ . 1 . 2]" 1
1052 1 52 GLN HA 1 53 GLN H . . 3.490 2.674 2.614 2.787 . 0 0 "[ . 1 . 2]" 1
1053 1 53 GLN H 1 53 GLN HB2 . . 4.000 2.369 2.249 2.568 . 0 0 "[ . 1 . 2]" 1
1054 1 53 GLN H 1 53 GLN QB . . 3.500 2.338 2.224 2.522 . 0 0 "[ . 1 . 2]" 1
1055 1 53 GLN H 1 53 GLN HB3 . . 4.000 3.600 3.497 3.687 . 0 0 "[ . 1 . 2]" 1
1056 1 53 GLN H 1 53 GLN HG2 . . 4.530 3.171 2.483 4.156 . 0 0 "[ . 1 . 2]" 1
1057 1 53 GLN H 1 53 GLN QG . . 3.860 3.039 2.454 3.821 . 0 0 "[ . 1 . 2]" 1
1058 1 53 GLN H 1 53 GLN HG3 . . 4.530 4.136 2.882 4.490 . 0 0 "[ . 1 . 2]" 1
1059 1 53 GLN QB 1 54 TYR HA . . 5.340 4.506 4.140 4.712 . 0 0 "[ . 1 . 2]" 1
1060 1 53 GLN QB 1 55 PHE QD . . 5.340 4.370 3.655 4.899 . 0 0 "[ . 1 . 2]" 1
1061 1 53 GLN HB2 1 54 TYR H . . 5.210 4.050 3.258 4.371 . 0 0 "[ . 1 . 2]" 1
1062 1 53 GLN HB3 1 54 TYR H . . 5.210 2.906 1.922 3.330 . 0 0 "[ . 1 . 2]" 1
1063 1 54 TYR H 1 54 TYR QD . . 4.150 2.665 1.968 3.342 . 0 0 "[ . 1 . 2]" 1
1064 1 54 TYR HA 1 54 TYR QD . . 4.130 2.675 2.112 3.085 . 0 0 "[ . 1 . 2]" 1
1065 1 54 TYR QD 1 55 PHE H . . 5.180 3.907 3.279 4.758 . 0 0 "[ . 1 . 2]" 1
1066 1 55 PHE H 1 55 PHE QD . . 4.620 2.598 1.927 3.271 . 0 0 "[ . 1 . 2]" 1
1067 1 55 PHE QB 1 56 PRO QD . . 3.760 2.021 1.968 2.241 . 0 0 "[ . 1 . 2]" 1
1068 1 55 PHE QB 1 56 PRO QG . . 5.180 3.650 3.533 3.857 . 0 0 "[ . 1 . 2]" 1
1069 1 55 PHE QD 1 56 PRO HD2 . . 5.270 3.370 2.878 3.754 . 0 0 "[ . 1 . 2]" 1
1070 1 55 PHE QD 1 56 PRO QD . . 4.550 3.293 2.837 3.650 . 0 0 "[ . 1 . 2]" 1
1071 1 55 PHE QD 1 56 PRO HD3 . . 5.270 4.655 4.310 4.981 . 0 0 "[ . 1 . 2]" 1
1072 1 55 PHE QD 1 60 VAL MG1 . . 4.220 2.678 2.313 3.058 . 0 0 "[ . 1 . 2]" 1
1073 1 55 PHE QD 1 60 VAL MG2 . . 4.610 2.993 2.528 3.773 . 0 0 "[ . 1 . 2]" 1
1074 1 55 PHE QE 1 57 SER HA . . 4.690 3.097 2.343 4.112 . 0 0 "[ . 1 . 2]" 1
1075 1 55 PHE QE 1 60 VAL MG1 . . 3.250 2.857 1.912 3.242 . 0 0 "[ . 1 . 2]" 1
1076 1 55 PHE QE 1 60 VAL MG2 . . 2.950 2.021 1.805 2.423 . 0 0 "[ . 1 . 2]" 1
1077 1 56 PRO HA 1 59 TYR HB2 . . 4.980 4.876 4.460 4.984 0.004 11 0 "[ . 1 . 2]" 1
1078 1 56 PRO QB 1 59 TYR H . . 4.730 2.684 2.320 2.994 . 0 0 "[ . 1 . 2]" 1
1079 1 56 PRO QB 1 59 TYR HB2 . . 4.710 2.559 2.004 2.985 . 0 0 "[ . 1 . 2]" 1
1080 1 56 PRO QB 1 59 TYR QD . . 4.260 2.669 1.984 3.223 . 0 0 "[ . 1 . 2]" 1
1081 1 56 PRO HB2 1 59 TYR H . . 5.500 2.707 2.334 3.026 . 0 0 "[ . 1 . 2]" 1
1082 1 56 PRO HB2 1 59 TYR HB2 . . 5.350 2.587 2.015 3.032 . 0 0 "[ . 1 . 2]" 1
1083 1 56 PRO HB2 1 59 TYR QD . . 4.910 2.716 1.999 3.313 . 0 0 "[ . 1 . 2]" 1
1084 1 56 PRO HB3 1 59 TYR H . . 5.500 4.442 4.047 4.746 . 0 0 "[ . 1 . 2]" 1
1085 1 56 PRO HB3 1 59 TYR HB2 . . 5.350 4.068 3.561 4.452 . 0 0 "[ . 1 . 2]" 1
1086 1 56 PRO HB3 1 59 TYR QD . . 4.910 3.972 3.268 4.413 . 0 0 "[ . 1 . 2]" 1
1087 1 56 PRO QG 1 59 TYR HB2 . . 4.520 2.044 1.974 2.305 . 0 0 "[ . 1 . 2]" 1
1088 1 56 PRO QG 1 59 TYR HB3 . . 4.760 3.224 2.884 3.381 . 0 0 "[ . 1 . 2]" 1
1089 1 56 PRO QG 1 59 TYR QD . . 4.530 3.329 2.558 3.677 . 0 0 "[ . 1 . 2]" 1
1090 1 56 PRO HG2 1 59 TYR QD . . 5.190 3.623 2.720 4.017 . 0 0 "[ . 1 . 2]" 1
1091 1 56 PRO HG3 1 59 TYR QD . . 5.190 3.891 3.113 4.264 . 0 0 "[ . 1 . 2]" 1
1092 1 57 SER H 1 57 SER HB2 . . 4.170 3.419 2.368 3.632 . 0 0 "[ . 1 . 2]" 1
1093 1 57 SER H 1 57 SER QB . . 3.630 2.517 2.265 2.728 . 0 0 "[ . 1 . 2]" 1
1094 1 57 SER H 1 57 SER HB3 . . 4.170 2.721 2.375 3.597 . 0 0 "[ . 1 . 2]" 1
1095 1 57 SER H 1 58 ASN H . . 3.840 2.496 2.318 2.659 . 0 0 "[ . 1 . 2]" 1
1096 1 57 SER HA 1 60 VAL H . . 4.860 3.680 3.334 4.232 . 0 0 "[ . 1 . 2]" 1
1097 1 57 SER HA 1 60 VAL MG2 . . 3.620 2.034 1.892 2.191 . 0 0 "[ . 1 . 2]" 1
1098 1 58 ASN H 1 58 ASN HB2 . . 3.920 2.567 2.252 3.635 . 0 0 "[ . 1 . 2]" 1
1099 1 58 ASN H 1 58 ASN QB . . 3.360 2.414 2.228 2.723 . 0 0 "[ . 1 . 2]" 1
1100 1 58 ASN H 1 58 ASN HB3 . . 3.920 3.400 2.479 3.616 . 0 0 "[ . 1 . 2]" 1
1101 1 58 ASN H 1 59 TYR H . . 3.350 2.483 2.323 2.655 . 0 0 "[ . 1 . 2]" 1
1102 1 58 ASN H 1 60 VAL H . . 4.210 4.117 3.963 4.212 0.002 16 0 "[ . 1 . 2]" 1
1103 1 58 ASN HA 1 60 VAL H . . 3.900 3.628 3.429 3.899 . 0 0 "[ . 1 . 2]" 1
1104 1 58 ASN QB 1 59 TYR H . . 4.380 3.152 2.801 3.655 . 0 0 "[ . 1 . 2]" 1
1105 1 59 TYR H 1 59 TYR HB2 . . 3.380 2.276 2.178 2.353 . 0 0 "[ . 1 . 2]" 1
1106 1 59 TYR H 1 59 TYR HB3 . . 3.730 3.520 3.486 3.576 . 0 0 "[ . 1 . 2]" 1
1107 1 59 TYR H 1 59 TYR QD . . 3.670 2.823 2.413 3.017 . 0 0 "[ . 1 . 2]" 1
1108 1 59 TYR H 1 59 TYR QE . . 5.290 5.116 4.750 5.289 . 0 0 "[ . 1 . 2]" 1
1109 1 59 TYR H 1 60 VAL H . . 3.090 2.445 2.119 2.747 . 0 0 "[ . 1 . 2]" 1
1110 1 59 TYR H 1 60 VAL MG1 . . 4.150 3.526 3.316 3.942 . 0 0 "[ . 1 . 2]" 1
1111 1 59 TYR H 1 60 VAL MG2 . . 4.150 3.600 3.432 4.010 . 0 0 "[ . 1 . 2]" 1
1112 1 59 TYR HA 1 59 TYR QD . . 4.240 2.867 2.472 3.061 . 0 0 "[ . 1 . 2]" 1
1113 1 59 TYR HA 1 60 VAL MG2 . . 5.500 4.995 4.756 5.269 . 0 0 "[ . 1 . 2]" 1
1114 1 59 TYR HB2 1 60 VAL H . . 4.130 3.787 3.179 4.059 . 0 0 "[ . 1 . 2]" 1
1115 1 59 TYR HB2 1 60 VAL MG1 . . 4.140 3.233 3.064 3.418 . 0 0 "[ . 1 . 2]" 1
1116 1 59 TYR HB3 1 60 VAL H . . 4.440 4.114 3.652 4.269 . 0 0 "[ . 1 . 2]" 1
1117 1 59 TYR HB3 1 60 VAL MG1 . . 4.240 3.136 2.978 3.366 . 0 0 "[ . 1 . 2]" 1
1118 1 59 TYR QD 1 60 VAL MG1 . . 5.380 4.620 4.531 4.750 . 0 0 "[ . 1 . 2]" 1
1119 1 60 VAL H 1 60 VAL MG1 . . 3.460 2.858 2.443 3.043 . 0 0 "[ . 1 . 2]" 1
1120 1 60 VAL H 1 60 VAL MG2 . . 2.950 2.353 2.184 2.499 . 0 0 "[ . 1 . 2]" 1
1121 1 60 VAL H 1 61 GLU H . . 4.570 4.418 4.333 4.516 . 0 0 "[ . 1 . 2]" 1
1122 1 60 VAL HA 1 60 VAL MG1 . . 3.230 2.438 2.325 2.508 . 0 0 "[ . 1 . 2]" 1
1123 1 60 VAL HA 1 61 GLU H . . 3.180 2.363 2.264 2.517 . 0 0 "[ . 1 . 2]" 1
1124 1 60 VAL HA 1 61 GLU QG . . 4.650 4.079 3.941 4.453 . 0 0 "[ . 1 . 2]" 1
1125 1 60 VAL HB 1 61 GLU H . . 3.330 2.519 2.193 2.762 . 0 0 "[ . 1 . 2]" 1
1126 1 60 VAL MG1 1 61 GLU H . . 3.940 3.813 3.691 3.899 . 0 0 "[ . 1 . 2]" 1
1127 1 60 VAL MG2 1 61 GLU H . . 3.790 3.363 3.092 3.621 . 0 0 "[ . 1 . 2]" 1
1128 1 60 VAL MG2 1 62 ASP H . . 4.810 4.694 4.473 4.817 0.007 11 0 "[ . 1 . 2]" 1
1129 1 60 VAL MG2 1 62 ASP HA . . 5.500 4.965 4.631 5.146 . 0 0 "[ . 1 . 2]" 1
1130 1 61 GLU H 1 61 GLU HB2 . . 4.100 3.877 3.828 3.962 . 0 0 "[ . 1 . 2]" 1
1131 1 61 GLU H 1 61 GLU HB3 . . 4.100 3.061 2.902 3.190 . 0 0 "[ . 1 . 2]" 1
1132 1 61 GLU H 1 61 GLU QG . . 3.490 2.536 2.383 2.701 . 0 0 "[ . 1 . 2]" 1
1133 1 61 GLU QB 1 62 ASP H . . 3.660 2.930 2.844 3.054 . 0 0 "[ . 1 . 2]" 1
1134 1 61 GLU HB2 1 62 ASP H . . 4.210 2.995 2.902 3.136 . 0 0 "[ . 1 . 2]" 1
1135 1 61 GLU HB3 1 62 ASP H . . 4.210 4.156 4.084 4.212 0.002 10 0 "[ . 1 . 2]" 1
1136 1 61 GLU QG 1 62 ASP H . . 3.990 3.744 3.437 3.951 . 0 0 "[ . 1 . 2]" 1
1137 1 61 GLU QG 1 62 ASP QB . . 5.340 5.099 4.807 5.299 . 0 0 "[ . 1 . 2]" 1
1138 1 61 GLU QG 1 63 ILE MG . . 3.470 2.496 2.195 2.722 . 0 0 "[ . 1 . 2]" 1
1139 1 62 ASP H 1 62 ASP HB2 . . 3.610 3.388 2.217 3.597 . 0 0 "[ . 1 . 2]" 1
1140 1 62 ASP H 1 62 ASP QB . . 3.060 2.554 2.150 2.840 . 0 0 "[ . 1 . 2]" 1
1141 1 62 ASP H 1 62 ASP HB3 . . 3.610 2.774 2.224 3.596 . 0 0 "[ . 1 . 2]" 1
1142 1 62 ASP H 1 63 ILE H . . 5.500 4.529 4.405 4.592 . 0 0 "[ . 1 . 2]" 1
1143 1 62 ASP HA 1 63 ILE H . . 2.920 2.157 2.138 2.180 . 0 0 "[ . 1 . 2]" 1
1144 1 62 ASP HA 1 63 ILE QG . . 4.320 3.681 3.551 3.758 . 0 0 "[ . 1 . 2]" 1
1145 1 62 ASP HA 1 63 ILE MG . . 3.950 3.812 3.628 3.939 . 0 0 "[ . 1 . 2]" 1
1146 1 62 ASP QB 1 63 ILE H . . 3.590 3.234 3.083 3.587 . 0 0 "[ . 1 . 2]" 1
1147 1 62 ASP QB 1 64 SER H . . 4.650 3.721 3.192 4.302 . 0 0 "[ . 1 . 2]" 1
1148 1 62 ASP HB2 1 63 ILE H . . 4.320 3.491 3.182 4.322 0.002 17 0 "[ . 1 . 2]" 1
1149 1 62 ASP HB3 1 63 ILE H . . 4.320 4.066 3.217 4.322 0.002 10 0 "[ . 1 . 2]" 1
1150 1 63 ILE H 1 63 ILE HB . . 3.820 3.731 3.652 3.812 . 0 0 "[ . 1 . 2]" 1
1151 1 63 ILE H 1 63 ILE MD . . 3.920 3.782 3.660 3.900 . 0 0 "[ . 1 . 2]" 1
1152 1 63 ILE H 1 63 ILE HG12 . . 3.700 2.150 1.968 2.350 . 0 0 "[ . 1 . 2]" 1
1153 1 63 ILE H 1 63 ILE QG . . 3.200 2.073 1.928 2.205 . 0 0 "[ . 1 . 2]" 1
1154 1 63 ILE H 1 63 ILE HG13 . . 3.700 2.756 2.565 2.945 . 0 0 "[ . 1 . 2]" 1
1155 1 63 ILE H 1 63 ILE MG . . 3.320 2.843 2.647 3.014 . 0 0 "[ . 1 . 2]" 1
1156 1 63 ILE H 1 64 SER H . . 3.520 1.984 1.847 2.209 . 0 0 "[ . 1 . 2]" 1
1157 1 63 ILE HA 1 63 ILE HB . . 2.930 2.483 2.446 2.534 . 0 0 "[ . 1 . 2]" 1
1158 1 63 ILE HA 1 63 ILE MD . . 4.320 4.162 4.138 4.182 . 0 0 "[ . 1 . 2]" 1
1159 1 63 ILE HA 1 63 ILE HG12 . . 3.970 3.750 3.707 3.824 . 0 0 "[ . 1 . 2]" 1
1160 1 63 ILE HA 1 63 ILE QG . . 3.430 3.307 3.296 3.309 . 0 0 "[ . 1 . 2]" 1
1161 1 63 ILE HA 1 63 ILE HG13 . . 3.970 3.677 3.620 3.716 . 0 0 "[ . 1 . 2]" 1
1162 1 63 ILE HA 1 63 ILE MG . . 2.880 2.300 2.190 2.383 . 0 0 "[ . 1 . 2]" 1
1163 1 63 ILE HB 1 63 ILE MD . . 2.970 2.331 2.171 2.421 . 0 0 "[ . 1 . 2]" 1
1164 1 63 ILE HB 1 64 SER H . . 4.130 3.870 3.666 4.103 . 0 0 "[ . 1 . 2]" 1
1165 1 63 ILE HG12 1 64 SER H . . 4.500 2.987 2.623 3.400 . 0 0 "[ . 1 . 2]" 1
1166 1 63 ILE HG13 1 64 SER H . . 4.500 2.307 1.953 2.863 . 0 0 "[ . 1 . 2]" 1
1167 1 63 ILE MG 1 64 SER H . . 4.190 4.035 3.889 4.181 . 0 0 "[ . 1 . 2]" 1
1168 1 64 SER H 1 64 SER QB . . 3.360 2.274 2.133 2.436 . 0 0 "[ . 1 . 2]" 1
1169 1 64 SER H 1 65 GLY H . . 4.620 3.972 2.502 4.597 . 0 0 "[ . 1 . 2]" 1
1170 1 64 SER HA 1 65 GLY H . . 3.270 2.440 2.143 3.075 . 0 0 "[ . 1 . 2]" 1
1171 1 64 SER QB 1 65 GLY H . . 3.730 3.585 3.105 3.737 0.007 5 0 "[ . 1 . 2]" 1
1172 1 65 GLY QA 1 66 PRO QG . . 3.870 3.693 3.680 3.700 . 0 0 "[ . 1 . 2]" 1
1173 1 65 GLY HA2 1 66 PRO QD . . 2.760 2.258 2.068 2.484 . 0 0 "[ . 1 . 2]" 1
1174 1 65 GLY HA2 1 66 PRO QG . . 4.400 4.176 3.978 4.400 . 0 0 "[ . 1 . 2]" 1
1175 1 65 GLY HA3 1 66 PRO QD . . 2.760 2.329 2.076 2.594 . 0 0 "[ . 1 . 2]" 1
1176 1 65 GLY HA3 1 66 PRO QG . . 4.400 4.143 3.946 4.356 . 0 0 "[ . 1 . 2]" 1
stop_
save_