NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
591884 |
2mqk   |
25037 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mqk
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 1481
_Distance_constraint_stats_list.Viol_count 2137
_Distance_constraint_stats_list.Viol_total 2470.538
_Distance_constraint_stats_list.Viol_max 0.164
_Distance_constraint_stats_list.Viol_rms 0.0167
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0578
_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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.031 0.031 5 0 "[ . 1 . 2]"
1 3 MET 3.067 0.088 11 0 "[ . 1 . 2]"
1 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ILE 2.541 0.101 10 0 "[ . 1 . 2]"
1 6 SER 0.133 0.049 16 0 "[ . 1 . 2]"
1 7 ASP 3.319 0.087 9 0 "[ . 1 . 2]"
1 8 ILE 3.612 0.118 12 0 "[ . 1 . 2]"
1 9 ARG 3.186 0.106 17 0 "[ . 1 . 2]"
1 10 ALA 3.862 0.106 8 0 "[ . 1 . 2]"
1 11 GLY 1.885 0.107 4 0 "[ . 1 . 2]"
1 12 LEU 8.478 0.164 2 0 "[ . 1 . 2]"
1 13 ARG 5.499 0.102 17 0 "[ . 1 . 2]"
1 14 THR 6.019 0.114 4 0 "[ . 1 . 2]"
1 15 LEU 9.525 0.164 2 0 "[ . 1 . 2]"
1 16 VAL 9.118 0.119 19 0 "[ . 1 . 2]"
1 17 GLU 3.267 0.089 6 0 "[ . 1 . 2]"
1 18 ASN 3.044 0.089 5 0 "[ . 1 . 2]"
1 19 GLU 0.957 0.092 2 0 "[ . 1 . 2]"
1 20 GLU 5.666 0.127 19 0 "[ . 1 . 2]"
1 21 THR 2.999 0.119 19 0 "[ . 1 . 2]"
1 22 THR 3.175 0.110 1 0 "[ . 1 . 2]"
1 23 PHE 5.014 0.110 1 0 "[ . 1 . 2]"
1 24 LYS 2.594 0.128 1 0 "[ . 1 . 2]"
1 25 GLN 1.674 0.105 12 0 "[ . 1 . 2]"
1 26 ILE 5.426 0.102 19 0 "[ . 1 . 2]"
1 27 ALA 4.315 0.104 6 0 "[ . 1 . 2]"
1 28 LEU 2.654 0.097 14 0 "[ . 1 . 2]"
1 29 GLU 3.336 0.095 6 0 "[ . 1 . 2]"
1 30 SER 4.901 0.106 3 0 "[ . 1 . 2]"
1 31 GLY 1.309 0.090 1 0 "[ . 1 . 2]"
1 32 LEU 4.922 0.098 3 0 "[ . 1 . 2]"
1 33 SER 1.913 0.093 15 0 "[ . 1 . 2]"
1 34 THR 4.626 0.128 1 0 "[ . 1 . 2]"
1 35 GLY 0.006 0.006 15 0 "[ . 1 . 2]"
1 36 THR 4.223 0.118 19 0 "[ . 1 . 2]"
1 37 ILE 9.789 0.106 7 0 "[ . 1 . 2]"
1 38 SER 6.303 0.105 4 0 "[ . 1 . 2]"
1 39 SER 6.185 0.118 19 0 "[ . 1 . 2]"
1 40 PHE 6.122 0.102 3 0 "[ . 1 . 2]"
1 41 ILE 4.469 0.106 17 0 "[ . 1 . 2]"
1 42 ASN 0.796 0.080 4 0 "[ . 1 . 2]"
1 43 ASP 1.162 0.102 15 0 "[ . 1 . 2]"
1 44 LYS 2.285 0.099 10 0 "[ . 1 . 2]"
1 45 TYR 3.258 0.115 13 0 "[ . 1 . 2]"
1 47 GLY 0.880 0.115 13 0 "[ . 1 . 2]"
1 49 ASN 0.475 0.097 14 0 "[ . 1 . 2]"
1 50 GLU 0.235 0.091 3 0 "[ . 1 . 2]"
1 51 ARG 0.405 0.091 3 0 "[ . 1 . 2]"
1 52 VAL 3.401 0.096 4 0 "[ . 1 . 2]"
1 53 SER 1.952 0.118 12 0 "[ . 1 . 2]"
1 54 GLN 1.608 0.084 15 0 "[ . 1 . 2]"
1 55 THR 6.490 0.106 3 0 "[ . 1 . 2]"
1 56 LEU 10.412 0.102 19 0 "[ . 1 . 2]"
1 57 GLN 5.505 0.091 12 0 "[ . 1 . 2]"
1 58 ARG 2.485 0.109 15 0 "[ . 1 . 2]"
1 59 TRP 11.909 0.136 2 0 "[ . 1 . 2]"
1 60 LEU 7.023 0.138 8 0 "[ . 1 . 2]"
1 61 GLU 1.017 0.109 15 0 "[ . 1 . 2]"
1 62 LYS 3.891 0.109 15 0 "[ . 1 . 2]"
1 63 TYR 8.077 0.138 8 0 "[ . 1 . 2]"
1 64 HIS 3.576 0.103 17 0 "[ . 1 . 2]"
1 65 ALA 0.075 0.052 10 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 1 GLY QA 1 2 PRO QD . . 3.150 2.042 1.922 2.122 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 PRO QG . . 4.310 3.784 3.647 3.863 . 0 0 "[ . 1 . 2]" 1
3 1 2 PRO HA 1 57 GLN QE . . 4.300 3.524 2.761 4.331 0.031 5 0 "[ . 1 . 2]" 1
4 1 3 MET H 1 57 GLN QE . . 4.910 2.952 1.987 3.923 . 0 0 "[ . 1 . 2]" 1
5 1 3 MET HA 1 4 ASN H . . 3.520 2.285 2.120 2.774 . 0 0 "[ . 1 . 2]" 1
6 1 3 MET HA 1 7 ASP H . . 5.500 5.465 5.063 5.583 0.083 10 0 "[ . 1 . 2]" 1
7 1 3 MET QB 1 3 MET ME . . 4.060 2.201 2.071 2.365 . 0 0 "[ . 1 . 2]" 1
8 1 3 MET QB 1 4 ASN H . . 4.120 2.863 2.062 3.346 . 0 0 "[ . 1 . 2]" 1
9 1 3 MET QB 1 7 ASP H . . 4.310 4.290 3.993 4.394 0.084 14 0 "[ . 1 . 2]" 1
10 1 3 MET QB 1 7 ASP QB . . 3.790 2.126 1.948 2.273 . 0 0 "[ . 1 . 2]" 1
11 1 3 MET QB 1 57 GLN QE . . 4.280 3.404 2.165 4.283 0.003 13 0 "[ . 1 . 2]" 1
12 1 3 MET HB2 1 4 ASN H . . 4.920 3.377 2.073 4.421 . 0 0 "[ . 1 . 2]" 1
13 1 3 MET HB2 1 7 ASP HB2 . . 5.500 3.114 2.100 5.556 0.056 11 0 "[ . 1 . 2]" 1
14 1 3 MET HB2 1 7 ASP HB3 . . 5.500 3.311 2.120 4.941 . 0 0 "[ . 1 . 2]" 1
15 1 3 MET HB2 1 57 GLN HE21 . . 5.500 4.633 2.752 5.574 0.074 6 0 "[ . 1 . 2]" 1
16 1 3 MET HB2 1 57 GLN HE22 . . 5.500 4.220 2.224 5.555 0.055 10 0 "[ . 1 . 2]" 1
17 1 3 MET HB3 1 4 ASN H . . 4.920 3.635 2.275 4.347 . 0 0 "[ . 1 . 2]" 1
18 1 3 MET HB3 1 7 ASP HB2 . . 5.500 3.413 2.122 5.028 . 0 0 "[ . 1 . 2]" 1
19 1 3 MET HB3 1 7 ASP HB3 . . 5.500 3.512 2.173 4.560 . 0 0 "[ . 1 . 2]" 1
20 1 3 MET HB3 1 57 GLN HE21 . . 5.500 5.002 4.320 5.494 . 0 0 "[ . 1 . 2]" 1
21 1 3 MET HB3 1 57 GLN HE22 . . 5.500 4.573 3.969 5.405 . 0 0 "[ . 1 . 2]" 1
22 1 3 MET ME 1 4 ASN H . . 5.500 4.686 4.135 5.336 . 0 0 "[ . 1 . 2]" 1
23 1 3 MET ME 1 7 ASP H . . 5.500 4.642 4.081 5.587 0.087 9 0 "[ . 1 . 2]" 1
24 1 3 MET ME 1 7 ASP HB2 . . 5.110 3.121 2.334 4.284 . 0 0 "[ . 1 . 2]" 1
25 1 3 MET ME 1 7 ASP QB . . 4.250 2.393 2.014 3.657 . 0 0 "[ . 1 . 2]" 1
26 1 3 MET ME 1 7 ASP HB3 . . 5.110 2.540 2.048 4.106 . 0 0 "[ . 1 . 2]" 1
27 1 3 MET ME 1 8 ILE HA . . 3.950 2.380 2.052 3.064 . 0 0 "[ . 1 . 2]" 1
28 1 3 MET ME 1 8 ILE MD . . 4.670 4.051 3.439 4.758 0.088 11 0 "[ . 1 . 2]" 1
29 1 3 MET ME 1 8 ILE HG12 . . 4.370 2.935 2.386 3.784 . 0 0 "[ . 1 . 2]" 1
30 1 3 MET ME 1 8 ILE QG . . 3.740 2.593 2.011 3.333 . 0 0 "[ . 1 . 2]" 1
31 1 3 MET ME 1 8 ILE HG13 . . 4.370 2.923 2.146 3.701 . 0 0 "[ . 1 . 2]" 1
32 1 3 MET ME 1 57 GLN HE21 . . 5.500 4.262 2.946 5.583 0.083 4 0 "[ . 1 . 2]" 1
33 1 3 MET ME 1 57 GLN HE22 . . 5.500 4.566 3.003 5.555 0.055 18 0 "[ . 1 . 2]" 1
34 1 3 MET QG 1 4 ASN H . . 5.290 3.772 3.204 4.288 . 0 0 "[ . 1 . 2]" 1
35 1 3 MET QG 1 7 ASP H . . 5.500 5.124 4.035 5.587 0.087 18 0 "[ . 1 . 2]" 1
36 1 3 MET QG 1 8 ILE MD . . 5.350 3.780 2.318 5.163 . 0 0 "[ . 1 . 2]" 1
37 1 3 MET QG 1 57 GLN QE . . 3.980 2.726 1.768 4.066 0.086 18 0 "[ . 1 . 2]" 1
38 1 4 ASN QB 1 6 SER H . . 5.080 3.033 2.449 3.728 . 0 0 "[ . 1 . 2]" 1
39 1 5 ILE HA 1 5 ILE MD . . 3.770 3.455 2.149 3.804 0.034 5 0 "[ . 1 . 2]" 1
40 1 5 ILE HA 1 5 ILE HG12 . . 3.910 2.526 2.227 3.697 . 0 0 "[ . 1 . 2]" 1
41 1 5 ILE HA 1 5 ILE QG . . 3.360 2.367 2.156 3.106 . 0 0 "[ . 1 . 2]" 1
42 1 5 ILE HA 1 5 ILE HG13 . . 3.910 3.070 2.477 3.792 . 0 0 "[ . 1 . 2]" 1
43 1 5 ILE HA 1 5 ILE MG . . 3.400 2.573 2.381 2.819 . 0 0 "[ . 1 . 2]" 1
44 1 5 ILE HA 1 8 ILE H . . 3.690 3.485 3.211 3.718 0.028 6 0 "[ . 1 . 2]" 1
45 1 5 ILE HA 1 8 ILE HB . . 3.930 2.736 2.370 3.241 . 0 0 "[ . 1 . 2]" 1
46 1 5 ILE HA 1 8 ILE MD . . 3.390 2.150 1.923 2.342 . 0 0 "[ . 1 . 2]" 1
47 1 5 ILE HA 1 8 ILE QG . . 4.420 3.387 2.681 3.876 . 0 0 "[ . 1 . 2]" 1
48 1 5 ILE HA 1 8 ILE MG . . 4.700 3.970 3.440 4.335 . 0 0 "[ . 1 . 2]" 1
49 1 5 ILE HA 1 9 ARG H . . 5.140 4.105 3.776 4.593 . 0 0 "[ . 1 . 2]" 1
50 1 5 ILE HA 1 40 PHE QE . . 4.770 4.169 3.521 4.828 0.058 5 0 "[ . 1 . 2]" 1
51 1 5 ILE HA 1 40 PHE HZ . . 4.380 3.025 2.297 3.886 . 0 0 "[ . 1 . 2]" 1
52 1 5 ILE HB 1 6 SER H . . 4.430 2.788 2.453 3.061 . 0 0 "[ . 1 . 2]" 1
53 1 5 ILE HB 1 40 PHE HZ . . 5.500 4.893 4.511 5.198 . 0 0 "[ . 1 . 2]" 1
54 1 5 ILE HB 1 53 SER QB . . 5.340 4.754 4.434 5.420 0.080 9 0 "[ . 1 . 2]" 1
55 1 5 ILE MD 1 40 PHE QE . . 3.950 2.958 2.155 3.636 . 0 0 "[ . 1 . 2]" 1
56 1 5 ILE MD 1 40 PHE HZ . . 3.960 3.775 2.323 4.061 0.101 10 0 "[ . 1 . 2]" 1
57 1 5 ILE MD 1 49 ASN HB2 . . 5.110 3.532 2.514 5.187 0.077 14 0 "[ . 1 . 2]" 1
58 1 5 ILE MD 1 49 ASN QB . . 4.310 2.883 2.060 4.197 . 0 0 "[ . 1 . 2]" 1
59 1 5 ILE MD 1 49 ASN HB3 . . 5.110 3.091 2.118 4.597 . 0 0 "[ . 1 . 2]" 1
60 1 5 ILE MD 1 53 SER H . . 4.350 4.125 3.804 4.429 0.079 12 0 "[ . 1 . 2]" 1
61 1 5 ILE MD 1 53 SER QB . . 4.540 2.665 1.944 3.307 . 0 0 "[ . 1 . 2]" 1
62 1 5 ILE QG 1 6 SER H . . 4.920 4.191 3.968 4.516 . 0 0 "[ . 1 . 2]" 1
63 1 5 ILE QG 1 40 PHE QE . . 4.270 3.621 2.230 4.354 0.084 10 0 "[ . 1 . 2]" 1
64 1 5 ILE QG 1 40 PHE HZ . . 4.130 3.499 2.414 4.227 0.097 14 0 "[ . 1 . 2]" 1
65 1 5 ILE QG 1 53 SER QB . . 5.180 2.495 2.041 3.907 . 0 0 "[ . 1 . 2]" 1
66 1 5 ILE MG 1 6 SER H . . 4.000 3.343 2.881 3.726 . 0 0 "[ . 1 . 2]" 1
67 1 5 ILE MG 1 6 SER HA . . 4.360 3.461 3.166 3.868 . 0 0 "[ . 1 . 2]" 1
68 1 5 ILE MG 1 7 ASP H . . 5.120 5.031 4.812 5.204 0.084 19 0 "[ . 1 . 2]" 1
69 1 5 ILE MG 1 9 ARG H . . 5.500 4.030 3.729 4.348 . 0 0 "[ . 1 . 2]" 1
70 1 5 ILE MG 1 40 PHE QE . . 4.190 2.555 2.287 2.962 . 0 0 "[ . 1 . 2]" 1
71 1 5 ILE MG 1 40 PHE HZ . . 3.770 2.300 2.073 2.800 . 0 0 "[ . 1 . 2]" 1
72 1 5 ILE MG 1 53 SER HB2 . . 5.200 3.944 2.986 5.236 0.036 16 0 "[ . 1 . 2]" 1
73 1 5 ILE MG 1 53 SER QB . . 4.350 3.012 2.204 3.893 . 0 0 "[ . 1 . 2]" 1
74 1 5 ILE MG 1 53 SER HB3 . . 5.200 3.193 2.239 4.960 . 0 0 "[ . 1 . 2]" 1
75 1 6 SER H 1 6 SER QB . . 3.300 2.348 2.046 2.756 . 0 0 "[ . 1 . 2]" 1
76 1 6 SER H 1 7 ASP H . . 4.510 2.845 2.658 2.989 . 0 0 "[ . 1 . 2]" 1
77 1 6 SER H 1 8 ILE MD . . 5.460 5.044 4.810 5.156 . 0 0 "[ . 1 . 2]" 1
78 1 6 SER HA 1 8 ILE H . . 5.500 4.537 4.260 4.834 . 0 0 "[ . 1 . 2]" 1
79 1 6 SER HA 1 9 ARG H . . 4.100 3.871 3.549 4.149 0.049 16 0 "[ . 1 . 2]" 1
80 1 6 SER HA 1 9 ARG QB . . 4.920 4.358 3.925 4.727 . 0 0 "[ . 1 . 2]" 1
81 1 6 SER HA 1 9 ARG QD . . 4.080 3.297 2.510 3.967 . 0 0 "[ . 1 . 2]" 1
82 1 6 SER HA 1 9 ARG HG2 . . 4.220 2.397 2.172 2.731 . 0 0 "[ . 1 . 2]" 1
83 1 6 SER HA 1 9 ARG HG3 . . 4.690 3.407 2.884 3.863 . 0 0 "[ . 1 . 2]" 1
84 1 6 SER QB 1 7 ASP H . . 3.690 2.865 2.413 3.666 . 0 0 "[ . 1 . 2]" 1
85 1 7 ASP H 1 7 ASP QB . . 3.100 2.334 2.160 2.627 . 0 0 "[ . 1 . 2]" 1
86 1 7 ASP H 1 8 ILE H . . 3.510 2.514 2.327 2.743 . 0 0 "[ . 1 . 2]" 1
87 1 7 ASP H 1 8 ILE HB . . 4.840 4.645 4.310 4.895 0.055 8 0 "[ . 1 . 2]" 1
88 1 7 ASP H 1 8 ILE QG . . 5.340 4.061 3.588 4.396 . 0 0 "[ . 1 . 2]" 1
89 1 7 ASP H 1 9 ARG HG2 . . 5.500 4.734 4.425 5.094 . 0 0 "[ . 1 . 2]" 1
90 1 7 ASP H 1 10 ALA MB . . 5.500 4.532 4.284 5.011 . 0 0 "[ . 1 . 2]" 1
91 1 7 ASP HA 1 9 ARG H . . 4.980 4.780 4.432 5.034 0.054 4 0 "[ . 1 . 2]" 1
92 1 7 ASP HA 1 10 ALA H . . 3.490 3.392 3.054 3.569 0.079 4 0 "[ . 1 . 2]" 1
93 1 7 ASP HA 1 10 ALA MB . . 3.300 2.393 2.119 2.752 . 0 0 "[ . 1 . 2]" 1
94 1 7 ASP HA 1 11 GLY H . . 4.730 4.430 3.894 4.794 0.064 15 0 "[ . 1 . 2]" 1
95 1 7 ASP QB 1 8 ILE H . . 3.190 2.583 2.304 2.836 . 0 0 "[ . 1 . 2]" 1
96 1 7 ASP QB 1 8 ILE MD . . 5.340 4.484 4.135 4.776 . 0 0 "[ . 1 . 2]" 1
97 1 7 ASP HB2 1 8 ILE H . . 3.760 2.834 2.395 3.814 0.054 11 0 "[ . 1 . 2]" 1
98 1 7 ASP HB3 1 8 ILE H . . 3.760 3.439 2.334 3.824 0.064 15 0 "[ . 1 . 2]" 1
99 1 8 ILE H 1 8 ILE HB . . 2.910 2.473 2.304 2.624 . 0 0 "[ . 1 . 2]" 1
100 1 8 ILE H 1 8 ILE MD . . 3.610 3.411 3.269 3.522 . 0 0 "[ . 1 . 2]" 1
101 1 8 ILE H 1 8 ILE HG12 . . 3.750 3.526 3.255 3.675 . 0 0 "[ . 1 . 2]" 1
102 1 8 ILE H 1 8 ILE QG . . 3.110 2.147 1.915 2.296 . 0 0 "[ . 1 . 2]" 1
103 1 8 ILE H 1 8 ILE HG13 . . 3.750 2.166 1.928 2.320 . 0 0 "[ . 1 . 2]" 1
104 1 8 ILE H 1 8 ILE MG . . 3.780 3.795 3.755 3.832 0.052 1 0 "[ . 1 . 2]" 1
105 1 8 ILE H 1 9 ARG H . . 3.280 2.901 2.763 3.029 . 0 0 "[ . 1 . 2]" 1
106 1 8 ILE HA 1 8 ILE MD . . 4.250 3.898 3.797 3.932 . 0 0 "[ . 1 . 2]" 1
107 1 8 ILE HA 1 8 ILE HG12 . . 3.700 2.628 2.416 2.721 . 0 0 "[ . 1 . 2]" 1
108 1 8 ILE HA 1 8 ILE QG . . 3.240 2.434 2.262 2.552 . 0 0 "[ . 1 . 2]" 1
109 1 8 ILE HA 1 8 ILE HG13 . . 3.700 2.884 2.725 3.110 . 0 0 "[ . 1 . 2]" 1
110 1 8 ILE HA 1 8 ILE MG . . 3.100 2.537 2.431 2.716 . 0 0 "[ . 1 . 2]" 1
111 1 8 ILE HB 1 8 ILE MD . . 3.270 2.350 2.287 2.438 . 0 0 "[ . 1 . 2]" 1
112 1 8 ILE HB 1 9 ARG H . . 3.430 2.430 2.238 2.612 . 0 0 "[ . 1 . 2]" 1
113 1 8 ILE HB 1 40 PHE QE . . 4.380 3.158 2.607 3.735 . 0 0 "[ . 1 . 2]" 1
114 1 8 ILE HB 1 40 PHE HZ . . 4.130 2.947 2.639 3.257 . 0 0 "[ . 1 . 2]" 1
115 1 8 ILE MD 1 9 ARG H . . 4.990 4.370 4.152 4.627 . 0 0 "[ . 1 . 2]" 1
116 1 8 ILE MD 1 53 SER H . . 5.500 4.787 4.471 5.011 . 0 0 "[ . 1 . 2]" 1
117 1 8 ILE MD 1 53 SER HA . . 4.210 2.994 2.507 3.404 . 0 0 "[ . 1 . 2]" 1
118 1 8 ILE MD 1 53 SER QB . . 3.320 2.047 1.910 3.006 . 0 0 "[ . 1 . 2]" 1
119 1 8 ILE MD 1 56 LEU H . . 4.900 4.785 4.234 5.000 0.100 11 0 "[ . 1 . 2]" 1
120 1 8 ILE MD 1 57 GLN H . . 3.920 3.701 3.253 3.975 0.055 14 0 "[ . 1 . 2]" 1
121 1 8 ILE MD 1 57 GLN HG2 . . 3.370 2.174 2.084 2.353 . 0 0 "[ . 1 . 2]" 1
122 1 8 ILE MD 1 57 GLN HG3 . . 4.080 2.573 2.345 2.731 . 0 0 "[ . 1 . 2]" 1
123 1 8 ILE QG 1 8 ILE MG . . 3.320 2.267 2.222 2.323 . 0 0 "[ . 1 . 2]" 1
124 1 8 ILE QG 1 40 PHE HZ . . 5.340 4.632 4.104 4.952 . 0 0 "[ . 1 . 2]" 1
125 1 8 ILE QG 1 57 GLN QE . . 3.920 3.303 2.828 3.830 . 0 0 "[ . 1 . 2]" 1
126 1 8 ILE QG 1 57 GLN HG2 . . 3.460 2.508 2.309 2.642 . 0 0 "[ . 1 . 2]" 1
127 1 8 ILE QG 1 57 GLN HG3 . . 4.000 3.849 3.453 4.080 0.080 2 0 "[ . 1 . 2]" 1
128 1 8 ILE HG12 1 57 GLN HG2 . . 3.990 2.539 2.328 2.681 . 0 0 "[ . 1 . 2]" 1
129 1 8 ILE HG13 1 57 GLN HG2 . . 3.990 3.913 3.710 4.066 0.076 3 0 "[ . 1 . 2]" 1
130 1 8 ILE MG 1 9 ARG H . . 3.790 3.189 2.969 3.425 . 0 0 "[ . 1 . 2]" 1
131 1 8 ILE MG 1 40 PHE QD . . 4.390 4.152 3.751 4.481 0.091 20 0 "[ . 1 . 2]" 1
132 1 8 ILE MG 1 40 PHE QE . . 3.100 2.442 2.121 2.673 . 0 0 "[ . 1 . 2]" 1
133 1 8 ILE MG 1 40 PHE HZ . . 3.880 2.952 2.494 3.445 . 0 0 "[ . 1 . 2]" 1
134 1 8 ILE MG 1 53 SER HA . . 3.360 2.719 2.293 3.144 . 0 0 "[ . 1 . 2]" 1
135 1 8 ILE MG 1 53 SER QB . . 3.810 3.185 2.282 3.928 0.118 12 0 "[ . 1 . 2]" 1
136 1 8 ILE MG 1 56 LEU H . . 4.510 4.173 3.933 4.361 . 0 0 "[ . 1 . 2]" 1
137 1 8 ILE MG 1 56 LEU HA . . 5.500 4.398 4.183 4.693 . 0 0 "[ . 1 . 2]" 1
138 1 8 ILE MG 1 56 LEU HB2 . . 3.550 2.329 2.149 2.679 . 0 0 "[ . 1 . 2]" 1
139 1 8 ILE MG 1 56 LEU MD1 . . 3.650 2.501 2.026 3.271 . 0 0 "[ . 1 . 2]" 1
140 1 8 ILE MG 1 56 LEU MD2 . . 4.670 3.820 3.500 4.304 . 0 0 "[ . 1 . 2]" 1
141 1 8 ILE MG 1 57 GLN H . . 3.590 3.591 3.349 3.681 0.091 12 0 "[ . 1 . 2]" 1
142 1 8 ILE MG 1 57 GLN HG2 . . 3.640 3.033 2.642 3.621 . 0 0 "[ . 1 . 2]" 1
143 1 8 ILE MG 1 57 GLN HG3 . . 4.360 4.073 3.488 4.442 0.082 19 0 "[ . 1 . 2]" 1
144 1 9 ARG H 1 9 ARG QB . . 3.370 2.601 2.348 2.818 . 0 0 "[ . 1 . 2]" 1
145 1 9 ARG H 1 9 ARG QD . . 4.490 3.932 3.511 4.391 . 0 0 "[ . 1 . 2]" 1
146 1 9 ARG H 1 9 ARG HG2 . . 3.160 2.272 2.048 2.535 . 0 0 "[ . 1 . 2]" 1
147 1 9 ARG H 1 9 ARG HG3 . . 3.700 3.358 2.895 3.754 0.054 2 0 "[ . 1 . 2]" 1
148 1 9 ARG H 1 10 ALA H . . 3.380 2.782 2.690 2.919 . 0 0 "[ . 1 . 2]" 1
149 1 9 ARG H 1 12 LEU MD1 . . 5.430 4.547 3.873 4.958 . 0 0 "[ . 1 . 2]" 1
150 1 9 ARG H 1 40 PHE QE . . 3.920 3.067 2.529 3.709 . 0 0 "[ . 1 . 2]" 1
151 1 9 ARG H 1 40 PHE HZ . . 4.830 4.027 3.600 4.376 . 0 0 "[ . 1 . 2]" 1
152 1 9 ARG H 1 56 LEU MD1 . . 5.500 4.926 4.653 5.482 . 0 0 "[ . 1 . 2]" 1
153 1 9 ARG HA 1 9 ARG QD . . 4.930 4.292 4.194 4.434 . 0 0 "[ . 1 . 2]" 1
154 1 9 ARG HA 1 9 ARG HG3 . . 3.850 3.791 3.702 3.884 0.034 16 0 "[ . 1 . 2]" 1
155 1 9 ARG HA 1 12 LEU H . . 3.850 3.446 3.252 3.686 . 0 0 "[ . 1 . 2]" 1
156 1 9 ARG HA 1 12 LEU HB2 . . 4.460 3.099 2.739 3.519 . 0 0 "[ . 1 . 2]" 1
157 1 9 ARG HA 1 12 LEU HB3 . . 5.230 4.588 4.308 4.940 . 0 0 "[ . 1 . 2]" 1
158 1 9 ARG HA 1 12 LEU MD1 . . 3.350 2.468 2.118 2.709 . 0 0 "[ . 1 . 2]" 1
159 1 9 ARG HA 1 12 LEU HG . . 5.500 2.933 2.376 3.721 . 0 0 "[ . 1 . 2]" 1
160 1 9 ARG HA 1 40 PHE QD . . 4.430 3.819 3.339 4.184 . 0 0 "[ . 1 . 2]" 1
161 1 9 ARG HA 1 40 PHE QE . . 3.760 3.086 2.599 3.392 . 0 0 "[ . 1 . 2]" 1
162 1 9 ARG HA 1 40 PHE HZ . . 5.410 5.331 4.702 5.487 0.077 17 0 "[ . 1 . 2]" 1
163 1 9 ARG HA 1 41 ILE HA . . 4.280 3.991 3.675 4.345 0.065 18 0 "[ . 1 . 2]" 1
164 1 9 ARG HA 1 41 ILE MD . . 4.490 3.990 3.505 4.299 . 0 0 "[ . 1 . 2]" 1
165 1 9 ARG HA 1 41 ILE HG12 . . 4.590 2.782 2.335 3.190 . 0 0 "[ . 1 . 2]" 1
166 1 9 ARG HA 1 41 ILE MG . . 4.720 3.902 3.310 4.415 . 0 0 "[ . 1 . 2]" 1
167 1 9 ARG QB 1 9 ARG QD . . 3.170 2.156 2.083 2.247 . 0 0 "[ . 1 . 2]" 1
168 1 9 ARG QB 1 9 ARG HE . . 4.710 3.718 2.403 4.222 . 0 0 "[ . 1 . 2]" 1
169 1 9 ARG QB 1 10 ALA H . . 4.380 3.623 3.447 3.766 . 0 0 "[ . 1 . 2]" 1
170 1 9 ARG QB 1 12 LEU MD1 . . 4.430 3.472 3.000 3.813 . 0 0 "[ . 1 . 2]" 1
171 1 9 ARG QB 1 40 PHE QE . . 4.160 2.528 2.220 3.030 . 0 0 "[ . 1 . 2]" 1
172 1 9 ARG QB 1 40 PHE HZ . . 4.850 4.130 3.286 4.460 . 0 0 "[ . 1 . 2]" 1
173 1 9 ARG QB 1 41 ILE HA . . 3.400 2.072 1.923 2.291 . 0 0 "[ . 1 . 2]" 1
174 1 9 ARG QB 1 41 ILE MG . . 4.710 2.489 2.159 3.350 . 0 0 "[ . 1 . 2]" 1
175 1 9 ARG QB 1 56 LEU MD1 . . 4.790 4.255 3.876 4.582 . 0 0 "[ . 1 . 2]" 1
176 1 9 ARG HB2 1 9 ARG QD . . 3.660 2.431 2.236 2.611 . 0 0 "[ . 1 . 2]" 1
177 1 9 ARG HB2 1 9 ARG HE . . 5.500 4.156 2.463 4.925 . 0 0 "[ . 1 . 2]" 1
178 1 9 ARG HB2 1 40 PHE QD . . 4.850 3.965 3.198 4.449 . 0 0 "[ . 1 . 2]" 1
179 1 9 ARG HB2 1 41 ILE HA . . 3.980 2.180 1.955 2.349 . 0 0 "[ . 1 . 2]" 1
180 1 9 ARG HB3 1 9 ARG QD . . 3.660 2.442 2.276 2.885 . 0 0 "[ . 1 . 2]" 1
181 1 9 ARG HB3 1 9 ARG HE . . 5.500 4.334 2.446 4.836 . 0 0 "[ . 1 . 2]" 1
182 1 9 ARG HB3 1 40 PHE QD . . 4.850 3.135 2.536 3.614 . 0 0 "[ . 1 . 2]" 1
183 1 9 ARG HB3 1 41 ILE HA . . 3.980 2.708 2.329 3.517 . 0 0 "[ . 1 . 2]" 1
184 1 9 ARG QD 1 10 ALA H . . 4.670 4.513 4.060 4.727 0.057 2 0 "[ . 1 . 2]" 1
185 1 9 ARG QD 1 41 ILE HA . . 3.830 2.537 2.016 3.033 . 0 0 "[ . 1 . 2]" 1
186 1 9 ARG QD 1 41 ILE MG . . 3.780 3.442 2.759 3.886 0.106 17 0 "[ . 1 . 2]" 1
187 1 9 ARG QD 1 43 ASP H . . 4.260 3.797 3.386 4.343 0.083 13 0 "[ . 1 . 2]" 1
188 1 9 ARG QD 1 43 ASP HA . . 5.400 4.394 3.572 5.460 0.060 8 0 "[ . 1 . 2]" 1
189 1 9 ARG HE 1 10 ALA MB . . 5.500 5.036 3.582 5.606 0.106 8 0 "[ . 1 . 2]" 1
190 1 9 ARG HG2 1 10 ALA H . . 3.280 2.995 2.487 3.355 0.075 10 0 "[ . 1 . 2]" 1
191 1 9 ARG HG2 1 40 PHE HZ . . 5.500 5.051 4.244 5.544 0.044 16 0 "[ . 1 . 2]" 1
192 1 9 ARG HG3 1 10 ALA H . . 3.340 2.660 2.216 3.135 . 0 0 "[ . 1 . 2]" 1
193 1 9 ARG HG3 1 10 ALA HA . . 4.720 3.571 3.253 3.853 . 0 0 "[ . 1 . 2]" 1
194 1 9 ARG HG3 1 41 ILE HA . . 4.670 4.159 3.296 4.583 . 0 0 "[ . 1 . 2]" 1
195 1 10 ALA H 1 10 ALA HA . . 2.870 2.829 2.786 2.878 0.008 2 0 "[ . 1 . 2]" 1
196 1 10 ALA H 1 10 ALA MB . . 2.430 2.230 2.123 2.273 . 0 0 "[ . 1 . 2]" 1
197 1 10 ALA H 1 11 GLY H . . 3.260 2.783 2.602 2.918 . 0 0 "[ . 1 . 2]" 1
198 1 10 ALA H 1 12 LEU MD1 . . 5.500 5.465 5.016 5.590 0.090 2 0 "[ . 1 . 2]" 1
199 1 10 ALA H 1 41 ILE MG . . 5.500 5.315 4.991 5.591 0.091 4 0 "[ . 1 . 2]" 1
200 1 10 ALA HA 1 13 ARG H . . 4.920 3.664 3.246 3.984 . 0 0 "[ . 1 . 2]" 1
201 1 10 ALA HA 1 13 ARG QB . . 3.970 3.678 3.189 4.055 0.085 1 0 "[ . 1 . 2]" 1
202 1 10 ALA HA 1 13 ARG QD . . 4.030 2.700 1.909 4.125 0.095 10 0 "[ . 1 . 2]" 1
203 1 10 ALA HA 1 13 ARG QG . . 3.180 2.502 2.068 3.238 0.058 6 0 "[ . 1 . 2]" 1
204 1 10 ALA MB 1 11 GLY H . . 3.060 2.827 2.370 3.144 0.084 7 0 "[ . 1 . 2]" 1
205 1 10 ALA MB 1 11 GLY HA2 . . 4.040 3.974 3.770 4.125 0.085 8 0 "[ . 1 . 2]" 1
206 1 10 ALA MB 1 12 LEU H . . 5.420 4.776 4.509 5.104 . 0 0 "[ . 1 . 2]" 1
207 1 11 GLY H 1 11 GLY HA2 . . 2.940 2.880 2.764 2.954 0.014 19 0 "[ . 1 . 2]" 1
208 1 11 GLY H 1 11 GLY HA3 . . 2.590 2.312 2.264 2.346 . 0 0 "[ . 1 . 2]" 1
209 1 11 GLY H 1 12 LEU H . . 3.520 2.562 2.243 2.846 . 0 0 "[ . 1 . 2]" 1
210 1 11 GLY H 1 12 LEU HB2 . . 5.030 4.874 4.205 5.112 0.082 3 0 "[ . 1 . 2]" 1
211 1 11 GLY H 1 12 LEU HG . . 5.020 4.100 3.567 4.383 . 0 0 "[ . 1 . 2]" 1
212 1 11 GLY H 1 60 LEU MD1 . . 5.080 3.889 3.319 4.538 . 0 0 "[ . 1 . 2]" 1
213 1 11 GLY H 1 60 LEU QD . . 4.460 3.695 3.279 4.203 . 0 0 "[ . 1 . 2]" 1
214 1 11 GLY H 1 60 LEU MD2 . . 5.080 4.791 4.149 5.187 0.107 4 0 "[ . 1 . 2]" 1
215 1 11 GLY HA2 1 13 ARG H . . 5.010 4.325 4.177 4.611 . 0 0 "[ . 1 . 2]" 1
216 1 11 GLY HA2 1 14 THR HB . . 4.820 3.397 2.662 4.467 . 0 0 "[ . 1 . 2]" 1
217 1 11 GLY HA2 1 60 LEU QD . . 5.090 3.921 3.304 4.452 . 0 0 "[ . 1 . 2]" 1
218 1 11 GLY HA3 1 12 LEU H . . 3.010 2.743 2.531 2.871 . 0 0 "[ . 1 . 2]" 1
219 1 11 GLY HA3 1 60 LEU QD . . 3.610 2.709 2.044 3.278 . 0 0 "[ . 1 . 2]" 1
220 1 12 LEU H 1 12 LEU HB2 . . 3.310 2.720 2.594 2.892 . 0 0 "[ . 1 . 2]" 1
221 1 12 LEU H 1 12 LEU HB3 . . 3.650 3.652 3.593 3.678 0.028 11 0 "[ . 1 . 2]" 1
222 1 12 LEU H 1 12 LEU MD1 . . 3.710 3.603 3.341 3.753 0.043 2 0 "[ . 1 . 2]" 1
223 1 12 LEU H 1 12 LEU MD2 . . 4.050 3.029 2.679 3.519 . 0 0 "[ . 1 . 2]" 1
224 1 12 LEU H 1 12 LEU HG . . 3.400 2.075 1.894 2.240 . 0 0 "[ . 1 . 2]" 1
225 1 12 LEU H 1 13 ARG H . . 3.030 2.861 2.733 2.982 . 0 0 "[ . 1 . 2]" 1
226 1 12 LEU H 1 13 ARG QB . . 5.130 5.093 4.897 5.213 0.083 9 0 "[ . 1 . 2]" 1
227 1 12 LEU H 1 13 ARG QG . . 5.340 4.294 3.921 4.620 . 0 0 "[ . 1 . 2]" 1
228 1 12 LEU H 1 15 LEU QD . . 4.930 4.320 3.708 4.712 . 0 0 "[ . 1 . 2]" 1
229 1 12 LEU H 1 60 LEU MD1 . . 4.580 3.190 2.506 3.746 . 0 0 "[ . 1 . 2]" 1
230 1 12 LEU H 1 60 LEU QD . . 3.630 3.027 2.486 3.467 . 0 0 "[ . 1 . 2]" 1
231 1 12 LEU H 1 60 LEU MD2 . . 4.580 4.072 3.468 4.671 0.091 9 0 "[ . 1 . 2]" 1
232 1 12 LEU HA 1 12 LEU MD2 . . 3.280 2.207 2.112 2.323 . 0 0 "[ . 1 . 2]" 1
233 1 12 LEU HA 1 14 THR H . . 4.350 4.410 4.332 4.430 0.080 3 0 "[ . 1 . 2]" 1
234 1 12 LEU HA 1 15 LEU H . . 3.820 3.302 3.076 3.465 . 0 0 "[ . 1 . 2]" 1
235 1 12 LEU HA 1 15 LEU HB2 . . 3.970 2.569 2.174 2.990 . 0 0 "[ . 1 . 2]" 1
236 1 12 LEU HA 1 15 LEU QD . . 3.390 2.751 2.314 3.304 . 0 0 "[ . 1 . 2]" 1
237 1 12 LEU HA 1 26 ILE MD . . 5.150 4.037 3.607 4.523 . 0 0 "[ . 1 . 2]" 1
238 1 12 LEU HA 1 59 TRP HZ3 . . 4.570 3.818 3.256 4.365 . 0 0 "[ . 1 . 2]" 1
239 1 12 LEU HA 1 60 LEU MD1 . . 5.310 4.088 3.086 4.685 . 0 0 "[ . 1 . 2]" 1
240 1 12 LEU HA 1 60 LEU QD . . 4.130 3.522 2.969 3.972 . 0 0 "[ . 1 . 2]" 1
241 1 12 LEU HA 1 60 LEU MD2 . . 5.310 4.038 3.360 4.947 . 0 0 "[ . 1 . 2]" 1
242 1 12 LEU HB2 1 12 LEU MD1 . . 3.160 2.360 2.298 2.477 . 0 0 "[ . 1 . 2]" 1
243 1 12 LEU HB2 1 12 LEU MD2 . . 3.340 3.242 3.215 3.269 . 0 0 "[ . 1 . 2]" 1
244 1 12 LEU HB2 1 13 ARG H . . 3.210 2.725 2.445 2.898 . 0 0 "[ . 1 . 2]" 1
245 1 12 LEU HB2 1 16 VAL H . . 5.500 5.579 5.574 5.588 0.088 18 0 "[ . 1 . 2]" 1
246 1 12 LEU HB2 1 16 VAL QG . . 4.930 4.296 4.107 4.458 . 0 0 "[ . 1 . 2]" 1
247 1 12 LEU HB2 1 41 ILE MG . . 4.900 3.709 3.352 4.159 . 0 0 "[ . 1 . 2]" 1
248 1 12 LEU HB3 1 12 LEU MD1 . . 3.230 2.414 2.244 2.557 . 0 0 "[ . 1 . 2]" 1
249 1 12 LEU HB3 1 13 ARG H . . 4.030 3.845 3.640 3.965 . 0 0 "[ . 1 . 2]" 1
250 1 12 LEU HB3 1 13 ARG HA . . 5.500 4.515 4.241 4.671 . 0 0 "[ . 1 . 2]" 1
251 1 12 LEU HB3 1 15 LEU H . . 5.500 5.190 4.952 5.427 . 0 0 "[ . 1 . 2]" 1
252 1 12 LEU HB3 1 26 ILE MD . . 3.990 3.054 2.540 3.631 . 0 0 "[ . 1 . 2]" 1
253 1 12 LEU HB3 1 26 ILE MG . . 4.730 4.305 3.809 4.808 0.078 6 0 "[ . 1 . 2]" 1
254 1 12 LEU HB3 1 37 ILE MG . . 3.970 3.848 3.534 4.057 0.087 4 0 "[ . 1 . 2]" 1
255 1 12 LEU HB3 1 41 ILE MD . . 3.470 2.533 2.166 2.856 . 0 0 "[ . 1 . 2]" 1
256 1 12 LEU MD1 1 13 ARG H . . 4.730 4.593 4.384 4.802 0.072 16 0 "[ . 1 . 2]" 1
257 1 12 LEU MD1 1 23 PHE QE . . 4.960 4.839 4.213 5.054 0.094 10 0 "[ . 1 . 2]" 1
258 1 12 LEU MD1 1 26 ILE MD . . 4.080 3.287 2.625 3.933 . 0 0 "[ . 1 . 2]" 1
259 1 12 LEU MD1 1 26 ILE MG . . 4.350 3.175 2.666 3.681 . 0 0 "[ . 1 . 2]" 1
260 1 12 LEU MD1 1 37 ILE MG . . 3.730 2.428 2.014 3.030 . 0 0 "[ . 1 . 2]" 1
261 1 12 LEU MD1 1 40 PHE HB3 . . 4.740 4.489 4.182 4.782 0.042 19 0 "[ . 1 . 2]" 1
262 1 12 LEU MD1 1 40 PHE QD . . 3.330 3.046 2.735 3.334 0.004 16 0 "[ . 1 . 2]" 1
263 1 12 LEU MD1 1 41 ILE HG12 . . 3.470 2.482 2.336 2.868 . 0 0 "[ . 1 . 2]" 1
264 1 12 LEU MD1 1 41 ILE HG13 . . 3.390 2.791 2.528 3.068 . 0 0 "[ . 1 . 2]" 1
265 1 12 LEU MD1 1 56 LEU HB2 . . 4.200 3.976 3.641 4.280 0.080 9 0 "[ . 1 . 2]" 1
266 1 12 LEU MD1 1 56 LEU MD1 . . 3.130 2.095 2.004 2.325 . 0 0 "[ . 1 . 2]" 1
267 1 12 LEU MD1 1 56 LEU MD2 . . 3.440 2.237 2.049 2.582 . 0 0 "[ . 1 . 2]" 1
268 1 12 LEU MD1 1 59 TRP HE3 . . 5.500 4.663 4.408 4.914 . 0 0 "[ . 1 . 2]" 1
269 1 12 LEU MD1 1 59 TRP HZ3 . . 4.540 4.505 4.233 4.630 0.090 11 0 "[ . 1 . 2]" 1
270 1 12 LEU MD2 1 15 LEU QD . . 3.670 3.080 2.140 3.834 0.164 2 0 "[ . 1 . 2]" 1
271 1 12 LEU MD2 1 26 ILE MD . . 3.270 2.722 2.206 3.269 . 0 0 "[ . 1 . 2]" 1
272 1 12 LEU MD2 1 26 ILE MG . . 3.760 2.891 2.339 3.574 . 0 0 "[ . 1 . 2]" 1
273 1 12 LEU MD2 1 56 LEU HB3 . . 3.470 3.229 2.753 3.548 0.078 12 0 "[ . 1 . 2]" 1
274 1 12 LEU MD2 1 56 LEU MD1 . . 3.950 3.729 3.285 4.035 0.085 16 0 "[ . 1 . 2]" 1
275 1 12 LEU MD2 1 56 LEU MD2 . . 3.530 2.783 2.204 3.451 . 0 0 "[ . 1 . 2]" 1
276 1 12 LEU MD2 1 59 TRP HE3 . . 3.330 2.878 2.475 3.122 . 0 0 "[ . 1 . 2]" 1
277 1 12 LEU MD2 1 59 TRP HZ3 . . 3.280 2.108 2.018 2.261 . 0 0 "[ . 1 . 2]" 1
278 1 12 LEU MD2 1 60 LEU H . . 4.990 4.601 4.041 5.058 0.068 8 0 "[ . 1 . 2]" 1
279 1 12 LEU HG 1 13 ARG H . . 4.350 4.267 3.959 4.424 0.074 8 0 "[ . 1 . 2]" 1
280 1 12 LEU HG 1 26 ILE MD . . 5.330 5.049 4.587 5.423 0.093 4 0 "[ . 1 . 2]" 1
281 1 12 LEU HG 1 60 LEU QD . . 3.140 2.741 2.275 3.230 0.090 20 0 "[ . 1 . 2]" 1
282 1 13 ARG H 1 13 ARG HA . . 2.930 2.861 2.808 2.906 . 0 0 "[ . 1 . 2]" 1
283 1 13 ARG H 1 13 ARG QB . . 2.730 2.591 2.426 2.715 . 0 0 "[ . 1 . 2]" 1
284 1 13 ARG H 1 13 ARG QD . . 4.040 3.802 3.061 4.126 0.086 4 0 "[ . 1 . 2]" 1
285 1 13 ARG H 1 13 ARG HG2 . . 3.710 2.571 2.046 3.488 . 0 0 "[ . 1 . 2]" 1
286 1 13 ARG H 1 13 ARG QG . . 3.230 2.190 1.905 2.424 . 0 0 "[ . 1 . 2]" 1
287 1 13 ARG H 1 13 ARG HG3 . . 3.710 2.997 1.921 3.775 0.065 10 0 "[ . 1 . 2]" 1
288 1 13 ARG H 1 14 THR H . . 3.080 2.741 2.453 2.942 . 0 0 "[ . 1 . 2]" 1
289 1 13 ARG H 1 15 LEU H . . 4.610 4.203 3.938 4.467 . 0 0 "[ . 1 . 2]" 1
290 1 13 ARG H 1 16 VAL MG1 . . 5.410 5.449 5.259 5.512 0.102 17 0 "[ . 1 . 2]" 1
291 1 13 ARG H 1 16 VAL QG . . 4.710 4.188 4.018 4.427 . 0 0 "[ . 1 . 2]" 1
292 1 13 ARG H 1 16 VAL MG2 . . 5.410 4.356 4.169 4.708 . 0 0 "[ . 1 . 2]" 1
293 1 13 ARG H 1 41 ILE MD . . 4.140 3.999 3.527 4.229 0.089 10 0 "[ . 1 . 2]" 1
294 1 13 ARG H 1 41 ILE HG12 . . 4.780 4.622 4.139 4.847 0.067 14 0 "[ . 1 . 2]" 1
295 1 13 ARG H 1 41 ILE MG . . 4.910 3.999 3.654 4.590 . 0 0 "[ . 1 . 2]" 1
296 1 13 ARG HA 1 13 ARG HG2 . . 3.940 3.305 2.505 3.912 . 0 0 "[ . 1 . 2]" 1
297 1 13 ARG HA 1 13 ARG HG3 . . 3.940 3.632 3.011 3.912 . 0 0 "[ . 1 . 2]" 1
298 1 13 ARG HA 1 14 THR H . . 3.560 3.601 3.547 3.625 0.065 19 0 "[ . 1 . 2]" 1
299 1 13 ARG HA 1 15 LEU H . . 5.110 4.493 4.324 4.817 . 0 0 "[ . 1 . 2]" 1
300 1 13 ARG HA 1 16 VAL QG . . 3.290 2.190 2.004 2.457 . 0 0 "[ . 1 . 2]" 1
301 1 13 ARG HA 1 17 GLU H . . 4.790 4.040 3.765 4.636 . 0 0 "[ . 1 . 2]" 1
302 1 13 ARG HA 1 41 ILE MD . . 4.670 3.736 3.151 4.121 . 0 0 "[ . 1 . 2]" 1
303 1 13 ARG HA 1 41 ILE MG . . 4.760 3.800 3.141 4.297 . 0 0 "[ . 1 . 2]" 1
304 1 13 ARG QB 1 13 ARG QD . . 3.290 2.245 2.050 2.461 . 0 0 "[ . 1 . 2]" 1
305 1 13 ARG QB 1 14 THR H . . 3.550 3.000 2.157 3.604 0.054 9 0 "[ . 1 . 2]" 1
306 1 13 ARG QD 1 14 THR H . . 4.680 4.401 3.882 4.772 0.092 13 0 "[ . 1 . 2]" 1
307 1 13 ARG QD 1 41 ILE MG . . 4.110 3.449 2.091 4.186 0.076 8 0 "[ . 1 . 2]" 1
308 1 13 ARG QG 1 14 THR H . . 3.740 2.895 1.994 3.838 0.098 2 0 "[ . 1 . 2]" 1
309 1 14 THR H 1 14 THR HB . . 2.720 2.593 2.180 2.799 0.079 13 0 "[ . 1 . 2]" 1
310 1 14 THR H 1 14 THR MG . . 3.830 3.686 3.597 3.791 . 0 0 "[ . 1 . 2]" 1
311 1 14 THR H 1 15 LEU H . . 3.230 2.777 2.592 3.022 . 0 0 "[ . 1 . 2]" 1
312 1 14 THR H 1 15 LEU QD . . 4.770 4.396 3.907 4.884 0.114 4 0 "[ . 1 . 2]" 1
313 1 14 THR H 1 16 VAL H . . 4.770 4.432 4.287 4.657 . 0 0 "[ . 1 . 2]" 1
314 1 14 THR H 1 16 VAL QG . . 5.030 4.445 4.339 4.580 . 0 0 "[ . 1 . 2]" 1
315 1 14 THR H 1 17 GLU QG . . 5.340 4.426 4.014 4.825 . 0 0 "[ . 1 . 2]" 1
316 1 14 THR HA 1 14 THR MG . . 3.240 2.378 2.210 2.661 . 0 0 "[ . 1 . 2]" 1
317 1 14 THR HA 1 16 VAL H . . 4.810 4.629 4.416 4.827 0.017 1 0 "[ . 1 . 2]" 1
318 1 14 THR HA 1 17 GLU H . . 4.480 3.571 3.390 3.720 . 0 0 "[ . 1 . 2]" 1
319 1 14 THR HA 1 17 GLU QB . . 3.110 2.475 2.188 2.987 . 0 0 "[ . 1 . 2]" 1
320 1 14 THR HA 1 17 GLU HG2 . . 4.290 4.175 3.529 4.356 0.066 2 0 "[ . 1 . 2]" 1
321 1 14 THR HA 1 17 GLU HG3 . . 4.290 3.258 2.551 3.841 . 0 0 "[ . 1 . 2]" 1
322 1 14 THR HA 1 18 ASN H . . 4.410 4.242 3.806 4.471 0.061 5 0 "[ . 1 . 2]" 1
323 1 14 THR HB 1 15 LEU H . . 3.240 2.575 2.343 2.739 . 0 0 "[ . 1 . 2]" 1
324 1 14 THR HB 1 15 LEU HB2 . . 5.010 4.708 4.213 5.082 0.072 9 0 "[ . 1 . 2]" 1
325 1 14 THR HB 1 15 LEU QD . . 4.390 3.206 2.563 4.192 . 0 0 "[ . 1 . 2]" 1
326 1 14 THR HB 1 16 VAL H . . 5.400 5.246 5.021 5.427 0.027 20 0 "[ . 1 . 2]" 1
327 1 14 THR MG 1 15 LEU H . . 3.770 3.651 3.207 3.859 0.089 16 0 "[ . 1 . 2]" 1
328 1 14 THR MG 1 15 LEU HA . . 4.390 3.886 3.355 4.218 . 0 0 "[ . 1 . 2]" 1
329 1 14 THR MG 1 15 LEU QD . . 4.060 3.426 2.850 4.037 . 0 0 "[ . 1 . 2]" 1
330 1 14 THR MG 1 16 VAL H . . 5.440 5.410 5.229 5.530 0.090 3 0 "[ . 1 . 2]" 1
331 1 14 THR MG 1 18 ASN H . . 4.610 4.467 4.155 4.699 0.089 5 0 "[ . 1 . 2]" 1
332 1 14 THR MG 1 18 ASN HB2 . . 4.430 3.907 3.562 4.338 . 0 0 "[ . 1 . 2]" 1
333 1 14 THR MG 1 18 ASN HB3 . . 5.500 4.976 4.572 5.476 . 0 0 "[ . 1 . 2]" 1
334 1 14 THR MG 1 18 ASN HD21 . . 3.750 2.669 2.305 3.770 0.020 6 0 "[ . 1 . 2]" 1
335 1 14 THR MG 1 18 ASN QD . . 3.220 2.398 2.101 3.017 . 0 0 "[ . 1 . 2]" 1
336 1 14 THR MG 1 18 ASN HD22 . . 3.750 2.755 2.411 3.456 . 0 0 "[ . 1 . 2]" 1
337 1 15 LEU H 1 15 LEU HB2 . . 2.830 2.317 1.963 2.562 . 0 0 "[ . 1 . 2]" 1
338 1 15 LEU H 1 15 LEU HB3 . . 3.650 3.540 3.194 3.680 0.030 16 0 "[ . 1 . 2]" 1
339 1 15 LEU H 1 15 LEU MD1 . . 3.900 3.650 2.471 3.993 0.093 18 0 "[ . 1 . 2]" 1
340 1 15 LEU H 1 15 LEU QD . . 3.420 2.644 2.155 3.236 . 0 0 "[ . 1 . 2]" 1
341 1 15 LEU H 1 15 LEU MD2 . . 3.900 2.884 2.166 3.707 . 0 0 "[ . 1 . 2]" 1
342 1 15 LEU H 1 16 VAL H . . 3.150 2.904 2.773 2.985 . 0 0 "[ . 1 . 2]" 1
343 1 15 LEU H 1 17 GLU H . . 5.100 4.199 4.049 4.483 . 0 0 "[ . 1 . 2]" 1
344 1 15 LEU H 1 21 THR MG . . 5.480 4.849 4.210 5.465 . 0 0 "[ . 1 . 2]" 1
345 1 15 LEU HA 1 15 LEU MD1 . . 4.020 2.747 2.053 3.878 . 0 0 "[ . 1 . 2]" 1
346 1 15 LEU HA 1 15 LEU QD . . 2.880 2.074 1.996 2.144 . 0 0 "[ . 1 . 2]" 1
347 1 15 LEU HA 1 15 LEU MD2 . . 4.020 2.578 2.065 3.815 . 0 0 "[ . 1 . 2]" 1
348 1 15 LEU HA 1 18 ASN H . . 4.130 3.768 3.464 3.960 . 0 0 "[ . 1 . 2]" 1
349 1 15 LEU HA 1 18 ASN HB2 . . 4.310 3.393 2.891 3.868 . 0 0 "[ . 1 . 2]" 1
350 1 15 LEU HA 1 18 ASN HB3 . . 5.500 5.006 4.427 5.556 0.056 8 0 "[ . 1 . 2]" 1
351 1 15 LEU HA 1 21 THR H . . 5.370 4.592 4.123 5.006 . 0 0 "[ . 1 . 2]" 1
352 1 15 LEU HA 1 21 THR MG . . 4.420 3.959 3.725 4.318 . 0 0 "[ . 1 . 2]" 1
353 1 15 LEU HA 1 63 TYR QE . . 5.500 5.483 5.131 5.589 0.089 2 0 "[ . 1 . 2]" 1
354 1 15 LEU HB2 1 16 VAL H . . 3.060 2.793 2.559 3.119 0.059 6 0 "[ . 1 . 2]" 1
355 1 15 LEU HB2 1 21 THR MG . . 3.700 3.099 2.218 3.786 0.086 12 0 "[ . 1 . 2]" 1
356 1 15 LEU HB2 1 26 ILE MD . . 4.870 3.997 3.537 4.523 . 0 0 "[ . 1 . 2]" 1
357 1 15 LEU HB3 1 15 LEU MD1 . . 3.410 2.526 2.296 3.274 . 0 0 "[ . 1 . 2]" 1
358 1 15 LEU HB3 1 15 LEU MD2 . . 3.410 2.847 2.361 3.260 . 0 0 "[ . 1 . 2]" 1
359 1 15 LEU HB3 1 16 VAL H . . 3.640 3.375 2.639 3.684 0.044 5 0 "[ . 1 . 2]" 1
360 1 15 LEU HB3 1 16 VAL QG . . 3.900 3.561 2.857 3.972 0.072 5 0 "[ . 1 . 2]" 1
361 1 15 LEU HB3 1 20 GLU H . . 4.770 4.513 4.169 4.837 0.067 7 0 "[ . 1 . 2]" 1
362 1 15 LEU HB3 1 20 GLU QB . . 3.350 2.719 2.179 3.383 0.033 7 0 "[ . 1 . 2]" 1
363 1 15 LEU HB3 1 21 THR H . . 5.140 3.819 3.249 4.455 . 0 0 "[ . 1 . 2]" 1
364 1 15 LEU HB3 1 21 THR MG . . 3.350 2.138 1.999 2.443 . 0 0 "[ . 1 . 2]" 1
365 1 15 LEU QD 1 16 VAL H . . 4.730 4.110 3.954 4.241 . 0 0 "[ . 1 . 2]" 1
366 1 15 LEU QD 1 20 GLU H . . 4.590 4.219 3.914 4.612 0.022 12 0 "[ . 1 . 2]" 1
367 1 15 LEU QD 1 20 GLU QB . . 3.080 2.149 1.897 2.942 . 0 0 "[ . 1 . 2]" 1
368 1 15 LEU QD 1 20 GLU HG2 . . 3.730 3.685 3.480 3.837 0.107 12 0 "[ . 1 . 2]" 1
369 1 15 LEU QD 1 20 GLU HG3 . . 4.040 2.404 2.159 3.145 . 0 0 "[ . 1 . 2]" 1
370 1 15 LEU QD 1 21 THR MG . . 3.520 2.567 2.069 3.334 . 0 0 "[ . 1 . 2]" 1
371 1 15 LEU QD 1 26 ILE MG . . 5.440 5.042 4.236 5.541 0.101 19 0 "[ . 1 . 2]" 1
372 1 15 LEU QD 1 59 TRP HZ3 . . 3.840 2.968 2.174 3.976 0.136 2 0 "[ . 1 . 2]" 1
373 1 15 LEU QD 1 60 LEU QD . . 3.180 2.565 2.129 3.284 0.104 8 0 "[ . 1 . 2]" 1
374 1 15 LEU QD 1 63 TYR QD . . 3.800 2.297 2.020 2.992 . 0 0 "[ . 1 . 2]" 1
375 1 15 LEU QD 1 63 TYR QE . . 3.290 2.524 2.149 3.419 0.129 12 0 "[ . 1 . 2]" 1
376 1 15 LEU QD 1 64 HIS HD2 . . 4.910 3.672 2.963 4.481 . 0 0 "[ . 1 . 2]" 1
377 1 15 LEU MD1 1 20 GLU QB . . 3.750 2.629 1.902 3.733 . 0 0 "[ . 1 . 2]" 1
378 1 15 LEU MD1 1 20 GLU HG3 . . 5.450 3.230 2.178 5.021 . 0 0 "[ . 1 . 2]" 1
379 1 15 LEU MD1 1 59 TRP HH2 . . 4.130 2.992 1.976 4.234 0.104 12 0 "[ . 1 . 2]" 1
380 1 15 LEU MD1 1 63 TYR QD . . 4.410 2.454 2.036 3.543 . 0 0 "[ . 1 . 2]" 1
381 1 15 LEU MD1 1 63 TYR QE . . 4.410 2.709 2.156 3.963 . 0 0 "[ . 1 . 2]" 1
382 1 15 LEU MD2 1 20 GLU QB . . 3.750 3.258 2.088 3.877 0.127 19 0 "[ . 1 . 2]" 1
383 1 15 LEU MD2 1 20 GLU HG3 . . 5.450 3.434 2.273 4.867 . 0 0 "[ . 1 . 2]" 1
384 1 15 LEU MD2 1 59 TRP HH2 . . 4.130 3.784 1.965 4.215 0.085 9 0 "[ . 1 . 2]" 1
385 1 15 LEU MD2 1 63 TYR QD . . 4.410 3.111 2.324 3.672 . 0 0 "[ . 1 . 2]" 1
386 1 15 LEU MD2 1 63 TYR QE . . 4.410 3.817 2.732 4.530 0.120 17 0 "[ . 1 . 2]" 1
387 1 15 LEU HG 1 21 THR HB . . 5.500 5.152 3.573 5.575 0.075 5 0 "[ . 1 . 2]" 1
388 1 15 LEU HG 1 21 THR MG . . 3.980 3.485 2.241 4.092 0.112 3 0 "[ . 1 . 2]" 1
389 1 15 LEU HG 1 59 TRP HH2 . . 4.490 3.334 2.198 4.572 0.082 9 0 "[ . 1 . 2]" 1
390 1 16 VAL H 1 16 VAL MG1 . . 3.630 2.439 2.273 2.643 . 0 0 "[ . 1 . 2]" 1
391 1 16 VAL H 1 16 VAL QG . . 2.970 2.007 1.927 2.070 . 0 0 "[ . 1 . 2]" 1
392 1 16 VAL H 1 16 VAL MG2 . . 3.630 2.143 2.043 2.263 . 0 0 "[ . 1 . 2]" 1
393 1 16 VAL H 1 17 GLU H . . 3.230 2.610 2.456 2.698 . 0 0 "[ . 1 . 2]" 1
394 1 16 VAL H 1 17 GLU QB . . 4.420 4.457 4.277 4.509 0.089 6 0 "[ . 1 . 2]" 1
395 1 16 VAL H 1 17 GLU HG2 . . 5.500 4.626 4.043 4.983 . 0 0 "[ . 1 . 2]" 1
396 1 16 VAL H 1 17 GLU QG . . 4.780 4.374 3.952 4.647 . 0 0 "[ . 1 . 2]" 1
397 1 16 VAL H 1 17 GLU HG3 . . 5.500 5.432 5.048 5.583 0.083 15 0 "[ . 1 . 2]" 1
398 1 16 VAL H 1 18 ASN H . . 4.320 4.165 4.021 4.289 . 0 0 "[ . 1 . 2]" 1
399 1 16 VAL H 1 20 GLU HG3 . . 5.500 5.500 5.061 5.583 0.083 1 0 "[ . 1 . 2]" 1
400 1 16 VAL H 1 21 THR MG . . 4.740 3.902 2.967 4.633 . 0 0 "[ . 1 . 2]" 1
401 1 16 VAL H 1 26 ILE MD . . 5.500 4.441 3.900 4.877 . 0 0 "[ . 1 . 2]" 1
402 1 16 VAL HA 1 16 VAL QG . . 2.950 2.236 2.171 2.309 . 0 0 "[ . 1 . 2]" 1
403 1 16 VAL HA 1 18 ASN H . . 4.440 4.033 3.846 4.416 . 0 0 "[ . 1 . 2]" 1
404 1 16 VAL HA 1 19 GLU H . . 3.820 3.365 3.119 3.630 . 0 0 "[ . 1 . 2]" 1
405 1 16 VAL HA 1 20 GLU H . . 4.510 3.809 3.541 4.143 . 0 0 "[ . 1 . 2]" 1
406 1 16 VAL HA 1 21 THR H . . 3.930 3.280 2.879 3.942 0.012 6 0 "[ . 1 . 2]" 1
407 1 16 VAL HA 1 21 THR MG . . 3.940 3.463 2.744 4.059 0.119 19 0 "[ . 1 . 2]" 1
408 1 16 VAL HA 1 22 THR MG . . 5.500 5.356 4.662 5.599 0.099 2 0 "[ . 1 . 2]" 1
409 1 16 VAL HA 1 26 ILE MD . . 4.890 4.692 4.188 4.991 0.101 5 0 "[ . 1 . 2]" 1
410 1 16 VAL HB 1 17 GLU H . . 4.030 3.963 3.753 4.090 0.060 6 0 "[ . 1 . 2]" 1
411 1 16 VAL HB 1 23 PHE QE . . 4.580 4.101 3.087 4.654 0.074 9 0 "[ . 1 . 2]" 1
412 1 16 VAL QG 1 17 GLU HA . . 4.430 3.541 3.403 3.742 . 0 0 "[ . 1 . 2]" 1
413 1 16 VAL QG 1 17 GLU QB . . 5.280 3.877 3.785 4.101 . 0 0 "[ . 1 . 2]" 1
414 1 16 VAL QG 1 17 GLU QG . . 4.500 2.669 2.449 2.939 . 0 0 "[ . 1 . 2]" 1
415 1 16 VAL QG 1 18 ASN H . . 4.480 4.346 4.221 4.549 0.069 13 0 "[ . 1 . 2]" 1
416 1 16 VAL QG 1 19 GLU H . . 5.030 4.504 4.347 4.666 . 0 0 "[ . 1 . 2]" 1
417 1 16 VAL QG 1 20 GLU H . . 5.170 4.916 4.673 5.209 0.039 19 0 "[ . 1 . 2]" 1
418 1 16 VAL QG 1 21 THR H . . 4.260 3.926 3.633 4.348 0.088 6 0 "[ . 1 . 2]" 1
419 1 16 VAL QG 1 21 THR MG . . 3.650 2.636 1.976 3.538 . 0 0 "[ . 1 . 2]" 1
420 1 16 VAL QG 1 22 THR H . . 5.440 4.310 3.579 5.206 . 0 0 "[ . 1 . 2]" 1
421 1 16 VAL QG 1 22 THR HA . . 4.290 2.921 2.472 3.498 . 0 0 "[ . 1 . 2]" 1
422 1 16 VAL QG 1 22 THR MG . . 5.220 4.202 3.822 4.716 . 0 0 "[ . 1 . 2]" 1
423 1 16 VAL QG 1 23 PHE H . . 5.290 3.411 2.963 3.741 . 0 0 "[ . 1 . 2]" 1
424 1 16 VAL QG 1 23 PHE HA . . 4.750 3.701 3.287 4.242 . 0 0 "[ . 1 . 2]" 1
425 1 16 VAL QG 1 23 PHE QE . . 3.310 2.894 2.198 3.380 0.070 1 0 "[ . 1 . 2]" 1
426 1 16 VAL QG 1 23 PHE HZ . . 3.680 2.972 2.446 3.394 . 0 0 "[ . 1 . 2]" 1
427 1 16 VAL QG 1 26 ILE MD . . 3.120 2.355 2.113 2.776 . 0 0 "[ . 1 . 2]" 1
428 1 16 VAL QG 1 26 ILE MG . . 5.440 4.692 4.394 5.071 . 0 0 "[ . 1 . 2]" 1
429 1 16 VAL QG 1 41 ILE MD . . 3.630 3.313 2.679 3.589 . 0 0 "[ . 1 . 2]" 1
430 1 16 VAL MG1 1 17 GLU H . . 4.230 4.143 4.069 4.221 . 0 0 "[ . 1 . 2]" 1
431 1 16 VAL MG1 1 23 PHE QE . . 3.920 3.271 2.279 3.879 . 0 0 "[ . 1 . 2]" 1
432 1 16 VAL MG1 1 23 PHE HZ . . 4.260 3.767 3.022 4.309 0.049 1 0 "[ . 1 . 2]" 1
433 1 16 VAL MG2 1 17 GLU H . . 4.230 2.498 2.309 2.735 . 0 0 "[ . 1 . 2]" 1
434 1 16 VAL MG2 1 23 PHE QE . . 3.920 3.283 2.293 3.753 . 0 0 "[ . 1 . 2]" 1
435 1 16 VAL MG2 1 23 PHE HZ . . 4.260 3.135 2.575 3.770 . 0 0 "[ . 1 . 2]" 1
436 1 17 GLU H 1 17 GLU HB2 . . 3.930 2.290 2.174 2.404 . 0 0 "[ . 1 . 2]" 1
437 1 17 GLU H 1 17 GLU QB . . 3.280 2.262 2.154 2.370 . 0 0 "[ . 1 . 2]" 1
438 1 17 GLU H 1 17 GLU HB3 . . 3.930 3.531 3.481 3.597 . 0 0 "[ . 1 . 2]" 1
439 1 17 GLU H 1 17 GLU HG2 . . 4.290 2.545 2.309 2.758 . 0 0 "[ . 1 . 2]" 1
440 1 17 GLU H 1 17 GLU QG . . 3.640 2.472 2.286 2.669 . 0 0 "[ . 1 . 2]" 1
441 1 17 GLU H 1 17 GLU HG3 . . 4.290 3.394 3.124 3.666 . 0 0 "[ . 1 . 2]" 1
442 1 17 GLU H 1 18 ASN H . . 3.260 2.656 2.410 2.756 . 0 0 "[ . 1 . 2]" 1
443 1 17 GLU H 1 19 GLU H . . 4.420 4.011 3.765 4.215 . 0 0 "[ . 1 . 2]" 1
444 1 17 GLU HA 1 17 GLU QG . . 3.510 2.627 2.473 3.021 . 0 0 "[ . 1 . 2]" 1
445 1 17 GLU QB 1 18 ASN H . . 3.170 2.767 2.517 2.933 . 0 0 "[ . 1 . 2]" 1
446 1 17 GLU QB 1 18 ASN QD . . 4.240 2.616 2.202 2.980 . 0 0 "[ . 1 . 2]" 1
447 1 17 GLU HB2 1 18 ASN H . . 3.670 2.864 2.577 3.065 . 0 0 "[ . 1 . 2]" 1
448 1 17 GLU HB3 1 18 ASN H . . 3.670 3.673 3.421 3.754 0.084 3 0 "[ . 1 . 2]" 1
449 1 17 GLU QG 1 18 ASN H . . 4.850 4.282 4.006 4.442 . 0 0 "[ . 1 . 2]" 1
450 1 17 GLU QG 1 18 ASN QD . . 5.180 4.255 3.816 4.591 . 0 0 "[ . 1 . 2]" 1
451 1 18 ASN H 1 18 ASN HB2 . . 2.820 2.430 2.208 2.621 . 0 0 "[ . 1 . 2]" 1
452 1 18 ASN H 1 18 ASN HB3 . . 3.800 3.649 3.513 3.769 . 0 0 "[ . 1 . 2]" 1
453 1 18 ASN H 1 18 ASN QD . . 4.620 2.542 2.047 2.951 . 0 0 "[ . 1 . 2]" 1
454 1 18 ASN H 1 19 GLU H . . 3.220 2.475 2.318 2.617 . 0 0 "[ . 1 . 2]" 1
455 1 18 ASN H 1 20 GLU H . . 4.370 3.497 3.325 3.714 . 0 0 "[ . 1 . 2]" 1
456 1 18 ASN H 1 20 GLU QB . . 4.740 4.713 4.458 4.825 0.085 13 0 "[ . 1 . 2]" 1
457 1 18 ASN H 1 20 GLU HG2 . . 4.280 3.963 3.208 4.363 0.083 16 0 "[ . 1 . 2]" 1
458 1 18 ASN H 1 20 GLU HG3 . . 4.240 4.081 3.143 4.314 0.074 10 0 "[ . 1 . 2]" 1
459 1 18 ASN HA 1 19 GLU H . . 3.520 3.202 3.014 3.362 . 0 0 "[ . 1 . 2]" 1
460 1 18 ASN HA 1 20 GLU H . . 4.750 4.475 4.279 4.794 0.044 8 0 "[ . 1 . 2]" 1
461 1 18 ASN HB2 1 19 GLU H . . 4.020 3.864 3.600 4.078 0.058 1 0 "[ . 1 . 2]" 1
462 1 18 ASN HB2 1 20 GLU H . . 4.670 3.304 2.989 3.657 . 0 0 "[ . 1 . 2]" 1
463 1 18 ASN HB2 1 20 GLU HG2 . . 4.290 2.357 2.085 2.729 . 0 0 "[ . 1 . 2]" 1
464 1 18 ASN HB2 1 20 GLU HG3 . . 4.270 2.542 2.086 3.005 . 0 0 "[ . 1 . 2]" 1
465 1 18 ASN HB3 1 19 GLU H . . 4.640 4.371 4.191 4.528 . 0 0 "[ . 1 . 2]" 1
466 1 18 ASN HB3 1 20 GLU H . . 5.050 3.929 3.314 4.615 . 0 0 "[ . 1 . 2]" 1
467 1 18 ASN HB3 1 20 GLU HG2 . . 4.140 2.723 2.251 3.295 . 0 0 "[ . 1 . 2]" 1
468 1 18 ASN HB3 1 20 GLU HG3 . . 4.640 3.607 2.979 4.379 . 0 0 "[ . 1 . 2]" 1
469 1 18 ASN QD 1 20 GLU HG3 . . 5.340 4.183 3.477 4.849 . 0 0 "[ . 1 . 2]" 1
470 1 19 GLU H 1 19 GLU HA . . 2.740 2.230 2.185 2.269 . 0 0 "[ . 1 . 2]" 1
471 1 19 GLU H 1 19 GLU QB . . 3.290 3.308 3.134 3.382 0.092 2 0 "[ . 1 . 2]" 1
472 1 19 GLU H 1 19 GLU QG . . 3.310 2.717 2.509 3.384 0.074 19 0 "[ . 1 . 2]" 1
473 1 19 GLU H 1 20 GLU H . . 3.270 2.797 2.669 2.903 . 0 0 "[ . 1 . 2]" 1
474 1 19 GLU H 1 21 THR H . . 5.150 4.371 4.036 4.664 . 0 0 "[ . 1 . 2]" 1
475 1 19 GLU HA 1 19 GLU QG . . 3.360 2.482 2.185 2.935 . 0 0 "[ . 1 . 2]" 1
476 1 19 GLU HA 1 20 GLU H . . 3.570 2.985 2.799 3.147 . 0 0 "[ . 1 . 2]" 1
477 1 19 GLU HA 1 21 THR H . . 4.270 3.310 2.919 3.754 . 0 0 "[ . 1 . 2]" 1
478 1 19 GLU QB 1 20 GLU H . . 4.510 3.787 3.651 3.963 . 0 0 "[ . 1 . 2]" 1
479 1 20 GLU H 1 20 GLU QB . . 3.220 2.496 2.356 2.672 . 0 0 "[ . 1 . 2]" 1
480 1 20 GLU H 1 20 GLU HG2 . . 3.430 2.158 1.794 2.801 . 0 0 "[ . 1 . 2]" 1
481 1 20 GLU H 1 20 GLU HG3 . . 4.060 2.992 2.186 3.265 . 0 0 "[ . 1 . 2]" 1
482 1 20 GLU H 1 21 THR H . . 3.200 2.645 2.344 2.991 . 0 0 "[ . 1 . 2]" 1
483 1 20 GLU H 1 21 THR MG . . 4.790 4.262 3.947 4.615 . 0 0 "[ . 1 . 2]" 1
484 1 20 GLU HA 1 20 GLU HG2 . . 3.210 2.857 2.579 3.247 0.037 11 0 "[ . 1 . 2]" 1
485 1 20 GLU HA 1 20 GLU HG3 . . 3.870 3.830 3.555 3.947 0.077 3 0 "[ . 1 . 2]" 1
486 1 20 GLU QB 1 21 THR H . . 3.910 2.764 2.450 3.097 . 0 0 "[ . 1 . 2]" 1
487 1 20 GLU HG2 1 21 THR H . . 4.480 4.378 4.132 4.550 0.070 13 0 "[ . 1 . 2]" 1
488 1 20 GLU HG2 1 21 THR MG . . 5.500 5.285 4.795 5.583 0.083 2 0 "[ . 1 . 2]" 1
489 1 20 GLU HG3 1 21 THR H . . 5.060 4.669 3.881 5.088 0.028 12 0 "[ . 1 . 2]" 1
490 1 20 GLU HG3 1 21 THR MG . . 5.040 4.827 4.519 5.116 0.076 2 0 "[ . 1 . 2]" 1
491 1 21 THR H 1 21 THR HB . . 4.190 3.290 3.036 3.544 . 0 0 "[ . 1 . 2]" 1
492 1 21 THR H 1 21 THR MG . . 3.820 2.566 2.405 2.763 . 0 0 "[ . 1 . 2]" 1
493 1 21 THR H 1 22 THR H . . 5.200 4.290 4.197 4.351 . 0 0 "[ . 1 . 2]" 1
494 1 21 THR HA 1 22 THR H . . 3.180 2.574 2.277 2.907 . 0 0 "[ . 1 . 2]" 1
495 1 21 THR HB 1 22 THR H . . 4.660 3.895 3.673 4.287 . 0 0 "[ . 1 . 2]" 1
496 1 21 THR HB 1 59 TRP HH2 . . 4.670 3.944 2.793 4.738 0.068 8 0 "[ . 1 . 2]" 1
497 1 21 THR HB 1 63 TYR QE . . 4.560 2.940 2.098 3.998 . 0 0 "[ . 1 . 2]" 1
498 1 21 THR MG 1 22 THR H . . 3.820 3.026 2.566 3.910 0.090 8 0 "[ . 1 . 2]" 1
499 1 21 THR MG 1 26 ILE H . . 4.380 4.018 3.554 4.447 0.067 4 0 "[ . 1 . 2]" 1
500 1 21 THR MG 1 26 ILE MD . . 3.100 2.209 1.992 3.170 0.070 19 0 "[ . 1 . 2]" 1
501 1 21 THR MG 1 26 ILE HG12 . . 3.990 2.598 2.336 3.131 . 0 0 "[ . 1 . 2]" 1
502 1 21 THR MG 1 26 ILE HG13 . . 3.480 2.492 2.120 2.846 . 0 0 "[ . 1 . 2]" 1
503 1 21 THR MG 1 59 TRP HH2 . . 3.340 2.324 2.159 3.063 . 0 0 "[ . 1 . 2]" 1
504 1 21 THR MG 1 59 TRP HZ2 . . 4.030 2.938 2.285 3.561 . 0 0 "[ . 1 . 2]" 1
505 1 21 THR MG 1 63 TYR QE . . 4.780 3.462 2.481 4.318 . 0 0 "[ . 1 . 2]" 1
506 1 22 THR H 1 22 THR MG . . 3.920 3.570 2.632 4.006 0.086 11 0 "[ . 1 . 2]" 1
507 1 22 THR H 1 25 GLN H . . 3.960 3.506 3.287 3.856 . 0 0 "[ . 1 . 2]" 1
508 1 22 THR H 1 25 GLN QB . . 3.160 2.313 1.796 2.872 . 0 0 "[ . 1 . 2]" 1
509 1 22 THR H 1 25 GLN HG2 . . 5.280 4.005 3.543 4.477 . 0 0 "[ . 1 . 2]" 1
510 1 22 THR H 1 25 GLN HG3 . . 5.280 4.622 3.777 5.340 0.060 19 0 "[ . 1 . 2]" 1
511 1 22 THR H 1 26 ILE H . . 5.150 3.661 3.072 4.832 . 0 0 "[ . 1 . 2]" 1
512 1 22 THR H 1 26 ILE HG13 . . 4.790 3.549 2.801 4.864 0.074 19 0 "[ . 1 . 2]" 1
513 1 22 THR HA 1 22 THR MG . . 3.110 2.318 2.178 2.465 . 0 0 "[ . 1 . 2]" 1
514 1 22 THR HA 1 24 LYS H . . 4.400 4.314 4.063 4.467 0.067 18 0 "[ . 1 . 2]" 1
515 1 22 THR HB 1 23 PHE H . . 4.710 3.211 2.343 4.055 . 0 0 "[ . 1 . 2]" 1
516 1 22 THR HB 1 24 LYS H . . 3.640 2.925 2.282 3.661 0.021 4 0 "[ . 1 . 2]" 1
517 1 22 THR HB 1 24 LYS QB . . 4.660 3.466 2.924 4.446 . 0 0 "[ . 1 . 2]" 1
518 1 22 THR HB 1 25 GLN H . . 3.950 2.991 2.402 3.462 . 0 0 "[ . 1 . 2]" 1
519 1 22 THR MG 1 23 PHE HB2 . . 4.830 4.111 3.250 4.940 0.110 1 0 "[ . 1 . 2]" 1
520 1 22 THR MG 1 24 LYS H . . 4.100 3.189 1.925 4.176 0.076 1 0 "[ . 1 . 2]" 1
521 1 22 THR MG 1 25 GLN H . . 4.270 3.935 3.026 4.375 0.105 12 0 "[ . 1 . 2]" 1
522 1 23 PHE HA 1 23 PHE QD . . 3.500 2.574 2.253 3.022 . 0 0 "[ . 1 . 2]" 1
523 1 23 PHE HA 1 23 PHE QE . . 5.100 4.452 4.230 4.711 . 0 0 "[ . 1 . 2]" 1
524 1 23 PHE HA 1 26 ILE H . . 3.810 3.557 3.370 3.818 0.008 5 0 "[ . 1 . 2]" 1
525 1 23 PHE HA 1 26 ILE MD . . 3.420 2.288 1.995 2.725 . 0 0 "[ . 1 . 2]" 1
526 1 23 PHE HA 1 26 ILE HG13 . . 5.080 3.485 2.738 4.098 . 0 0 "[ . 1 . 2]" 1
527 1 23 PHE HA 1 26 ILE MG . . 4.700 4.247 3.982 4.576 . 0 0 "[ . 1 . 2]" 1
528 1 23 PHE HA 1 27 ALA H . . 4.710 3.997 3.658 4.453 . 0 0 "[ . 1 . 2]" 1
529 1 23 PHE HA 1 37 ILE MD . . 3.970 3.698 3.061 4.067 0.097 19 0 "[ . 1 . 2]" 1
530 1 23 PHE HA 1 37 ILE MG . . 4.280 3.575 3.189 4.113 . 0 0 "[ . 1 . 2]" 1
531 1 23 PHE HB2 1 24 LYS H . . 4.020 2.807 2.585 3.045 . 0 0 "[ . 1 . 2]" 1
532 1 23 PHE HB2 1 34 THR HB . . 5.500 4.455 2.669 5.541 0.041 14 0 "[ . 1 . 2]" 1
533 1 23 PHE HB2 1 34 THR MG . . 5.280 3.915 2.378 4.530 . 0 0 "[ . 1 . 2]" 1
534 1 23 PHE HB3 1 24 LYS H . . 4.190 3.558 3.304 3.997 . 0 0 "[ . 1 . 2]" 1
535 1 23 PHE HB3 1 24 LYS HA . . 4.900 4.319 4.108 4.759 . 0 0 "[ . 1 . 2]" 1
536 1 23 PHE HB3 1 34 THR HA . . 4.390 3.703 2.740 4.470 0.080 14 0 "[ . 1 . 2]" 1
537 1 23 PHE HB3 1 34 THR HB . . 4.420 3.477 2.659 4.501 0.081 10 0 "[ . 1 . 2]" 1
538 1 23 PHE HB3 1 34 THR MG . . 3.720 3.188 2.039 3.739 0.019 12 0 "[ . 1 . 2]" 1
539 1 23 PHE HB3 1 37 ILE MD . . 4.940 4.142 3.137 4.800 . 0 0 "[ . 1 . 2]" 1
540 1 23 PHE HB3 1 38 SER H . . 5.500 4.913 3.884 5.509 0.009 19 0 "[ . 1 . 2]" 1
541 1 23 PHE QD 1 24 LYS H . . 5.500 4.504 4.249 4.724 . 0 0 "[ . 1 . 2]" 1
542 1 23 PHE QD 1 26 ILE MD . . 3.780 3.148 2.435 3.728 . 0 0 "[ . 1 . 2]" 1
543 1 23 PHE QD 1 26 ILE MG . . 5.220 4.616 4.322 4.906 . 0 0 "[ . 1 . 2]" 1
544 1 23 PHE QD 1 27 ALA MB . . 5.500 5.011 4.480 5.528 0.028 10 0 "[ . 1 . 2]" 1
545 1 23 PHE QD 1 34 THR MG . . 5.040 4.634 3.592 5.128 0.088 4 0 "[ . 1 . 2]" 1
546 1 23 PHE QD 1 37 ILE HB . . 4.490 3.007 2.275 3.932 . 0 0 "[ . 1 . 2]" 1
547 1 23 PHE QD 1 37 ILE MD . . 4.360 3.639 3.147 4.180 . 0 0 "[ . 1 . 2]" 1
548 1 23 PHE QD 1 37 ILE HG12 . . 5.500 5.225 4.804 5.595 0.095 13 0 "[ . 1 . 2]" 1
549 1 23 PHE QD 1 37 ILE MG . . 3.400 2.464 2.177 2.873 . 0 0 "[ . 1 . 2]" 1
550 1 23 PHE QD 1 38 SER HA . . 4.980 4.133 3.420 4.656 . 0 0 "[ . 1 . 2]" 1
551 1 23 PHE QD 1 38 SER HB2 . . 5.300 4.757 3.120 5.396 0.096 4 0 "[ . 1 . 2]" 1
552 1 23 PHE QD 1 38 SER QB . . 4.560 3.643 3.057 4.213 . 0 0 "[ . 1 . 2]" 1
553 1 23 PHE QD 1 38 SER HB3 . . 5.300 4.100 3.368 5.364 0.064 11 0 "[ . 1 . 2]" 1
554 1 23 PHE QD 1 41 ILE MD . . 4.050 3.755 3.227 4.040 . 0 0 "[ . 1 . 2]" 1
555 1 23 PHE QE 1 26 ILE MD . . 4.720 3.983 3.542 4.384 . 0 0 "[ . 1 . 2]" 1
556 1 23 PHE QE 1 37 ILE MG . . 3.980 2.638 2.189 4.030 0.050 13 0 "[ . 1 . 2]" 1
557 1 23 PHE QE 1 38 SER HA . . 4.240 2.757 2.150 3.832 . 0 0 "[ . 1 . 2]" 1
558 1 23 PHE QE 1 38 SER QB . . 4.300 3.312 2.622 4.095 . 0 0 "[ . 1 . 2]" 1
559 1 23 PHE QE 1 41 ILE HB . . 4.390 4.007 3.407 4.470 0.080 13 0 "[ . 1 . 2]" 1
560 1 23 PHE QE 1 41 ILE MD . . 3.520 2.191 2.040 2.534 . 0 0 "[ . 1 . 2]" 1
561 1 23 PHE QE 1 41 ILE HG13 . . 5.140 4.478 3.742 4.803 . 0 0 "[ . 1 . 2]" 1
562 1 23 PHE QE 1 41 ILE MG . . 5.290 4.152 3.447 4.584 . 0 0 "[ . 1 . 2]" 1
563 1 23 PHE HZ 1 26 ILE MD . . 5.470 5.296 4.821 5.555 0.085 13 0 "[ . 1 . 2]" 1
564 1 23 PHE HZ 1 38 SER HA . . 4.540 3.932 3.219 4.610 0.070 4 0 "[ . 1 . 2]" 1
565 1 23 PHE HZ 1 38 SER QB . . 4.620 3.979 3.208 4.690 0.070 10 0 "[ . 1 . 2]" 1
566 1 23 PHE HZ 1 41 ILE MD . . 3.830 3.382 2.373 3.912 0.082 13 0 "[ . 1 . 2]" 1
567 1 23 PHE HZ 1 41 ILE MG . . 5.120 4.192 3.295 5.001 . 0 0 "[ . 1 . 2]" 1
568 1 24 LYS H 1 24 LYS HB2 . . 3.580 2.573 2.177 3.638 0.058 11 0 "[ . 1 . 2]" 1
569 1 24 LYS H 1 24 LYS HB3 . . 3.580 3.113 2.376 3.618 0.038 6 0 "[ . 1 . 2]" 1
570 1 24 LYS H 1 24 LYS HG2 . . 4.880 3.559 1.945 4.572 . 0 0 "[ . 1 . 2]" 1
571 1 24 LYS H 1 24 LYS QG . . 4.250 2.893 1.929 4.007 . 0 0 "[ . 1 . 2]" 1
572 1 24 LYS H 1 24 LYS HG3 . . 4.880 3.369 2.242 4.514 . 0 0 "[ . 1 . 2]" 1
573 1 24 LYS H 1 25 GLN H . . 3.570 2.744 2.630 2.917 . 0 0 "[ . 1 . 2]" 1
574 1 24 LYS H 1 27 ALA MB . . 5.500 4.694 4.560 4.926 . 0 0 "[ . 1 . 2]" 1
575 1 24 LYS H 1 34 THR MG . . 4.640 3.683 2.858 4.059 . 0 0 "[ . 1 . 2]" 1
576 1 24 LYS HA 1 24 LYS QE . . 5.310 4.175 2.089 5.047 . 0 0 "[ . 1 . 2]" 1
577 1 24 LYS HA 1 24 LYS HG2 . . 3.950 2.846 2.272 3.823 . 0 0 "[ . 1 . 2]" 1
578 1 24 LYS HA 1 24 LYS QG . . 3.180 2.551 2.175 3.294 0.114 11 0 "[ . 1 . 2]" 1
579 1 24 LYS HA 1 24 LYS HG3 . . 3.950 3.093 2.337 3.878 . 0 0 "[ . 1 . 2]" 1
580 1 24 LYS HA 1 26 ILE H . . 5.440 4.662 4.393 4.959 . 0 0 "[ . 1 . 2]" 1
581 1 24 LYS HA 1 27 ALA MB . . 3.620 2.667 2.377 2.912 . 0 0 "[ . 1 . 2]" 1
582 1 24 LYS HA 1 34 THR HA . . 5.230 4.438 3.768 4.928 . 0 0 "[ . 1 . 2]" 1
583 1 24 LYS HA 1 34 THR MG . . 3.160 2.131 1.943 2.403 . 0 0 "[ . 1 . 2]" 1
584 1 24 LYS QB 1 25 GLN H . . 3.260 2.670 2.297 3.364 0.104 11 0 "[ . 1 . 2]" 1
585 1 24 LYS HB2 1 25 GLN H . . 3.880 3.181 2.340 3.943 0.063 18 0 "[ . 1 . 2]" 1
586 1 24 LYS HB3 1 25 GLN H . . 3.880 3.237 2.446 3.959 0.079 1 0 "[ . 1 . 2]" 1
587 1 24 LYS QE 1 34 THR MG . . 4.670 4.112 2.171 4.798 0.128 1 0 "[ . 1 . 2]" 1
588 1 24 LYS HG2 1 25 GLN H . . 5.050 4.332 2.342 5.109 0.059 6 0 "[ . 1 . 2]" 1
589 1 24 LYS HG3 1 25 GLN H . . 5.050 4.277 2.080 5.091 0.041 9 0 "[ . 1 . 2]" 1
590 1 25 GLN H 1 25 GLN QB . . 2.900 2.206 2.127 2.320 . 0 0 "[ . 1 . 2]" 1
591 1 25 GLN H 1 25 GLN HG2 . . 4.810 4.590 4.515 4.726 . 0 0 "[ . 1 . 2]" 1
592 1 25 GLN H 1 25 GLN QG . . 4.220 4.047 3.988 4.156 . 0 0 "[ . 1 . 2]" 1
593 1 25 GLN H 1 25 GLN HG3 . . 4.810 4.500 4.429 4.609 . 0 0 "[ . 1 . 2]" 1
594 1 25 GLN H 1 26 ILE HG13 . . 5.150 4.419 4.015 4.734 . 0 0 "[ . 1 . 2]" 1
595 1 25 GLN H 1 27 ALA H . . 4.680 4.230 4.063 4.383 . 0 0 "[ . 1 . 2]" 1
596 1 25 GLN H 1 27 ALA MB . . 5.500 4.800 4.631 4.980 . 0 0 "[ . 1 . 2]" 1
597 1 25 GLN HA 1 25 GLN QE . . 4.160 3.286 2.382 3.982 . 0 0 "[ . 1 . 2]" 1
598 1 25 GLN HA 1 25 GLN QG . . 3.560 2.894 2.503 3.087 . 0 0 "[ . 1 . 2]" 1
599 1 25 GLN HA 1 27 ALA H . . 5.310 4.490 4.353 4.649 . 0 0 "[ . 1 . 2]" 1
600 1 25 GLN HA 1 28 LEU H . . 3.890 3.350 3.145 3.643 . 0 0 "[ . 1 . 2]" 1
601 1 25 GLN HA 1 28 LEU HB2 . . 3.940 3.321 2.957 3.701 . 0 0 "[ . 1 . 2]" 1
602 1 25 GLN HA 1 28 LEU HB3 . . 3.570 2.643 2.404 3.131 . 0 0 "[ . 1 . 2]" 1
603 1 25 GLN HA 1 28 LEU QD . . 4.980 3.344 2.993 4.499 . 0 0 "[ . 1 . 2]" 1
604 1 25 GLN HA 1 29 GLU H . . 4.710 3.920 3.559 4.235 . 0 0 "[ . 1 . 2]" 1
605 1 25 GLN QB 1 26 ILE H . . 3.000 2.571 2.333 2.767 . 0 0 "[ . 1 . 2]" 1
606 1 25 GLN QB 1 26 ILE HA . . 4.410 4.184 3.941 4.351 . 0 0 "[ . 1 . 2]" 1
607 1 25 GLN QB 1 26 ILE HG13 . . 4.110 3.470 3.227 3.668 . 0 0 "[ . 1 . 2]" 1
608 1 25 GLN QE 1 28 LEU HB2 . . 5.220 4.695 3.905 5.300 0.080 16 0 "[ . 1 . 2]" 1
609 1 25 GLN QE 1 28 LEU QD . . 4.290 2.642 2.138 4.387 0.097 14 0 "[ . 1 . 2]" 1
610 1 25 GLN QE 1 29 GLU QG . . 3.820 2.213 1.627 3.465 . 0 0 "[ . 1 . 2]" 1
611 1 25 GLN QG 1 26 ILE H . . 4.190 3.798 3.613 4.063 . 0 0 "[ . 1 . 2]" 1
612 1 25 GLN QG 1 59 TRP HZ2 . . 4.540 4.161 3.548 4.622 0.082 4 0 "[ . 1 . 2]" 1
613 1 25 GLN QG 1 63 TYR QE . . 5.340 4.143 3.455 4.692 . 0 0 "[ . 1 . 2]" 1
614 1 25 GLN HG2 1 26 ILE H . . 5.000 4.778 4.200 4.947 . 0 0 "[ . 1 . 2]" 1
615 1 25 GLN HG2 1 59 TRP HZ2 . . 5.390 5.194 4.361 5.455 0.065 8 0 "[ . 1 . 2]" 1
616 1 25 GLN HG3 1 26 ILE H . . 5.000 3.995 3.754 4.327 . 0 0 "[ . 1 . 2]" 1
617 1 25 GLN HG3 1 59 TRP HZ2 . . 5.390 4.419 3.634 5.145 . 0 0 "[ . 1 . 2]" 1
618 1 26 ILE H 1 26 ILE HB . . 3.010 2.633 2.521 2.726 . 0 0 "[ . 1 . 2]" 1
619 1 26 ILE H 1 26 ILE MD . . 3.770 3.478 3.352 3.613 . 0 0 "[ . 1 . 2]" 1
620 1 26 ILE H 1 26 ILE HG12 . . 3.640 3.451 3.264 3.690 0.050 1 0 "[ . 1 . 2]" 1
621 1 26 ILE H 1 26 ILE HG13 . . 3.090 2.100 1.924 2.321 . 0 0 "[ . 1 . 2]" 1
622 1 26 ILE H 1 26 ILE MG . . 3.830 3.822 3.778 3.849 0.019 1 0 "[ . 1 . 2]" 1
623 1 26 ILE H 1 27 ALA H . . 3.290 2.820 2.747 2.931 . 0 0 "[ . 1 . 2]" 1
624 1 26 ILE H 1 27 ALA HA . . 5.500 5.430 5.357 5.526 0.026 7 0 "[ . 1 . 2]" 1
625 1 26 ILE H 1 27 ALA MB . . 4.590 4.402 4.309 4.502 . 0 0 "[ . 1 . 2]" 1
626 1 26 ILE H 1 37 ILE MD . . 4.400 4.318 4.042 4.487 0.087 20 0 "[ . 1 . 2]" 1
627 1 26 ILE H 1 37 ILE MG . . 5.500 5.269 4.938 5.577 0.077 13 0 "[ . 1 . 2]" 1
628 1 26 ILE HA 1 26 ILE MD . . 4.220 3.972 3.926 4.014 . 0 0 "[ . 1 . 2]" 1
629 1 26 ILE HA 1 26 ILE HG12 . . 3.610 2.761 2.641 2.859 . 0 0 "[ . 1 . 2]" 1
630 1 26 ILE HA 1 26 ILE HG13 . . 3.840 3.033 2.905 3.232 . 0 0 "[ . 1 . 2]" 1
631 1 26 ILE HA 1 26 ILE MG . . 3.190 2.395 2.306 2.457 . 0 0 "[ . 1 . 2]" 1
632 1 26 ILE HA 1 29 GLU H . . 4.200 3.743 3.626 4.055 . 0 0 "[ . 1 . 2]" 1
633 1 26 ILE HA 1 29 GLU HB2 . . 3.840 3.023 2.752 3.405 . 0 0 "[ . 1 . 2]" 1
634 1 26 ILE HA 1 29 GLU HB3 . . 5.100 4.661 4.275 5.123 0.023 19 0 "[ . 1 . 2]" 1
635 1 26 ILE HA 1 29 GLU QG . . 5.250 3.905 2.900 4.419 . 0 0 "[ . 1 . 2]" 1
636 1 26 ILE HA 1 30 SER H . . 4.360 3.867 3.656 4.178 . 0 0 "[ . 1 . 2]" 1
637 1 26 ILE HA 1 37 ILE MD . . 4.840 4.187 4.090 4.321 . 0 0 "[ . 1 . 2]" 1
638 1 26 ILE HA 1 59 TRP HE1 . . 4.180 3.267 2.728 3.703 . 0 0 "[ . 1 . 2]" 1
639 1 26 ILE HA 1 59 TRP HZ2 . . 4.320 3.310 2.759 3.932 . 0 0 "[ . 1 . 2]" 1
640 1 26 ILE HB 1 26 ILE MD . . 3.290 2.318 2.233 2.394 . 0 0 "[ . 1 . 2]" 1
641 1 26 ILE HB 1 27 ALA H . . 3.360 2.549 2.377 2.699 . 0 0 "[ . 1 . 2]" 1
642 1 26 ILE HB 1 28 LEU H . . 5.500 5.101 4.904 5.276 . 0 0 "[ . 1 . 2]" 1
643 1 26 ILE HB 1 37 ILE MD . . 3.240 2.272 2.123 2.453 . 0 0 "[ . 1 . 2]" 1
644 1 26 ILE HB 1 37 ILE MG . . 3.580 3.005 2.690 3.370 . 0 0 "[ . 1 . 2]" 1
645 1 26 ILE MD 1 26 ILE MG . . 2.940 2.100 2.049 2.232 . 0 0 "[ . 1 . 2]" 1
646 1 26 ILE MD 1 27 ALA H . . 4.780 4.384 4.148 4.624 . 0 0 "[ . 1 . 2]" 1
647 1 26 ILE MD 1 37 ILE MD . . 3.510 3.395 3.058 3.605 0.095 17 0 "[ . 1 . 2]" 1
648 1 26 ILE MD 1 37 ILE HG12 . . 5.020 4.621 4.086 5.087 0.067 17 0 "[ . 1 . 2]" 1
649 1 26 ILE MD 1 37 ILE MG . . 3.380 2.554 2.180 2.869 . 0 0 "[ . 1 . 2]" 1
650 1 26 ILE MD 1 41 ILE MD . . 4.040 3.502 2.957 3.909 . 0 0 "[ . 1 . 2]" 1
651 1 26 ILE MD 1 59 TRP HE3 . . 5.500 5.365 4.928 5.582 0.082 5 0 "[ . 1 . 2]" 1
652 1 26 ILE MD 1 59 TRP HH2 . . 4.710 3.608 3.291 3.927 . 0 0 "[ . 1 . 2]" 1
653 1 26 ILE MD 1 59 TRP HZ2 . . 4.720 4.280 3.891 4.645 . 0 0 "[ . 1 . 2]" 1
654 1 26 ILE MD 1 59 TRP HZ3 . . 4.580 4.314 3.899 4.601 0.021 12 0 "[ . 1 . 2]" 1
655 1 26 ILE HG12 1 26 ILE MG . . 3.410 2.315 2.238 2.372 . 0 0 "[ . 1 . 2]" 1
656 1 26 ILE HG12 1 27 ALA H . . 5.420 5.073 4.919 5.158 . 0 0 "[ . 1 . 2]" 1
657 1 26 ILE HG12 1 59 TRP HH2 . . 4.130 2.956 2.623 3.420 . 0 0 "[ . 1 . 2]" 1
658 1 26 ILE HG12 1 59 TRP HZ2 . . 4.110 2.775 2.323 3.165 . 0 0 "[ . 1 . 2]" 1
659 1 26 ILE HG13 1 26 ILE MG . . 3.650 3.215 3.181 3.238 . 0 0 "[ . 1 . 2]" 1
660 1 26 ILE HG13 1 27 ALA H . . 5.170 4.268 4.018 4.417 . 0 0 "[ . 1 . 2]" 1
661 1 26 ILE HG13 1 37 ILE MG . . 4.870 4.657 4.201 4.921 0.051 11 0 "[ . 1 . 2]" 1
662 1 26 ILE HG13 1 59 TRP HH2 . . 4.690 4.310 4.002 4.707 0.017 12 0 "[ . 1 . 2]" 1
663 1 26 ILE HG13 1 59 TRP HZ2 . . 4.660 3.753 3.371 4.176 . 0 0 "[ . 1 . 2]" 1
664 1 26 ILE MG 1 27 ALA H . . 3.870 3.491 3.313 3.577 . 0 0 "[ . 1 . 2]" 1
665 1 26 ILE MG 1 27 ALA HA . . 4.290 3.571 3.312 3.724 . 0 0 "[ . 1 . 2]" 1
666 1 26 ILE MG 1 27 ALA MB . . 5.320 4.169 3.964 4.331 . 0 0 "[ . 1 . 2]" 1
667 1 26 ILE MG 1 28 LEU H . . 5.200 5.164 4.952 5.292 0.092 11 0 "[ . 1 . 2]" 1
668 1 26 ILE MG 1 30 SER H . . 4.130 3.888 3.651 4.158 0.028 7 0 "[ . 1 . 2]" 1
669 1 26 ILE MG 1 30 SER HB2 . . 4.490 4.140 3.847 4.519 0.029 15 0 "[ . 1 . 2]" 1
670 1 26 ILE MG 1 30 SER HB3 . . 4.040 3.059 2.787 3.457 . 0 0 "[ . 1 . 2]" 1
671 1 26 ILE MG 1 30 SER HG . . 3.810 2.762 2.597 2.957 . 0 0 "[ . 1 . 2]" 1
672 1 26 ILE MG 1 32 LEU H . . 5.420 5.174 4.772 5.515 0.095 15 0 "[ . 1 . 2]" 1
673 1 26 ILE MG 1 32 LEU MD1 . . 4.430 3.772 3.154 4.173 . 0 0 "[ . 1 . 2]" 1
674 1 26 ILE MG 1 37 ILE MD . . 2.810 2.145 2.068 2.286 . 0 0 "[ . 1 . 2]" 1
675 1 26 ILE MG 1 37 ILE HG12 . . 4.180 2.932 2.489 3.621 . 0 0 "[ . 1 . 2]" 1
676 1 26 ILE MG 1 37 ILE HG13 . . 5.300 4.074 3.732 4.585 . 0 0 "[ . 1 . 2]" 1
677 1 26 ILE MG 1 37 ILE MG . . 3.480 2.424 2.244 2.707 . 0 0 "[ . 1 . 2]" 1
678 1 26 ILE MG 1 56 LEU HA . . 5.140 4.495 4.204 4.855 . 0 0 "[ . 1 . 2]" 1
679 1 26 ILE MG 1 56 LEU MD1 . . 4.470 4.317 3.557 4.572 0.102 19 0 "[ . 1 . 2]" 1
680 1 26 ILE MG 1 59 TRP HB2 . . 5.160 4.697 4.263 5.031 . 0 0 "[ . 1 . 2]" 1
681 1 26 ILE MG 1 59 TRP HB3 . . 4.880 4.263 3.929 4.550 . 0 0 "[ . 1 . 2]" 1
682 1 26 ILE MG 1 59 TRP HD1 . . 4.760 4.675 4.341 4.838 0.078 18 0 "[ . 1 . 2]" 1
683 1 26 ILE MG 1 59 TRP HE1 . . 4.460 4.177 3.640 4.531 0.071 6 0 "[ . 1 . 2]" 1
684 1 26 ILE MG 1 59 TRP HE3 . . 4.520 3.845 3.322 4.520 0.000 5 0 "[ . 1 . 2]" 1
685 1 26 ILE MG 1 59 TRP HH2 . . 5.490 4.010 3.565 4.743 . 0 0 "[ . 1 . 2]" 1
686 1 26 ILE MG 1 59 TRP HZ2 . . 4.660 3.735 3.373 4.374 . 0 0 "[ . 1 . 2]" 1
687 1 26 ILE MG 1 59 TRP HZ3 . . 5.080 4.057 3.443 4.743 . 0 0 "[ . 1 . 2]" 1
688 1 27 ALA H 1 27 ALA MB . . 2.950 2.178 2.136 2.222 . 0 0 "[ . 1 . 2]" 1
689 1 27 ALA H 1 28 LEU H . . 3.050 2.774 2.657 2.851 . 0 0 "[ . 1 . 2]" 1
690 1 27 ALA H 1 34 THR MG . . 4.520 3.670 3.475 4.176 . 0 0 "[ . 1 . 2]" 1
691 1 27 ALA H 1 37 ILE MD . . 3.430 2.713 2.523 2.824 . 0 0 "[ . 1 . 2]" 1
692 1 27 ALA HA 1 30 SER H . . 3.700 3.686 3.473 3.772 0.072 6 0 "[ . 1 . 2]" 1
693 1 27 ALA HA 1 30 SER HB3 . . 4.360 4.430 4.407 4.444 0.084 13 0 "[ . 1 . 2]" 1
694 1 27 ALA HA 1 30 SER HG . . 3.650 2.332 2.297 2.370 . 0 0 "[ . 1 . 2]" 1
695 1 27 ALA HA 1 32 LEU H . . 3.430 3.136 2.979 3.367 . 0 0 "[ . 1 . 2]" 1
696 1 27 ALA HA 1 32 LEU HB2 . . 4.390 2.993 2.622 3.467 . 0 0 "[ . 1 . 2]" 1
697 1 27 ALA HA 1 33 SER H . . 5.500 5.174 4.551 5.553 0.053 15 0 "[ . 1 . 2]" 1
698 1 27 ALA HA 1 37 ILE H . . 5.500 5.559 5.428 5.590 0.090 13 0 "[ . 1 . 2]" 1
699 1 27 ALA HA 1 37 ILE MD . . 3.160 2.021 1.951 2.074 . 0 0 "[ . 1 . 2]" 1
700 1 27 ALA MB 1 28 LEU H . . 3.030 2.484 2.291 2.741 . 0 0 "[ . 1 . 2]" 1
701 1 27 ALA MB 1 28 LEU HA . . 4.330 3.833 3.723 3.945 . 0 0 "[ . 1 . 2]" 1
702 1 27 ALA MB 1 29 GLU H . . 4.760 4.648 4.446 4.814 0.054 6 0 "[ . 1 . 2]" 1
703 1 27 ALA MB 1 30 SER H . . 5.040 4.806 4.644 4.915 . 0 0 "[ . 1 . 2]" 1
704 1 27 ALA MB 1 31 GLY H . . 5.500 4.626 4.410 4.773 . 0 0 "[ . 1 . 2]" 1
705 1 27 ALA MB 1 32 LEU H . . 4.200 4.151 3.794 4.280 0.080 14 0 "[ . 1 . 2]" 1
706 1 27 ALA MB 1 33 SER H . . 4.860 4.439 3.928 4.828 . 0 0 "[ . 1 . 2]" 1
707 1 27 ALA MB 1 33 SER HA . . 4.700 3.094 2.279 3.614 . 0 0 "[ . 1 . 2]" 1
708 1 27 ALA MB 1 34 THR HA . . 3.370 2.250 2.130 2.359 . 0 0 "[ . 1 . 2]" 1
709 1 27 ALA MB 1 34 THR MG . . 3.000 2.148 1.850 3.104 0.104 6 0 "[ . 1 . 2]" 1
710 1 27 ALA MB 1 37 ILE MD . . 2.880 2.107 2.029 2.260 . 0 0 "[ . 1 . 2]" 1
711 1 28 LEU H 1 28 LEU HB2 . . 2.980 2.419 2.227 2.549 . 0 0 "[ . 1 . 2]" 1
712 1 28 LEU H 1 28 LEU HB3 . . 2.930 2.535 2.333 2.841 . 0 0 "[ . 1 . 2]" 1
713 1 28 LEU H 1 28 LEU MD1 . . 4.930 4.087 3.884 4.383 . 0 0 "[ . 1 . 2]" 1
714 1 28 LEU H 1 28 LEU QD . . 3.860 3.679 3.561 3.768 . 0 0 "[ . 1 . 2]" 1
715 1 28 LEU H 1 28 LEU MD2 . . 4.930 4.189 3.834 4.304 . 0 0 "[ . 1 . 2]" 1
716 1 28 LEU H 1 29 GLU H . . 3.420 2.784 2.629 2.915 . 0 0 "[ . 1 . 2]" 1
717 1 28 LEU H 1 29 GLU HA . . 5.500 5.405 5.294 5.510 0.010 10 0 "[ . 1 . 2]" 1
718 1 28 LEU H 1 29 GLU QG . . 4.560 4.507 4.217 4.641 0.081 19 0 "[ . 1 . 2]" 1
719 1 28 LEU H 1 37 ILE MD . . 5.330 4.531 4.437 4.605 . 0 0 "[ . 1 . 2]" 1
720 1 28 LEU HA 1 28 LEU QD . . 3.340 2.178 2.024 2.927 . 0 0 "[ . 1 . 2]" 1
721 1 28 LEU HA 1 28 LEU HG . . 4.150 3.136 2.582 3.743 . 0 0 "[ . 1 . 2]" 1
722 1 28 LEU HA 1 30 SER H . . 4.800 4.755 4.400 4.870 0.070 12 0 "[ . 1 . 2]" 1
723 1 28 LEU HA 1 31 GLY H . . 4.460 3.882 3.515 4.240 . 0 0 "[ . 1 . 2]" 1
724 1 28 LEU HB2 1 29 GLU H . . 3.850 3.796 3.584 3.914 0.064 13 0 "[ . 1 . 2]" 1
725 1 28 LEU HB3 1 29 GLU H . . 3.170 2.484 2.195 2.724 . 0 0 "[ . 1 . 2]" 1
726 1 28 LEU HB3 1 29 GLU HA . . 4.680 4.328 4.004 4.482 . 0 0 "[ . 1 . 2]" 1
727 1 28 LEU HB3 1 29 GLU HB2 . . 4.850 4.583 4.254 4.836 . 0 0 "[ . 1 . 2]" 1
728 1 28 LEU HB3 1 29 GLU QG . . 4.760 3.119 2.881 3.480 . 0 0 "[ . 1 . 2]" 1
729 1 28 LEU QD 1 29 GLU H . . 4.630 3.806 2.947 4.063 . 0 0 "[ . 1 . 2]" 1
730 1 28 LEU MD1 1 29 GLU H . . 5.410 4.451 3.724 4.724 . 0 0 "[ . 1 . 2]" 1
731 1 28 LEU MD2 1 29 GLU H . . 5.410 4.186 3.018 4.791 . 0 0 "[ . 1 . 2]" 1
732 1 28 LEU HG 1 29 GLU HA . . 5.310 3.991 3.528 5.391 0.081 14 0 "[ . 1 . 2]" 1
733 1 29 GLU H 1 29 GLU HB2 . . 2.840 2.349 2.158 2.449 . 0 0 "[ . 1 . 2]" 1
734 1 29 GLU H 1 29 GLU HB3 . . 4.010 3.549 3.462 3.631 . 0 0 "[ . 1 . 2]" 1
735 1 29 GLU H 1 29 GLU QG . . 2.930 2.363 2.146 2.650 . 0 0 "[ . 1 . 2]" 1
736 1 29 GLU H 1 30 SER H . . 3.080 2.707 2.519 2.919 . 0 0 "[ . 1 . 2]" 1
737 1 29 GLU H 1 30 SER HB3 . . 5.340 5.146 4.913 5.364 0.024 20 0 "[ . 1 . 2]" 1
738 1 29 GLU H 1 30 SER HG . . 4.850 4.152 3.806 4.439 . 0 0 "[ . 1 . 2]" 1
739 1 29 GLU H 1 59 TRP HE1 . . 4.720 4.479 3.884 4.783 0.063 4 0 "[ . 1 . 2]" 1
740 1 29 GLU HA 1 29 GLU HG2 . . 3.860 2.722 2.253 3.193 . 0 0 "[ . 1 . 2]" 1
741 1 29 GLU HA 1 29 GLU QG . . 3.380 2.631 2.227 3.047 . 0 0 "[ . 1 . 2]" 1
742 1 29 GLU HA 1 29 GLU HG3 . . 3.860 3.537 2.908 3.867 0.007 7 0 "[ . 1 . 2]" 1
743 1 29 GLU HA 1 59 TRP HD1 . . 5.210 4.439 4.122 4.673 . 0 0 "[ . 1 . 2]" 1
744 1 29 GLU HA 1 59 TRP HE1 . . 5.080 4.909 4.450 5.148 0.068 1 0 "[ . 1 . 2]" 1
745 1 29 GLU HB2 1 30 SER H . . 3.710 2.662 2.474 2.955 . 0 0 "[ . 1 . 2]" 1
746 1 29 GLU HB2 1 31 GLY H . . 4.870 4.882 4.709 4.955 0.085 10 0 "[ . 1 . 2]" 1
747 1 29 GLU HB2 1 59 TRP HD1 . . 3.110 2.854 2.463 3.163 0.053 14 0 "[ . 1 . 2]" 1
748 1 29 GLU HB2 1 59 TRP HE1 . . 2.950 2.314 1.751 2.618 . 0 0 "[ . 1 . 2]" 1
749 1 29 GLU HB2 1 59 TRP HZ2 . . 4.950 4.644 4.088 5.018 0.068 1 0 "[ . 1 . 2]" 1
750 1 29 GLU HB2 1 63 TYR QE . . 4.930 4.750 3.825 5.025 0.095 6 0 "[ . 1 . 2]" 1
751 1 29 GLU HB3 1 30 SER H . . 4.060 3.591 3.440 3.816 . 0 0 "[ . 1 . 2]" 1
752 1 29 GLU HB3 1 59 TRP HD1 . . 4.290 2.244 2.114 2.564 . 0 0 "[ . 1 . 2]" 1
753 1 29 GLU HB3 1 59 TRP HE1 . . 4.110 2.677 2.198 3.174 . 0 0 "[ . 1 . 2]" 1
754 1 29 GLU HB3 1 63 TYR QE . . 5.470 4.725 3.605 5.356 . 0 0 "[ . 1 . 2]" 1
755 1 29 GLU QG 1 30 SER H . . 4.620 4.190 4.028 4.408 . 0 0 "[ . 1 . 2]" 1
756 1 29 GLU QG 1 59 TRP HE1 . . 4.050 2.817 2.144 3.614 . 0 0 "[ . 1 . 2]" 1
757 1 29 GLU QG 1 63 TYR QE . . 5.340 3.836 2.893 4.900 . 0 0 "[ . 1 . 2]" 1
758 1 29 GLU HG2 1 59 TRP HE1 . . 4.680 3.957 3.436 4.352 . 0 0 "[ . 1 . 2]" 1
759 1 29 GLU HG3 1 59 TRP HE1 . . 4.680 2.932 2.159 3.992 . 0 0 "[ . 1 . 2]" 1
760 1 30 SER H 1 30 SER HB2 . . 3.610 3.605 3.491 3.661 0.051 10 0 "[ . 1 . 2]" 1
761 1 30 SER H 1 30 SER HB3 . . 3.200 2.629 2.471 2.794 . 0 0 "[ . 1 . 2]" 1
762 1 30 SER H 1 30 SER HG . . 3.150 2.041 1.953 2.166 . 0 0 "[ . 1 . 2]" 1
763 1 30 SER H 1 31 GLY H . . 2.870 2.509 2.202 2.702 . 0 0 "[ . 1 . 2]" 1
764 1 30 SER H 1 32 LEU H . . 4.170 3.874 3.588 4.109 . 0 0 "[ . 1 . 2]" 1
765 1 30 SER H 1 37 ILE MD . . 4.650 4.395 4.242 4.649 . 0 0 "[ . 1 . 2]" 1
766 1 30 SER H 1 55 THR MG . . 5.090 5.068 4.813 5.196 0.106 3 0 "[ . 1 . 2]" 1
767 1 30 SER H 1 59 TRP HB2 . . 5.370 4.784 4.353 5.346 . 0 0 "[ . 1 . 2]" 1
768 1 30 SER H 1 59 TRP HD1 . . 4.490 3.911 3.313 4.359 . 0 0 "[ . 1 . 2]" 1
769 1 30 SER H 1 59 TRP HE1 . . 5.370 4.564 3.766 5.246 . 0 0 "[ . 1 . 2]" 1
770 1 30 SER HA 1 55 THR MG . . 3.860 3.203 2.810 3.457 . 0 0 "[ . 1 . 2]" 1
771 1 30 SER HA 1 56 LEU MD2 . . 5.110 4.963 4.570 5.196 0.086 3 0 "[ . 1 . 2]" 1
772 1 30 SER HA 1 59 TRP HD1 . . 4.150 3.651 2.773 4.204 0.054 1 0 "[ . 1 . 2]" 1
773 1 30 SER HB2 1 31 GLY H . . 4.540 4.036 3.741 4.212 . 0 0 "[ . 1 . 2]" 1
774 1 30 SER HB2 1 32 LEU H . . 3.980 3.351 3.116 3.692 . 0 0 "[ . 1 . 2]" 1
775 1 30 SER HB2 1 32 LEU HB2 . . 5.230 3.863 3.446 4.043 . 0 0 "[ . 1 . 2]" 1
776 1 30 SER HB2 1 32 LEU MD1 . . 4.220 2.666 2.432 2.955 . 0 0 "[ . 1 . 2]" 1
777 1 30 SER HB2 1 32 LEU MD2 . . 5.500 4.102 3.683 4.494 . 0 0 "[ . 1 . 2]" 1
778 1 30 SER HB2 1 55 THR MG . . 3.380 2.221 2.036 2.542 . 0 0 "[ . 1 . 2]" 1
779 1 30 SER HB2 1 56 LEU MD2 . . 3.570 3.254 2.865 3.662 0.092 5 0 "[ . 1 . 2]" 1
780 1 30 SER HB3 1 31 GLY H . . 4.340 4.156 3.935 4.357 0.017 15 0 "[ . 1 . 2]" 1
781 1 30 SER HB3 1 32 LEU H . . 4.420 4.176 3.968 4.404 . 0 0 "[ . 1 . 2]" 1
782 1 30 SER HB3 1 32 LEU HB2 . . 4.850 4.618 4.278 4.893 0.043 15 0 "[ . 1 . 2]" 1
783 1 30 SER HB3 1 32 LEU MD1 . . 4.450 3.554 3.321 3.981 . 0 0 "[ . 1 . 2]" 1
784 1 30 SER HB3 1 37 ILE HG12 . . 5.500 5.101 4.797 5.406 . 0 0 "[ . 1 . 2]" 1
785 1 30 SER HB3 1 55 THR MG . . 3.780 3.614 3.145 3.875 0.095 13 0 "[ . 1 . 2]" 1
786 1 30 SER HB3 1 59 TRP HD1 . . 4.120 3.839 3.161 4.180 0.060 19 0 "[ . 1 . 2]" 1
787 1 30 SER HG 1 31 GLY H . . 4.620 3.159 2.761 3.570 . 0 0 "[ . 1 . 2]" 1
788 1 30 SER HG 1 32 LEU H . . 4.040 3.005 2.846 3.261 . 0 0 "[ . 1 . 2]" 1
789 1 30 SER HG 1 32 LEU MD1 . . 5.090 3.602 3.341 4.092 . 0 0 "[ . 1 . 2]" 1
790 1 30 SER HG 1 37 ILE MD . . 4.200 2.708 2.562 3.007 . 0 0 "[ . 1 . 2]" 1
791 1 31 GLY H 1 31 GLY QA . . 2.530 2.236 2.189 2.318 . 0 0 "[ . 1 . 2]" 1
792 1 31 GLY H 1 32 LEU H . . 3.010 2.477 2.102 2.658 . 0 0 "[ . 1 . 2]" 1
793 1 31 GLY H 1 32 LEU HG . . 4.610 4.499 4.090 4.672 0.062 5 0 "[ . 1 . 2]" 1
794 1 31 GLY H 1 37 ILE MD . . 5.130 4.973 4.736 5.220 0.090 1 0 "[ . 1 . 2]" 1
795 1 32 LEU H 1 32 LEU HB2 . . 3.120 2.493 2.381 2.624 . 0 0 "[ . 1 . 2]" 1
796 1 32 LEU H 1 32 LEU HB3 . . 3.740 3.645 3.588 3.724 . 0 0 "[ . 1 . 2]" 1
797 1 32 LEU H 1 32 LEU MD1 . . 3.950 3.611 3.413 3.869 . 0 0 "[ . 1 . 2]" 1
798 1 32 LEU H 1 32 LEU MD2 . . 3.810 3.635 3.416 3.870 0.060 2 0 "[ . 1 . 2]" 1
799 1 32 LEU H 1 32 LEU HG . . 2.640 2.494 2.270 2.700 0.060 2 0 "[ . 1 . 2]" 1
800 1 32 LEU H 1 33 SER H . . 4.590 4.553 4.411 4.641 0.051 19 0 "[ . 1 . 2]" 1
801 1 32 LEU H 1 37 ILE MD . . 4.230 3.884 3.680 4.133 . 0 0 "[ . 1 . 2]" 1
802 1 32 LEU H 1 55 THR MG . . 4.360 3.919 3.438 4.353 . 0 0 "[ . 1 . 2]" 1
803 1 32 LEU HA 1 32 LEU MD1 . . 4.140 3.938 3.857 3.990 . 0 0 "[ . 1 . 2]" 1
804 1 32 LEU HA 1 32 LEU MD2 . . 2.990 2.247 2.159 2.332 . 0 0 "[ . 1 . 2]" 1
805 1 32 LEU HA 1 32 LEU HG . . 3.960 3.137 3.002 3.332 . 0 0 "[ . 1 . 2]" 1
806 1 32 LEU HA 1 33 SER H . . 2.620 2.532 2.367 2.685 0.065 10 0 "[ . 1 . 2]" 1
807 1 32 LEU HB2 1 32 LEU MD1 . . 3.120 2.297 2.249 2.374 . 0 0 "[ . 1 . 2]" 1
808 1 32 LEU HB2 1 32 LEU MD2 . . 3.470 3.240 3.211 3.265 . 0 0 "[ . 1 . 2]" 1
809 1 32 LEU HB2 1 33 SER H . . 3.440 3.378 3.057 3.512 0.072 14 0 "[ . 1 . 2]" 1
810 1 32 LEU HB2 1 36 THR MG . . 4.160 4.184 3.948 4.257 0.097 2 0 "[ . 1 . 2]" 1
811 1 32 LEU HB2 1 37 ILE MD . . 3.370 2.538 2.307 2.968 . 0 0 "[ . 1 . 2]" 1
812 1 32 LEU HB3 1 32 LEU MD1 . . 3.310 2.420 2.320 2.480 . 0 0 "[ . 1 . 2]" 1
813 1 32 LEU HB3 1 32 LEU MD2 . . 3.230 2.354 2.274 2.442 . 0 0 "[ . 1 . 2]" 1
814 1 32 LEU HB3 1 33 SER H . . 3.100 2.283 1.968 2.570 . 0 0 "[ . 1 . 2]" 1
815 1 32 LEU HB3 1 36 THR H . . 5.500 4.939 4.565 5.317 . 0 0 "[ . 1 . 2]" 1
816 1 32 LEU HB3 1 36 THR HB . . 4.030 2.824 2.436 3.310 . 0 0 "[ . 1 . 2]" 1
817 1 32 LEU HB3 1 37 ILE H . . 4.800 4.093 3.763 4.625 . 0 0 "[ . 1 . 2]" 1
818 1 32 LEU MD1 1 33 SER H . . 4.530 4.349 4.035 4.588 0.058 14 0 "[ . 1 . 2]" 1
819 1 32 LEU MD1 1 37 ILE HA . . 4.370 3.906 3.491 4.377 0.007 1 0 "[ . 1 . 2]" 1
820 1 32 LEU MD1 1 52 VAL HA . . 3.800 2.931 2.355 3.181 . 0 0 "[ . 1 . 2]" 1
821 1 32 LEU MD1 1 52 VAL QG . . 3.220 2.090 1.962 2.212 . 0 0 "[ . 1 . 2]" 1
822 1 32 LEU MD1 1 55 THR H . . 4.280 4.289 4.044 4.376 0.096 15 0 "[ . 1 . 2]" 1
823 1 32 LEU MD1 1 55 THR HB . . 3.520 2.322 2.193 2.550 . 0 0 "[ . 1 . 2]" 1
824 1 32 LEU MD1 1 55 THR MG . . 3.100 2.649 2.249 3.043 . 0 0 "[ . 1 . 2]" 1
825 1 32 LEU MD1 1 56 LEU H . . 3.710 3.533 3.306 3.786 0.076 5 0 "[ . 1 . 2]" 1
826 1 32 LEU MD1 1 56 LEU HB2 . . 4.580 4.469 4.213 4.678 0.098 3 0 "[ . 1 . 2]" 1
827 1 32 LEU MD1 1 56 LEU MD1 . . 3.510 3.113 2.757 3.451 . 0 0 "[ . 1 . 2]" 1
828 1 32 LEU MD1 1 56 LEU MD2 . . 2.820 2.265 2.061 2.584 . 0 0 "[ . 1 . 2]" 1
829 1 32 LEU MD1 1 56 LEU HG . . 3.460 2.391 2.109 2.690 . 0 0 "[ . 1 . 2]" 1
830 1 32 LEU MD2 1 33 SER H . . 3.730 3.565 3.359 3.814 0.084 14 0 "[ . 1 . 2]" 1
831 1 32 LEU MD2 1 52 VAL HA . . 4.080 2.713 2.214 3.293 . 0 0 "[ . 1 . 2]" 1
832 1 32 LEU MD2 1 52 VAL QG . . 3.900 2.423 2.147 2.896 . 0 0 "[ . 1 . 2]" 1
833 1 32 LEU MD2 1 55 THR H . . 5.250 4.526 4.112 4.913 . 0 0 "[ . 1 . 2]" 1
834 1 32 LEU MD2 1 55 THR HB . . 4.040 2.653 2.302 3.076 . 0 0 "[ . 1 . 2]" 1
835 1 32 LEU MD2 1 55 THR MG . . 3.500 2.386 2.204 2.611 . 0 0 "[ . 1 . 2]" 1
836 1 32 LEU HG 1 55 THR HB . . 5.500 3.626 3.019 4.146 . 0 0 "[ . 1 . 2]" 1
837 1 33 SER H 1 33 SER HB2 . . 3.540 2.846 2.383 3.622 0.082 14 0 "[ . 1 . 2]" 1
838 1 33 SER H 1 33 SER QB . . 2.850 2.432 2.114 2.928 0.078 7 0 "[ . 1 . 2]" 1
839 1 33 SER H 1 33 SER HB3 . . 3.540 2.853 2.194 3.605 0.065 1 0 "[ . 1 . 2]" 1
840 1 33 SER H 1 36 THR H . . 5.090 3.962 3.705 4.444 . 0 0 "[ . 1 . 2]" 1
841 1 33 SER H 1 36 THR HB . . 3.650 2.726 2.212 3.356 . 0 0 "[ . 1 . 2]" 1
842 1 33 SER H 1 36 THR MG . . 3.900 3.542 3.232 3.948 0.048 15 0 "[ . 1 . 2]" 1
843 1 33 SER H 1 37 ILE MD . . 4.890 4.476 3.752 4.983 0.093 15 0 "[ . 1 . 2]" 1
844 1 33 SER H 1 37 ILE HG13 . . 5.500 4.463 3.502 5.304 . 0 0 "[ . 1 . 2]" 1
845 1 33 SER HA 1 35 GLY H . . 5.500 4.285 3.934 4.536 . 0 0 "[ . 1 . 2]" 1
846 1 33 SER HA 1 36 THR H . . 5.500 4.598 4.377 4.928 . 0 0 "[ . 1 . 2]" 1
847 1 33 SER QB 1 35 GLY H . . 5.340 3.305 2.658 3.998 . 0 0 "[ . 1 . 2]" 1
848 1 33 SER QB 1 36 THR H . . 4.700 2.669 2.015 3.506 . 0 0 "[ . 1 . 2]" 1
849 1 33 SER HB2 1 36 THR H . . 5.500 3.625 2.026 4.357 . 0 0 "[ . 1 . 2]" 1
850 1 33 SER HB3 1 36 THR H . . 5.500 3.216 2.213 5.063 . 0 0 "[ . 1 . 2]" 1
851 1 34 THR HA 1 34 THR MG . . 3.280 2.315 2.190 2.444 . 0 0 "[ . 1 . 2]" 1
852 1 34 THR HA 1 37 ILE H . . 3.780 3.768 3.621 3.849 0.069 15 0 "[ . 1 . 2]" 1
853 1 34 THR HA 1 37 ILE HB . . 3.560 3.365 3.022 3.644 0.084 15 0 "[ . 1 . 2]" 1
854 1 34 THR HA 1 37 ILE MD . . 3.430 2.492 2.188 3.027 . 0 0 "[ . 1 . 2]" 1
855 1 34 THR HA 1 37 ILE HG12 . . 5.500 5.304 4.995 5.599 0.099 15 0 "[ . 1 . 2]" 1
856 1 34 THR HA 1 37 ILE MG . . 4.740 4.627 4.329 4.839 0.099 15 0 "[ . 1 . 2]" 1
857 1 34 THR HA 1 38 SER H . . 4.570 4.446 3.937 4.655 0.085 17 0 "[ . 1 . 2]" 1
858 1 34 THR HB 1 35 GLY H . . 4.620 3.480 2.423 4.022 . 0 0 "[ . 1 . 2]" 1
859 1 34 THR HB 1 37 ILE MD . . 4.870 4.700 4.274 4.963 0.093 18 0 "[ . 1 . 2]" 1
860 1 34 THR MG 1 35 GLY H . . 4.770 4.022 3.726 4.358 . 0 0 "[ . 1 . 2]" 1
861 1 34 THR MG 1 35 GLY QA . . 5.340 4.877 3.942 5.109 . 0 0 "[ . 1 . 2]" 1
862 1 34 THR MG 1 36 THR H . . 5.500 5.506 5.329 5.613 0.113 17 0 "[ . 1 . 2]" 1
863 1 34 THR MG 1 37 ILE MD . . 3.610 3.593 3.370 3.716 0.106 7 0 "[ . 1 . 2]" 1
864 1 35 GLY QA 1 38 SER H . . 5.340 3.729 3.534 4.162 . 0 0 "[ . 1 . 2]" 1
865 1 35 GLY HA2 1 37 ILE H . . 5.500 4.799 4.596 4.982 . 0 0 "[ . 1 . 2]" 1
866 1 35 GLY HA3 1 37 ILE H . . 5.500 5.111 4.896 5.506 0.006 15 0 "[ . 1 . 2]" 1
867 1 36 THR H 1 36 THR HB . . 3.260 2.441 2.276 2.754 . 0 0 "[ . 1 . 2]" 1
868 1 36 THR H 1 36 THR MG . . 4.090 3.711 3.660 3.783 . 0 0 "[ . 1 . 2]" 1
869 1 36 THR H 1 37 ILE H . . 3.630 2.896 2.657 3.136 . 0 0 "[ . 1 . 2]" 1
870 1 36 THR H 1 37 ILE HB . . 5.110 4.919 4.571 5.179 0.069 6 0 "[ . 1 . 2]" 1
871 1 36 THR H 1 37 ILE HG13 . . 4.790 4.623 4.309 4.859 0.069 16 0 "[ . 1 . 2]" 1
872 1 36 THR H 1 38 SER H . . 5.500 4.470 4.183 4.863 . 0 0 "[ . 1 . 2]" 1
873 1 36 THR HA 1 36 THR MG . . 3.390 2.443 2.277 2.579 . 0 0 "[ . 1 . 2]" 1
874 1 36 THR HA 1 38 SER H . . 5.500 4.781 4.493 5.007 . 0 0 "[ . 1 . 2]" 1
875 1 36 THR HA 1 39 SER H . . 4.050 3.585 3.298 3.749 . 0 0 "[ . 1 . 2]" 1
876 1 36 THR HA 1 40 PHE H . . 4.800 3.950 3.704 4.217 . 0 0 "[ . 1 . 2]" 1
877 1 36 THR HA 1 45 TYR QD . . 3.970 2.948 2.330 3.356 . 0 0 "[ . 1 . 2]" 1
878 1 36 THR HA 1 45 TYR QE . . 4.220 3.379 2.887 3.894 . 0 0 "[ . 1 . 2]" 1
879 1 36 THR HB 1 37 ILE H . . 3.160 2.485 2.205 2.803 . 0 0 "[ . 1 . 2]" 1
880 1 36 THR HB 1 37 ILE HB . . 5.470 4.827 4.507 5.318 . 0 0 "[ . 1 . 2]" 1
881 1 36 THR HB 1 37 ILE HG12 . . 5.270 4.909 4.525 5.293 0.023 17 0 "[ . 1 . 2]" 1
882 1 36 THR HB 1 37 ILE HG13 . . 4.160 3.264 2.936 3.688 . 0 0 "[ . 1 . 2]" 1
883 1 36 THR HB 1 52 VAL QG . . 5.440 3.894 3.678 4.226 . 0 0 "[ . 1 . 2]" 1
884 1 36 THR MG 1 37 ILE H . . 3.860 3.222 3.034 3.477 . 0 0 "[ . 1 . 2]" 1
885 1 36 THR MG 1 37 ILE HA . . 4.200 3.425 3.219 3.711 . 0 0 "[ . 1 . 2]" 1
886 1 36 THR MG 1 37 ILE HG13 . . 3.960 3.475 3.158 3.903 . 0 0 "[ . 1 . 2]" 1
887 1 36 THR MG 1 39 SER H . . 4.730 4.823 4.737 4.848 0.118 19 0 "[ . 1 . 2]" 1
888 1 36 THR MG 1 40 PHE H . . 4.290 4.008 3.860 4.203 . 0 0 "[ . 1 . 2]" 1
889 1 36 THR MG 1 40 PHE HB2 . . 4.680 3.319 2.962 3.596 . 0 0 "[ . 1 . 2]" 1
890 1 36 THR MG 1 45 TYR HB2 . . 5.340 4.067 3.651 4.566 . 0 0 "[ . 1 . 2]" 1
891 1 36 THR MG 1 45 TYR QD . . 4.320 3.171 2.794 3.565 . 0 0 "[ . 1 . 2]" 1
892 1 36 THR MG 1 45 TYR QE . . 3.890 2.766 2.332 3.041 . 0 0 "[ . 1 . 2]" 1
893 1 36 THR MG 1 52 VAL H . . 5.500 5.169 4.803 5.420 . 0 0 "[ . 1 . 2]" 1
894 1 36 THR MG 1 52 VAL HB . . 4.540 4.084 3.851 4.464 . 0 0 "[ . 1 . 2]" 1
895 1 36 THR MG 1 52 VAL QG . . 3.230 1.980 1.803 2.259 . 0 0 "[ . 1 . 2]" 1
896 1 37 ILE H 1 37 ILE HB . . 2.770 2.429 2.297 2.685 . 0 0 "[ . 1 . 2]" 1
897 1 37 ILE H 1 37 ILE MD . . 3.450 3.038 2.738 3.271 . 0 0 "[ . 1 . 2]" 1
898 1 37 ILE H 1 37 ILE HG12 . . 3.650 3.540 3.287 3.679 0.029 5 0 "[ . 1 . 2]" 1
899 1 37 ILE H 1 37 ILE HG13 . . 3.100 2.101 1.852 2.231 . 0 0 "[ . 1 . 2]" 1
900 1 37 ILE H 1 37 ILE MG . . 3.770 3.755 3.697 3.788 0.018 10 0 "[ . 1 . 2]" 1
901 1 37 ILE H 1 38 SER H . . 3.290 2.944 2.808 3.093 . 0 0 "[ . 1 . 2]" 1
902 1 37 ILE H 1 52 VAL QG . . 5.030 4.499 4.210 4.720 . 0 0 "[ . 1 . 2]" 1
903 1 37 ILE H 1 56 LEU MD1 . . 5.500 5.428 4.792 5.578 0.078 5 0 "[ . 1 . 2]" 1
904 1 37 ILE HA 1 37 ILE MD . . 4.360 3.868 3.784 4.005 . 0 0 "[ . 1 . 2]" 1
905 1 37 ILE HA 1 37 ILE HG12 . . 3.590 2.749 2.661 2.944 . 0 0 "[ . 1 . 2]" 1
906 1 37 ILE HA 1 37 ILE HG13 . . 3.720 2.731 2.502 3.087 . 0 0 "[ . 1 . 2]" 1
907 1 37 ILE HA 1 37 ILE MG . . 3.230 2.504 2.411 2.608 . 0 0 "[ . 1 . 2]" 1
908 1 37 ILE HA 1 39 SER H . . 4.850 4.528 4.348 4.730 . 0 0 "[ . 1 . 2]" 1
909 1 37 ILE HA 1 40 PHE H . . 3.720 3.567 3.401 3.758 0.038 3 0 "[ . 1 . 2]" 1
910 1 37 ILE HA 1 40 PHE HB2 . . 3.870 3.664 3.304 3.890 0.020 9 0 "[ . 1 . 2]" 1
911 1 37 ILE HA 1 40 PHE HB3 . . 3.650 2.645 2.358 2.926 . 0 0 "[ . 1 . 2]" 1
912 1 37 ILE HA 1 40 PHE QD . . 4.430 3.991 3.352 4.474 0.044 6 0 "[ . 1 . 2]" 1
913 1 37 ILE HA 1 41 ILE H . . 4.490 4.046 3.833 4.246 . 0 0 "[ . 1 . 2]" 1
914 1 37 ILE HA 1 52 VAL QG . . 4.890 3.519 3.158 3.917 . 0 0 "[ . 1 . 2]" 1
915 1 37 ILE HA 1 56 LEU MD1 . . 3.960 3.302 2.985 3.482 . 0 0 "[ . 1 . 2]" 1
916 1 37 ILE HA 1 56 LEU MD2 . . 4.620 3.701 3.318 4.265 . 0 0 "[ . 1 . 2]" 1
917 1 37 ILE HB 1 37 ILE MD . . 3.230 2.306 2.194 2.481 . 0 0 "[ . 1 . 2]" 1
918 1 37 ILE HB 1 38 SER H . . 3.010 2.465 2.289 2.547 . 0 0 "[ . 1 . 2]" 1
919 1 37 ILE HB 1 39 SER H . . 5.050 5.007 4.803 5.134 0.084 17 0 "[ . 1 . 2]" 1
920 1 37 ILE MD 1 37 ILE MG . . 3.000 2.167 2.067 2.283 . 0 0 "[ . 1 . 2]" 1
921 1 37 ILE MD 1 38 SER H . . 4.300 4.272 4.065 4.396 0.096 15 0 "[ . 1 . 2]" 1
922 1 37 ILE HG12 1 37 ILE MG . . 3.650 2.239 2.087 2.315 . 0 0 "[ . 1 . 2]" 1
923 1 37 ILE HG12 1 38 SER H . . 5.040 5.074 4.937 5.116 0.076 12 0 "[ . 1 . 2]" 1
924 1 37 ILE HG12 1 40 PHE HB3 . . 5.500 5.108 4.743 5.441 . 0 0 "[ . 1 . 2]" 1
925 1 37 ILE HG12 1 56 LEU MD1 . . 3.810 3.507 2.365 3.880 0.070 6 0 "[ . 1 . 2]" 1
926 1 37 ILE HG12 1 56 LEU MD2 . . 3.440 2.243 2.106 2.423 . 0 0 "[ . 1 . 2]" 1
927 1 37 ILE HG13 1 37 ILE MG . . 3.410 3.199 3.167 3.233 . 0 0 "[ . 1 . 2]" 1
928 1 37 ILE HG13 1 38 SER H . . 4.440 4.424 4.147 4.514 0.074 5 0 "[ . 1 . 2]" 1
929 1 37 ILE MG 1 38 SER H . . 3.590 3.241 2.966 3.626 0.036 13 0 "[ . 1 . 2]" 1
930 1 37 ILE MG 1 38 SER HA . . 4.330 3.393 3.243 3.881 . 0 0 "[ . 1 . 2]" 1
931 1 37 ILE MG 1 38 SER QB . . 4.880 4.127 3.848 4.706 . 0 0 "[ . 1 . 2]" 1
932 1 37 ILE MG 1 39 SER H . . 5.500 5.073 4.916 5.318 . 0 0 "[ . 1 . 2]" 1
933 1 37 ILE MG 1 40 PHE HB3 . . 4.230 4.021 3.684 4.315 0.085 3 0 "[ . 1 . 2]" 1
934 1 37 ILE MG 1 40 PHE QD . . 4.470 4.097 3.465 4.572 0.102 3 0 "[ . 1 . 2]" 1
935 1 37 ILE MG 1 41 ILE H . . 4.520 4.146 3.877 4.474 . 0 0 "[ . 1 . 2]" 1
936 1 37 ILE MG 1 41 ILE MD . . 3.100 2.208 2.030 3.057 . 0 0 "[ . 1 . 2]" 1
937 1 37 ILE MG 1 41 ILE HG13 . . 4.190 3.143 2.702 3.529 . 0 0 "[ . 1 . 2]" 1
938 1 37 ILE MG 1 56 LEU MD1 . . 3.750 3.319 2.760 3.743 . 0 0 "[ . 1 . 2]" 1
939 1 38 SER H 1 38 SER HB2 . . 3.540 3.175 2.045 3.601 0.061 12 0 "[ . 1 . 2]" 1
940 1 38 SER H 1 38 SER QB . . 3.010 2.526 2.020 2.914 . 0 0 "[ . 1 . 2]" 1
941 1 38 SER H 1 38 SER HB3 . . 3.540 2.806 2.114 3.599 0.059 18 0 "[ . 1 . 2]" 1
942 1 38 SER H 1 39 SER H . . 3.180 2.829 2.695 2.976 . 0 0 "[ . 1 . 2]" 1
943 1 38 SER H 1 39 SER QB . . 5.340 4.614 4.409 5.400 0.060 17 0 "[ . 1 . 2]" 1
944 1 38 SER H 1 40 PHE HB3 . . 5.500 5.136 4.891 5.364 . 0 0 "[ . 1 . 2]" 1
945 1 38 SER HA 1 40 PHE H . . 4.870 4.486 4.185 4.717 . 0 0 "[ . 1 . 2]" 1
946 1 38 SER HA 1 41 ILE H . . 3.910 3.581 3.417 3.707 . 0 0 "[ . 1 . 2]" 1
947 1 38 SER HA 1 41 ILE HB . . 3.890 2.883 2.675 3.261 . 0 0 "[ . 1 . 2]" 1
948 1 38 SER HA 1 41 ILE MD . . 4.020 2.772 2.336 3.595 . 0 0 "[ . 1 . 2]" 1
949 1 38 SER HA 1 41 ILE HG12 . . 5.160 5.204 5.098 5.245 0.085 14 0 "[ . 1 . 2]" 1
950 1 38 SER HA 1 41 ILE MG . . 4.630 4.223 3.996 4.695 0.065 13 0 "[ . 1 . 2]" 1
951 1 38 SER HA 1 42 ASN H . . 4.870 4.119 3.815 4.557 . 0 0 "[ . 1 . 2]" 1
952 1 38 SER QB 1 39 SER H . . 3.300 3.144 2.562 3.405 0.105 4 0 "[ . 1 . 2]" 1
953 1 38 SER HB2 1 39 SER H . . 4.060 3.565 2.792 4.125 0.065 10 0 "[ . 1 . 2]" 1
954 1 38 SER HB3 1 39 SER H . . 4.060 3.780 2.600 4.146 0.086 19 0 "[ . 1 . 2]" 1
955 1 39 SER H 1 39 SER HB2 . . 3.120 2.379 1.942 3.236 0.116 19 0 "[ . 1 . 2]" 1
956 1 39 SER H 1 39 SER HB3 . . 3.120 2.839 2.452 3.217 0.097 2 0 "[ . 1 . 2]" 1
957 1 39 SER H 1 40 PHE H . . 3.290 2.650 2.523 2.796 . 0 0 "[ . 1 . 2]" 1
958 1 39 SER H 1 40 PHE HB2 . . 5.500 5.039 4.858 5.224 . 0 0 "[ . 1 . 2]" 1
959 1 39 SER H 1 40 PHE HB3 . . 4.900 4.661 4.377 4.884 . 0 0 "[ . 1 . 2]" 1
960 1 39 SER H 1 45 TYR HB2 . . 5.500 4.587 4.156 5.179 . 0 0 "[ . 1 . 2]" 1
961 1 39 SER HA 1 41 ILE H . . 5.390 4.615 4.296 4.822 . 0 0 "[ . 1 . 2]" 1
962 1 39 SER HA 1 42 ASN H . . 4.670 3.473 3.282 3.746 . 0 0 "[ . 1 . 2]" 1
963 1 39 SER HA 1 42 ASN QB . . 3.990 2.682 2.235 3.489 . 0 0 "[ . 1 . 2]" 1
964 1 39 SER HA 1 43 ASP H . . 5.500 4.805 4.400 5.209 . 0 0 "[ . 1 . 2]" 1
965 1 39 SER HA 1 44 LYS H . . 4.250 3.636 3.272 3.890 . 0 0 "[ . 1 . 2]" 1
966 1 39 SER HA 1 44 LYS HB2 . . 4.160 2.718 2.216 3.157 . 0 0 "[ . 1 . 2]" 1
967 1 39 SER HA 1 45 TYR H . . 5.300 4.218 3.806 5.009 . 0 0 "[ . 1 . 2]" 1
968 1 39 SER HA 1 45 TYR QD . . 5.500 5.274 4.897 5.587 0.087 15 0 "[ . 1 . 2]" 1
969 1 39 SER QB 1 40 PHE H . . 3.540 2.753 2.469 3.432 . 0 0 "[ . 1 . 2]" 1
970 1 39 SER QB 1 44 LYS H . . 4.730 4.383 3.721 4.811 0.081 10 0 "[ . 1 . 2]" 1
971 1 39 SER QB 1 44 LYS HB2 . . 4.600 3.781 2.412 4.367 . 0 0 "[ . 1 . 2]" 1
972 1 39 SER QB 1 44 LYS HB3 . . 5.340 4.391 3.147 5.063 . 0 0 "[ . 1 . 2]" 1
973 1 39 SER QB 1 45 TYR H . . 5.340 3.585 2.742 4.204 . 0 0 "[ . 1 . 2]" 1
974 1 39 SER QB 1 45 TYR HA . . 4.310 2.966 2.161 3.529 . 0 0 "[ . 1 . 2]" 1
975 1 39 SER QB 1 45 TYR HB2 . . 4.010 2.309 2.123 2.883 . 0 0 "[ . 1 . 2]" 1
976 1 39 SER HB2 1 40 PHE H . . 4.050 3.588 2.854 3.965 . 0 0 "[ . 1 . 2]" 1
977 1 39 SER HB2 1 44 LYS H . . 5.500 5.308 4.033 5.577 0.077 14 0 "[ . 1 . 2]" 1
978 1 39 SER HB2 1 45 TYR HB2 . . 4.620 3.710 2.133 4.515 . 0 0 "[ . 1 . 2]" 1
979 1 39 SER HB2 1 45 TYR QD . . 3.990 3.460 2.323 4.033 0.043 5 0 "[ . 1 . 2]" 1
980 1 39 SER HB3 1 40 PHE H . . 4.050 3.008 2.504 4.129 0.079 18 0 "[ . 1 . 2]" 1
981 1 39 SER HB3 1 44 LYS H . . 5.500 4.749 3.933 5.376 . 0 0 "[ . 1 . 2]" 1
982 1 39 SER HB3 1 45 TYR HB2 . . 4.620 2.568 2.137 4.290 . 0 0 "[ . 1 . 2]" 1
983 1 39 SER HB3 1 45 TYR QD . . 3.990 2.727 2.127 4.065 0.075 19 0 "[ . 1 . 2]" 1
984 1 40 PHE H 1 40 PHE HB2 . . 2.890 2.549 2.438 2.643 . 0 0 "[ . 1 . 2]" 1
985 1 40 PHE H 1 40 PHE HB3 . . 3.140 2.355 2.259 2.497 . 0 0 "[ . 1 . 2]" 1
986 1 40 PHE H 1 40 PHE QD . . 4.190 4.157 4.111 4.215 0.025 11 0 "[ . 1 . 2]" 1
987 1 40 PHE H 1 41 ILE H . . 3.340 2.778 2.638 2.966 . 0 0 "[ . 1 . 2]" 1
988 1 40 PHE H 1 41 ILE HB . . 5.280 4.872 4.653 5.252 . 0 0 "[ . 1 . 2]" 1
989 1 40 PHE H 1 41 ILE HG13 . . 5.500 4.585 4.357 4.798 . 0 0 "[ . 1 . 2]" 1
990 1 40 PHE H 1 42 ASN H . . 5.500 4.140 3.998 4.338 . 0 0 "[ . 1 . 2]" 1
991 1 40 PHE H 1 45 TYR HB3 . . 4.950 4.318 3.811 4.953 0.003 13 0 "[ . 1 . 2]" 1
992 1 40 PHE H 1 45 TYR QD . . 4.970 4.320 3.679 4.769 . 0 0 "[ . 1 . 2]" 1
993 1 40 PHE H 1 52 VAL QG . . 4.800 4.188 3.979 4.462 . 0 0 "[ . 1 . 2]" 1
994 1 40 PHE H 1 56 LEU MD1 . . 5.500 5.252 5.020 5.546 0.046 2 0 "[ . 1 . 2]" 1
995 1 40 PHE HA 1 40 PHE QD . . 3.450 2.948 2.683 3.135 . 0 0 "[ . 1 . 2]" 1
996 1 40 PHE HA 1 40 PHE QE . . 4.920 4.798 4.515 4.929 0.009 15 0 "[ . 1 . 2]" 1
997 1 40 PHE HA 1 42 ASN H . . 5.280 4.504 4.211 4.868 . 0 0 "[ . 1 . 2]" 1
998 1 40 PHE HA 1 44 LYS H . . 5.310 3.922 3.404 4.531 . 0 0 "[ . 1 . 2]" 1
999 1 40 PHE HA 1 45 TYR H . . 3.980 3.104 2.840 3.496 . 0 0 "[ . 1 . 2]" 1
1000 1 40 PHE HA 1 45 TYR HB2 . . 4.080 2.692 2.329 3.092 . 0 0 "[ . 1 . 2]" 1
1001 1 40 PHE HA 1 45 TYR HB3 . . 3.940 2.723 2.262 3.314 . 0 0 "[ . 1 . 2]" 1
1002 1 40 PHE HA 1 45 TYR QD . . 4.500 4.262 3.910 4.570 0.070 11 0 "[ . 1 . 2]" 1
1003 1 40 PHE HA 1 49 ASN QD . . 5.340 4.103 3.404 5.020 . 0 0 "[ . 1 . 2]" 1
1004 1 40 PHE HB2 1 41 ILE H . . 4.150 3.911 3.634 4.015 . 0 0 "[ . 1 . 2]" 1
1005 1 40 PHE HB2 1 45 TYR QE . . 5.500 5.259 4.962 5.579 0.079 6 0 "[ . 1 . 2]" 1
1006 1 40 PHE HB2 1 52 VAL MG1 . . 5.210 2.394 2.217 2.679 . 0 0 "[ . 1 . 2]" 1
1007 1 40 PHE HB2 1 52 VAL QG . . 3.800 2.371 2.200 2.649 . 0 0 "[ . 1 . 2]" 1
1008 1 40 PHE HB2 1 52 VAL MG2 . . 5.210 3.856 3.396 4.232 . 0 0 "[ . 1 . 2]" 1
1009 1 40 PHE HB2 1 56 LEU MD1 . . 4.530 3.891 3.437 4.318 . 0 0 "[ . 1 . 2]" 1
1010 1 40 PHE HB3 1 41 ILE H . . 3.680 2.551 2.235 2.738 . 0 0 "[ . 1 . 2]" 1
1011 1 40 PHE HB3 1 52 VAL MG1 . . 5.500 3.204 2.927 3.462 . 0 0 "[ . 1 . 2]" 1
1012 1 40 PHE HB3 1 52 VAL QG . . 4.040 3.171 2.902 3.424 . 0 0 "[ . 1 . 2]" 1
1013 1 40 PHE HB3 1 52 VAL MG2 . . 5.500 5.077 4.611 5.496 . 0 0 "[ . 1 . 2]" 1
1014 1 40 PHE HB3 1 56 LEU MD1 . . 4.380 3.336 3.086 3.680 . 0 0 "[ . 1 . 2]" 1
1015 1 40 PHE HB3 1 56 LEU MD2 . . 5.500 4.902 4.542 5.575 0.075 20 0 "[ . 1 . 2]" 1
1016 1 40 PHE QD 1 41 ILE H . . 3.610 3.115 2.794 3.368 . 0 0 "[ . 1 . 2]" 1
1017 1 40 PHE QD 1 41 ILE HA . . 3.980 3.350 2.872 3.754 . 0 0 "[ . 1 . 2]" 1
1018 1 40 PHE QD 1 41 ILE MD . . 4.240 3.982 3.714 4.308 0.068 11 0 "[ . 1 . 2]" 1
1019 1 40 PHE QD 1 41 ILE HG12 . . 3.850 3.310 2.954 3.681 . 0 0 "[ . 1 . 2]" 1
1020 1 40 PHE QD 1 41 ILE HG13 . . 3.620 2.548 2.279 3.117 . 0 0 "[ . 1 . 2]" 1
1021 1 40 PHE QD 1 45 TYR H . . 5.500 5.283 4.804 5.573 0.073 13 0 "[ . 1 . 2]" 1
1022 1 40 PHE QD 1 45 TYR HB3 . . 4.950 3.545 2.898 4.100 . 0 0 "[ . 1 . 2]" 1
1023 1 40 PHE QD 1 49 ASN HA . . 4.160 3.322 2.856 3.640 . 0 0 "[ . 1 . 2]" 1
1024 1 40 PHE QD 1 49 ASN QB . . 4.320 3.336 2.680 4.120 . 0 0 "[ . 1 . 2]" 1
1025 1 40 PHE QD 1 52 VAL H . . 5.500 5.263 4.927 5.568 0.068 11 0 "[ . 1 . 2]" 1
1026 1 40 PHE QD 1 52 VAL HB . . 4.100 3.066 2.707 3.499 . 0 0 "[ . 1 . 2]" 1
1027 1 40 PHE QD 1 52 VAL MG1 . . 4.490 2.767 2.500 3.102 . 0 0 "[ . 1 . 2]" 1
1028 1 40 PHE QD 1 52 VAL QG . . 3.380 2.703 2.471 3.040 . 0 0 "[ . 1 . 2]" 1
1029 1 40 PHE QD 1 52 VAL MG2 . . 4.490 3.849 3.490 4.360 . 0 0 "[ . 1 . 2]" 1
1030 1 40 PHE QD 1 53 SER H . . 5.190 4.350 4.030 4.582 . 0 0 "[ . 1 . 2]" 1
1031 1 40 PHE QD 1 53 SER QB . . 4.730 4.374 3.983 4.641 . 0 0 "[ . 1 . 2]" 1
1032 1 40 PHE QD 1 56 LEU MD1 . . 3.290 2.653 2.469 2.758 . 0 0 "[ . 1 . 2]" 1
1033 1 40 PHE QD 1 56 LEU MD2 . . 4.800 4.442 4.248 4.639 . 0 0 "[ . 1 . 2]" 1
1034 1 40 PHE QD 1 56 LEU HG . . 5.140 5.187 5.062 5.223 0.083 7 0 "[ . 1 . 2]" 1
1035 1 40 PHE QE 1 41 ILE HA . . 4.860 4.481 4.049 4.804 . 0 0 "[ . 1 . 2]" 1
1036 1 40 PHE QE 1 41 ILE MD . . 5.500 5.210 4.891 5.579 0.079 11 0 "[ . 1 . 2]" 1
1037 1 40 PHE QE 1 41 ILE HG12 . . 4.660 4.386 4.088 4.744 0.084 14 0 "[ . 1 . 2]" 1
1038 1 40 PHE QE 1 49 ASN HA . . 4.600 3.864 3.277 4.615 0.015 10 0 "[ . 1 . 2]" 1
1039 1 40 PHE QE 1 49 ASN HB2 . . 4.740 4.522 4.010 4.807 0.067 17 0 "[ . 1 . 2]" 1
1040 1 40 PHE QE 1 49 ASN QB . . 3.880 2.984 2.408 3.977 0.097 14 0 "[ . 1 . 2]" 1
1041 1 40 PHE QE 1 49 ASN HB3 . . 4.740 3.050 2.427 4.545 . 0 0 "[ . 1 . 2]" 1
1042 1 40 PHE QE 1 52 VAL HB . . 4.600 3.559 2.955 4.344 . 0 0 "[ . 1 . 2]" 1
1043 1 40 PHE QE 1 52 VAL MG1 . . 5.460 3.521 3.189 4.049 . 0 0 "[ . 1 . 2]" 1
1044 1 40 PHE QE 1 52 VAL QG . . 4.240 3.439 3.149 3.949 . 0 0 "[ . 1 . 2]" 1
1045 1 40 PHE QE 1 52 VAL MG2 . . 5.460 4.875 4.434 5.485 0.025 11 0 "[ . 1 . 2]" 1
1046 1 40 PHE QE 1 53 SER H . . 4.090 3.170 2.745 3.788 . 0 0 "[ . 1 . 2]" 1
1047 1 40 PHE QE 1 53 SER HA . . 4.230 3.428 3.171 3.777 . 0 0 "[ . 1 . 2]" 1
1048 1 40 PHE QE 1 53 SER HB2 . . 4.080 3.803 2.140 4.159 0.079 2 0 "[ . 1 . 2]" 1
1049 1 40 PHE QE 1 53 SER HB3 . . 4.080 2.437 2.142 3.643 . 0 0 "[ . 1 . 2]" 1
1050 1 40 PHE QE 1 56 LEU MD1 . . 3.580 2.582 2.255 2.922 . 0 0 "[ . 1 . 2]" 1
1051 1 40 PHE HZ 1 52 VAL QG . . 5.440 4.353 3.748 4.926 . 0 0 "[ . 1 . 2]" 1
1052 1 40 PHE HZ 1 53 SER H . . 5.500 4.380 3.942 4.819 . 0 0 "[ . 1 . 2]" 1
1053 1 40 PHE HZ 1 53 SER HA . . 4.170 2.986 2.423 3.725 . 0 0 "[ . 1 . 2]" 1
1054 1 40 PHE HZ 1 53 SER QB . . 5.040 2.370 2.132 2.940 . 0 0 "[ . 1 . 2]" 1
1055 1 41 ILE H 1 41 ILE HB . . 2.830 2.434 2.274 2.659 . 0 0 "[ . 1 . 2]" 1
1056 1 41 ILE H 1 41 ILE MD . . 4.070 3.415 3.212 3.798 . 0 0 "[ . 1 . 2]" 1
1057 1 41 ILE H 1 41 ILE HG12 . . 3.590 3.563 3.253 3.653 0.063 5 0 "[ . 1 . 2]" 1
1058 1 41 ILE H 1 41 ILE HG13 . . 3.280 2.225 2.123 2.344 . 0 0 "[ . 1 . 2]" 1
1059 1 41 ILE H 1 41 ILE MG . . 3.800 3.779 3.711 3.863 0.063 13 0 "[ . 1 . 2]" 1
1060 1 41 ILE H 1 42 ASN H . . 3.370 2.753 2.624 2.918 . 0 0 "[ . 1 . 2]" 1
1061 1 41 ILE HA 1 41 ILE MD . . 3.970 3.869 3.782 3.945 . 0 0 "[ . 1 . 2]" 1
1062 1 41 ILE HA 1 41 ILE HG12 . . 3.600 2.607 2.388 2.797 . 0 0 "[ . 1 . 2]" 1
1063 1 41 ILE HA 1 41 ILE HG13 . . 3.750 2.862 2.700 3.157 . 0 0 "[ . 1 . 2]" 1
1064 1 41 ILE HA 1 41 ILE MG . . 3.270 2.512 2.380 2.636 . 0 0 "[ . 1 . 2]" 1
1065 1 41 ILE HA 1 43 ASP H . . 4.500 3.725 3.555 3.933 . 0 0 "[ . 1 . 2]" 1
1066 1 41 ILE HB 1 41 ILE MD . . 3.240 2.332 2.279 2.488 . 0 0 "[ . 1 . 2]" 1
1067 1 41 ILE HB 1 42 ASN H . . 3.240 2.763 2.486 3.092 . 0 0 "[ . 1 . 2]" 1
1068 1 41 ILE MD 1 42 ASN H . . 5.150 4.628 4.330 5.022 . 0 0 "[ . 1 . 2]" 1
1069 1 41 ILE HG12 1 41 ILE MG . . 3.710 2.331 2.213 2.449 . 0 0 "[ . 1 . 2]" 1
1070 1 41 ILE HG12 1 42 ASN H . . 5.390 5.162 5.016 5.329 . 0 0 "[ . 1 . 2]" 1
1071 1 41 ILE HG13 1 41 ILE MG . . 3.730 3.223 3.165 3.252 . 0 0 "[ . 1 . 2]" 1
1072 1 41 ILE HG13 1 42 ASN H . . 4.650 4.466 4.364 4.682 0.032 16 0 "[ . 1 . 2]" 1
1073 1 41 ILE MG 1 42 ASN H . . 3.780 3.466 3.199 3.685 . 0 0 "[ . 1 . 2]" 1
1074 1 41 ILE MG 1 42 ASN HA . . 4.330 3.562 3.439 3.739 . 0 0 "[ . 1 . 2]" 1
1075 1 41 ILE MG 1 42 ASN HB2 . . 5.500 4.768 3.954 5.273 . 0 0 "[ . 1 . 2]" 1
1076 1 41 ILE MG 1 42 ASN HB3 . . 5.500 5.333 4.966 5.580 0.080 4 0 "[ . 1 . 2]" 1
1077 1 41 ILE MG 1 42 ASN QD . . 5.200 4.285 2.524 5.268 0.068 11 0 "[ . 1 . 2]" 1
1078 1 42 ASN H 1 42 ASN QB . . 2.860 2.306 2.136 2.485 . 0 0 "[ . 1 . 2]" 1
1079 1 42 ASN H 1 43 ASP H . . 3.210 2.738 2.511 3.100 . 0 0 "[ . 1 . 2]" 1
1080 1 42 ASN H 1 44 LYS H . . 4.730 3.877 3.425 4.324 . 0 0 "[ . 1 . 2]" 1
1081 1 42 ASN H 1 44 LYS HB2 . . 4.880 4.647 4.073 4.947 0.067 15 0 "[ . 1 . 2]" 1
1082 1 42 ASN H 1 44 LYS QG . . 5.340 4.927 4.165 5.345 0.005 9 0 "[ . 1 . 2]" 1
1083 1 42 ASN QB 1 43 ASP H . . 3.740 3.484 3.038 3.805 0.065 19 0 "[ . 1 . 2]" 1
1084 1 42 ASN QB 1 44 LYS H . . 4.240 3.150 2.671 3.510 . 0 0 "[ . 1 . 2]" 1
1085 1 42 ASN QB 1 44 LYS HB2 . . 5.040 2.831 2.346 3.519 . 0 0 "[ . 1 . 2]" 1
1086 1 42 ASN QB 1 44 LYS QG . . 3.850 2.551 1.997 3.200 . 0 0 "[ . 1 . 2]" 1
1087 1 42 ASN HB2 1 43 ASP H . . 4.500 3.875 3.234 4.564 0.064 8 0 "[ . 1 . 2]" 1
1088 1 42 ASN HB2 1 44 LYS HG2 . . 4.970 4.022 2.480 5.045 0.075 13 0 "[ . 1 . 2]" 1
1089 1 42 ASN HB2 1 44 LYS HG3 . . 4.970 3.903 2.860 5.048 0.078 12 0 "[ . 1 . 2]" 1
1090 1 42 ASN HB3 1 43 ASP H . . 4.500 4.090 3.275 4.505 0.005 19 0 "[ . 1 . 2]" 1
1091 1 42 ASN HB3 1 44 LYS HG2 . . 4.970 3.162 2.517 4.445 . 0 0 "[ . 1 . 2]" 1
1092 1 42 ASN HB3 1 44 LYS HG3 . . 4.970 3.140 2.021 4.061 . 0 0 "[ . 1 . 2]" 1
1093 1 43 ASP H 1 43 ASP HA . . 2.740 2.218 2.152 2.276 . 0 0 "[ . 1 . 2]" 1
1094 1 43 ASP H 1 43 ASP HB2 . . 4.100 3.259 2.944 3.669 . 0 0 "[ . 1 . 2]" 1
1095 1 43 ASP H 1 43 ASP QB . . 3.270 3.084 2.835 3.372 0.102 15 0 "[ . 1 . 2]" 1
1096 1 43 ASP H 1 43 ASP HB3 . . 4.100 3.825 3.459 4.157 0.057 8 0 "[ . 1 . 2]" 1
1097 1 43 ASP H 1 44 LYS H . . 3.380 2.684 2.492 2.865 . 0 0 "[ . 1 . 2]" 1
1098 1 43 ASP H 1 44 LYS QG . . 5.340 4.554 4.276 4.971 . 0 0 "[ . 1 . 2]" 1
1099 1 43 ASP HA 1 44 LYS H . . 3.150 2.839 2.436 3.223 0.073 10 0 "[ . 1 . 2]" 1
1100 1 43 ASP HA 1 45 TYR H . . 3.990 3.490 3.069 3.871 . 0 0 "[ . 1 . 2]" 1
1101 1 44 LYS H 1 44 LYS HB2 . . 3.310 2.455 2.198 2.662 . 0 0 "[ . 1 . 2]" 1
1102 1 44 LYS H 1 44 LYS HB3 . . 3.770 3.659 3.492 3.804 0.034 15 0 "[ . 1 . 2]" 1
1103 1 44 LYS H 1 44 LYS QD . . 5.340 4.165 3.443 4.839 . 0 0 "[ . 1 . 2]" 1
1104 1 44 LYS H 1 44 LYS HG2 . . 4.370 3.217 2.466 4.137 . 0 0 "[ . 1 . 2]" 1
1105 1 44 LYS H 1 44 LYS QG . . 3.560 2.974 2.438 3.449 . 0 0 "[ . 1 . 2]" 1
1106 1 44 LYS H 1 44 LYS HG3 . . 4.370 3.949 2.618 4.435 0.065 4 0 "[ . 1 . 2]" 1
1107 1 44 LYS H 1 45 TYR HB3 . . 5.240 4.633 4.060 5.317 0.077 10 0 "[ . 1 . 2]" 1
1108 1 44 LYS HA 1 44 LYS QD . . 3.780 2.481 2.038 3.879 0.099 10 0 "[ . 1 . 2]" 1
1109 1 44 LYS HA 1 44 LYS QG . . 3.730 2.737 2.200 3.088 . 0 0 "[ . 1 . 2]" 1
1110 1 44 LYS HA 1 45 TYR H . . 3.500 3.393 3.231 3.532 0.032 8 0 "[ . 1 . 2]" 1
1111 1 44 LYS HB2 1 45 TYR H . . 5.130 3.485 2.933 3.976 . 0 0 "[ . 1 . 2]" 1
1112 1 44 LYS HB3 1 44 LYS QD . . 3.510 2.507 2.217 3.133 . 0 0 "[ . 1 . 2]" 1
1113 1 44 LYS HB3 1 45 TYR H . . 4.440 4.130 3.694 4.473 0.033 17 0 "[ . 1 . 2]" 1
1114 1 44 LYS QD 1 45 TYR H . . 5.340 5.148 4.905 5.423 0.083 16 0 "[ . 1 . 2]" 1
1115 1 45 TYR H 1 45 TYR HB2 . . 3.370 2.544 2.261 2.765 . 0 0 "[ . 1 . 2]" 1
1116 1 45 TYR H 1 45 TYR HB3 . . 3.310 2.591 2.349 2.781 . 0 0 "[ . 1 . 2]" 1
1117 1 45 TYR H 1 45 TYR QD . . 4.280 4.215 3.994 4.300 0.020 2 0 "[ . 1 . 2]" 1
1118 1 45 TYR H 1 49 ASN QD . . 5.340 3.913 3.261 4.842 . 0 0 "[ . 1 . 2]" 1
1119 1 45 TYR HA 1 45 TYR QD . . 3.180 2.523 2.232 3.128 . 0 0 "[ . 1 . 2]" 1
1120 1 45 TYR HA 1 45 TYR QE . . 4.880 4.470 4.262 4.844 . 0 0 "[ . 1 . 2]" 1
1121 1 45 TYR HB3 1 49 ASN HD21 . . 4.790 3.587 2.384 4.696 . 0 0 "[ . 1 . 2]" 1
1122 1 45 TYR HB3 1 49 ASN QD . . 4.210 2.795 2.219 3.817 . 0 0 "[ . 1 . 2]" 1
1123 1 45 TYR HB3 1 49 ASN HD22 . . 4.790 3.033 2.354 4.718 . 0 0 "[ . 1 . 2]" 1
1124 1 45 TYR QD 1 47 GLY QA . . 4.870 4.221 3.592 4.976 0.106 18 0 "[ . 1 . 2]" 1
1125 1 45 TYR QD 1 49 ASN HA . . 3.610 2.694 2.325 3.287 . 0 0 "[ . 1 . 2]" 1
1126 1 45 TYR QD 1 49 ASN QB . . 4.390 3.781 3.250 4.117 . 0 0 "[ . 1 . 2]" 1
1127 1 45 TYR QD 1 52 VAL HB . . 4.970 4.155 3.665 4.841 . 0 0 "[ . 1 . 2]" 1
1128 1 45 TYR QD 1 52 VAL MG1 . . 4.630 4.055 3.704 4.505 . 0 0 "[ . 1 . 2]" 1
1129 1 45 TYR QD 1 52 VAL QG . . 3.770 3.104 2.515 3.678 . 0 0 "[ . 1 . 2]" 1
1130 1 45 TYR QD 1 52 VAL MG2 . . 4.630 3.234 2.547 3.900 . 0 0 "[ . 1 . 2]" 1
1131 1 45 TYR QE 1 47 GLY QA . . 4.190 3.607 2.742 4.305 0.115 13 0 "[ . 1 . 2]" 1
1132 1 45 TYR QE 1 49 ASN HA . . 3.900 3.269 2.646 3.804 . 0 0 "[ . 1 . 2]" 1
1133 1 45 TYR QE 1 49 ASN QB . . 5.340 4.924 4.574 5.351 0.011 1 0 "[ . 1 . 2]" 1
1134 1 45 TYR QE 1 52 VAL HB . . 4.360 4.178 3.579 4.444 0.084 10 0 "[ . 1 . 2]" 1
1135 1 45 TYR QE 1 52 VAL MG1 . . 4.440 4.259 3.938 4.519 0.079 20 0 "[ . 1 . 2]" 1
1136 1 45 TYR QE 1 52 VAL QG . . 3.370 2.453 2.145 2.924 . 0 0 "[ . 1 . 2]" 1
1137 1 45 TYR QE 1 52 VAL MG2 . . 4.440 2.470 2.155 2.969 . 0 0 "[ . 1 . 2]" 1
1138 1 49 ASN H 1 49 ASN QD . . 5.090 3.751 1.982 4.457 . 0 0 "[ . 1 . 2]" 1
1139 1 49 ASN H 1 50 GLU H . . 3.780 2.747 2.574 3.075 . 0 0 "[ . 1 . 2]" 1
1140 1 49 ASN H 1 51 ARG H . . 5.500 4.357 4.109 4.659 . 0 0 "[ . 1 . 2]" 1
1141 1 49 ASN HA 1 49 ASN QD . . 4.240 3.494 2.520 4.093 . 0 0 "[ . 1 . 2]" 1
1142 1 49 ASN HA 1 49 ASN HD22 . . 4.990 4.241 3.579 4.645 . 0 0 "[ . 1 . 2]" 1
1143 1 49 ASN HA 1 52 VAL H . . 4.200 3.428 3.102 3.675 . 0 0 "[ . 1 . 2]" 1
1144 1 49 ASN HA 1 52 VAL HB . . 4.090 2.702 2.410 3.006 . 0 0 "[ . 1 . 2]" 1
1145 1 49 ASN HA 1 52 VAL MG1 . . 5.200 4.006 3.680 4.357 . 0 0 "[ . 1 . 2]" 1
1146 1 49 ASN HA 1 52 VAL QG . . 3.920 2.950 2.357 3.390 . 0 0 "[ . 1 . 2]" 1
1147 1 49 ASN HA 1 52 VAL MG2 . . 5.200 3.061 2.371 3.602 . 0 0 "[ . 1 . 2]" 1
1148 1 49 ASN HA 1 53 SER H . . 5.350 3.989 3.696 4.220 . 0 0 "[ . 1 . 2]" 1
1149 1 49 ASN QB 1 52 VAL QG . . 5.280 4.229 3.762 4.625 . 0 0 "[ . 1 . 2]" 1
1150 1 50 GLU H 1 50 GLU QG . . 4.630 2.836 1.915 4.002 . 0 0 "[ . 1 . 2]" 1
1151 1 50 GLU H 1 51 ARG H . . 5.500 2.727 2.598 2.918 . 0 0 "[ . 1 . 2]" 1
1152 1 50 GLU QB 1 51 ARG H . . 3.310 2.876 2.357 3.401 0.091 3 0 "[ . 1 . 2]" 1
1153 1 50 GLU QG 1 51 ARG H . . 4.960 3.682 1.854 4.760 . 0 0 "[ . 1 . 2]" 1
1154 1 51 ARG H 1 51 ARG HB2 . . 3.470 2.454 2.223 2.664 . 0 0 "[ . 1 . 2]" 1
1155 1 51 ARG H 1 51 ARG QB . . 2.940 2.233 2.160 2.296 . 0 0 "[ . 1 . 2]" 1
1156 1 51 ARG H 1 51 ARG HB3 . . 3.470 2.608 2.384 2.997 . 0 0 "[ . 1 . 2]" 1
1157 1 51 ARG H 1 51 ARG QD . . 5.500 4.396 3.550 4.798 . 0 0 "[ . 1 . 2]" 1
1158 1 51 ARG H 1 51 ARG HG2 . . 4.690 4.553 4.429 4.655 . 0 0 "[ . 1 . 2]" 1
1159 1 51 ARG H 1 51 ARG QG . . 4.090 4.023 3.946 4.134 0.044 9 0 "[ . 1 . 2]" 1
1160 1 51 ARG H 1 51 ARG HG3 . . 4.690 4.483 4.329 4.656 . 0 0 "[ . 1 . 2]" 1
1161 1 51 ARG H 1 52 VAL H . . 3.650 2.566 2.298 2.789 . 0 0 "[ . 1 . 2]" 1
1162 1 51 ARG H 1 52 VAL QG . . 4.660 3.953 3.656 4.317 . 0 0 "[ . 1 . 2]" 1
1163 1 51 ARG H 1 53 SER H . . 5.500 4.201 3.917 4.410 . 0 0 "[ . 1 . 2]" 1
1164 1 51 ARG HA 1 54 GLN H . . 4.810 3.776 3.458 4.012 . 0 0 "[ . 1 . 2]" 1
1165 1 51 ARG HA 1 55 THR H . . 4.630 4.339 4.036 4.680 0.050 15 0 "[ . 1 . 2]" 1
1166 1 51 ARG QB 1 52 VAL H . . 3.420 2.528 2.282 2.817 . 0 0 "[ . 1 . 2]" 1
1167 1 51 ARG QG 1 55 THR H . . 5.340 4.647 4.209 5.397 0.057 9 0 "[ . 1 . 2]" 1
1168 1 52 VAL H 1 52 VAL HB . . 2.800 2.426 2.229 2.630 . 0 0 "[ . 1 . 2]" 1
1169 1 52 VAL H 1 52 VAL MG1 . . 3.950 3.746 3.672 3.811 . 0 0 "[ . 1 . 2]" 1
1170 1 52 VAL H 1 52 VAL QG . . 2.740 2.142 1.946 2.323 . 0 0 "[ . 1 . 2]" 1
1171 1 52 VAL H 1 52 VAL MG2 . . 3.950 2.156 1.953 2.345 . 0 0 "[ . 1 . 2]" 1
1172 1 52 VAL H 1 53 SER H . . 3.210 2.811 2.676 2.960 . 0 0 "[ . 1 . 2]" 1
1173 1 52 VAL H 1 54 GLN H . . 4.480 4.371 4.195 4.536 0.056 15 0 "[ . 1 . 2]" 1
1174 1 52 VAL HA 1 52 VAL MG1 . . 3.370 2.463 2.363 2.565 . 0 0 "[ . 1 . 2]" 1
1175 1 52 VAL HA 1 52 VAL QG . . 2.880 2.140 2.088 2.183 . 0 0 "[ . 1 . 2]" 1
1176 1 52 VAL HA 1 52 VAL MG2 . . 3.370 2.359 2.236 2.446 . 0 0 "[ . 1 . 2]" 1
1177 1 52 VAL HA 1 54 GLN H . . 5.000 4.719 4.532 4.916 . 0 0 "[ . 1 . 2]" 1
1178 1 52 VAL HA 1 55 THR H . . 3.610 3.480 3.303 3.630 0.020 20 0 "[ . 1 . 2]" 1
1179 1 52 VAL HA 1 55 THR HB . . 3.570 2.879 2.720 3.128 . 0 0 "[ . 1 . 2]" 1
1180 1 52 VAL HA 1 55 THR MG . . 4.490 4.188 3.959 4.388 . 0 0 "[ . 1 . 2]" 1
1181 1 52 VAL HA 1 56 LEU H . . 4.420 4.196 4.057 4.376 . 0 0 "[ . 1 . 2]" 1
1182 1 52 VAL HA 1 56 LEU MD1 . . 5.000 4.357 3.989 4.720 . 0 0 "[ . 1 . 2]" 1
1183 1 52 VAL HB 1 53 SER H . . 3.060 2.581 2.398 2.725 . 0 0 "[ . 1 . 2]" 1
1184 1 52 VAL HB 1 55 THR H . . 5.500 5.559 5.518 5.583 0.083 1 0 "[ . 1 . 2]" 1
1185 1 52 VAL QG 1 53 SER H . . 3.350 3.154 2.988 3.372 0.022 2 0 "[ . 1 . 2]" 1
1186 1 52 VAL QG 1 53 SER HA . . 4.480 3.449 3.262 3.724 . 0 0 "[ . 1 . 2]" 1
1187 1 52 VAL QG 1 55 THR H . . 4.500 4.386 4.250 4.551 0.051 20 0 "[ . 1 . 2]" 1
1188 1 52 VAL QG 1 55 THR HB . . 4.460 3.742 3.526 3.947 . 0 0 "[ . 1 . 2]" 1
1189 1 52 VAL QG 1 56 LEU H . . 4.180 4.061 3.884 4.247 0.067 12 0 "[ . 1 . 2]" 1
1190 1 52 VAL QG 1 56 LEU HG . . 3.760 2.868 2.490 3.102 . 0 0 "[ . 1 . 2]" 1
1191 1 52 VAL MG1 1 53 SER H . . 3.900 3.328 3.092 3.686 . 0 0 "[ . 1 . 2]" 1
1192 1 52 VAL MG1 1 55 THR H . . 5.350 4.711 4.554 4.950 . 0 0 "[ . 1 . 2]" 1
1193 1 52 VAL MG1 1 55 THR HB . . 5.500 3.966 3.746 4.272 . 0 0 "[ . 1 . 2]" 1
1194 1 52 VAL MG2 1 53 SER H . . 3.900 3.937 3.813 3.996 0.096 4 0 "[ . 1 . 2]" 1
1195 1 52 VAL MG2 1 55 THR H . . 5.350 5.233 5.020 5.344 . 0 0 "[ . 1 . 2]" 1
1196 1 52 VAL MG2 1 55 THR HB . . 5.500 4.615 4.301 4.880 . 0 0 "[ . 1 . 2]" 1
1197 1 53 SER H 1 53 SER HB2 . . 3.580 3.525 2.551 3.627 0.047 5 0 "[ . 1 . 2]" 1
1198 1 53 SER H 1 53 SER QB . . 2.920 2.494 2.098 2.823 . 0 0 "[ . 1 . 2]" 1
1199 1 53 SER H 1 53 SER HB3 . . 3.580 2.558 2.232 2.957 . 0 0 "[ . 1 . 2]" 1
1200 1 53 SER H 1 54 GLN H . . 3.280 2.917 2.809 3.054 . 0 0 "[ . 1 . 2]" 1
1201 1 53 SER H 1 55 THR H . . 5.500 4.237 4.150 4.315 . 0 0 "[ . 1 . 2]" 1
1202 1 53 SER H 1 56 LEU MD1 . . 5.500 4.110 3.884 4.372 . 0 0 "[ . 1 . 2]" 1
1203 1 53 SER HA 1 55 THR H . . 5.200 4.329 4.044 4.555 . 0 0 "[ . 1 . 2]" 1
1204 1 53 SER HA 1 56 LEU H . . 3.680 3.394 3.203 3.661 . 0 0 "[ . 1 . 2]" 1
1205 1 53 SER HA 1 56 LEU HB2 . . 3.880 2.631 2.375 2.815 . 0 0 "[ . 1 . 2]" 1
1206 1 53 SER HA 1 56 LEU HB3 . . 4.550 4.266 3.999 4.448 . 0 0 "[ . 1 . 2]" 1
1207 1 53 SER HA 1 56 LEU MD1 . . 4.090 2.517 2.254 3.028 . 0 0 "[ . 1 . 2]" 1
1208 1 53 SER HA 1 57 GLN H . . 4.530 4.096 3.828 4.304 . 0 0 "[ . 1 . 2]" 1
1209 1 53 SER QB 1 54 GLN H . . 3.950 3.277 2.494 3.480 . 0 0 "[ . 1 . 2]" 1
1210 1 53 SER QB 1 56 LEU H . . 5.340 4.863 4.674 5.059 . 0 0 "[ . 1 . 2]" 1
1211 1 54 GLN H 1 54 GLN HB2 . . 2.780 2.386 2.281 2.602 . 0 0 "[ . 1 . 2]" 1
1212 1 54 GLN H 1 54 GLN HB3 . . 3.700 3.571 3.540 3.621 . 0 0 "[ . 1 . 2]" 1
1213 1 54 GLN H 1 54 GLN HG2 . . 3.060 2.401 2.216 2.622 . 0 0 "[ . 1 . 2]" 1
1214 1 54 GLN H 1 54 GLN HG3 . . 4.000 3.648 3.279 3.883 . 0 0 "[ . 1 . 2]" 1
1215 1 54 GLN H 1 56 LEU H . . 4.610 4.246 4.157 4.387 . 0 0 "[ . 1 . 2]" 1
1216 1 54 GLN HA 1 54 GLN HG2 . . 4.180 2.937 2.610 3.398 . 0 0 "[ . 1 . 2]" 1
1217 1 54 GLN HA 1 57 GLN H . . 3.790 3.327 3.161 3.474 . 0 0 "[ . 1 . 2]" 1
1218 1 54 GLN HA 1 57 GLN HB2 . . 4.080 2.668 2.224 3.228 . 0 0 "[ . 1 . 2]" 1
1219 1 54 GLN HA 1 57 GLN HG2 . . 4.520 3.902 3.567 4.193 . 0 0 "[ . 1 . 2]" 1
1220 1 54 GLN HA 1 57 GLN HG3 . . 4.760 2.400 2.140 2.797 . 0 0 "[ . 1 . 2]" 1
1221 1 54 GLN HB2 1 54 GLN HE22 . . 5.500 5.209 4.956 5.396 . 0 0 "[ . 1 . 2]" 1
1222 1 54 GLN HB2 1 55 THR H . . 3.410 2.923 2.721 3.089 . 0 0 "[ . 1 . 2]" 1
1223 1 54 GLN HB2 1 56 LEU H . . 5.390 5.182 5.078 5.339 . 0 0 "[ . 1 . 2]" 1
1224 1 54 GLN HB3 1 55 THR H . . 3.710 3.714 3.513 3.794 0.084 15 0 "[ . 1 . 2]" 1
1225 1 54 GLN QE 1 57 GLN HB2 . . 5.340 3.828 3.093 4.180 . 0 0 "[ . 1 . 2]" 1
1226 1 54 GLN QE 1 57 GLN HG3 . . 4.790 2.888 2.535 3.476 . 0 0 "[ . 1 . 2]" 1
1227 1 54 GLN HE21 1 57 GLN HB3 . . 5.500 5.194 4.318 5.572 0.072 19 0 "[ . 1 . 2]" 1
1228 1 54 GLN HE21 1 57 GLN HG2 . . 5.500 4.759 4.165 5.514 0.014 1 0 "[ . 1 . 2]" 1
1229 1 54 GLN HE21 1 57 GLN HG3 . . 5.500 3.239 2.720 3.938 . 0 0 "[ . 1 . 2]" 1
1230 1 54 GLN HE22 1 57 GLN HB3 . . 5.500 4.668 4.075 5.446 . 0 0 "[ . 1 . 2]" 1
1231 1 54 GLN HE22 1 57 GLN HG2 . . 5.500 4.944 4.155 5.582 0.082 13 0 "[ . 1 . 2]" 1
1232 1 54 GLN HE22 1 57 GLN HG3 . . 5.500 3.464 2.742 4.362 . 0 0 "[ . 1 . 2]" 1
1233 1 54 GLN HG2 1 55 THR H . . 5.020 4.686 4.437 4.894 . 0 0 "[ . 1 . 2]" 1
1234 1 54 GLN HG3 1 55 THR H . . 5.500 5.232 5.008 5.423 . 0 0 "[ . 1 . 2]" 1
1235 1 55 THR H 1 55 THR HB . . 2.710 2.500 2.261 2.722 0.012 6 0 "[ . 1 . 2]" 1
1236 1 55 THR H 1 55 THR MG . . 4.050 3.767 3.705 3.835 . 0 0 "[ . 1 . 2]" 1
1237 1 55 THR H 1 56 LEU H . . 3.060 2.550 2.385 2.657 . 0 0 "[ . 1 . 2]" 1
1238 1 55 THR H 1 56 LEU HB2 . . 4.950 4.650 4.460 4.858 . 0 0 "[ . 1 . 2]" 1
1239 1 55 THR H 1 56 LEU MD1 . . 5.500 5.050 4.813 5.252 . 0 0 "[ . 1 . 2]" 1
1240 1 55 THR H 1 56 LEU MD2 . . 5.500 5.542 5.412 5.600 0.100 18 0 "[ . 1 . 2]" 1
1241 1 55 THR H 1 56 LEU HG . . 4.650 4.453 4.254 4.618 . 0 0 "[ . 1 . 2]" 1
1242 1 55 THR H 1 57 GLN H . . 4.400 4.000 3.749 4.162 . 0 0 "[ . 1 . 2]" 1
1243 1 55 THR H 1 57 GLN HG3 . . 5.500 5.237 4.809 5.588 0.088 11 0 "[ . 1 . 2]" 1
1244 1 55 THR HA 1 55 THR MG . . 3.480 2.393 2.224 2.541 . 0 0 "[ . 1 . 2]" 1
1245 1 55 THR HA 1 56 LEU HA . . 5.150 4.801 4.724 4.860 . 0 0 "[ . 1 . 2]" 1
1246 1 55 THR HA 1 57 GLN H . . 4.790 4.349 4.192 4.580 . 0 0 "[ . 1 . 2]" 1
1247 1 55 THR HA 1 58 ARG H . . 4.090 3.748 3.506 3.916 . 0 0 "[ . 1 . 2]" 1
1248 1 55 THR HA 1 58 ARG QB . . 4.470 3.362 3.007 3.847 . 0 0 "[ . 1 . 2]" 1
1249 1 55 THR HA 1 58 ARG QD . . 4.930 3.924 2.884 4.965 0.035 12 0 "[ . 1 . 2]" 1
1250 1 55 THR HA 1 59 TRP H . . 5.220 4.627 4.223 5.109 . 0 0 "[ . 1 . 2]" 1
1251 1 55 THR HB 1 56 LEU H . . 3.030 2.779 2.613 3.046 0.016 12 0 "[ . 1 . 2]" 1
1252 1 55 THR HB 1 56 LEU HB2 . . 5.500 4.921 4.723 5.188 . 0 0 "[ . 1 . 2]" 1
1253 1 55 THR HB 1 56 LEU HG . . 4.720 3.460 3.234 3.738 . 0 0 "[ . 1 . 2]" 1
1254 1 55 THR MG 1 56 LEU H . . 4.050 3.705 3.347 3.890 . 0 0 "[ . 1 . 2]" 1
1255 1 55 THR MG 1 58 ARG H . . 5.190 5.004 4.810 5.221 0.031 9 0 "[ . 1 . 2]" 1
1256 1 55 THR MG 1 59 TRP H . . 4.580 4.562 4.209 4.677 0.097 13 0 "[ . 1 . 2]" 1
1257 1 55 THR MG 1 59 TRP HB2 . . 5.140 4.169 3.704 4.506 . 0 0 "[ . 1 . 2]" 1
1258 1 56 LEU H 1 56 LEU HB2 . . 2.850 2.374 2.335 2.451 . 0 0 "[ . 1 . 2]" 1
1259 1 56 LEU H 1 56 LEU HB3 . . 3.770 3.578 3.553 3.605 . 0 0 "[ . 1 . 2]" 1
1260 1 56 LEU H 1 56 LEU MD1 . . 3.860 3.490 3.328 3.670 . 0 0 "[ . 1 . 2]" 1
1261 1 56 LEU H 1 56 LEU MD2 . . 3.670 3.662 3.530 3.745 0.075 12 0 "[ . 1 . 2]" 1
1262 1 56 LEU H 1 56 LEU HG . . 2.780 2.462 2.227 2.646 . 0 0 "[ . 1 . 2]" 1
1263 1 56 LEU H 1 57 GLN H . . 3.010 2.580 2.422 2.732 . 0 0 "[ . 1 . 2]" 1
1264 1 56 LEU H 1 57 GLN HA . . 5.500 5.210 5.072 5.343 . 0 0 "[ . 1 . 2]" 1
1265 1 56 LEU H 1 57 GLN HB2 . . 5.500 4.719 4.317 5.056 . 0 0 "[ . 1 . 2]" 1
1266 1 56 LEU H 1 57 GLN HG2 . . 4.950 4.984 4.764 5.037 0.087 12 0 "[ . 1 . 2]" 1
1267 1 56 LEU H 1 58 ARG H . . 4.480 4.481 4.339 4.559 0.079 9 0 "[ . 1 . 2]" 1
1268 1 56 LEU HA 1 56 LEU MD1 . . 4.650 3.887 3.846 3.919 . 0 0 "[ . 1 . 2]" 1
1269 1 56 LEU HA 1 56 LEU MD2 . . 2.910 2.137 2.046 2.207 . 0 0 "[ . 1 . 2]" 1
1270 1 56 LEU HA 1 56 LEU HG . . 3.780 2.942 2.843 3.082 . 0 0 "[ . 1 . 2]" 1
1271 1 56 LEU HA 1 58 ARG H . . 4.850 4.592 4.409 4.787 . 0 0 "[ . 1 . 2]" 1
1272 1 56 LEU HA 1 59 TRP H . . 3.580 3.409 3.252 3.595 0.015 19 0 "[ . 1 . 2]" 1
1273 1 56 LEU HA 1 59 TRP HB2 . . 3.760 3.606 3.263 3.827 0.067 3 0 "[ . 1 . 2]" 1
1274 1 56 LEU HA 1 59 TRP HB3 . . 4.190 2.587 2.309 2.911 . 0 0 "[ . 1 . 2]" 1
1275 1 56 LEU HA 1 59 TRP HE3 . . 4.650 3.997 3.663 4.381 . 0 0 "[ . 1 . 2]" 1
1276 1 56 LEU HA 1 60 LEU H . . 4.370 3.929 3.776 4.125 . 0 0 "[ . 1 . 2]" 1
1277 1 56 LEU HA 1 60 LEU QD . . 5.440 4.584 3.945 5.370 . 0 0 "[ . 1 . 2]" 1
1278 1 56 LEU HB2 1 56 LEU MD1 . . 3.290 2.293 2.256 2.330 . 0 0 "[ . 1 . 2]" 1
1279 1 56 LEU HB2 1 57 GLN H . . 3.400 2.846 2.582 3.213 . 0 0 "[ . 1 . 2]" 1
1280 1 56 LEU HB3 1 56 LEU MD1 . . 3.310 2.462 2.344 2.555 . 0 0 "[ . 1 . 2]" 1
1281 1 56 LEU HB3 1 56 LEU MD2 . . 3.550 2.365 2.292 2.486 . 0 0 "[ . 1 . 2]" 1
1282 1 56 LEU HB3 1 57 GLN H . . 4.320 3.748 3.524 3.999 . 0 0 "[ . 1 . 2]" 1
1283 1 56 LEU HB3 1 60 LEU H . . 5.280 4.595 4.210 4.832 . 0 0 "[ . 1 . 2]" 1
1284 1 56 LEU MD1 1 57 GLN H . . 5.230 4.650 4.431 4.997 . 0 0 "[ . 1 . 2]" 1
1285 1 56 LEU MD2 1 57 GLN H . . 4.850 4.852 4.750 4.917 0.067 5 0 "[ . 1 . 2]" 1
1286 1 56 LEU MD2 1 59 TRP H . . 5.040 4.944 4.691 5.113 0.073 4 0 "[ . 1 . 2]" 1
1287 1 56 LEU MD2 1 59 TRP HB2 . . 4.510 4.296 3.745 4.585 0.075 6 0 "[ . 1 . 2]" 1
1288 1 56 LEU MD2 1 59 TRP HE3 . . 4.330 3.865 3.366 4.394 0.064 3 0 "[ . 1 . 2]" 1
1289 1 56 LEU MD2 1 59 TRP HZ3 . . 4.990 4.828 4.285 5.085 0.095 10 0 "[ . 1 . 2]" 1
1290 1 56 LEU MD2 1 60 LEU H . . 5.270 4.952 4.586 5.319 0.049 16 0 "[ . 1 . 2]" 1
1291 1 56 LEU MD2 1 60 LEU QD . . 5.000 4.136 3.533 5.017 0.017 20 0 "[ . 1 . 2]" 1
1292 1 56 LEU HG 1 57 GLN H . . 4.850 4.564 4.404 4.768 . 0 0 "[ . 1 . 2]" 1
1293 1 57 GLN H 1 57 GLN HB2 . . 2.870 2.470 2.172 2.719 . 0 0 "[ . 1 . 2]" 1
1294 1 57 GLN H 1 57 GLN HG2 . . 2.880 2.771 2.500 2.931 0.051 14 0 "[ . 1 . 2]" 1
1295 1 57 GLN H 1 57 GLN HG3 . . 3.610 2.871 2.330 3.455 . 0 0 "[ . 1 . 2]" 1
1296 1 57 GLN H 1 58 ARG H . . 3.030 2.884 2.657 3.018 . 0 0 "[ . 1 . 2]" 1
1297 1 57 GLN H 1 59 TRP H . . 4.480 4.190 3.806 4.452 . 0 0 "[ . 1 . 2]" 1
1298 1 57 GLN HA 1 57 GLN QE . . 4.440 3.162 2.137 4.287 . 0 0 "[ . 1 . 2]" 1
1299 1 57 GLN HA 1 57 GLN HG2 . . 3.690 2.397 2.303 2.613 . 0 0 "[ . 1 . 2]" 1
1300 1 57 GLN HA 1 57 GLN HG3 . . 4.200 3.567 3.384 3.734 . 0 0 "[ . 1 . 2]" 1
1301 1 57 GLN HA 1 60 LEU H . . 3.620 3.545 3.343 3.683 0.063 15 0 "[ . 1 . 2]" 1
1302 1 57 GLN HA 1 60 LEU HB2 . . 3.670 2.845 2.404 3.584 . 0 0 "[ . 1 . 2]" 1
1303 1 57 GLN HA 1 60 LEU QD . . 4.310 3.466 2.800 4.395 0.085 9 0 "[ . 1 . 2]" 1
1304 1 57 GLN HA 1 61 GLU H . . 4.280 4.000 3.657 4.242 . 0 0 "[ . 1 . 2]" 1
1305 1 57 GLN HB2 1 58 ARG H . . 3.140 2.457 2.239 2.681 . 0 0 "[ . 1 . 2]" 1
1306 1 57 GLN HB3 1 57 GLN HE21 . . 4.130 2.613 1.954 3.791 . 0 0 "[ . 1 . 2]" 1
1307 1 57 GLN HB3 1 57 GLN QE . . 3.360 2.518 1.943 3.433 0.073 11 0 "[ . 1 . 2]" 1
1308 1 57 GLN HB3 1 57 GLN HE22 . . 4.130 3.487 3.262 3.923 . 0 0 "[ . 1 . 2]" 1
1309 1 57 GLN HB3 1 58 ARG H . . 3.820 3.318 2.932 3.663 . 0 0 "[ . 1 . 2]" 1
1310 1 57 GLN HB3 1 58 ARG HA . . 5.130 4.231 4.043 4.482 . 0 0 "[ . 1 . 2]" 1
1311 1 57 GLN HG3 1 58 ARG H . . 4.840 4.469 4.091 4.888 0.048 19 0 "[ . 1 . 2]" 1
1312 1 58 ARG H 1 58 ARG QB . . 2.720 2.392 2.194 2.560 . 0 0 "[ . 1 . 2]" 1
1313 1 58 ARG H 1 58 ARG QD . . 4.350 3.951 3.070 4.396 0.046 19 0 "[ . 1 . 2]" 1
1314 1 58 ARG H 1 58 ARG HG2 . . 3.860 3.392 2.167 3.930 0.070 9 0 "[ . 1 . 2]" 1
1315 1 58 ARG H 1 58 ARG QG . . 3.010 2.388 2.119 2.848 . 0 0 "[ . 1 . 2]" 1
1316 1 58 ARG H 1 58 ARG HG3 . . 3.860 2.515 2.157 3.645 . 0 0 "[ . 1 . 2]" 1
1317 1 58 ARG H 1 59 TRP H . . 3.130 2.785 2.658 2.868 . 0 0 "[ . 1 . 2]" 1
1318 1 58 ARG H 1 59 TRP HB3 . . 4.930 4.904 4.704 4.997 0.067 13 0 "[ . 1 . 2]" 1
1319 1 58 ARG H 1 60 LEU H . . 4.740 4.380 4.247 4.583 . 0 0 "[ . 1 . 2]" 1
1320 1 58 ARG HA 1 58 ARG QD . . 4.610 3.918 2.466 4.227 . 0 0 "[ . 1 . 2]" 1
1321 1 58 ARG HA 1 58 ARG QG . . 3.690 2.317 2.112 3.136 . 0 0 "[ . 1 . 2]" 1
1322 1 58 ARG HA 1 61 GLU H . . 3.730 3.545 3.416 3.805 0.075 13 0 "[ . 1 . 2]" 1
1323 1 58 ARG HA 1 61 GLU QB . . 3.700 2.743 2.317 3.809 0.109 15 0 "[ . 1 . 2]" 1
1324 1 58 ARG HA 1 61 GLU QG . . 5.340 3.398 2.018 4.336 . 0 0 "[ . 1 . 2]" 1
1325 1 58 ARG HA 1 62 LYS H . . 4.880 4.347 4.048 4.692 . 0 0 "[ . 1 . 2]" 1
1326 1 58 ARG QB 1 59 TRP H . . 2.940 2.651 2.406 2.858 . 0 0 "[ . 1 . 2]" 1
1327 1 58 ARG HB2 1 59 TRP H . . 3.520 2.744 2.451 3.000 . 0 0 "[ . 1 . 2]" 1
1328 1 58 ARG HB3 1 59 TRP H . . 3.520 3.553 3.413 3.609 0.089 20 0 "[ . 1 . 2]" 1
1329 1 58 ARG QG 1 59 TRP H . . 4.490 4.204 3.971 4.442 . 0 0 "[ . 1 . 2]" 1
1330 1 58 ARG HG2 1 59 TRP H . . 5.170 4.952 4.234 5.123 . 0 0 "[ . 1 . 2]" 1
1331 1 58 ARG HG3 1 59 TRP H . . 5.170 4.567 4.200 4.897 . 0 0 "[ . 1 . 2]" 1
1332 1 59 TRP H 1 59 TRP HB2 . . 2.790 2.593 2.418 2.822 0.032 20 0 "[ . 1 . 2]" 1
1333 1 59 TRP H 1 59 TRP HB3 . . 2.790 2.404 2.270 2.510 . 0 0 "[ . 1 . 2]" 1
1334 1 59 TRP H 1 59 TRP HD1 . . 5.320 5.013 4.797 5.218 . 0 0 "[ . 1 . 2]" 1
1335 1 59 TRP H 1 59 TRP HE3 . . 4.600 4.516 4.281 4.673 0.073 19 0 "[ . 1 . 2]" 1
1336 1 59 TRP H 1 60 LEU H . . 2.940 2.727 2.423 2.969 0.029 11 0 "[ . 1 . 2]" 1
1337 1 59 TRP H 1 62 LYS QG . . 5.340 4.744 4.396 5.328 . 0 0 "[ . 1 . 2]" 1
1338 1 59 TRP HA 1 59 TRP HD1 . . 3.640 3.104 2.833 3.415 . 0 0 "[ . 1 . 2]" 1
1339 1 59 TRP HA 1 59 TRP HE3 . . 4.810 4.548 4.331 4.757 . 0 0 "[ . 1 . 2]" 1
1340 1 59 TRP HA 1 62 LYS H . . 4.350 3.705 3.400 4.115 . 0 0 "[ . 1 . 2]" 1
1341 1 59 TRP HA 1 62 LYS QB . . 4.480 4.281 3.766 4.573 0.093 13 0 "[ . 1 . 2]" 1
1342 1 59 TRP HA 1 62 LYS QG . . 4.450 2.420 2.037 2.987 . 0 0 "[ . 1 . 2]" 1
1343 1 59 TRP HA 1 63 TYR QD . . 5.240 4.573 4.079 4.971 . 0 0 "[ . 1 . 2]" 1
1344 1 59 TRP HB2 1 59 TRP HD1 . . 3.440 2.688 2.520 2.792 . 0 0 "[ . 1 . 2]" 1
1345 1 59 TRP HB2 1 59 TRP HE3 . . 4.110 4.122 4.036 4.170 0.060 11 0 "[ . 1 . 2]" 1
1346 1 59 TRP HB2 1 60 LEU H . . 4.160 3.954 3.777 4.095 . 0 0 "[ . 1 . 2]" 1
1347 1 59 TRP HB3 1 59 TRP HE3 . . 3.640 2.600 2.494 2.734 . 0 0 "[ . 1 . 2]" 1
1348 1 59 TRP HB3 1 60 LEU H . . 3.030 2.605 2.366 2.813 . 0 0 "[ . 1 . 2]" 1
1349 1 59 TRP HD1 1 63 TYR QD . . 4.960 4.417 4.074 4.741 . 0 0 "[ . 1 . 2]" 1
1350 1 59 TRP HD1 1 63 TYR QE . . 4.910 4.769 4.036 4.997 0.087 2 0 "[ . 1 . 2]" 1
1351 1 59 TRP HE1 1 63 TYR QD . . 5.080 3.551 2.774 4.132 . 0 0 "[ . 1 . 2]" 1
1352 1 59 TRP HE1 1 63 TYR QE . . 5.030 2.771 2.498 3.095 . 0 0 "[ . 1 . 2]" 1
1353 1 59 TRP HE3 1 60 LEU H . . 3.190 2.737 2.546 2.968 . 0 0 "[ . 1 . 2]" 1
1354 1 59 TRP HE3 1 60 LEU HA . . 3.500 2.889 2.634 3.353 . 0 0 "[ . 1 . 2]" 1
1355 1 59 TRP HE3 1 60 LEU HB2 . . 3.870 3.497 2.520 3.905 0.035 18 0 "[ . 1 . 2]" 1
1356 1 59 TRP HE3 1 60 LEU HB3 . . 4.710 4.547 4.118 4.775 0.065 18 0 "[ . 1 . 2]" 1
1357 1 59 TRP HE3 1 60 LEU MD1 . . 4.390 3.530 2.771 4.130 . 0 0 "[ . 1 . 2]" 1
1358 1 59 TRP HE3 1 60 LEU QD . . 3.620 3.198 2.746 3.627 0.007 20 0 "[ . 1 . 2]" 1
1359 1 59 TRP HE3 1 60 LEU MD2 . . 4.390 3.772 3.193 4.483 0.093 11 0 "[ . 1 . 2]" 1
1360 1 59 TRP HE3 1 60 LEU HG . . 3.400 2.369 2.004 3.055 . 0 0 "[ . 1 . 2]" 1
1361 1 59 TRP HH2 1 63 TYR HB3 . . 5.500 4.871 4.457 5.390 . 0 0 "[ . 1 . 2]" 1
1362 1 59 TRP HH2 1 63 TYR QD . . 4.110 3.870 3.469 4.185 0.075 19 0 "[ . 1 . 2]" 1
1363 1 59 TRP HZ2 1 63 TYR HB2 . . 5.500 5.126 4.536 5.574 0.074 8 0 "[ . 1 . 2]" 1
1364 1 59 TRP HZ2 1 63 TYR QD . . 4.110 3.810 3.362 4.186 0.076 5 0 "[ . 1 . 2]" 1
1365 1 59 TRP HZ2 1 63 TYR QE . . 4.740 2.878 2.580 3.210 . 0 0 "[ . 1 . 2]" 1
1366 1 59 TRP HZ3 1 60 LEU H . . 5.130 4.846 4.689 5.139 0.009 19 0 "[ . 1 . 2]" 1
1367 1 59 TRP HZ3 1 60 LEU HA . . 4.080 3.510 3.083 3.844 . 0 0 "[ . 1 . 2]" 1
1368 1 59 TRP HZ3 1 60 LEU HB2 . . 4.970 4.761 3.767 5.049 0.079 6 0 "[ . 1 . 2]" 1
1369 1 59 TRP HZ3 1 60 LEU MD1 . . 3.860 3.525 2.357 3.914 0.054 6 0 "[ . 1 . 2]" 1
1370 1 59 TRP HZ3 1 60 LEU QD . . 3.260 2.716 2.203 3.271 0.011 15 0 "[ . 1 . 2]" 1
1371 1 59 TRP HZ3 1 60 LEU MD2 . . 3.860 2.948 2.218 3.931 0.071 11 0 "[ . 1 . 2]" 1
1372 1 59 TRP HZ3 1 60 LEU HG . . 4.480 2.427 2.109 2.710 . 0 0 "[ . 1 . 2]" 1
1373 1 59 TRP HZ3 1 63 TYR HB2 . . 5.080 4.290 3.971 4.705 . 0 0 "[ . 1 . 2]" 1
1374 1 59 TRP HZ3 1 63 TYR HB3 . . 5.500 4.535 4.017 5.064 . 0 0 "[ . 1 . 2]" 1
1375 1 60 LEU H 1 60 LEU HB2 . . 2.770 2.141 2.006 2.241 . 0 0 "[ . 1 . 2]" 1
1376 1 60 LEU H 1 60 LEU HB3 . . 3.580 3.365 2.872 3.549 . 0 0 "[ . 1 . 2]" 1
1377 1 60 LEU H 1 60 LEU MD1 . . 4.570 3.641 3.209 4.078 . 0 0 "[ . 1 . 2]" 1
1378 1 60 LEU H 1 60 LEU QD . . 3.630 3.424 3.102 3.716 0.086 9 0 "[ . 1 . 2]" 1
1379 1 60 LEU H 1 60 LEU MD2 . . 4.570 4.216 3.987 4.322 . 0 0 "[ . 1 . 2]" 1
1380 1 60 LEU H 1 60 LEU HG . . 3.770 3.289 2.772 3.865 0.095 11 0 "[ . 1 . 2]" 1
1381 1 60 LEU H 1 61 GLU H . . 3.100 2.750 2.610 2.965 . 0 0 "[ . 1 . 2]" 1
1382 1 60 LEU H 1 62 LYS QG . . 5.340 4.772 4.483 5.214 . 0 0 "[ . 1 . 2]" 1
1383 1 60 LEU HA 1 60 LEU QD . . 3.340 2.294 2.145 2.812 . 0 0 "[ . 1 . 2]" 1
1384 1 60 LEU HA 1 60 LEU HG . . 3.790 2.320 1.989 2.657 . 0 0 "[ . 1 . 2]" 1
1385 1 60 LEU HA 1 62 LYS H . . 4.710 4.426 4.231 4.677 . 0 0 "[ . 1 . 2]" 1
1386 1 60 LEU HA 1 62 LYS QG . . 5.340 4.659 4.356 5.030 . 0 0 "[ . 1 . 2]" 1
1387 1 60 LEU HA 1 63 TYR H . . 4.020 3.239 3.076 3.392 . 0 0 "[ . 1 . 2]" 1
1388 1 60 LEU HA 1 63 TYR HB2 . . 3.750 2.332 2.061 2.497 . 0 0 "[ . 1 . 2]" 1
1389 1 60 LEU HA 1 63 TYR HB3 . . 3.830 3.090 2.773 3.357 . 0 0 "[ . 1 . 2]" 1
1390 1 60 LEU HA 1 63 TYR QD . . 4.760 4.191 3.577 4.450 . 0 0 "[ . 1 . 2]" 1
1391 1 60 LEU HA 1 64 HIS H . . 4.540 3.706 3.196 4.465 . 0 0 "[ . 1 . 2]" 1
1392 1 60 LEU HA 1 64 HIS HD2 . . 4.460 3.486 2.881 4.213 . 0 0 "[ . 1 . 2]" 1
1393 1 60 LEU HB2 1 60 LEU MD1 . . 3.360 2.253 2.191 2.353 . 0 0 "[ . 1 . 2]" 1
1394 1 60 LEU HB2 1 60 LEU QD . . 2.930 2.212 2.156 2.301 . 0 0 "[ . 1 . 2]" 1
1395 1 60 LEU HB2 1 60 LEU MD2 . . 3.360 3.226 3.145 3.262 . 0 0 "[ . 1 . 2]" 1
1396 1 60 LEU HB2 1 61 GLU H . . 3.510 3.187 2.873 3.576 0.066 11 0 "[ . 1 . 2]" 1
1397 1 60 LEU HB3 1 60 LEU QD . . 3.070 2.167 2.131 2.228 . 0 0 "[ . 1 . 2]" 1
1398 1 60 LEU HB3 1 61 GLU H . . 3.480 3.221 2.591 3.524 0.044 12 0 "[ . 1 . 2]" 1
1399 1 60 LEU HB3 1 61 GLU QG . . 4.430 4.099 3.734 4.530 0.100 15 0 "[ . 1 . 2]" 1
1400 1 60 LEU HB3 1 64 HIS HD2 . . 4.600 3.730 2.597 4.665 0.065 19 0 "[ . 1 . 2]" 1
1401 1 60 LEU QD 1 61 GLU H . . 4.810 4.177 3.821 4.330 . 0 0 "[ . 1 . 2]" 1
1402 1 60 LEU QD 1 63 TYR HB3 . . 4.570 3.026 2.485 3.374 . 0 0 "[ . 1 . 2]" 1
1403 1 60 LEU QD 1 63 TYR QD . . 5.440 4.077 3.518 4.267 . 0 0 "[ . 1 . 2]" 1
1404 1 60 LEU QD 1 63 TYR QE . . 5.440 5.456 5.022 5.578 0.138 8 0 "[ . 1 . 2]" 1
1405 1 60 LEU QD 1 64 HIS H . . 5.370 3.647 3.208 4.122 . 0 0 "[ . 1 . 2]" 1
1406 1 60 LEU QD 1 64 HIS QB . . 5.280 3.744 3.092 4.110 . 0 0 "[ . 1 . 2]" 1
1407 1 60 LEU QD 1 64 HIS HD2 . . 3.640 2.025 1.903 2.143 . 0 0 "[ . 1 . 2]" 1
1408 1 60 LEU MD1 1 61 GLU H . . 5.500 4.816 4.623 5.045 . 0 0 "[ . 1 . 2]" 1
1409 1 60 LEU MD1 1 64 HIS HD2 . . 4.440 4.432 4.224 4.543 0.103 17 0 "[ . 1 . 2]" 1
1410 1 60 LEU MD2 1 61 GLU H . . 5.500 4.619 4.051 4.925 . 0 0 "[ . 1 . 2]" 1
1411 1 60 LEU MD2 1 64 HIS HD2 . . 4.440 2.028 1.905 2.149 . 0 0 "[ . 1 . 2]" 1
1412 1 60 LEU HG 1 64 HIS H . . 5.500 5.585 5.546 5.595 0.095 10 0 "[ . 1 . 2]" 1
1413 1 60 LEU HG 1 64 HIS HD2 . . 4.510 4.284 3.595 4.521 0.011 17 0 "[ . 1 . 2]" 1
1414 1 61 GLU H 1 61 GLU HB2 . . 3.610 2.438 2.146 3.609 . 0 0 "[ . 1 . 2]" 1
1415 1 61 GLU H 1 61 GLU QB . . 2.800 2.298 2.127 2.469 . 0 0 "[ . 1 . 2]" 1
1416 1 61 GLU H 1 61 GLU HB3 . . 3.610 3.451 2.469 3.625 0.015 14 0 "[ . 1 . 2]" 1
1417 1 61 GLU H 1 61 GLU QG . . 2.890 2.552 2.078 2.821 . 0 0 "[ . 1 . 2]" 1
1418 1 61 GLU H 1 62 LYS H . . 3.010 2.790 2.607 2.894 . 0 0 "[ . 1 . 2]" 1
1419 1 61 GLU H 1 62 LYS QB . . 5.350 5.111 4.794 5.291 . 0 0 "[ . 1 . 2]" 1
1420 1 61 GLU H 1 63 TYR H . . 4.240 3.982 3.892 4.097 . 0 0 "[ . 1 . 2]" 1
1421 1 61 GLU H 1 63 TYR HB2 . . 5.500 4.898 4.672 5.067 . 0 0 "[ . 1 . 2]" 1
1422 1 61 GLU HA 1 61 GLU HG2 . . 3.890 2.691 2.199 3.772 . 0 0 "[ . 1 . 2]" 1
1423 1 61 GLU HA 1 61 GLU QG . . 3.370 2.514 2.159 3.385 0.015 15 0 "[ . 1 . 2]" 1
1424 1 61 GLU HA 1 61 GLU HG3 . . 3.890 3.201 2.430 3.846 . 0 0 "[ . 1 . 2]" 1
1425 1 61 GLU HA 1 64 HIS H . . 4.490 3.899 3.522 4.354 . 0 0 "[ . 1 . 2]" 1
1426 1 61 GLU HA 1 64 HIS QB . . 4.830 3.529 2.735 4.183 . 0 0 "[ . 1 . 2]" 1
1427 1 61 GLU HA 1 65 ALA H . . 5.500 4.564 3.360 5.444 . 0 0 "[ . 1 . 2]" 1
1428 1 61 GLU QB 1 62 LYS H . . 3.190 2.733 2.444 3.299 0.109 15 0 "[ . 1 . 2]" 1
1429 1 61 GLU HB2 1 62 LYS H . . 3.810 2.859 2.547 3.618 . 0 0 "[ . 1 . 2]" 1
1430 1 61 GLU HB3 1 62 LYS H . . 3.810 3.510 3.144 3.863 0.053 20 0 "[ . 1 . 2]" 1
1431 1 61 GLU QG 1 62 LYS H . . 4.460 4.112 1.985 4.481 0.021 14 0 "[ . 1 . 2]" 1
1432 1 61 GLU HG2 1 62 LYS H . . 5.300 4.745 2.586 5.248 . 0 0 "[ . 1 . 2]" 1
1433 1 61 GLU HG3 1 62 LYS H . . 5.300 4.549 2.055 5.128 . 0 0 "[ . 1 . 2]" 1
1434 1 62 LYS H 1 62 LYS QB . . 2.610 2.621 2.429 2.691 0.081 4 0 "[ . 1 . 2]" 1
1435 1 62 LYS H 1 62 LYS HG2 . . 4.280 2.660 2.075 3.900 . 0 0 "[ . 1 . 2]" 1
1436 1 62 LYS H 1 62 LYS QG . . 3.540 2.383 2.045 2.707 . 0 0 "[ . 1 . 2]" 1
1437 1 62 LYS H 1 62 LYS HG3 . . 4.280 3.126 2.593 3.773 . 0 0 "[ . 1 . 2]" 1
1438 1 62 LYS H 1 63 TYR H . . 2.940 2.523 2.338 2.656 . 0 0 "[ . 1 . 2]" 1
1439 1 62 LYS H 1 63 TYR HB3 . . 5.500 5.546 5.276 5.583 0.083 5 0 "[ . 1 . 2]" 1
1440 1 62 LYS HA 1 62 LYS QD . . 4.770 4.260 3.675 4.591 . 0 0 "[ . 1 . 2]" 1
1441 1 62 LYS HA 1 62 LYS QG . . 3.620 3.426 3.357 3.596 . 0 0 "[ . 1 . 2]" 1
1442 1 62 LYS HA 1 64 HIS H . . 5.500 4.762 3.878 5.200 . 0 0 "[ . 1 . 2]" 1
1443 1 62 LYS QB 1 62 LYS QE . . 4.440 2.969 2.084 3.689 . 0 0 "[ . 1 . 2]" 1
1444 1 62 LYS QD 1 63 TYR H . . 5.500 4.286 2.982 4.718 . 0 0 "[ . 1 . 2]" 1
1445 1 62 LYS QD 1 63 TYR QD . . 5.160 3.872 2.324 4.433 . 0 0 "[ . 1 . 2]" 1
1446 1 62 LYS QD 1 63 TYR QE . . 5.330 4.980 3.481 5.433 0.103 11 0 "[ . 1 . 2]" 1
1447 1 62 LYS QE 1 63 TYR HA . . 5.500 4.716 3.824 5.579 0.079 13 0 "[ . 1 . 2]" 1
1448 1 62 LYS QE 1 63 TYR QE . . 4.980 4.419 2.497 5.077 0.097 9 0 "[ . 1 . 2]" 1
1449 1 62 LYS QG 1 63 TYR H . . 3.610 2.546 2.285 2.807 . 0 0 "[ . 1 . 2]" 1
1450 1 62 LYS QG 1 63 TYR QD . . 4.430 2.942 2.521 3.344 . 0 0 "[ . 1 . 2]" 1
1451 1 62 LYS QG 1 63 TYR QE . . 5.020 4.731 4.266 5.110 0.090 9 0 "[ . 1 . 2]" 1
1452 1 62 LYS HG2 1 63 TYR H . . 4.440 3.424 2.957 4.398 . 0 0 "[ . 1 . 2]" 1
1453 1 62 LYS HG3 1 63 TYR H . . 4.440 2.658 2.318 3.078 . 0 0 "[ . 1 . 2]" 1
1454 1 63 TYR H 1 63 TYR HB2 . . 2.830 2.096 2.033 2.147 . 0 0 "[ . 1 . 2]" 1
1455 1 63 TYR H 1 63 TYR HB3 . . 3.430 3.168 3.074 3.304 . 0 0 "[ . 1 . 2]" 1
1456 1 63 TYR H 1 63 TYR QD . . 3.630 3.357 2.933 3.552 . 0 0 "[ . 1 . 2]" 1
1457 1 63 TYR H 1 64 HIS H . . 3.520 2.791 2.536 3.017 . 0 0 "[ . 1 . 2]" 1
1458 1 63 TYR H 1 65 ALA H . . 4.420 3.961 3.698 4.167 . 0 0 "[ . 1 . 2]" 1
1459 1 63 TYR HA 1 63 TYR QD . . 3.550 2.769 2.520 3.028 . 0 0 "[ . 1 . 2]" 1
1460 1 63 TYR HA 1 63 TYR QE . . 4.930 4.298 4.121 4.508 . 0 0 "[ . 1 . 2]" 1
1461 1 63 TYR HB2 1 64 HIS H . . 3.820 3.150 2.809 3.393 . 0 0 "[ . 1 . 2]" 1
1462 1 63 TYR HB2 1 64 HIS HD2 . . 4.580 3.990 3.446 4.645 0.065 13 0 "[ . 1 . 2]" 1
1463 1 63 TYR HB2 1 65 ALA H . . 5.500 5.249 5.007 5.439 . 0 0 "[ . 1 . 2]" 1
1464 1 63 TYR HB3 1 64 HIS H . . 3.460 2.571 2.315 2.998 . 0 0 "[ . 1 . 2]" 1
1465 1 63 TYR HB3 1 64 HIS HD2 . . 4.460 2.940 2.248 3.536 . 0 0 "[ . 1 . 2]" 1
1466 1 63 TYR HB3 1 65 ALA H . . 5.500 4.935 4.720 5.254 . 0 0 "[ . 1 . 2]" 1
1467 1 63 TYR QD 1 64 HIS H . . 4.540 4.388 4.133 4.630 0.090 11 0 "[ . 1 . 2]" 1
1468 1 63 TYR QD 1 64 HIS HA . . 5.280 4.877 4.268 5.320 0.040 8 0 "[ . 1 . 2]" 1
1469 1 63 TYR QD 1 64 HIS HD2 . . 4.870 4.478 3.547 4.962 0.092 7 0 "[ . 1 . 2]" 1
1470 1 64 HIS H 1 64 HIS HB2 . . 3.670 2.325 2.135 2.519 . 0 0 "[ . 1 . 2]" 1
1471 1 64 HIS H 1 64 HIS QB . . 2.890 2.297 2.115 2.480 . 0 0 "[ . 1 . 2]" 1
1472 1 64 HIS H 1 64 HIS HB3 . . 3.670 3.577 3.419 3.706 0.036 8 0 "[ . 1 . 2]" 1
1473 1 64 HIS H 1 64 HIS HD2 . . 4.560 2.684 2.133 3.440 . 0 0 "[ . 1 . 2]" 1
1474 1 64 HIS H 1 65 ALA H . . 3.570 2.893 2.525 3.073 . 0 0 "[ . 1 . 2]" 1
1475 1 64 HIS H 1 65 ALA HA . . 5.500 5.315 4.631 5.552 0.052 10 0 "[ . 1 . 2]" 1
1476 1 64 HIS H 1 65 ALA MB . . 5.500 4.512 4.029 4.854 . 0 0 "[ . 1 . 2]" 1
1477 1 64 HIS HA 1 64 HIS HD2 . . 4.640 3.791 3.086 4.348 . 0 0 "[ . 1 . 2]" 1
1478 1 64 HIS QB 1 64 HIS HD2 . . 3.460 2.733 2.509 3.091 . 0 0 "[ . 1 . 2]" 1
1479 1 64 HIS HB2 1 65 ALA H . . 4.920 3.649 2.870 4.017 . 0 0 "[ . 1 . 2]" 1
1480 1 64 HIS HB3 1 65 ALA H . . 4.920 4.131 3.716 4.503 . 0 0 "[ . 1 . 2]" 1
1481 1 65 ALA H 1 65 ALA MB . . 3.220 2.584 2.236 2.898 . 0 0 "[ . 1 . 2]" 1
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