NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
416546 |
2djs   |
10258 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2djs
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 2208
_Distance_constraint_stats_list.Viol_count 514
_Distance_constraint_stats_list.Viol_total 100.611
_Distance_constraint_stats_list.Viol_max 0.104
_Distance_constraint_stats_list.Viol_rms 0.0020
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0098
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PRO 0.022 0.006 17 0 "[ . 1 . 2]"
1 9 SER 0.005 0.002 19 0 "[ . 1 . 2]"
1 10 THR 0.034 0.008 10 0 "[ . 1 . 2]"
1 11 VAL 0.009 0.005 10 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 0.103 0.010 15 0 "[ . 1 . 2]"
1 14 MET 0.054 0.008 1 0 "[ . 1 . 2]"
1 15 HIS 0.023 0.008 1 0 "[ . 1 . 2]"
1 16 GLN 0.214 0.062 19 0 "[ . 1 . 2]"
1 17 VAL 0.083 0.028 2 0 "[ . 1 . 2]"
1 18 SER 0.051 0.015 13 0 "[ . 1 . 2]"
1 19 ALA 0.135 0.062 19 0 "[ . 1 . 2]"
1 20 THR 0.014 0.005 5 0 "[ . 1 . 2]"
1 21 MET 0.083 0.015 17 0 "[ . 1 . 2]"
1 22 ARG 0.164 0.051 12 0 "[ . 1 . 2]"
1 23 SER 0.070 0.051 12 0 "[ . 1 . 2]"
1 24 ILE 0.070 0.010 19 0 "[ . 1 . 2]"
1 25 THR 0.012 0.005 16 0 "[ . 1 . 2]"
1 26 LEU 0.034 0.008 19 0 "[ . 1 . 2]"
1 27 SER 0.009 0.003 2 0 "[ . 1 . 2]"
1 28 TRP 0.062 0.010 16 0 "[ . 1 . 2]"
1 29 PRO 0.048 0.011 16 0 "[ . 1 . 2]"
1 30 GLN 0.897 0.053 6 0 "[ . 1 . 2]"
1 31 PRO 0.947 0.053 6 0 "[ . 1 . 2]"
1 32 GLU 0.026 0.016 15 0 "[ . 1 . 2]"
1 33 GLN 0.019 0.012 12 0 "[ . 1 . 2]"
1 34 PRO 0.007 0.007 1 0 "[ . 1 . 2]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.004 0.004 13 0 "[ . 1 . 2]"
1 37 ILE 0.125 0.026 16 0 "[ . 1 . 2]"
1 38 ILE 0.083 0.024 18 0 "[ . 1 . 2]"
1 39 LEU 0.003 0.003 5 0 "[ . 1 . 2]"
1 40 ASP 0.152 0.069 19 0 "[ . 1 . 2]"
1 41 TYR 0.129 0.069 19 0 "[ . 1 . 2]"
1 42 GLU 0.065 0.021 1 0 "[ . 1 . 2]"
1 43 ILE 0.057 0.011 20 0 "[ . 1 . 2]"
1 44 ARG 0.047 0.017 9 0 "[ . 1 . 2]"
1 45 TYR 0.044 0.011 20 0 "[ . 1 . 2]"
1 46 TYR 0.042 0.020 20 0 "[ . 1 . 2]"
1 47 GLU 0.038 0.015 14 0 "[ . 1 . 2]"
1 48 LYS 0.165 0.045 14 0 "[ . 1 . 2]"
1 49 GLU 0.004 0.004 20 0 "[ . 1 . 2]"
1 50 HIS 0.005 0.005 20 0 "[ . 1 . 2]"
1 51 ASN 0.001 0.001 20 0 "[ . 1 . 2]"
1 52 GLU 0.181 0.089 6 0 "[ . 1 . 2]"
1 53 PHE 0.053 0.013 5 0 "[ . 1 . 2]"
1 54 ASN 0.507 0.090 20 0 "[ . 1 . 2]"
1 55 SER 0.481 0.090 20 0 "[ . 1 . 2]"
1 56 SER 0.024 0.012 20 0 "[ . 1 . 2]"
1 57 MET 0.058 0.012 20 0 "[ . 1 . 2]"
1 58 ALA 0.082 0.033 1 0 "[ . 1 . 2]"
1 59 ARG 0.067 0.019 1 0 "[ . 1 . 2]"
1 60 SER 0.149 0.048 19 0 "[ . 1 . 2]"
1 61 GLN 0.010 0.006 19 0 "[ . 1 . 2]"
1 62 THR 0.009 0.006 19 0 "[ . 1 . 2]"
1 63 ASN 0.026 0.009 10 0 "[ . 1 . 2]"
1 64 THR 0.022 0.007 14 0 "[ . 1 . 2]"
1 65 ALA 0.015 0.006 19 0 "[ . 1 . 2]"
1 66 ARG 0.119 0.042 4 0 "[ . 1 . 2]"
1 67 ILE 0.107 0.042 4 0 "[ . 1 . 2]"
1 68 ASP 0.008 0.003 17 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.006 0.001 16 0 "[ . 1 . 2]"
1 71 ARG 0.065 0.037 6 0 "[ . 1 . 2]"
1 72 PRO 0.020 0.009 14 0 "[ . 1 . 2]"
1 73 GLY 0.002 0.001 11 0 "[ . 1 . 2]"
1 74 MET 0.122 0.030 14 0 "[ . 1 . 2]"
1 75 VAL 0.030 0.012 14 0 "[ . 1 . 2]"
1 76 TYR 0.031 0.008 1 0 "[ . 1 . 2]"
1 77 VAL 0.040 0.031 14 0 "[ . 1 . 2]"
1 78 VAL 0.015 0.010 14 0 "[ . 1 . 2]"
1 79 GLN 0.002 0.001 17 0 "[ . 1 . 2]"
1 80 VAL 0.018 0.007 10 0 "[ . 1 . 2]"
1 81 ARG 0.166 0.046 10 0 "[ . 1 . 2]"
1 82 ALA 0.110 0.046 10 0 "[ . 1 . 2]"
1 83 ARG 0.021 0.010 17 0 "[ . 1 . 2]"
1 84 THR 0.012 0.006 17 0 "[ . 1 . 2]"
1 85 VAL 0.621 0.081 10 0 "[ . 1 . 2]"
1 86 ALA 0.002 0.002 7 0 "[ . 1 . 2]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TYR 0.021 0.009 10 0 "[ . 1 . 2]"
1 89 GLY 0.012 0.006 17 0 "[ . 1 . 2]"
1 90 LYS 0.023 0.013 10 0 "[ . 1 . 2]"
1 91 PHE 0.067 0.016 10 0 "[ . 1 . 2]"
1 92 SER 0.038 0.010 17 0 "[ . 1 . 2]"
1 93 GLY 0.430 0.104 18 0 "[ . 1 . 2]"
1 94 LYS 0.454 0.104 18 0 "[ . 1 . 2]"
1 95 MET 0.046 0.020 2 0 "[ . 1 . 2]"
1 96 CYS 0.007 0.007 2 0 "[ . 1 . 2]"
1 97 PHE 0.024 0.008 2 0 "[ . 1 . 2]"
1 98 GLN 0.008 0.005 2 0 "[ . 1 . 2]"
1 99 THR 0.022 0.003 5 0 "[ . 1 . 2]"
1 100 LEU 0.058 0.032 4 0 "[ . 1 . 2]"
1 101 THR 0.088 0.054 4 0 "[ . 1 . 2]"
1 102 ASP 0.118 0.054 4 0 "[ . 1 . 2]"
1 103 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY HA2 1 8 PRO HD2 . . 3.540 2.851 2.538 3.148 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY HA2 1 8 PRO HD3 . . 3.430 2.592 2.362 2.859 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY HA2 1 8 PRO HG2 . . 5.500 4.892 4.624 5.152 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY HA2 1 8 PRO HG3 . . 5.500 4.813 4.560 5.084 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY HA2 1 86 ALA MB . . 4.020 3.838 3.590 4.013 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY HA3 1 8 PRO HD2 . . 3.510 2.214 1.996 2.489 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY HA3 1 8 PRO HD3 . . 3.600 3.071 2.774 3.374 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLY HA3 1 8 PRO HG2 . . 4.750 4.306 4.156 4.508 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY HA3 1 8 PRO HG3 . . 5.300 4.802 4.555 5.081 . 0 0 "[ . 1 . 2]" 1
10 1 8 PRO HA 1 9 SER H . . 3.320 2.305 2.153 2.436 . 0 0 "[ . 1 . 2]" 1
11 1 8 PRO HA 1 34 PRO HA . . 3.760 3.388 2.707 3.724 . 0 0 "[ . 1 . 2]" 1
12 1 8 PRO HA 1 35 ASN HB2 . . 4.330 2.327 2.101 2.608 . 0 0 "[ . 1 . 2]" 1
13 1 8 PRO HA 1 35 ASN HB3 . . 5.000 3.980 3.740 4.277 . 0 0 "[ . 1 . 2]" 1
14 1 8 PRO HA 1 35 ASN HD21 . . 4.050 2.831 2.235 3.487 . 0 0 "[ . 1 . 2]" 1
15 1 8 PRO HA 1 35 ASN HD22 . . 4.400 3.838 3.348 4.399 . 0 0 "[ . 1 . 2]" 1
16 1 8 PRO HA 1 82 ALA MB . . 5.310 4.798 4.302 5.085 . 0 0 "[ . 1 . 2]" 1
17 1 8 PRO QB 1 34 PRO HA . . 3.730 2.644 2.338 2.904 . 0 0 "[ . 1 . 2]" 1
18 1 8 PRO QB 1 35 ASN HB2 . . 4.360 3.021 2.534 3.570 . 0 0 "[ . 1 . 2]" 1
19 1 8 PRO QB 1 35 ASN HD21 . . 5.190 4.126 3.666 4.676 . 0 0 "[ . 1 . 2]" 1
20 1 8 PRO QB 1 82 ALA MB . . 3.770 2.463 2.065 2.743 . 0 0 "[ . 1 . 2]" 1
21 1 8 PRO QB 1 84 THR MG . . 4.610 1.948 1.826 2.139 . 0 0 "[ . 1 . 2]" 1
22 1 8 PRO HB2 1 9 SER H . . 4.310 2.893 2.525 3.556 . 0 0 "[ . 1 . 2]" 1
23 1 8 PRO HB2 1 82 ALA MB . . 4.450 2.494 2.082 2.781 . 0 0 "[ . 1 . 2]" 1
24 1 8 PRO HB3 1 9 SER H . . 4.310 3.608 3.409 4.016 . 0 0 "[ . 1 . 2]" 1
25 1 8 PRO HB3 1 82 ALA MB . . 4.450 3.832 3.439 4.179 . 0 0 "[ . 1 . 2]" 1
26 1 8 PRO HD2 1 84 THR MG . . 4.560 4.532 4.374 4.566 0.006 17 0 "[ . 1 . 2]" 1
27 1 8 PRO HD2 1 86 ALA MB . . 4.950 4.747 4.462 4.952 0.002 7 0 "[ . 1 . 2]" 1
28 1 8 PRO HD2 1 89 GLY H . . 4.280 3.709 3.464 3.964 . 0 0 "[ . 1 . 2]" 1
29 1 8 PRO HD2 1 89 GLY HA2 . . 4.580 2.408 2.015 2.678 . 0 0 "[ . 1 . 2]" 1
30 1 8 PRO HD2 1 89 GLY HA3 . . 4.580 3.060 2.809 3.405 . 0 0 "[ . 1 . 2]" 1
31 1 8 PRO HD3 1 84 THR H . . 4.730 4.112 3.764 4.456 . 0 0 "[ . 1 . 2]" 1
32 1 8 PRO HD3 1 84 THR MG . . 3.940 3.675 3.415 3.873 . 0 0 "[ . 1 . 2]" 1
33 1 8 PRO HD3 1 86 ALA MB . . 4.430 3.326 3.060 3.515 . 0 0 "[ . 1 . 2]" 1
34 1 8 PRO HD3 1 89 GLY H . . 5.000 4.879 4.676 5.004 0.004 9 0 "[ . 1 . 2]" 1
35 1 8 PRO HG2 1 82 ALA H . . 4.540 4.120 3.884 4.351 . 0 0 "[ . 1 . 2]" 1
36 1 8 PRO HG2 1 82 ALA MB . . 3.780 2.875 2.459 3.128 . 0 0 "[ . 1 . 2]" 1
37 1 8 PRO HG2 1 89 GLY H . . 3.960 3.189 2.914 3.452 . 0 0 "[ . 1 . 2]" 1
38 1 8 PRO HG2 1 89 GLY HA2 . . 4.200 3.089 2.793 3.523 . 0 0 "[ . 1 . 2]" 1
39 1 8 PRO HG2 1 89 GLY QA . . 3.660 2.206 1.961 2.574 . 0 0 "[ . 1 . 2]" 1
40 1 8 PRO HG2 1 89 GLY HA3 . . 4.200 2.262 1.999 2.646 . 0 0 "[ . 1 . 2]" 1
41 1 8 PRO HG3 1 82 ALA MB . . 3.690 3.520 3.241 3.688 . 0 0 "[ . 1 . 2]" 1
42 1 8 PRO HG3 1 84 THR H . . 4.660 2.881 2.514 3.147 . 0 0 "[ . 1 . 2]" 1
43 1 8 PRO HG3 1 84 THR MG . . 3.760 2.208 2.050 2.371 . 0 0 "[ . 1 . 2]" 1
44 1 8 PRO HG3 1 89 GLY H . . 4.480 3.856 3.524 4.160 . 0 0 "[ . 1 . 2]" 1
45 1 8 PRO HG3 1 89 GLY HA2 . . 4.660 4.341 3.955 4.666 0.006 17 0 "[ . 1 . 2]" 1
46 1 8 PRO HG3 1 89 GLY QA . . 4.000 3.597 3.335 3.884 . 0 0 "[ . 1 . 2]" 1
47 1 8 PRO HG3 1 89 GLY HA3 . . 4.660 3.841 3.546 4.156 . 0 0 "[ . 1 . 2]" 1
48 1 9 SER H 1 10 THR H . . 4.890 4.599 4.548 4.649 . 0 0 "[ . 1 . 2]" 1
49 1 9 SER H 1 34 PRO HA . . 3.680 2.242 1.923 2.773 . 0 0 "[ . 1 . 2]" 1
50 1 9 SER H 1 35 ASN HB2 . . 4.660 3.947 3.706 4.232 . 0 0 "[ . 1 . 2]" 1
51 1 9 SER H 1 35 ASN HD21 . . 4.590 2.836 2.386 3.475 . 0 0 "[ . 1 . 2]" 1
52 1 9 SER HA 1 10 THR H . . 2.930 2.504 2.248 2.653 . 0 0 "[ . 1 . 2]" 1
53 1 9 SER HA 1 10 THR HB . . 4.500 4.186 4.047 4.274 . 0 0 "[ . 1 . 2]" 1
54 1 9 SER HA 1 10 THR MG . . 4.720 4.015 3.792 4.245 . 0 0 "[ . 1 . 2]" 1
55 1 9 SER HA 1 31 PRO HB3 . . 5.500 5.298 4.980 5.502 0.002 19 0 "[ . 1 . 2]" 1
56 1 9 SER HA 1 33 GLN H . . 5.500 5.435 5.281 5.500 0.000 6 0 "[ . 1 . 2]" 1
57 1 9 SER HA 1 33 GLN HB2 . . 4.570 4.391 4.223 4.571 0.001 10 0 "[ . 1 . 2]" 1
58 1 9 SER QB 1 31 PRO HB2 . . 3.920 2.415 2.016 3.174 . 0 0 "[ . 1 . 2]" 1
59 1 9 SER QB 1 31 PRO HB3 . . 4.560 3.073 2.732 3.494 . 0 0 "[ . 1 . 2]" 1
60 1 9 SER QB 1 31 PRO HG3 . . 4.900 3.883 3.415 4.610 . 0 0 "[ . 1 . 2]" 1
61 1 9 SER QB 1 33 GLN H . . 3.550 2.741 2.536 3.013 . 0 0 "[ . 1 . 2]" 1
62 1 9 SER QB 1 33 GLN HB2 . . 3.580 2.136 2.008 2.315 . 0 0 "[ . 1 . 2]" 1
63 1 9 SER QB 1 33 GLN HB3 . . 3.440 2.696 2.408 2.968 . 0 0 "[ . 1 . 2]" 1
64 1 9 SER QB 1 33 GLN QG . . 4.590 3.921 3.765 4.134 . 0 0 "[ . 1 . 2]" 1
65 1 9 SER QB 1 34 PRO QD . . 4.700 3.660 3.287 4.208 . 0 0 "[ . 1 . 2]" 1
66 1 9 SER HB2 1 10 THR H . . 4.000 3.324 1.963 3.977 . 0 0 "[ . 1 . 2]" 1
67 1 9 SER HB2 1 33 GLN H . . 4.430 3.222 2.966 3.525 . 0 0 "[ . 1 . 2]" 1
68 1 9 SER HB2 1 33 GLN HB2 . . 4.340 2.393 2.023 3.353 . 0 0 "[ . 1 . 2]" 1
69 1 9 SER HB3 1 10 THR H . . 4.000 3.479 3.079 3.945 . 0 0 "[ . 1 . 2]" 1
70 1 9 SER HB3 1 33 GLN H . . 4.430 2.985 2.670 3.272 . 0 0 "[ . 1 . 2]" 1
71 1 9 SER HB3 1 33 GLN HB2 . . 4.340 3.103 2.112 3.644 . 0 0 "[ . 1 . 2]" 1
72 1 10 THR H 1 10 THR HB . . 3.460 3.149 2.817 3.345 . 0 0 "[ . 1 . 2]" 1
73 1 10 THR H 1 10 THR MG . . 3.940 2.392 2.228 2.645 . 0 0 "[ . 1 . 2]" 1
74 1 10 THR H 1 11 VAL H . . 4.750 4.365 4.210 4.508 . 0 0 "[ . 1 . 2]" 1
75 1 10 THR H 1 31 PRO HG3 . . 5.220 5.192 5.028 5.228 0.008 10 0 "[ . 1 . 2]" 1
76 1 10 THR HA 1 10 THR MG . . 3.330 3.186 3.165 3.205 . 0 0 "[ . 1 . 2]" 1
77 1 10 THR HA 1 11 VAL H . . 3.390 2.289 2.157 2.589 . 0 0 "[ . 1 . 2]" 1
78 1 10 THR HA 1 31 PRO HG3 . . 4.320 4.019 3.317 4.320 . 0 0 "[ . 1 . 2]" 1
79 1 10 THR HA 1 82 ALA MB . . 4.630 2.819 2.476 3.190 . 0 0 "[ . 1 . 2]" 1
80 1 10 THR HB 1 11 VAL H . . 4.330 4.044 3.612 4.296 . 0 0 "[ . 1 . 2]" 1
81 1 10 THR HB 1 90 LYS QB . . 4.760 3.445 2.469 4.699 . 0 0 "[ . 1 . 2]" 1
82 1 10 THR MG 1 11 VAL H . . 3.810 3.440 2.900 3.796 . 0 0 "[ . 1 . 2]" 1
83 1 10 THR MG 1 12 PRO HA . . 4.650 3.980 3.819 4.202 . 0 0 "[ . 1 . 2]" 1
84 1 10 THR MG 1 90 LYS H . . 4.580 4.366 4.027 4.578 . 0 0 "[ . 1 . 2]" 1
85 1 10 THR MG 1 90 LYS QB . . 4.040 3.172 2.250 4.046 0.006 17 0 "[ . 1 . 2]" 1
86 1 10 THR MG 1 90 LYS QD . . 4.670 3.659 1.848 4.672 0.002 14 0 "[ . 1 . 2]" 1
87 1 10 THR MG 1 90 LYS QE . . 4.710 3.114 1.759 4.680 . 0 0 "[ . 1 . 2]" 1
88 1 10 THR MG 1 91 PHE H . . 5.340 4.909 4.230 5.342 0.002 17 0 "[ . 1 . 2]" 1
89 1 10 THR MG 1 92 SER H . . 5.430 4.639 3.446 4.925 . 0 0 "[ . 1 . 2]" 1
90 1 10 THR MG 1 92 SER HA . . 3.220 2.950 2.303 3.189 . 0 0 "[ . 1 . 2]" 1
91 1 10 THR MG 1 93 GLY H . . 4.610 4.465 4.157 4.611 0.001 19 0 "[ . 1 . 2]" 1
92 1 11 VAL H 1 11 VAL HB . . 3.740 2.513 2.328 2.684 . 0 0 "[ . 1 . 2]" 1
93 1 11 VAL H 1 11 VAL QG . . 3.600 2.238 1.982 2.568 . 0 0 "[ . 1 . 2]" 1
94 1 11 VAL HA 1 11 VAL MG1 . . 3.480 2.473 2.400 2.554 . 0 0 "[ . 1 . 2]" 1
95 1 11 VAL HA 1 11 VAL QG . . 2.990 2.134 2.080 2.172 . 0 0 "[ . 1 . 2]" 1
96 1 11 VAL HA 1 11 VAL MG2 . . 3.480 2.337 2.216 2.423 . 0 0 "[ . 1 . 2]" 1
97 1 11 VAL HA 1 12 PRO QD . . 3.150 1.944 1.925 1.968 . 0 0 "[ . 1 . 2]" 1
98 1 11 VAL HA 1 12 PRO QG . . 4.440 3.844 3.825 3.868 . 0 0 "[ . 1 . 2]" 1
99 1 11 VAL HA 1 13 ILE H . . 4.640 4.167 4.011 4.361 . 0 0 "[ . 1 . 2]" 1
100 1 11 VAL HA 1 29 PRO QG . . 5.090 3.763 3.563 4.005 . 0 0 "[ . 1 . 2]" 1
101 1 11 VAL HB 1 28 TRP HD1 . . 4.870 4.287 4.058 4.559 . 0 0 "[ . 1 . 2]" 1
102 1 11 VAL HB 1 80 VAL MG1 . . 4.870 2.733 2.419 3.241 . 0 0 "[ . 1 . 2]" 1
103 1 11 VAL HB 1 80 VAL QG . . 3.420 2.709 2.400 3.195 . 0 0 "[ . 1 . 2]" 1
104 1 11 VAL HB 1 80 VAL MG2 . . 4.870 4.495 3.980 4.860 . 0 0 "[ . 1 . 2]" 1
105 1 11 VAL HB 1 92 SER H . . 5.100 4.780 4.534 5.008 . 0 0 "[ . 1 . 2]" 1
106 1 11 VAL HB 1 92 SER HA . . 4.530 4.361 3.755 4.535 0.005 10 0 "[ . 1 . 2]" 1
107 1 11 VAL HB 1 92 SER HB2 . . 4.110 2.955 2.404 3.396 . 0 0 "[ . 1 . 2]" 1
108 1 11 VAL HB 1 92 SER HB3 . . 3.650 2.355 2.098 2.563 . 0 0 "[ . 1 . 2]" 1
109 1 11 VAL QG 1 12 PRO HA . . 4.980 3.904 3.850 4.023 . 0 0 "[ . 1 . 2]" 1
110 1 11 VAL QG 1 12 PRO HB2 . . 4.990 4.295 4.194 4.381 . 0 0 "[ . 1 . 2]" 1
111 1 11 VAL QG 1 12 PRO QD . . 3.160 1.890 1.801 1.974 . 0 0 "[ . 1 . 2]" 1
112 1 11 VAL QG 1 12 PRO QG . . 4.500 2.961 2.831 3.071 . 0 0 "[ . 1 . 2]" 1
113 1 11 VAL QG 1 13 ILE H . . 3.240 1.972 1.874 2.099 . 0 0 "[ . 1 . 2]" 1
114 1 11 VAL QG 1 13 ILE MG . . 4.380 3.350 3.233 3.474 . 0 0 "[ . 1 . 2]" 1
115 1 11 VAL QG 1 14 MET QG . . 4.360 2.871 2.490 3.215 . 0 0 "[ . 1 . 2]" 1
116 1 11 VAL QG 1 28 TRP HA . . 4.220 3.253 3.110 3.383 . 0 0 "[ . 1 . 2]" 1
117 1 11 VAL QG 1 28 TRP HB2 . . 3.340 1.853 1.768 1.950 . 0 0 "[ . 1 . 2]" 1
118 1 11 VAL QG 1 28 TRP HB3 . . 3.810 2.755 2.556 2.936 . 0 0 "[ . 1 . 2]" 1
119 1 11 VAL QG 1 28 TRP HD1 . . 3.160 1.941 1.790 2.076 . 0 0 "[ . 1 . 2]" 1
120 1 11 VAL QG 1 28 TRP HE1 . . 3.950 3.640 3.479 3.814 . 0 0 "[ . 1 . 2]" 1
121 1 11 VAL QG 1 29 PRO HD2 . . 3.040 1.922 1.818 1.998 . 0 0 "[ . 1 . 2]" 1
122 1 11 VAL QG 1 29 PRO HD3 . . 4.170 3.281 3.182 3.407 . 0 0 "[ . 1 . 2]" 1
123 1 11 VAL QG 1 29 PRO QG . . 3.650 2.094 1.932 2.528 . 0 0 "[ . 1 . 2]" 1
124 1 11 VAL QG 1 30 GLN HA . . 4.420 3.661 3.458 3.807 . 0 0 "[ . 1 . 2]" 1
125 1 11 VAL QG 1 31 PRO HA . . 5.280 4.381 4.127 4.709 . 0 0 "[ . 1 . 2]" 1
126 1 11 VAL QG 1 31 PRO HB3 . . 4.180 3.713 3.475 3.971 . 0 0 "[ . 1 . 2]" 1
127 1 11 VAL QG 1 31 PRO QD . . 3.600 2.715 2.578 2.819 . 0 0 "[ . 1 . 2]" 1
128 1 11 VAL QG 1 31 PRO HG3 . . 3.870 3.787 3.616 3.873 0.003 20 0 "[ . 1 . 2]" 1
129 1 11 VAL QG 1 41 TYR QE . . 4.130 3.922 3.609 4.101 . 0 0 "[ . 1 . 2]" 1
130 1 11 VAL QG 1 63 ASN HD21 . . 4.590 3.386 3.199 3.583 . 0 0 "[ . 1 . 2]" 1
131 1 11 VAL QG 1 80 VAL QG . . 2.940 2.328 1.953 2.640 . 0 0 "[ . 1 . 2]" 1
132 1 11 VAL QG 1 92 SER HB2 . . 4.280 3.133 2.602 3.429 . 0 0 "[ . 1 . 2]" 1
133 1 11 VAL QG 1 92 SER HB3 . . 3.860 3.237 2.847 3.429 . 0 0 "[ . 1 . 2]" 1
134 1 11 VAL MG1 1 28 TRP HB2 . . 3.910 2.002 1.945 2.123 . 0 0 "[ . 1 . 2]" 1
135 1 11 VAL MG1 1 28 TRP HB3 . . 4.630 2.885 2.649 3.081 . 0 0 "[ . 1 . 2]" 1
136 1 11 VAL MG1 1 92 SER HB3 . . 4.400 3.587 2.921 3.958 . 0 0 "[ . 1 . 2]" 1
137 1 11 VAL MG2 1 28 TRP HB2 . . 3.910 2.199 1.987 2.409 . 0 0 "[ . 1 . 2]" 1
138 1 11 VAL MG2 1 28 TRP HB3 . . 4.630 3.495 3.227 3.699 . 0 0 "[ . 1 . 2]" 1
139 1 11 VAL MG2 1 92 SER HB3 . . 4.400 3.750 3.425 4.042 . 0 0 "[ . 1 . 2]" 1
140 1 12 PRO HB2 1 13 ILE MD . . 5.160 5.067 4.975 5.118 . 0 0 "[ . 1 . 2]" 1
141 1 12 PRO HB2 1 13 ILE MG . . 4.190 3.342 3.175 3.511 . 0 0 "[ . 1 . 2]" 1
142 1 12 PRO HB3 1 13 ILE H . . 4.420 3.975 3.876 4.059 . 0 0 "[ . 1 . 2]" 1
143 1 12 PRO HB3 1 13 ILE MG . . 5.030 4.732 4.595 4.847 . 0 0 "[ . 1 . 2]" 1
144 1 12 PRO QD 1 13 ILE H . . 3.810 2.649 2.612 2.711 . 0 0 "[ . 1 . 2]" 1
145 1 12 PRO QD 1 13 ILE MG . . 4.460 4.039 3.912 4.165 . 0 0 "[ . 1 . 2]" 1
146 1 12 PRO QD 1 29 PRO QG . . 3.460 2.418 2.120 2.760 . 0 0 "[ . 1 . 2]" 1
147 1 12 PRO HD2 1 13 ILE H . . 4.680 2.699 2.658 2.767 . 0 0 "[ . 1 . 2]" 1
148 1 12 PRO HD3 1 13 ILE H . . 4.680 3.852 3.838 3.880 . 0 0 "[ . 1 . 2]" 1
149 1 12 PRO QG 1 13 ILE H . . 3.430 2.045 1.893 2.189 . 0 0 "[ . 1 . 2]" 1
150 1 12 PRO QG 1 13 ILE MG . . 3.560 2.730 2.622 2.900 . 0 0 "[ . 1 . 2]" 1
151 1 12 PRO HG2 1 13 ILE MG . . 4.390 2.770 2.655 2.948 . 0 0 "[ . 1 . 2]" 1
152 1 12 PRO HG3 1 13 ILE MG . . 4.390 4.139 4.025 4.310 . 0 0 "[ . 1 . 2]" 1
153 1 13 ILE H 1 13 ILE HB . . 3.940 3.271 3.199 3.378 . 0 0 "[ . 1 . 2]" 1
154 1 13 ILE H 1 13 ILE MD . . 5.220 4.849 4.785 4.932 . 0 0 "[ . 1 . 2]" 1
155 1 13 ILE H 1 13 ILE QG . . 4.770 4.146 4.119 4.189 . 0 0 "[ . 1 . 2]" 1
156 1 13 ILE H 1 13 ILE MG . . 3.520 2.467 2.358 2.525 . 0 0 "[ . 1 . 2]" 1
157 1 13 ILE H 1 14 MET H . . 4.710 4.403 4.354 4.433 . 0 0 "[ . 1 . 2]" 1
158 1 13 ILE H 1 29 PRO HD2 . . 4.490 4.013 3.715 4.230 . 0 0 "[ . 1 . 2]" 1
159 1 13 ILE H 1 29 PRO HD3 . . 5.500 4.988 4.695 5.250 . 0 0 "[ . 1 . 2]" 1
160 1 13 ILE H 1 29 PRO QG . . 4.430 3.614 3.394 3.837 . 0 0 "[ . 1 . 2]" 1
161 1 13 ILE HA 1 13 ILE MD . . 3.520 3.521 3.510 3.530 0.010 15 0 "[ . 1 . 2]" 1
162 1 13 ILE HA 1 13 ILE HG12 . . 3.850 3.310 3.243 3.377 . 0 0 "[ . 1 . 2]" 1
163 1 13 ILE HA 1 13 ILE QG . . 3.150 2.225 2.175 2.270 . 0 0 "[ . 1 . 2]" 1
164 1 13 ILE HA 1 13 ILE HG13 . . 3.850 2.261 2.210 2.308 . 0 0 "[ . 1 . 2]" 1
165 1 13 ILE HA 1 13 ILE MG . . 3.700 3.187 3.177 3.195 . 0 0 "[ . 1 . 2]" 1
166 1 13 ILE HA 1 14 MET H . . 3.200 2.375 2.295 2.461 . 0 0 "[ . 1 . 2]" 1
167 1 13 ILE HA 1 14 MET QG . . 4.490 3.925 3.252 4.201 . 0 0 "[ . 1 . 2]" 1
168 1 13 ILE HA 1 95 MET ME . . 4.410 3.628 3.001 4.181 . 0 0 "[ . 1 . 2]" 1
169 1 13 ILE HB 1 13 ILE MD . . 3.060 2.198 2.103 2.297 . 0 0 "[ . 1 . 2]" 1
170 1 13 ILE HB 1 14 MET H . . 4.240 3.854 3.789 3.923 . 0 0 "[ . 1 . 2]" 1
171 1 13 ILE MD 1 13 ILE MG . . 2.970 2.358 2.216 2.471 . 0 0 "[ . 1 . 2]" 1
172 1 13 ILE MD 1 14 MET H . . 3.740 3.538 3.442 3.656 . 0 0 "[ . 1 . 2]" 1
173 1 13 ILE MD 1 14 MET HA . . 5.500 5.490 5.452 5.507 0.007 14 0 "[ . 1 . 2]" 1
174 1 13 ILE MD 1 15 HIS HA . . 5.500 5.354 5.214 5.503 0.003 2 0 "[ . 1 . 2]" 1
175 1 13 ILE MD 1 15 HIS HE1 . . 4.000 3.670 2.986 4.001 0.001 13 0 "[ . 1 . 2]" 1
176 1 13 ILE MD 1 95 MET ME . . 3.340 2.644 2.245 3.237 . 0 0 "[ . 1 . 2]" 1
177 1 13 ILE QG 1 13 ILE MG . . 3.010 2.125 2.027 2.197 . 0 0 "[ . 1 . 2]" 1
178 1 13 ILE QG 1 95 MET ME . . 3.490 2.172 1.856 2.459 . 0 0 "[ . 1 . 2]" 1
179 1 13 ILE HG12 1 13 ILE MG . . 3.580 2.161 2.053 2.242 . 0 0 "[ . 1 . 2]" 1
180 1 13 ILE HG12 1 14 MET H . . 3.650 2.334 2.011 2.688 . 0 0 "[ . 1 . 2]" 1
181 1 13 ILE HG12 1 95 MET ME . . 4.060 2.796 2.212 3.171 . 0 0 "[ . 1 . 2]" 1
182 1 13 ILE HG13 1 13 ILE MG . . 3.580 3.145 3.132 3.157 . 0 0 "[ . 1 . 2]" 1
183 1 13 ILE HG13 1 14 MET H . . 3.650 1.918 1.895 1.972 . 0 0 "[ . 1 . 2]" 1
184 1 13 ILE HG13 1 95 MET ME . . 4.060 2.279 1.899 2.650 . 0 0 "[ . 1 . 2]" 1
185 1 13 ILE MG 1 14 MET H . . 4.200 3.397 3.155 3.626 . 0 0 "[ . 1 . 2]" 1
186 1 13 ILE MG 1 14 MET HA . . 4.530 3.798 3.643 3.963 . 0 0 "[ . 1 . 2]" 1
187 1 13 ILE MG 1 15 HIS HD2 . . 4.560 3.354 2.734 4.398 . 0 0 "[ . 1 . 2]" 1
188 1 13 ILE MG 1 15 HIS HE1 . . 3.940 3.088 2.252 3.650 . 0 0 "[ . 1 . 2]" 1
189 1 13 ILE MG 1 28 TRP HA . . 5.110 4.961 4.850 5.110 . 0 0 "[ . 1 . 2]" 1
190 1 13 ILE MG 1 29 PRO HD2 . . 4.030 3.889 3.765 3.969 . 0 0 "[ . 1 . 2]" 1
191 1 13 ILE MG 1 29 PRO HD3 . . 3.940 3.864 3.725 3.945 0.005 10 0 "[ . 1 . 2]" 1
192 1 13 ILE MG 1 29 PRO QG . . 3.360 3.336 3.178 3.366 0.006 7 0 "[ . 1 . 2]" 1
193 1 13 ILE MG 1 95 MET ME . . 4.460 4.156 3.826 4.347 . 0 0 "[ . 1 . 2]" 1
194 1 14 MET H 1 14 MET HB2 . . 4.110 2.422 2.331 2.705 . 0 0 "[ . 1 . 2]" 1
195 1 14 MET H 1 14 MET QG . . 3.950 3.138 2.693 3.353 . 0 0 "[ . 1 . 2]" 1
196 1 14 MET H 1 95 MET ME . . 3.800 2.246 1.868 2.774 . 0 0 "[ . 1 . 2]" 1
197 1 14 MET HA 1 14 MET ME . . 4.520 4.002 3.438 4.407 . 0 0 "[ . 1 . 2]" 1
198 1 14 MET HA 1 14 MET HG2 . . 4.120 2.426 2.272 2.680 . 0 0 "[ . 1 . 2]" 1
199 1 14 MET HA 1 14 MET HG3 . . 4.120 3.203 2.584 3.625 . 0 0 "[ . 1 . 2]" 1
200 1 14 MET HA 1 15 HIS H . . 3.040 2.290 2.200 2.641 . 0 0 "[ . 1 . 2]" 1
201 1 14 MET HA 1 28 TRP HB2 . . 4.290 3.792 3.640 4.007 . 0 0 "[ . 1 . 2]" 1
202 1 14 MET HA 1 28 TRP HB3 . . 4.110 2.988 2.763 3.280 . 0 0 "[ . 1 . 2]" 1
203 1 14 MET HA 1 29 PRO HD2 . . 4.680 3.576 3.161 3.837 . 0 0 "[ . 1 . 2]" 1
204 1 14 MET HA 1 29 PRO HD3 . . 4.520 4.068 3.406 4.386 . 0 0 "[ . 1 . 2]" 1
205 1 14 MET HA 1 80 VAL QG . . 5.260 4.398 3.998 4.736 . 0 0 "[ . 1 . 2]" 1
206 1 14 MET HA 1 95 MET ME . . 4.900 4.166 3.697 4.629 . 0 0 "[ . 1 . 2]" 1
207 1 14 MET HA 1 97 PHE HZ . . 5.500 5.113 4.850 5.501 0.001 2 0 "[ . 1 . 2]" 1
208 1 14 MET HB2 1 14 MET ME . . 4.050 3.574 3.174 3.823 . 0 0 "[ . 1 . 2]" 1
209 1 14 MET HB2 1 15 HIS H . . 4.450 4.005 3.048 4.204 . 0 0 "[ . 1 . 2]" 1
210 1 14 MET HB2 1 26 LEU MD2 . . 5.400 5.282 4.771 5.403 0.003 10 0 "[ . 1 . 2]" 1
211 1 14 MET HB2 1 97 PHE QE . . 4.300 3.924 3.324 4.191 . 0 0 "[ . 1 . 2]" 1
212 1 14 MET HB2 1 97 PHE HZ . . 3.550 2.931 2.593 3.348 . 0 0 "[ . 1 . 2]" 1
213 1 14 MET HB3 1 14 MET ME . . 3.950 2.678 1.999 3.263 . 0 0 "[ . 1 . 2]" 1
214 1 14 MET HB3 1 15 HIS H . . 3.620 2.797 2.044 3.057 . 0 0 "[ . 1 . 2]" 1
215 1 14 MET HB3 1 15 HIS HB2 . . 5.500 5.395 5.076 5.508 0.008 1 0 "[ . 1 . 2]" 1
216 1 14 MET HB3 1 26 LEU MD1 . . 5.500 4.567 4.029 4.954 . 0 0 "[ . 1 . 2]" 1
217 1 14 MET HB3 1 26 LEU MD2 . . 4.560 4.314 4.023 4.564 0.004 2 0 "[ . 1 . 2]" 1
218 1 14 MET HB3 1 97 PHE HZ . . 3.970 2.771 2.347 3.721 . 0 0 "[ . 1 . 2]" 1
219 1 14 MET ME 1 15 HIS H . . 4.860 4.208 3.540 4.792 . 0 0 "[ . 1 . 2]" 1
220 1 14 MET ME 1 26 LEU MD1 . . 3.170 2.193 1.948 2.433 . 0 0 "[ . 1 . 2]" 1
221 1 14 MET ME 1 26 LEU MD2 . . 4.060 3.529 3.278 4.026 . 0 0 "[ . 1 . 2]" 1
222 1 14 MET ME 1 28 TRP HB2 . . 5.460 4.598 3.916 5.126 . 0 0 "[ . 1 . 2]" 1
223 1 14 MET ME 1 28 TRP HB3 . . 4.330 3.260 2.492 3.901 . 0 0 "[ . 1 . 2]" 1
224 1 14 MET ME 1 28 TRP HE3 . . 3.450 2.555 1.948 3.033 . 0 0 "[ . 1 . 2]" 1
225 1 14 MET ME 1 28 TRP HH2 . . 4.850 4.559 4.343 4.827 . 0 0 "[ . 1 . 2]" 1
226 1 14 MET ME 1 28 TRP HZ3 . . 4.220 3.176 2.941 3.512 . 0 0 "[ . 1 . 2]" 1
227 1 14 MET ME 1 43 ILE HG12 . . 4.290 3.868 3.526 4.182 . 0 0 "[ . 1 . 2]" 1
228 1 14 MET ME 1 43 ILE MG . . 4.060 3.584 3.156 3.975 . 0 0 "[ . 1 . 2]" 1
229 1 14 MET ME 1 78 VAL QG . . 2.980 2.691 2.121 2.979 . 0 0 "[ . 1 . 2]" 1
230 1 14 MET ME 1 79 GLN HA . . 4.430 3.386 2.773 4.279 . 0 0 "[ . 1 . 2]" 1
231 1 14 MET ME 1 80 VAL H . . 4.830 3.601 2.776 4.271 . 0 0 "[ . 1 . 2]" 1
232 1 14 MET ME 1 80 VAL HA . . 4.690 4.184 3.600 4.580 . 0 0 "[ . 1 . 2]" 1
233 1 14 MET ME 1 80 VAL HB . . 3.120 2.282 1.978 2.565 . 0 0 "[ . 1 . 2]" 1
234 1 14 MET ME 1 80 VAL MG1 . . 3.810 2.381 1.970 2.898 . 0 0 "[ . 1 . 2]" 1
235 1 14 MET ME 1 80 VAL QG . . 3.040 2.330 1.961 2.760 . 0 0 "[ . 1 . 2]" 1
236 1 14 MET ME 1 80 VAL MG2 . . 3.810 3.455 3.087 3.817 0.007 10 0 "[ . 1 . 2]" 1
237 1 14 MET ME 1 97 PHE QE . . 4.220 3.198 2.880 3.821 . 0 0 "[ . 1 . 2]" 1
238 1 14 MET ME 1 97 PHE HZ . . 4.750 3.814 3.225 4.410 . 0 0 "[ . 1 . 2]" 1
239 1 14 MET QG 1 15 HIS H . . 4.980 3.820 3.436 4.076 . 0 0 "[ . 1 . 2]" 1
240 1 14 MET QG 1 28 TRP HB2 . . 4.670 3.582 3.072 4.063 . 0 0 "[ . 1 . 2]" 1
241 1 14 MET QG 1 28 TRP HE3 . . 4.950 3.902 2.735 4.466 . 0 0 "[ . 1 . 2]" 1
242 1 14 MET QG 1 80 VAL QG . . 3.350 2.480 2.116 2.655 . 0 0 "[ . 1 . 2]" 1
243 1 14 MET HG2 1 28 TRP HB3 . . 4.480 2.612 2.009 3.345 . 0 0 "[ . 1 . 2]" 1
244 1 14 MET HG3 1 28 TRP HB3 . . 4.480 4.032 2.797 4.475 . 0 0 "[ . 1 . 2]" 1
245 1 15 HIS H 1 15 HIS HB2 . . 3.550 2.678 2.535 3.052 . 0 0 "[ . 1 . 2]" 1
246 1 15 HIS H 1 15 HIS HB3 . . 4.020 3.798 3.718 3.987 . 0 0 "[ . 1 . 2]" 1
247 1 15 HIS H 1 15 HIS HD2 . . 4.280 3.704 3.150 4.253 . 0 0 "[ . 1 . 2]" 1
248 1 15 HIS H 1 26 LEU HB3 . . 5.370 4.509 3.991 4.880 . 0 0 "[ . 1 . 2]" 1
249 1 15 HIS H 1 27 SER H . . 3.790 3.277 2.850 3.515 . 0 0 "[ . 1 . 2]" 1
250 1 15 HIS H 1 28 TRP HA . . 4.150 3.231 2.870 3.658 . 0 0 "[ . 1 . 2]" 1
251 1 15 HIS H 1 28 TRP HB2 . . 5.460 4.948 4.665 5.392 . 0 0 "[ . 1 . 2]" 1
252 1 15 HIS H 1 28 TRP HB3 . . 4.240 3.776 3.514 4.110 . 0 0 "[ . 1 . 2]" 1
253 1 15 HIS HA 1 16 GLN H . . 3.010 2.188 2.143 2.288 . 0 0 "[ . 1 . 2]" 1
254 1 15 HIS HA 1 16 GLN QB . . 4.650 4.021 3.984 4.065 . 0 0 "[ . 1 . 2]" 1
255 1 15 HIS HA 1 26 LEU MD2 . . 5.500 5.372 5.115 5.491 . 0 0 "[ . 1 . 2]" 1
256 1 15 HIS HA 1 95 MET ME . . 5.340 4.154 3.609 4.976 . 0 0 "[ . 1 . 2]" 1
257 1 15 HIS HA 1 97 PHE QE . . 4.680 4.324 3.905 4.658 . 0 0 "[ . 1 . 2]" 1
258 1 15 HIS HA 1 97 PHE HZ . . 5.500 4.733 3.702 5.404 . 0 0 "[ . 1 . 2]" 1
259 1 15 HIS HB2 1 16 GLN H . . 4.350 4.134 3.909 4.310 . 0 0 "[ . 1 . 2]" 1
260 1 15 HIS HB2 1 17 VAL QG . . 5.440 4.297 3.661 4.511 . 0 0 "[ . 1 . 2]" 1
261 1 15 HIS HB2 1 27 SER H . . 4.550 4.269 3.986 4.553 0.003 19 0 "[ . 1 . 2]" 1
262 1 15 HIS HB3 1 16 GLN H . . 3.890 3.135 2.741 3.390 . 0 0 "[ . 1 . 2]" 1
263 1 15 HIS HB3 1 16 GLN QB . . 5.140 4.973 4.708 5.141 0.001 17 0 "[ . 1 . 2]" 1
264 1 15 HIS HB3 1 17 VAL QG . . 5.440 4.251 3.973 4.461 . 0 0 "[ . 1 . 2]" 1
265 1 15 HIS HD2 1 28 TRP HA . . 4.650 3.626 2.533 4.112 . 0 0 "[ . 1 . 2]" 1
266 1 15 HIS HD2 1 29 PRO HD2 . . 4.810 3.889 3.087 4.382 . 0 0 "[ . 1 . 2]" 1
267 1 15 HIS HD2 1 29 PRO HD3 . . 4.530 2.570 2.137 2.954 . 0 0 "[ . 1 . 2]" 1
268 1 16 GLN H 1 16 GLN QB . . 3.110 2.244 2.165 2.371 . 0 0 "[ . 1 . 2]" 1
269 1 16 GLN H 1 16 GLN QG . . 4.240 3.810 3.725 4.044 . 0 0 "[ . 1 . 2]" 1
270 1 16 GLN H 1 97 PHE QE . . 4.110 3.707 3.156 4.030 . 0 0 "[ . 1 . 2]" 1
271 1 16 GLN HA 1 16 GLN QG . . 3.580 2.677 2.328 2.859 . 0 0 "[ . 1 . 2]" 1
272 1 16 GLN HA 1 17 VAL H . . 3.230 2.190 2.140 2.248 . 0 0 "[ . 1 . 2]" 1
273 1 16 GLN HA 1 17 VAL HB . . 4.950 4.686 4.599 4.933 . 0 0 "[ . 1 . 2]" 1
274 1 16 GLN HA 1 17 VAL QG . . 4.060 3.408 3.255 3.567 . 0 0 "[ . 1 . 2]" 1
275 1 16 GLN HA 1 18 SER H . . 4.110 4.091 4.006 4.114 0.004 2 0 "[ . 1 . 2]" 1
276 1 16 GLN HA 1 26 LEU HA . . 3.630 2.169 1.999 2.571 . 0 0 "[ . 1 . 2]" 1
277 1 16 GLN HA 1 26 LEU MD2 . . 3.330 2.753 2.342 3.114 . 0 0 "[ . 1 . 2]" 1
278 1 16 GLN HA 1 27 SER H . . 4.480 3.172 2.797 3.565 . 0 0 "[ . 1 . 2]" 1
279 1 16 GLN HA 1 97 PHE QD . . 5.460 5.131 4.782 5.428 . 0 0 "[ . 1 . 2]" 1
280 1 16 GLN HA 1 97 PHE QE . . 5.500 4.424 3.922 4.801 . 0 0 "[ . 1 . 2]" 1
281 1 16 GLN QB 1 16 GLN QE . . 3.860 3.276 2.943 3.645 . 0 0 "[ . 1 . 2]" 1
282 1 16 GLN QB 1 16 GLN HE22 . . 4.470 3.917 3.684 4.249 . 0 0 "[ . 1 . 2]" 1
283 1 16 GLN QB 1 17 VAL H . . 4.570 3.609 3.482 3.840 . 0 0 "[ . 1 . 2]" 1
284 1 16 GLN QB 1 19 ALA MB . . 4.920 4.824 4.683 4.982 0.062 19 0 "[ . 1 . 2]" 1
285 1 16 GLN QB 1 24 ILE MG . . 4.660 4.119 3.849 4.529 . 0 0 "[ . 1 . 2]" 1
286 1 16 GLN QB 1 26 LEU HA . . 4.640 3.663 3.331 4.310 . 0 0 "[ . 1 . 2]" 1
287 1 16 GLN QB 1 26 LEU MD1 . . 5.500 4.837 4.401 5.279 . 0 0 "[ . 1 . 2]" 1
288 1 16 GLN QB 1 26 LEU MD2 . . 3.320 2.396 2.037 3.051 . 0 0 "[ . 1 . 2]" 1
289 1 16 GLN QB 1 97 PHE HB2 . . 5.500 5.411 5.221 5.505 0.005 14 0 "[ . 1 . 2]" 1
290 1 16 GLN QB 1 97 PHE HB3 . . 4.930 4.309 4.117 4.443 . 0 0 "[ . 1 . 2]" 1
291 1 16 GLN QB 1 97 PHE QD . . 3.310 2.881 2.564 3.179 . 0 0 "[ . 1 . 2]" 1
292 1 16 GLN QB 1 97 PHE QE . . 3.420 2.616 2.076 3.119 . 0 0 "[ . 1 . 2]" 1
293 1 16 GLN QB 1 97 PHE HZ . . 5.500 4.200 3.358 4.954 . 0 0 "[ . 1 . 2]" 1
294 1 16 GLN QE 1 17 VAL QG . . 5.050 4.976 4.349 5.061 0.011 19 0 "[ . 1 . 2]" 1
295 1 16 GLN QE 1 24 ILE HB . . 5.320 4.552 4.130 5.330 0.010 19 0 "[ . 1 . 2]" 1
296 1 16 GLN HE21 1 19 ALA MB . . 3.580 2.330 2.018 2.848 . 0 0 "[ . 1 . 2]" 1
297 1 16 GLN HE21 1 24 ILE MG . . 4.220 2.670 2.203 3.258 . 0 0 "[ . 1 . 2]" 1
298 1 16 GLN HE21 1 26 LEU MD2 . . 4.830 3.391 2.788 4.204 . 0 0 "[ . 1 . 2]" 1
299 1 16 GLN HE22 1 19 ALA MB . . 3.580 1.968 1.813 2.421 . 0 0 "[ . 1 . 2]" 1
300 1 16 GLN HE22 1 24 ILE MG . . 4.220 2.108 1.772 3.206 . 0 0 "[ . 1 . 2]" 1
301 1 16 GLN HE22 1 26 LEU MD2 . . 4.830 3.504 2.932 4.786 . 0 0 "[ . 1 . 2]" 1
302 1 16 GLN QG 1 17 VAL H . . 3.660 2.419 2.087 2.996 . 0 0 "[ . 1 . 2]" 1
303 1 16 GLN QG 1 17 VAL HA . . 4.400 3.764 3.578 4.410 0.010 19 0 "[ . 1 . 2]" 1
304 1 16 GLN QG 1 17 VAL HB . . 5.500 4.426 4.236 4.810 . 0 0 "[ . 1 . 2]" 1
305 1 16 GLN QG 1 17 VAL QG . . 4.230 3.983 3.836 4.258 0.028 2 0 "[ . 1 . 2]" 1
306 1 16 GLN QG 1 18 SER H . . 3.420 2.641 2.366 3.254 . 0 0 "[ . 1 . 2]" 1
307 1 16 GLN QG 1 18 SER HA . . 4.470 3.614 3.446 4.233 . 0 0 "[ . 1 . 2]" 1
308 1 16 GLN QG 1 19 ALA MB . . 3.840 3.653 3.242 3.792 . 0 0 "[ . 1 . 2]" 1
309 1 16 GLN QG 1 24 ILE MG . . 4.020 3.833 2.673 4.026 0.006 12 0 "[ . 1 . 2]" 1
310 1 16 GLN QG 1 25 THR H . . 4.860 4.413 3.746 4.843 . 0 0 "[ . 1 . 2]" 1
311 1 16 GLN QG 1 26 LEU HA . . 4.980 3.729 3.064 4.493 . 0 0 "[ . 1 . 2]" 1
312 1 16 GLN QG 1 26 LEU MD2 . . 3.820 3.233 1.800 3.824 0.004 2 0 "[ . 1 . 2]" 1
313 1 16 GLN QG 1 97 PHE HB3 . . 5.500 4.986 3.514 5.396 . 0 0 "[ . 1 . 2]" 1
314 1 16 GLN QG 1 97 PHE QD . . 4.690 4.197 3.355 4.629 . 0 0 "[ . 1 . 2]" 1
315 1 16 GLN QG 1 97 PHE QE . . 5.250 4.593 3.793 5.223 . 0 0 "[ . 1 . 2]" 1
316 1 17 VAL H 1 17 VAL HB . . 3.540 2.606 2.521 2.799 . 0 0 "[ . 1 . 2]" 1
317 1 17 VAL H 1 17 VAL MG1 . . 4.060 3.826 3.785 3.865 . 0 0 "[ . 1 . 2]" 1
318 1 17 VAL H 1 17 VAL QG . . 3.100 2.377 2.030 2.545 . 0 0 "[ . 1 . 2]" 1
319 1 17 VAL H 1 17 VAL MG2 . . 4.060 2.402 2.038 2.585 . 0 0 "[ . 1 . 2]" 1
320 1 17 VAL H 1 18 SER H . . 3.020 2.198 2.049 2.453 . 0 0 "[ . 1 . 2]" 1
321 1 17 VAL H 1 25 THR HB . . 4.970 3.672 3.325 3.933 . 0 0 "[ . 1 . 2]" 1
322 1 17 VAL H 1 26 LEU HA . . 3.750 2.715 2.366 3.149 . 0 0 "[ . 1 . 2]" 1
323 1 17 VAL H 1 26 LEU MD2 . . 4.560 3.920 3.508 4.274 . 0 0 "[ . 1 . 2]" 1
324 1 17 VAL H 1 27 SER H . . 4.600 4.224 3.954 4.577 . 0 0 "[ . 1 . 2]" 1
325 1 17 VAL HA 1 17 VAL MG1 . . 3.350 2.373 2.206 2.420 . 0 0 "[ . 1 . 2]" 1
326 1 17 VAL HA 1 17 VAL QG . . 2.850 2.134 2.088 2.148 . 0 0 "[ . 1 . 2]" 1
327 1 17 VAL HA 1 17 VAL MG2 . . 3.350 2.426 2.369 2.579 . 0 0 "[ . 1 . 2]" 1
328 1 17 VAL HB 1 18 SER H . . 3.230 2.536 2.342 2.656 . 0 0 "[ . 1 . 2]" 1
329 1 17 VAL HB 1 18 SER QB . . 5.300 3.755 3.270 4.288 . 0 0 "[ . 1 . 2]" 1
330 1 17 VAL HB 1 25 THR HB . . 3.520 3.321 3.081 3.522 0.002 11 0 "[ . 1 . 2]" 1
331 1 17 VAL QG 1 18 SER H . . 3.460 3.192 3.094 3.258 . 0 0 "[ . 1 . 2]" 1
332 1 17 VAL QG 1 18 SER HA . . 4.690 4.090 4.000 4.350 . 0 0 "[ . 1 . 2]" 1
333 1 17 VAL QG 1 18 SER QB . . 3.580 3.059 2.594 3.576 . 0 0 "[ . 1 . 2]" 1
334 1 17 VAL QG 1 25 THR HB . . 4.180 3.953 3.788 4.125 . 0 0 "[ . 1 . 2]" 1
335 1 17 VAL QG 1 26 LEU HA . . 3.750 3.536 3.194 3.753 0.003 19 0 "[ . 1 . 2]" 1
336 1 17 VAL QG 1 26 LEU HB3 . . 5.440 5.161 4.796 5.436 . 0 0 "[ . 1 . 2]" 1
337 1 17 VAL QG 1 27 SER H . . 3.980 3.668 3.277 3.983 0.003 17 0 "[ . 1 . 2]" 1
338 1 17 VAL QG 1 27 SER QB . . 2.900 2.141 1.906 2.504 . 0 0 "[ . 1 . 2]" 1
339 1 17 VAL MG1 1 18 SER H . . 4.080 3.498 3.330 3.763 . 0 0 "[ . 1 . 2]" 1
340 1 17 VAL MG2 1 18 SER H . . 4.080 3.706 3.373 3.839 . 0 0 "[ . 1 . 2]" 1
341 1 18 SER H 1 18 SER QB . . 3.660 2.991 2.789 3.355 . 0 0 "[ . 1 . 2]" 1
342 1 18 SER H 1 19 ALA H . . 4.380 4.367 4.329 4.383 0.003 5 0 "[ . 1 . 2]" 1
343 1 18 SER H 1 19 ALA HA . . 5.250 4.824 4.731 4.880 . 0 0 "[ . 1 . 2]" 1
344 1 18 SER H 1 25 THR H . . 4.480 3.885 3.704 4.041 . 0 0 "[ . 1 . 2]" 1
345 1 18 SER H 1 25 THR HA . . 5.500 4.795 4.531 5.100 . 0 0 "[ . 1 . 2]" 1
346 1 18 SER H 1 25 THR HB . . 3.170 2.170 1.898 2.442 . 0 0 "[ . 1 . 2]" 1
347 1 18 SER H 1 25 THR MG . . 4.000 3.267 2.846 3.538 . 0 0 "[ . 1 . 2]" 1
348 1 18 SER H 1 26 LEU HA . . 4.620 4.171 3.847 4.488 . 0 0 "[ . 1 . 2]" 1
349 1 18 SER HA 1 19 ALA H . . 2.860 2.540 2.308 2.653 . 0 0 "[ . 1 . 2]" 1
350 1 18 SER HA 1 19 ALA MB . . 4.240 3.722 3.666 3.831 . 0 0 "[ . 1 . 2]" 1
351 1 18 SER HA 1 25 THR MG . . 5.500 5.242 4.896 5.492 . 0 0 "[ . 1 . 2]" 1
352 1 18 SER QB 1 19 ALA H . . 3.020 2.460 1.998 2.962 . 0 0 "[ . 1 . 2]" 1
353 1 18 SER QB 1 19 ALA MB . . 4.440 4.287 4.107 4.444 0.004 12 0 "[ . 1 . 2]" 1
354 1 18 SER QB 1 25 THR H . . 4.720 4.343 4.025 4.713 . 0 0 "[ . 1 . 2]" 1
355 1 18 SER QB 1 25 THR HB . . 3.790 2.916 2.310 3.724 . 0 0 "[ . 1 . 2]" 1
356 1 18 SER HB2 1 19 ALA H . . 3.640 3.200 2.010 3.655 0.015 13 0 "[ . 1 . 2]" 1
357 1 18 SER HB3 1 19 ALA H . . 3.640 2.891 2.057 3.613 . 0 0 "[ . 1 . 2]" 1
358 1 19 ALA H 1 19 ALA MB . . 3.360 2.810 2.656 2.900 . 0 0 "[ . 1 . 2]" 1
359 1 19 ALA H 1 20 THR H . . 4.520 4.293 4.197 4.381 . 0 0 "[ . 1 . 2]" 1
360 1 19 ALA H 1 20 THR MG . . 4.810 4.159 3.820 4.813 0.003 14 0 "[ . 1 . 2]" 1
361 1 19 ALA H 1 25 THR H . . 5.140 4.212 3.991 4.430 . 0 0 "[ . 1 . 2]" 1
362 1 19 ALA H 1 100 LEU MD1 . . 4.980 4.294 3.624 4.975 . 0 0 "[ . 1 . 2]" 1
363 1 19 ALA H 1 100 LEU QD . . 4.250 3.676 3.279 4.182 . 0 0 "[ . 1 . 2]" 1
364 1 19 ALA H 1 100 LEU MD2 . . 4.980 4.285 3.352 4.965 . 0 0 "[ . 1 . 2]" 1
365 1 19 ALA HA 1 20 THR H . . 2.850 2.304 2.182 2.474 . 0 0 "[ . 1 . 2]" 1
366 1 19 ALA HA 1 20 THR MG . . 4.310 3.401 3.059 4.180 . 0 0 "[ . 1 . 2]" 1
367 1 19 ALA HA 1 24 ILE HA . . 3.280 2.061 1.989 2.210 . 0 0 "[ . 1 . 2]" 1
368 1 19 ALA HA 1 24 ILE HB . . 5.500 4.960 4.645 5.187 . 0 0 "[ . 1 . 2]" 1
369 1 19 ALA HA 1 24 ILE MG . . 4.020 3.238 2.458 3.722 . 0 0 "[ . 1 . 2]" 1
370 1 19 ALA HA 1 25 THR H . . 3.370 2.129 1.896 2.342 . 0 0 "[ . 1 . 2]" 1
371 1 19 ALA HA 1 25 THR HB . . 4.590 3.963 3.677 4.251 . 0 0 "[ . 1 . 2]" 1
372 1 19 ALA MB 1 20 THR H . . 3.170 2.702 2.250 2.966 . 0 0 "[ . 1 . 2]" 1
373 1 19 ALA MB 1 20 THR MG . . 4.750 4.166 3.680 4.625 . 0 0 "[ . 1 . 2]" 1
374 1 19 ALA MB 1 23 SER H . . 5.500 4.975 4.711 5.405 . 0 0 "[ . 1 . 2]" 1
375 1 19 ALA MB 1 24 ILE H . . 5.280 4.668 4.383 5.198 . 0 0 "[ . 1 . 2]" 1
376 1 19 ALA MB 1 24 ILE HA . . 3.480 2.156 1.935 2.849 . 0 0 "[ . 1 . 2]" 1
377 1 19 ALA MB 1 24 ILE MD . . 4.220 3.520 3.197 3.744 . 0 0 "[ . 1 . 2]" 1
378 1 19 ALA MB 1 24 ILE HG13 . . 4.280 3.823 3.540 4.085 . 0 0 "[ . 1 . 2]" 1
379 1 19 ALA MB 1 24 ILE MG . . 3.300 1.978 1.821 2.209 . 0 0 "[ . 1 . 2]" 1
380 1 19 ALA MB 1 25 THR H . . 4.270 2.706 2.109 3.149 . 0 0 "[ . 1 . 2]" 1
381 1 19 ALA MB 1 25 THR HB . . 5.500 4.457 4.147 4.882 . 0 0 "[ . 1 . 2]" 1
382 1 19 ALA MB 1 99 THR HA . . 3.350 3.103 2.737 3.352 0.002 14 0 "[ . 1 . 2]" 1
383 1 19 ALA MB 1 100 LEU H . . 4.130 3.947 3.652 4.121 . 0 0 "[ . 1 . 2]" 1
384 1 20 THR H 1 20 THR MG . . 3.560 2.557 1.890 3.492 . 0 0 "[ . 1 . 2]" 1
385 1 20 THR H 1 23 SER H . . 3.700 3.354 3.142 3.640 . 0 0 "[ . 1 . 2]" 1
386 1 20 THR H 1 24 ILE HA . . 3.670 2.567 2.186 2.938 . 0 0 "[ . 1 . 2]" 1
387 1 20 THR H 1 24 ILE HG12 . . 4.330 3.632 3.014 4.003 . 0 0 "[ . 1 . 2]" 1
388 1 20 THR H 1 24 ILE MG . . 4.990 4.201 3.509 4.677 . 0 0 "[ . 1 . 2]" 1
389 1 20 THR H 1 100 LEU H . . 5.100 4.767 4.184 5.101 0.001 4 0 "[ . 1 . 2]" 1
390 1 20 THR H 1 100 LEU QD . . 4.590 3.645 2.925 4.018 . 0 0 "[ . 1 . 2]" 1
391 1 20 THR MG 1 21 MET H . . 3.900 3.616 3.014 3.795 . 0 0 "[ . 1 . 2]" 1
392 1 20 THR MG 1 21 MET HB2 . . 5.500 5.290 4.626 5.505 0.005 5 0 "[ . 1 . 2]" 1
393 1 20 THR MG 1 22 ARG H . . 4.220 4.013 2.630 4.222 0.002 2 0 "[ . 1 . 2]" 1
394 1 20 THR MG 1 23 SER QB . . 4.520 2.621 1.849 3.597 . 0 0 "[ . 1 . 2]" 1
395 1 21 MET H 1 21 MET HB2 . . 3.560 2.245 2.181 2.428 . 0 0 "[ . 1 . 2]" 1
396 1 21 MET H 1 21 MET HB3 . . 3.970 3.528 3.489 3.608 . 0 0 "[ . 1 . 2]" 1
397 1 21 MET H 1 21 MET ME . . 4.950 4.801 4.458 4.946 . 0 0 "[ . 1 . 2]" 1
398 1 21 MET H 1 21 MET HG2 . . 4.100 3.830 3.598 3.976 . 0 0 "[ . 1 . 2]" 1
399 1 21 MET H 1 21 MET HG3 . . 3.670 2.898 2.459 3.053 . 0 0 "[ . 1 . 2]" 1
400 1 21 MET H 1 22 ARG H . . 3.460 2.420 2.301 2.589 . 0 0 "[ . 1 . 2]" 1
401 1 21 MET H 1 23 SER H . . 4.230 3.743 3.488 4.062 . 0 0 "[ . 1 . 2]" 1
402 1 21 MET H 1 100 LEU H . . 5.340 4.464 4.116 4.616 . 0 0 "[ . 1 . 2]" 1
403 1 21 MET H 1 100 LEU HB2 . . 4.800 3.700 3.236 3.983 . 0 0 "[ . 1 . 2]" 1
404 1 21 MET H 1 100 LEU QD . . 4.400 3.261 2.660 3.866 . 0 0 "[ . 1 . 2]" 1
405 1 21 MET HA 1 21 MET ME . . 4.260 3.697 3.545 3.861 . 0 0 "[ . 1 . 2]" 1
406 1 21 MET HA 1 21 MET HG2 . . 3.950 2.315 2.225 2.506 . 0 0 "[ . 1 . 2]" 1
407 1 21 MET HA 1 21 MET HG3 . . 3.690 2.988 2.893 3.095 . 0 0 "[ . 1 . 2]" 1
408 1 21 MET HA 1 72 PRO HA . . 4.290 3.428 3.124 3.822 . 0 0 "[ . 1 . 2]" 1
409 1 21 MET HA 1 99 THR MG . . 4.670 3.953 3.549 4.520 . 0 0 "[ . 1 . 2]" 1
410 1 21 MET HA 1 100 LEU H . . 3.410 2.468 2.306 2.670 . 0 0 "[ . 1 . 2]" 1
411 1 21 MET HA 1 100 LEU HB2 . . 3.930 2.431 2.059 2.817 . 0 0 "[ . 1 . 2]" 1
412 1 21 MET HA 1 100 LEU HB3 . . 4.550 4.048 3.475 4.524 . 0 0 "[ . 1 . 2]" 1
413 1 21 MET HA 1 100 LEU QD . . 4.490 3.439 3.266 3.874 . 0 0 "[ . 1 . 2]" 1
414 1 21 MET HB2 1 22 ARG H . . 3.490 3.127 2.926 3.482 . 0 0 "[ . 1 . 2]" 1
415 1 21 MET HB2 1 22 ARG HG3 . . 3.790 3.315 3.086 3.586 . 0 0 "[ . 1 . 2]" 1
416 1 21 MET HB2 1 100 LEU H . . 5.500 5.279 5.009 5.485 . 0 0 "[ . 1 . 2]" 1
417 1 21 MET HB2 1 100 LEU QD . . 4.910 4.290 3.746 4.912 0.002 2 0 "[ . 1 . 2]" 1
418 1 21 MET HB3 1 21 MET ME . . 3.270 1.973 1.873 2.079 . 0 0 "[ . 1 . 2]" 1
419 1 21 MET HB3 1 22 ARG H . . 4.100 3.736 3.410 4.108 0.008 14 0 "[ . 1 . 2]" 1
420 1 21 MET HB3 1 22 ARG QD . . 5.280 4.649 3.356 5.174 . 0 0 "[ . 1 . 2]" 1
421 1 21 MET HB3 1 22 ARG HG3 . . 4.140 3.105 2.722 3.613 . 0 0 "[ . 1 . 2]" 1
422 1 21 MET HB3 1 72 PRO HA . . 4.710 3.974 3.577 4.401 . 0 0 "[ . 1 . 2]" 1
423 1 21 MET HB3 1 72 PRO HB3 . . 3.930 2.661 2.013 3.298 . 0 0 "[ . 1 . 2]" 1
424 1 21 MET HB3 1 102 ASP QB . . 5.340 4.830 4.096 5.224 . 0 0 "[ . 1 . 2]" 1
425 1 21 MET ME 1 22 ARG HA . . 5.500 5.472 5.363 5.511 0.011 20 0 "[ . 1 . 2]" 1
426 1 21 MET ME 1 22 ARG HG3 . . 4.750 4.009 3.702 4.318 . 0 0 "[ . 1 . 2]" 1
427 1 21 MET ME 1 72 PRO HA . . 4.410 3.761 3.488 4.132 . 0 0 "[ . 1 . 2]" 1
428 1 21 MET ME 1 72 PRO HB2 . . 3.510 2.575 2.138 3.072 . 0 0 "[ . 1 . 2]" 1
429 1 21 MET ME 1 72 PRO HB3 . . 3.250 2.006 1.861 2.342 . 0 0 "[ . 1 . 2]" 1
430 1 21 MET ME 1 72 PRO HD3 . . 4.550 3.948 3.535 4.404 . 0 0 "[ . 1 . 2]" 1
431 1 21 MET ME 1 100 LEU H . . 5.500 5.269 5.001 5.498 . 0 0 "[ . 1 . 2]" 1
432 1 21 MET ME 1 100 LEU HB2 . . 4.500 4.299 4.091 4.493 . 0 0 "[ . 1 . 2]" 1
433 1 21 MET ME 1 100 LEU QD . . 5.440 4.789 4.460 5.135 . 0 0 "[ . 1 . 2]" 1
434 1 21 MET ME 1 101 THR HA . . 4.630 4.096 3.383 4.613 . 0 0 "[ . 1 . 2]" 1
435 1 21 MET ME 1 102 ASP H . . 4.690 3.015 2.580 4.691 0.001 20 0 "[ . 1 . 2]" 1
436 1 21 MET ME 1 102 ASP HB2 . . 4.290 2.311 1.902 2.862 . 0 0 "[ . 1 . 2]" 1
437 1 21 MET ME 1 102 ASP HB3 . . 4.290 2.621 2.167 3.334 . 0 0 "[ . 1 . 2]" 1
438 1 21 MET HG2 1 22 ARG H . . 5.300 5.126 5.044 5.249 . 0 0 "[ . 1 . 2]" 1
439 1 21 MET HG2 1 100 LEU H . . 4.490 3.732 3.416 4.248 . 0 0 "[ . 1 . 2]" 1
440 1 21 MET HG2 1 100 LEU HB2 . . 3.840 2.159 1.998 2.386 . 0 0 "[ . 1 . 2]" 1
441 1 21 MET HG2 1 100 LEU HB3 . . 4.130 2.964 2.151 3.646 . 0 0 "[ . 1 . 2]" 1
442 1 21 MET HG2 1 100 LEU QD . . 4.590 3.484 2.821 4.006 . 0 0 "[ . 1 . 2]" 1
443 1 21 MET HG2 1 101 THR HA . . 5.330 4.564 3.872 5.154 . 0 0 "[ . 1 . 2]" 1
444 1 21 MET HG2 1 102 ASP H . . 4.790 4.186 3.882 4.591 . 0 0 "[ . 1 . 2]" 1
445 1 21 MET HG2 1 102 ASP QB . . 4.580 3.907 3.048 4.454 . 0 0 "[ . 1 . 2]" 1
446 1 21 MET HG3 1 22 ARG H . . 4.840 4.807 4.524 4.855 0.015 17 0 "[ . 1 . 2]" 1
447 1 21 MET HG3 1 100 LEU HB2 . . 3.840 2.472 2.045 2.873 . 0 0 "[ . 1 . 2]" 1
448 1 21 MET HG3 1 100 LEU HB3 . . 4.230 3.277 2.673 3.944 . 0 0 "[ . 1 . 2]" 1
449 1 21 MET HG3 1 100 LEU QD . . 4.410 2.873 2.373 3.855 . 0 0 "[ . 1 . 2]" 1
450 1 22 ARG H 1 22 ARG HB2 . . 3.530 2.654 2.508 2.936 . 0 0 "[ . 1 . 2]" 1
451 1 22 ARG H 1 22 ARG HD2 . . 5.230 4.583 1.996 5.232 0.002 1 0 "[ . 1 . 2]" 1
452 1 22 ARG H 1 22 ARG QD . . 4.500 4.087 1.988 4.513 0.013 14 0 "[ . 1 . 2]" 1
453 1 22 ARG H 1 22 ARG HD3 . . 5.230 4.804 3.692 5.226 . 0 0 "[ . 1 . 2]" 1
454 1 22 ARG H 1 22 ARG HG2 . . 4.410 4.174 3.955 4.407 . 0 0 "[ . 1 . 2]" 1
455 1 22 ARG H 1 22 ARG HG3 . . 3.920 2.990 2.706 3.196 . 0 0 "[ . 1 . 2]" 1
456 1 22 ARG H 1 23 SER HA . . 4.910 4.727 4.585 4.853 . 0 0 "[ . 1 . 2]" 1
457 1 22 ARG H 1 23 SER QB . . 4.960 4.104 3.623 4.449 . 0 0 "[ . 1 . 2]" 1
458 1 22 ARG H 1 100 LEU QD . . 5.160 4.858 4.553 5.077 . 0 0 "[ . 1 . 2]" 1
459 1 22 ARG HA 1 22 ARG QD . . 4.860 4.110 3.735 4.232 . 0 0 "[ . 1 . 2]" 1
460 1 22 ARG HA 1 22 ARG HG2 . . 3.700 2.751 2.488 3.698 . 0 0 "[ . 1 . 2]" 1
461 1 22 ARG HA 1 22 ARG HG3 . . 3.880 2.903 2.665 3.171 . 0 0 "[ . 1 . 2]" 1
462 1 22 ARG HA 1 23 SER HA . . 4.840 4.416 4.360 4.460 . 0 0 "[ . 1 . 2]" 1
463 1 22 ARG HA 1 70 LEU H . . 3.890 3.264 2.986 3.488 . 0 0 "[ . 1 . 2]" 1
464 1 22 ARG HA 1 70 LEU HB2 . . 3.790 3.414 3.043 3.741 . 0 0 "[ . 1 . 2]" 1
465 1 22 ARG HA 1 70 LEU HG . . 5.500 4.965 4.724 5.428 . 0 0 "[ . 1 . 2]" 1
466 1 22 ARG HA 1 72 PRO HD3 . . 5.020 4.164 3.837 4.528 . 0 0 "[ . 1 . 2]" 1
467 1 22 ARG HA 1 99 THR MG . . 4.070 3.633 3.136 4.037 . 0 0 "[ . 1 . 2]" 1
468 1 22 ARG HB2 1 22 ARG HD2 . . 3.950 2.832 2.187 3.703 . 0 0 "[ . 1 . 2]" 1
469 1 22 ARG HB2 1 22 ARG QD . . 3.210 2.386 2.131 2.647 . 0 0 "[ . 1 . 2]" 1
470 1 22 ARG HB2 1 22 ARG HD3 . . 3.950 2.905 2.246 3.631 . 0 0 "[ . 1 . 2]" 1
471 1 22 ARG HB2 1 23 SER H . . 4.080 3.801 3.516 4.131 0.051 12 0 "[ . 1 . 2]" 1
472 1 22 ARG HB2 1 23 SER HA . . 5.500 5.094 4.866 5.212 . 0 0 "[ . 1 . 2]" 1
473 1 22 ARG HB2 1 69 GLY H . . 4.960 4.463 3.615 4.854 . 0 0 "[ . 1 . 2]" 1
474 1 22 ARG HB2 1 70 LEU H . . 5.020 4.597 3.664 5.021 0.001 19 0 "[ . 1 . 2]" 1
475 1 22 ARG HB3 1 22 ARG HD2 . . 3.930 3.256 2.581 3.902 . 0 0 "[ . 1 . 2]" 1
476 1 22 ARG HB3 1 22 ARG QD . . 3.210 2.658 2.214 3.221 0.011 12 0 "[ . 1 . 2]" 1
477 1 22 ARG HB3 1 22 ARG HD3 . . 3.930 3.088 2.249 3.848 . 0 0 "[ . 1 . 2]" 1
478 1 22 ARG HB3 1 23 SER H . . 4.630 4.374 4.272 4.568 . 0 0 "[ . 1 . 2]" 1
479 1 22 ARG HB3 1 69 GLY H . . 4.350 3.563 3.290 4.036 . 0 0 "[ . 1 . 2]" 1
480 1 22 ARG HB3 1 70 LEU H . . 3.750 3.273 2.797 3.744 . 0 0 "[ . 1 . 2]" 1
481 1 22 ARG QD 1 72 PRO HD3 . . 5.340 5.094 4.615 5.349 0.009 14 0 "[ . 1 . 2]" 1
482 1 22 ARG HG2 1 71 ARG HA . . 4.780 4.137 3.613 4.771 . 0 0 "[ . 1 . 2]" 1
483 1 22 ARG HG2 1 72 PRO HD2 . . 5.500 5.151 4.579 5.503 0.003 11 0 "[ . 1 . 2]" 1
484 1 22 ARG HG2 1 72 PRO HD3 . . 4.250 3.559 2.974 3.910 . 0 0 "[ . 1 . 2]" 1
485 1 22 ARG HG3 1 72 PRO HD3 . . 4.670 4.099 3.257 4.619 . 0 0 "[ . 1 . 2]" 1
486 1 23 SER H 1 23 SER QB . . 3.660 3.009 2.707 3.119 . 0 0 "[ . 1 . 2]" 1
487 1 23 SER H 1 24 ILE H . . 4.570 4.379 4.369 4.416 . 0 0 "[ . 1 . 2]" 1
488 1 23 SER H 1 24 ILE HG12 . . 4.980 4.529 4.221 4.791 . 0 0 "[ . 1 . 2]" 1
489 1 23 SER H 1 68 ASP HA . . 5.110 4.844 4.577 5.093 . 0 0 "[ . 1 . 2]" 1
490 1 23 SER H 1 70 LEU HB2 . . 4.430 4.275 3.979 4.429 . 0 0 "[ . 1 . 2]" 1
491 1 23 SER H 1 70 LEU MD1 . . 4.460 4.041 3.611 4.345 . 0 0 "[ . 1 . 2]" 1
492 1 23 SER H 1 99 THR HA . . 5.500 5.227 4.669 5.492 . 0 0 "[ . 1 . 2]" 1
493 1 23 SER H 1 99 THR MG . . 3.540 3.225 2.952 3.540 0.000 5 0 "[ . 1 . 2]" 1
494 1 23 SER HA 1 24 ILE H . . 2.950 2.522 2.425 2.588 . 0 0 "[ . 1 . 2]" 1
495 1 23 SER HA 1 24 ILE HA . . 5.230 4.541 4.500 4.568 . 0 0 "[ . 1 . 2]" 1
496 1 23 SER HA 1 67 ILE HB . . 4.370 4.167 3.966 4.381 0.011 14 0 "[ . 1 . 2]" 1
497 1 23 SER HA 1 68 ASP HA . . 3.540 2.490 2.229 2.801 . 0 0 "[ . 1 . 2]" 1
498 1 23 SER HA 1 69 GLY H . . 4.720 3.485 3.275 3.646 . 0 0 "[ . 1 . 2]" 1
499 1 23 SER HA 1 70 LEU H . . 4.330 3.774 3.496 4.047 . 0 0 "[ . 1 . 2]" 1
500 1 23 SER HA 1 70 LEU HB2 . . 4.200 3.713 3.321 3.894 . 0 0 "[ . 1 . 2]" 1
501 1 23 SER HA 1 70 LEU HB3 . . 5.270 5.159 4.873 5.270 0.000 13 0 "[ . 1 . 2]" 1
502 1 23 SER HA 1 70 LEU MD1 . . 3.520 2.533 2.104 2.973 . 0 0 "[ . 1 . 2]" 1
503 1 23 SER HA 1 70 LEU MD2 . . 4.650 4.544 4.353 4.651 0.001 8 0 "[ . 1 . 2]" 1
504 1 23 SER HA 1 70 LEU HG . . 4.380 3.142 2.894 3.243 . 0 0 "[ . 1 . 2]" 1
505 1 23 SER HA 1 99 THR MG . . 4.360 3.900 3.675 4.098 . 0 0 "[ . 1 . 2]" 1
506 1 23 SER QB 1 24 ILE H . . 3.200 2.440 2.180 3.129 . 0 0 "[ . 1 . 2]" 1
507 1 23 SER QB 1 66 ARG QD . . 3.860 2.764 1.957 3.611 . 0 0 "[ . 1 . 2]" 1
508 1 23 SER QB 1 66 ARG QG . . 3.490 2.742 2.387 3.377 . 0 0 "[ . 1 . 2]" 1
509 1 23 SER QB 1 67 ILE H . . 4.710 4.310 4.018 4.713 0.003 11 0 "[ . 1 . 2]" 1
510 1 23 SER QB 1 68 ASP HA . . 3.470 2.290 1.992 3.029 . 0 0 "[ . 1 . 2]" 1
511 1 23 SER QB 1 68 ASP QB . . 4.000 2.956 2.473 3.526 . 0 0 "[ . 1 . 2]" 1
512 1 23 SER QB 1 99 THR MG . . 5.340 4.926 4.734 5.086 . 0 0 "[ . 1 . 2]" 1
513 1 23 SER HB2 1 24 ILE H . . 3.880 3.041 2.374 3.542 . 0 0 "[ . 1 . 2]" 1
514 1 23 SER HB2 1 66 ARG HG2 . . 4.570 3.719 2.562 4.528 . 0 0 "[ . 1 . 2]" 1
515 1 23 SER HB2 1 66 ARG HG3 . . 4.570 3.904 3.166 4.473 . 0 0 "[ . 1 . 2]" 1
516 1 23 SER HB2 1 68 ASP HA . . 4.000 3.416 2.000 4.001 0.001 18 0 "[ . 1 . 2]" 1
517 1 23 SER HB2 1 68 ASP HB2 . . 5.500 4.772 3.180 5.499 . 0 0 "[ . 1 . 2]" 1
518 1 23 SER HB2 1 68 ASP HB3 . . 5.500 4.185 2.583 5.206 . 0 0 "[ . 1 . 2]" 1
519 1 23 SER HB3 1 24 ILE H . . 3.880 2.736 2.201 3.821 . 0 0 "[ . 1 . 2]" 1
520 1 23 SER HB3 1 66 ARG HG2 . . 4.570 3.301 2.715 4.563 . 0 0 "[ . 1 . 2]" 1
521 1 23 SER HB3 1 66 ARG HG3 . . 4.570 3.841 2.553 4.560 . 0 0 "[ . 1 . 2]" 1
522 1 23 SER HB3 1 68 ASP HA . . 4.000 2.626 2.012 3.730 . 0 0 "[ . 1 . 2]" 1
523 1 23 SER HB3 1 68 ASP HB2 . . 5.500 4.080 3.525 4.816 . 0 0 "[ . 1 . 2]" 1
524 1 23 SER HB3 1 68 ASP HB3 . . 5.500 3.465 3.023 4.500 . 0 0 "[ . 1 . 2]" 1
525 1 24 ILE H 1 24 ILE HB . . 3.570 2.976 2.886 3.065 . 0 0 "[ . 1 . 2]" 1
526 1 24 ILE H 1 24 ILE MD . . 4.760 4.299 4.114 4.429 . 0 0 "[ . 1 . 2]" 1
527 1 24 ILE H 1 24 ILE HG12 . . 4.540 4.074 3.930 4.207 . 0 0 "[ . 1 . 2]" 1
528 1 24 ILE H 1 24 ILE HG13 . . 4.680 3.040 2.871 3.215 . 0 0 "[ . 1 . 2]" 1
529 1 24 ILE H 1 24 ILE MG . . 4.220 3.975 3.947 4.013 . 0 0 "[ . 1 . 2]" 1
530 1 24 ILE H 1 25 THR H . . 4.690 4.220 3.992 4.357 . 0 0 "[ . 1 . 2]" 1
531 1 24 ILE H 1 66 ARG QB . . 5.310 4.772 4.445 5.141 . 0 0 "[ . 1 . 2]" 1
532 1 24 ILE H 1 66 ARG QG . . 4.130 2.732 2.363 3.180 . 0 0 "[ . 1 . 2]" 1
533 1 24 ILE H 1 67 ILE H . . 3.570 2.945 2.710 3.143 . 0 0 "[ . 1 . 2]" 1
534 1 24 ILE H 1 67 ILE HB . . 3.900 3.260 2.821 3.496 . 0 0 "[ . 1 . 2]" 1
535 1 24 ILE H 1 67 ILE HG12 . . 4.730 4.433 4.219 4.597 . 0 0 "[ . 1 . 2]" 1
536 1 24 ILE H 1 67 ILE HG13 . . 5.500 5.232 4.890 5.500 . 0 0 "[ . 1 . 2]" 1
537 1 24 ILE H 1 67 ILE MG . . 4.750 4.473 4.018 4.700 . 0 0 "[ . 1 . 2]" 1
538 1 24 ILE H 1 68 ASP HA . . 3.920 3.818 3.604 3.923 0.003 17 0 "[ . 1 . 2]" 1
539 1 24 ILE H 1 70 LEU MD1 . . 3.600 3.292 3.047 3.573 . 0 0 "[ . 1 . 2]" 1
540 1 24 ILE H 1 99 THR MG . . 4.960 4.763 4.433 4.959 . 0 0 "[ . 1 . 2]" 1
541 1 24 ILE HA 1 24 ILE MD . . 4.750 3.864 3.796 3.922 . 0 0 "[ . 1 . 2]" 1
542 1 24 ILE HA 1 24 ILE MG . . 3.440 2.331 2.163 2.424 . 0 0 "[ . 1 . 2]" 1
543 1 24 ILE HA 1 25 THR H . . 2.920 2.184 2.138 2.269 . 0 0 "[ . 1 . 2]" 1
544 1 24 ILE HA 1 25 THR HB . . 4.920 4.844 4.677 4.921 0.001 16 0 "[ . 1 . 2]" 1
545 1 24 ILE HA 1 70 LEU MD1 . . 4.670 4.470 4.247 4.649 . 0 0 "[ . 1 . 2]" 1
546 1 24 ILE HA 1 99 THR MG . . 4.820 4.373 4.082 4.603 . 0 0 "[ . 1 . 2]" 1
547 1 24 ILE HA 1 100 LEU QD . . 5.440 5.043 4.569 5.438 . 0 0 "[ . 1 . 2]" 1
548 1 24 ILE HB 1 24 ILE MD . . 3.360 2.330 2.248 2.428 . 0 0 "[ . 1 . 2]" 1
549 1 24 ILE HB 1 25 THR H . . 4.190 4.002 3.697 4.195 0.005 16 0 "[ . 1 . 2]" 1
550 1 24 ILE HB 1 25 THR HA . . 5.500 4.790 4.630 4.954 . 0 0 "[ . 1 . 2]" 1
551 1 24 ILE HB 1 26 LEU MD2 . . 4.230 3.800 3.535 4.088 . 0 0 "[ . 1 . 2]" 1
552 1 24 ILE HB 1 67 ILE MG . . 5.020 4.544 4.057 4.950 . 0 0 "[ . 1 . 2]" 1
553 1 24 ILE HB 1 70 LEU MD1 . . 3.970 3.142 2.892 3.385 . 0 0 "[ . 1 . 2]" 1
554 1 24 ILE MD 1 26 LEU MD2 . . 4.430 3.899 3.608 4.100 . 0 0 "[ . 1 . 2]" 1
555 1 24 ILE MD 1 67 ILE HB . . 4.660 4.030 3.454 4.317 . 0 0 "[ . 1 . 2]" 1
556 1 24 ILE MD 1 67 ILE MG . . 4.710 4.526 4.043 4.708 . 0 0 "[ . 1 . 2]" 1
557 1 24 ILE MD 1 70 LEU MD1 . . 3.300 1.975 1.833 2.273 . 0 0 "[ . 1 . 2]" 1
558 1 24 ILE MD 1 70 LEU MD2 . . 4.690 3.802 3.639 3.974 . 0 0 "[ . 1 . 2]" 1
559 1 24 ILE MD 1 76 TYR HB2 . . 4.500 2.912 2.618 3.084 . 0 0 "[ . 1 . 2]" 1
560 1 24 ILE MD 1 76 TYR HB3 . . 4.480 4.185 3.850 4.429 . 0 0 "[ . 1 . 2]" 1
561 1 24 ILE MD 1 76 TYR QD . . 3.690 2.821 2.298 3.233 . 0 0 "[ . 1 . 2]" 1
562 1 24 ILE MD 1 78 VAL HB . . 5.500 5.450 5.178 5.503 0.003 17 0 "[ . 1 . 2]" 1
563 1 24 ILE MD 1 97 PHE H . . 4.920 4.421 4.148 4.666 . 0 0 "[ . 1 . 2]" 1
564 1 24 ILE MD 1 97 PHE HB2 . . 3.500 2.776 2.419 2.973 . 0 0 "[ . 1 . 2]" 1
565 1 24 ILE MD 1 97 PHE HB3 . . 3.590 3.113 2.806 3.365 . 0 0 "[ . 1 . 2]" 1
566 1 24 ILE MD 1 97 PHE QD . . 4.380 4.196 3.862 4.371 . 0 0 "[ . 1 . 2]" 1
567 1 24 ILE MD 1 98 GLN H . . 4.520 4.065 3.676 4.321 . 0 0 "[ . 1 . 2]" 1
568 1 24 ILE MD 1 98 GLN HA . . 4.320 3.239 2.941 3.638 . 0 0 "[ . 1 . 2]" 1
569 1 24 ILE MD 1 98 GLN HB2 . . 5.500 5.068 4.618 5.484 . 0 0 "[ . 1 . 2]" 1
570 1 24 ILE MD 1 98 GLN HB3 . . 5.500 5.178 4.836 5.499 . 0 0 "[ . 1 . 2]" 1
571 1 24 ILE MD 1 99 THR H . . 4.250 3.382 2.792 3.785 . 0 0 "[ . 1 . 2]" 1
572 1 24 ILE MD 1 99 THR HA . . 4.150 3.156 2.794 3.356 . 0 0 "[ . 1 . 2]" 1
573 1 24 ILE HG12 1 24 ILE MG . . 3.540 2.323 2.210 2.452 . 0 0 "[ . 1 . 2]" 1
574 1 24 ILE HG12 1 70 LEU MD1 . . 3.660 3.377 3.119 3.543 . 0 0 "[ . 1 . 2]" 1
575 1 24 ILE HG12 1 99 THR HA . . 3.930 2.859 2.649 3.050 . 0 0 "[ . 1 . 2]" 1
576 1 24 ILE HG12 1 99 THR MG . . 3.570 2.331 2.040 2.769 . 0 0 "[ . 1 . 2]" 1
577 1 24 ILE HG13 1 67 ILE HB . . 4.550 4.062 3.790 4.408 . 0 0 "[ . 1 . 2]" 1
578 1 24 ILE HG13 1 67 ILE MG . . 5.340 5.005 4.578 5.285 . 0 0 "[ . 1 . 2]" 1
579 1 24 ILE HG13 1 70 LEU MD1 . . 3.920 2.009 1.859 2.168 . 0 0 "[ . 1 . 2]" 1
580 1 24 ILE HG13 1 99 THR HA . . 4.440 4.160 3.828 4.440 . 0 0 "[ . 1 . 2]" 1
581 1 24 ILE HG13 1 99 THR MG . . 3.950 2.435 2.093 2.756 . 0 0 "[ . 1 . 2]" 1
582 1 24 ILE MG 1 25 THR H . . 3.590 2.295 1.900 2.851 . 0 0 "[ . 1 . 2]" 1
583 1 24 ILE MG 1 26 LEU H . . 4.780 4.526 4.017 4.788 0.008 19 0 "[ . 1 . 2]" 1
584 1 24 ILE MG 1 26 LEU HA . . 4.740 4.488 4.240 4.637 . 0 0 "[ . 1 . 2]" 1
585 1 24 ILE MG 1 26 LEU HB3 . . 5.310 4.895 4.554 5.257 . 0 0 "[ . 1 . 2]" 1
586 1 24 ILE MG 1 26 LEU MD2 . . 3.120 2.075 1.886 2.389 . 0 0 "[ . 1 . 2]" 1
587 1 24 ILE MG 1 67 ILE H . . 4.630 4.447 4.204 4.634 0.004 9 0 "[ . 1 . 2]" 1
588 1 24 ILE MG 1 70 LEU MD1 . . 4.150 3.989 3.812 4.134 . 0 0 "[ . 1 . 2]" 1
589 1 24 ILE MG 1 97 PHE HB2 . . 4.000 2.779 2.358 3.081 . 0 0 "[ . 1 . 2]" 1
590 1 24 ILE MG 1 97 PHE HB3 . . 3.840 2.444 2.186 2.769 . 0 0 "[ . 1 . 2]" 1
591 1 24 ILE MG 1 97 PHE QD . . 4.050 3.658 3.375 3.897 . 0 0 "[ . 1 . 2]" 1
592 1 24 ILE MG 1 98 GLN H . . 4.810 4.679 4.437 4.815 0.005 2 0 "[ . 1 . 2]" 1
593 1 24 ILE MG 1 99 THR HA . . 4.360 4.074 3.660 4.350 . 0 0 "[ . 1 . 2]" 1
594 1 25 THR H 1 25 THR HB . . 3.340 2.757 2.590 2.850 . 0 0 "[ . 1 . 2]" 1
595 1 25 THR H 1 25 THR MG . . 4.020 3.855 3.812 3.895 . 0 0 "[ . 1 . 2]" 1
596 1 25 THR H 1 66 ARG QG . . 4.820 3.819 3.169 4.387 . 0 0 "[ . 1 . 2]" 1
597 1 25 THR H 1 67 ILE H . . 5.200 4.944 4.740 5.084 . 0 0 "[ . 1 . 2]" 1
598 1 25 THR HA 1 25 THR MG . . 3.290 2.168 2.077 2.318 . 0 0 "[ . 1 . 2]" 1
599 1 25 THR HA 1 26 LEU H . . 2.920 2.190 2.142 2.268 . 0 0 "[ . 1 . 2]" 1
600 1 25 THR HA 1 65 ALA H . . 5.500 5.275 5.095 5.479 . 0 0 "[ . 1 . 2]" 1
601 1 25 THR HA 1 66 ARG H . . 5.100 4.820 4.509 5.058 . 0 0 "[ . 1 . 2]" 1
602 1 25 THR HA 1 66 ARG HA . . 3.510 2.304 2.096 2.464 . 0 0 "[ . 1 . 2]" 1
603 1 25 THR HA 1 66 ARG HB2 . . 4.780 2.821 2.310 3.374 . 0 0 "[ . 1 . 2]" 1
604 1 25 THR HA 1 66 ARG QB . . 4.090 2.784 2.292 3.309 . 0 0 "[ . 1 . 2]" 1
605 1 25 THR HA 1 66 ARG HB3 . . 4.780 4.318 3.844 4.774 . 0 0 "[ . 1 . 2]" 1
606 1 25 THR HA 1 66 ARG QG . . 4.510 2.861 2.323 3.432 . 0 0 "[ . 1 . 2]" 1
607 1 25 THR HA 1 67 ILE H . . 3.700 3.544 3.288 3.702 0.002 1 0 "[ . 1 . 2]" 1
608 1 25 THR HB 1 26 LEU H . . 4.620 3.896 3.699 4.083 . 0 0 "[ . 1 . 2]" 1
609 1 25 THR MG 1 26 LEU H . . 3.350 2.364 1.990 2.693 . 0 0 "[ . 1 . 2]" 1
610 1 25 THR MG 1 26 LEU HA . . 4.950 3.882 3.519 4.139 . 0 0 "[ . 1 . 2]" 1
611 1 25 THR MG 1 65 ALA H . . 4.570 4.284 4.045 4.537 . 0 0 "[ . 1 . 2]" 1
612 1 25 THR MG 1 65 ALA HA . . 5.500 4.779 4.333 5.082 . 0 0 "[ . 1 . 2]" 1
613 1 25 THR MG 1 66 ARG HA . . 3.900 3.335 2.826 3.679 . 0 0 "[ . 1 . 2]" 1
614 1 26 LEU H 1 26 LEU HB2 . . 3.530 2.921 2.782 3.103 . 0 0 "[ . 1 . 2]" 1
615 1 26 LEU H 1 26 LEU MD1 . . 4.320 3.825 3.517 4.121 . 0 0 "[ . 1 . 2]" 1
616 1 26 LEU H 1 26 LEU MD2 . . 4.290 3.855 3.663 4.083 . 0 0 "[ . 1 . 2]" 1
617 1 26 LEU H 1 26 LEU HG . . 3.830 2.748 2.461 3.041 . 0 0 "[ . 1 . 2]" 1
618 1 26 LEU H 1 27 SER H . . 4.610 4.430 4.402 4.476 . 0 0 "[ . 1 . 2]" 1
619 1 26 LEU H 1 28 TRP HZ3 . . 4.590 4.394 3.977 4.569 . 0 0 "[ . 1 . 2]" 1
620 1 26 LEU H 1 65 ALA H . . 3.840 3.692 3.472 3.815 . 0 0 "[ . 1 . 2]" 1
621 1 26 LEU H 1 65 ALA MB . . 5.040 4.844 4.599 5.033 . 0 0 "[ . 1 . 2]" 1
622 1 26 LEU H 1 66 ARG HA . . 3.760 3.183 2.804 3.470 . 0 0 "[ . 1 . 2]" 1
623 1 26 LEU HA 1 26 LEU MD1 . . 4.430 3.995 3.918 4.042 . 0 0 "[ . 1 . 2]" 1
624 1 26 LEU HA 1 26 LEU MD2 . . 3.390 2.395 2.020 2.689 . 0 0 "[ . 1 . 2]" 1
625 1 26 LEU HA 1 26 LEU HG . . 4.080 3.156 3.044 3.250 . 0 0 "[ . 1 . 2]" 1
626 1 26 LEU HA 1 27 SER H . . 3.130 2.457 2.361 2.564 . 0 0 "[ . 1 . 2]" 1
627 1 26 LEU HA 1 27 SER QB . . 4.690 3.926 3.854 4.190 . 0 0 "[ . 1 . 2]" 1
628 1 26 LEU HB2 1 26 LEU MD1 . . 3.410 2.207 2.138 2.297 . 0 0 "[ . 1 . 2]" 1
629 1 26 LEU HB2 1 27 SER H . . 4.370 3.235 2.952 3.597 . 0 0 "[ . 1 . 2]" 1
630 1 26 LEU HB2 1 28 TRP HE3 . . 4.400 3.546 3.134 3.776 . 0 0 "[ . 1 . 2]" 1
631 1 26 LEU HB2 1 28 TRP HH2 . . 5.500 4.948 4.519 5.387 . 0 0 "[ . 1 . 2]" 1
632 1 26 LEU HB2 1 28 TRP HZ3 . . 3.860 2.675 2.364 3.086 . 0 0 "[ . 1 . 2]" 1
633 1 26 LEU HB2 1 65 ALA H . . 4.280 4.024 3.571 4.258 . 0 0 "[ . 1 . 2]" 1
634 1 26 LEU HB2 1 78 VAL QG . . 4.470 3.969 3.752 4.309 . 0 0 "[ . 1 . 2]" 1
635 1 26 LEU HB3 1 26 LEU MD2 . . 3.350 2.233 2.046 2.380 . 0 0 "[ . 1 . 2]" 1
636 1 26 LEU HB3 1 27 SER H . . 3.840 2.421 2.259 2.580 . 0 0 "[ . 1 . 2]" 1
637 1 26 LEU HB3 1 28 TRP HE3 . . 4.260 3.805 3.368 4.015 . 0 0 "[ . 1 . 2]" 1
638 1 26 LEU HB3 1 28 TRP HZ3 . . 4.430 4.000 3.363 4.305 . 0 0 "[ . 1 . 2]" 1
639 1 26 LEU HB3 1 78 VAL QG . . 5.440 4.406 4.132 4.853 . 0 0 "[ . 1 . 2]" 1
640 1 26 LEU MD1 1 28 TRP HE3 . . 4.780 4.427 4.072 4.764 . 0 0 "[ . 1 . 2]" 1
641 1 26 LEU MD1 1 28 TRP HZ3 . . 4.510 3.705 3.345 4.166 . 0 0 "[ . 1 . 2]" 1
642 1 26 LEU MD1 1 67 ILE HB . . 5.290 4.561 4.191 4.925 . 0 0 "[ . 1 . 2]" 1
643 1 26 LEU MD1 1 67 ILE MD . . 3.590 3.230 2.850 3.565 . 0 0 "[ . 1 . 2]" 1
644 1 26 LEU MD1 1 78 VAL HB . . 3.980 2.404 2.058 2.571 . 0 0 "[ . 1 . 2]" 1
645 1 26 LEU MD1 1 78 VAL MG1 . . 3.300 1.934 1.786 2.155 . 0 0 "[ . 1 . 2]" 1
646 1 26 LEU MD1 1 78 VAL QG . . 2.760 1.857 1.727 2.079 . 0 0 "[ . 1 . 2]" 1
647 1 26 LEU MD1 1 78 VAL MG2 . . 3.300 2.427 2.138 2.735 . 0 0 "[ . 1 . 2]" 1
648 1 26 LEU MD1 1 97 PHE QD . . 3.920 2.875 2.306 3.424 . 0 0 "[ . 1 . 2]" 1
649 1 26 LEU MD1 1 97 PHE QE . . 4.450 3.084 2.548 3.559 . 0 0 "[ . 1 . 2]" 1
650 1 26 LEU MD2 1 27 SER H . . 4.310 3.793 3.535 3.949 . 0 0 "[ . 1 . 2]" 1
651 1 26 LEU MD2 1 66 ARG HA . . 5.500 5.438 5.272 5.502 0.002 20 0 "[ . 1 . 2]" 1
652 1 26 LEU MD2 1 78 VAL HB . . 4.700 3.740 3.406 4.060 . 0 0 "[ . 1 . 2]" 1
653 1 26 LEU MD2 1 78 VAL MG1 . . 4.150 3.896 3.582 4.148 . 0 0 "[ . 1 . 2]" 1
654 1 26 LEU MD2 1 78 VAL MG2 . . 4.150 3.624 3.270 3.940 . 0 0 "[ . 1 . 2]" 1
655 1 26 LEU MD2 1 97 PHE HB2 . . 4.570 3.128 2.884 3.502 . 0 0 "[ . 1 . 2]" 1
656 1 26 LEU MD2 1 97 PHE HB3 . . 4.380 2.976 2.773 3.295 . 0 0 "[ . 1 . 2]" 1
657 1 26 LEU MD2 1 97 PHE QD . . 3.860 2.714 2.546 2.943 . 0 0 "[ . 1 . 2]" 1
658 1 26 LEU MD2 1 97 PHE QE . . 4.090 2.826 2.578 3.111 . 0 0 "[ . 1 . 2]" 1
659 1 26 LEU MD2 1 97 PHE HZ . . 4.700 3.264 2.963 3.533 . 0 0 "[ . 1 . 2]" 1
660 1 26 LEU HG 1 67 ILE MD . . 5.160 4.833 4.480 5.161 0.001 17 0 "[ . 1 . 2]" 1
661 1 27 SER H 1 27 SER HB2 . . 4.140 3.516 2.975 4.030 . 0 0 "[ . 1 . 2]" 1
662 1 27 SER H 1 27 SER QB . . 3.580 2.869 2.663 3.128 . 0 0 "[ . 1 . 2]" 1
663 1 27 SER H 1 27 SER HB3 . . 4.140 3.087 2.763 3.961 . 0 0 "[ . 1 . 2]" 1
664 1 27 SER H 1 28 TRP H . . 4.590 4.272 4.074 4.389 . 0 0 "[ . 1 . 2]" 1
665 1 27 SER H 1 28 TRP HE3 . . 4.610 3.340 3.109 3.555 . 0 0 "[ . 1 . 2]" 1
666 1 27 SER QB 1 28 TRP H . . 3.690 3.336 2.503 3.693 0.003 2 0 "[ . 1 . 2]" 1
667 1 27 SER QB 1 64 THR HA . . 4.220 3.783 3.440 4.153 . 0 0 "[ . 1 . 2]" 1
668 1 27 SER QB 1 64 THR HB . . 4.500 3.345 2.939 3.614 . 0 0 "[ . 1 . 2]" 1
669 1 27 SER QB 1 64 THR MG . . 4.880 4.593 4.250 4.816 . 0 0 "[ . 1 . 2]" 1
670 1 27 SER HB2 1 28 TRP H . . 4.410 3.760 2.532 4.330 . 0 0 "[ . 1 . 2]" 1
671 1 27 SER HB3 1 28 TRP H . . 4.410 3.924 3.320 4.363 . 0 0 "[ . 1 . 2]" 1
672 1 28 TRP H 1 28 TRP HE3 . . 3.860 2.991 2.665 3.372 . 0 0 "[ . 1 . 2]" 1
673 1 28 TRP H 1 63 ASN HB2 . . 4.830 4.685 4.538 4.820 . 0 0 "[ . 1 . 2]" 1
674 1 28 TRP H 1 63 ASN HB3 . . 3.760 3.066 2.956 3.187 . 0 0 "[ . 1 . 2]" 1
675 1 28 TRP H 1 63 ASN HD21 . . 4.300 3.792 3.671 3.905 . 0 0 "[ . 1 . 2]" 1
676 1 28 TRP H 1 63 ASN HD22 . . 5.500 5.483 5.378 5.509 0.009 10 0 "[ . 1 . 2]" 1
677 1 28 TRP H 1 64 THR HA . . 3.840 3.786 3.681 3.843 0.003 16 0 "[ . 1 . 2]" 1
678 1 28 TRP H 1 64 THR MG . . 5.500 5.431 5.282 5.507 0.007 14 0 "[ . 1 . 2]" 1
679 1 28 TRP HA 1 28 TRP HD1 . . 4.880 4.576 4.502 4.634 . 0 0 "[ . 1 . 2]" 1
680 1 28 TRP HA 1 28 TRP HE3 . . 5.050 4.026 3.926 4.146 . 0 0 "[ . 1 . 2]" 1
681 1 28 TRP HA 1 29 PRO HD2 . . 3.320 2.296 2.251 2.349 . 0 0 "[ . 1 . 2]" 1
682 1 28 TRP HA 1 29 PRO HD3 . . 3.090 2.268 2.259 2.281 . 0 0 "[ . 1 . 2]" 1
683 1 28 TRP HA 1 29 PRO QG . . 3.960 3.939 3.912 3.970 0.010 16 0 "[ . 1 . 2]" 1
684 1 28 TRP HB2 1 29 PRO HD2 . . 3.660 2.273 2.124 2.374 . 0 0 "[ . 1 . 2]" 1
685 1 28 TRP HB2 1 29 PRO HD3 . . 3.960 3.685 3.558 3.771 . 0 0 "[ . 1 . 2]" 1
686 1 28 TRP HB2 1 29 PRO QG . . 4.620 3.818 3.722 3.896 . 0 0 "[ . 1 . 2]" 1
687 1 28 TRP HB2 1 80 VAL QG . . 4.640 3.170 2.833 3.412 . 0 0 "[ . 1 . 2]" 1
688 1 28 TRP HB3 1 28 TRP HE3 . . 4.190 2.659 2.599 2.736 . 0 0 "[ . 1 . 2]" 1
689 1 28 TRP HB3 1 29 PRO HD2 . . 4.290 3.332 3.227 3.426 . 0 0 "[ . 1 . 2]" 1
690 1 28 TRP HB3 1 80 VAL QG . . 4.560 2.897 2.588 3.142 . 0 0 "[ . 1 . 2]" 1
691 1 28 TRP HD1 1 29 PRO HD2 . . 4.490 4.356 4.121 4.488 . 0 0 "[ . 1 . 2]" 1
692 1 28 TRP HD1 1 30 GLN HA . . 4.490 4.033 3.900 4.155 . 0 0 "[ . 1 . 2]" 1
693 1 28 TRP HD1 1 41 TYR QE . . 4.260 4.083 3.757 4.261 0.001 19 0 "[ . 1 . 2]" 1
694 1 28 TRP HD1 1 63 ASN HA . . 4.980 4.170 3.930 4.427 . 0 0 "[ . 1 . 2]" 1
695 1 28 TRP HD1 1 63 ASN HB3 . . 4.330 3.961 3.638 4.129 . 0 0 "[ . 1 . 2]" 1
696 1 28 TRP HD1 1 63 ASN HD21 . . 4.850 2.259 1.990 2.543 . 0 0 "[ . 1 . 2]" 1
697 1 28 TRP HD1 1 80 VAL MG1 . . 4.520 3.512 3.315 3.819 . 0 0 "[ . 1 . 2]" 1
698 1 28 TRP HD1 1 80 VAL QG . . 3.970 3.119 2.893 3.296 . 0 0 "[ . 1 . 2]" 1
699 1 28 TRP HD1 1 80 VAL MG2 . . 4.520 3.518 3.189 3.852 . 0 0 "[ . 1 . 2]" 1
700 1 28 TRP HE1 1 41 TYR HB2 . . 4.840 3.635 3.296 3.922 . 0 0 "[ . 1 . 2]" 1
701 1 28 TRP HE1 1 41 TYR HB3 . . 4.710 3.094 2.804 3.432 . 0 0 "[ . 1 . 2]" 1
702 1 28 TRP HE1 1 41 TYR QD . . 3.600 2.641 2.077 3.045 . 0 0 "[ . 1 . 2]" 1
703 1 28 TRP HE1 1 41 TYR QE . . 3.700 3.440 3.016 3.699 . 0 0 "[ . 1 . 2]" 1
704 1 28 TRP HE1 1 63 ASN HA . . 3.680 2.573 2.298 2.715 . 0 0 "[ . 1 . 2]" 1
705 1 28 TRP HE1 1 63 ASN HB2 . . 5.020 4.949 4.610 5.021 0.001 10 0 "[ . 1 . 2]" 1
706 1 28 TRP HE1 1 63 ASN HB3 . . 4.240 4.090 3.765 4.231 . 0 0 "[ . 1 . 2]" 1
707 1 28 TRP HE1 1 80 VAL MG1 . . 4.950 3.998 3.460 4.571 . 0 0 "[ . 1 . 2]" 1
708 1 28 TRP HE1 1 80 VAL QG . . 3.960 2.653 2.392 2.935 . 0 0 "[ . 1 . 2]" 1
709 1 28 TRP HE1 1 80 VAL MG2 . . 4.950 2.695 2.414 2.998 . 0 0 "[ . 1 . 2]" 1
710 1 28 TRP HE3 1 80 VAL QG . . 4.720 3.477 3.333 3.765 . 0 0 "[ . 1 . 2]" 1
711 1 28 TRP HH2 1 41 TYR HB2 . . 4.780 4.349 3.929 4.656 . 0 0 "[ . 1 . 2]" 1
712 1 28 TRP HH2 1 43 ILE HB . . 5.500 5.005 4.677 5.399 . 0 0 "[ . 1 . 2]" 1
713 1 28 TRP HH2 1 43 ILE MD . . 3.270 2.176 1.977 2.444 . 0 0 "[ . 1 . 2]" 1
714 1 28 TRP HH2 1 43 ILE HG12 . . 4.510 2.915 2.546 3.483 . 0 0 "[ . 1 . 2]" 1
715 1 28 TRP HH2 1 43 ILE HG13 . . 5.400 3.805 3.367 4.147 . 0 0 "[ . 1 . 2]" 1
716 1 28 TRP HH2 1 60 SER QB . . 4.020 3.386 3.057 3.636 . 0 0 "[ . 1 . 2]" 1
717 1 28 TRP HH2 1 60 SER HG . . 4.740 4.024 3.146 4.638 . 0 0 "[ . 1 . 2]" 1
718 1 28 TRP HH2 1 63 ASN HA . . 4.830 4.633 4.187 4.828 . 0 0 "[ . 1 . 2]" 1
719 1 28 TRP HH2 1 65 ALA H . . 4.250 3.009 2.569 3.389 . 0 0 "[ . 1 . 2]" 1
720 1 28 TRP HH2 1 65 ALA MB . . 2.960 2.075 1.929 2.301 . 0 0 "[ . 1 . 2]" 1
721 1 28 TRP HH2 1 80 VAL QG . . 4.530 3.469 3.128 3.778 . 0 0 "[ . 1 . 2]" 1
722 1 28 TRP HZ2 1 41 TYR HB2 . . 3.810 2.361 2.026 2.614 . 0 0 "[ . 1 . 2]" 1
723 1 28 TRP HZ2 1 41 TYR HB3 . . 3.930 2.766 2.189 3.136 . 0 0 "[ . 1 . 2]" 1
724 1 28 TRP HZ2 1 41 TYR QD . . 4.610 3.681 3.290 3.967 . 0 0 "[ . 1 . 2]" 1
725 1 28 TRP HZ2 1 43 ILE MD . . 4.240 2.784 2.535 3.163 . 0 0 "[ . 1 . 2]" 1
726 1 28 TRP HZ2 1 43 ILE HG13 . . 5.190 4.339 3.871 4.855 . 0 0 "[ . 1 . 2]" 1
727 1 28 TRP HZ2 1 60 SER QB . . 3.790 3.175 2.765 3.773 . 0 0 "[ . 1 . 2]" 1
728 1 28 TRP HZ2 1 60 SER HG . . 4.590 3.983 2.653 4.597 0.007 1 0 "[ . 1 . 2]" 1
729 1 28 TRP HZ2 1 62 THR H . . 5.380 4.948 4.521 5.289 . 0 0 "[ . 1 . 2]" 1
730 1 28 TRP HZ2 1 63 ASN HA . . 3.360 2.940 2.612 3.117 . 0 0 "[ . 1 . 2]" 1
731 1 28 TRP HZ2 1 63 ASN HB3 . . 5.500 5.207 4.854 5.414 . 0 0 "[ . 1 . 2]" 1
732 1 28 TRP HZ2 1 65 ALA MB . . 4.000 3.746 3.492 3.982 . 0 0 "[ . 1 . 2]" 1
733 1 28 TRP HZ2 1 80 VAL QG . . 3.940 2.723 2.450 3.113 . 0 0 "[ . 1 . 2]" 1
734 1 28 TRP HZ3 1 43 ILE MD . . 4.230 3.982 3.676 4.203 . 0 0 "[ . 1 . 2]" 1
735 1 28 TRP HZ3 1 64 THR HA . . 4.350 3.422 3.039 3.789 . 0 0 "[ . 1 . 2]" 1
736 1 28 TRP HZ3 1 65 ALA H . . 3.770 2.709 2.398 2.982 . 0 0 "[ . 1 . 2]" 1
737 1 28 TRP HZ3 1 65 ALA MB . . 3.570 3.349 3.037 3.569 . 0 0 "[ . 1 . 2]" 1
738 1 28 TRP HZ3 1 78 VAL QG . . 5.310 4.638 4.360 4.951 . 0 0 "[ . 1 . 2]" 1
739 1 29 PRO HA 1 30 GLN H . . 2.830 2.298 2.205 2.535 . 0 0 "[ . 1 . 2]" 1
740 1 29 PRO HA 1 30 GLN HB2 . . 5.040 4.370 4.226 4.515 . 0 0 "[ . 1 . 2]" 1
741 1 29 PRO HA 1 30 GLN QB . . 4.240 4.066 4.021 4.092 . 0 0 "[ . 1 . 2]" 1
742 1 29 PRO HA 1 30 GLN HB3 . . 5.040 4.864 4.676 5.051 0.011 16 0 "[ . 1 . 2]" 1
743 1 29 PRO HA 1 63 ASN HD21 . . 4.140 3.669 3.280 3.888 . 0 0 "[ . 1 . 2]" 1
744 1 29 PRO HA 1 63 ASN HD22 . . 4.950 4.520 4.285 4.716 . 0 0 "[ . 1 . 2]" 1
745 1 29 PRO QB 1 30 GLN H . . 3.410 2.797 2.255 3.054 . 0 0 "[ . 1 . 2]" 1
746 1 29 PRO HB2 1 30 GLN H . . 3.890 2.915 2.296 3.218 . 0 0 "[ . 1 . 2]" 1
747 1 29 PRO HB3 1 30 GLN H . . 3.890 3.622 3.302 3.797 . 0 0 "[ . 1 . 2]" 1
748 1 29 PRO QG 1 30 GLN H . . 4.740 4.350 3.936 4.523 . 0 0 "[ . 1 . 2]" 1
749 1 30 GLN H 1 30 GLN HB2 . . 3.410 2.565 2.388 2.947 . 0 0 "[ . 1 . 2]" 1
750 1 30 GLN H 1 30 GLN QB . . 2.820 2.294 2.245 2.383 . 0 0 "[ . 1 . 2]" 1
751 1 30 GLN H 1 30 GLN HB3 . . 3.410 2.620 2.432 2.759 . 0 0 "[ . 1 . 2]" 1
752 1 30 GLN H 1 30 GLN HG2 . . 4.750 4.476 4.357 4.590 . 0 0 "[ . 1 . 2]" 1
753 1 30 GLN H 1 30 GLN QG . . 4.080 3.992 3.954 4.047 . 0 0 "[ . 1 . 2]" 1
754 1 30 GLN H 1 30 GLN HG3 . . 4.750 4.497 4.338 4.734 . 0 0 "[ . 1 . 2]" 1
755 1 30 GLN H 1 31 PRO HD2 . . 4.820 4.829 4.817 4.841 0.021 2 0 "[ . 1 . 2]" 1
756 1 30 GLN H 1 31 PRO HD3 . . 4.820 4.852 4.785 4.873 0.053 6 0 "[ . 1 . 2]" 1
757 1 30 GLN H 1 63 ASN HD21 . . 4.210 4.002 3.724 4.146 . 0 0 "[ . 1 . 2]" 1
758 1 30 GLN H 1 63 ASN HD22 . . 4.490 3.930 3.788 4.090 . 0 0 "[ . 1 . 2]" 1
759 1 30 GLN HA 1 31 PRO HB3 . . 5.320 4.835 4.831 4.844 . 0 0 "[ . 1 . 2]" 1
760 1 30 GLN HA 1 31 PRO HD2 . . 3.330 2.122 2.066 2.153 . 0 0 "[ . 1 . 2]" 1
761 1 30 GLN HA 1 31 PRO HD3 . . 3.330 2.256 2.252 2.269 . 0 0 "[ . 1 . 2]" 1
762 1 30 GLN HA 1 31 PRO HG3 . . 4.430 4.338 4.323 4.349 . 0 0 "[ . 1 . 2]" 1
763 1 30 GLN HA 1 38 ILE MD . . 4.410 4.221 3.972 4.358 . 0 0 "[ . 1 . 2]" 1
764 1 30 GLN HA 1 41 TYR QE . . 4.520 4.047 3.693 4.384 . 0 0 "[ . 1 . 2]" 1
765 1 30 GLN HA 1 63 ASN HD21 . . 4.400 3.274 3.106 3.422 . 0 0 "[ . 1 . 2]" 1
766 1 30 GLN HA 1 63 ASN HD22 . . 4.820 2.018 1.899 2.197 . 0 0 "[ . 1 . 2]" 1
767 1 30 GLN QB 1 30 GLN QE . . 4.070 3.213 2.154 3.641 . 0 0 "[ . 1 . 2]" 1
768 1 30 GLN HB2 1 30 GLN HE22 . . 5.440 4.552 3.493 5.337 . 0 0 "[ . 1 . 2]" 1
769 1 30 GLN HB3 1 30 GLN HE22 . . 5.440 4.360 3.478 4.734 . 0 0 "[ . 1 . 2]" 1
770 1 30 GLN QG 1 31 PRO QD . . 3.670 1.967 1.902 2.049 . 0 0 "[ . 1 . 2]" 1
771 1 30 GLN QG 1 38 ILE MD . . 3.680 2.853 2.533 3.158 . 0 0 "[ . 1 . 2]" 1
772 1 30 GLN QG 1 63 ASN HD22 . . 4.320 3.246 2.966 3.621 . 0 0 "[ . 1 . 2]" 1
773 1 30 GLN HG2 1 38 ILE MD . . 4.290 3.318 2.846 3.615 . 0 0 "[ . 1 . 2]" 1
774 1 30 GLN HG2 1 63 ASN HD22 . . 4.940 4.364 3.033 4.668 . 0 0 "[ . 1 . 2]" 1
775 1 30 GLN HG3 1 38 ILE MD . . 4.290 3.184 2.666 4.289 . 0 0 "[ . 1 . 2]" 1
776 1 30 GLN HG3 1 63 ASN HD22 . . 4.940 3.454 3.025 4.280 . 0 0 "[ . 1 . 2]" 1
777 1 31 PRO HA 1 32 GLU H . . 2.990 2.375 2.271 2.481 . 0 0 "[ . 1 . 2]" 1
778 1 31 PRO HA 1 32 GLU QB . . 4.340 4.282 4.173 4.356 0.016 15 0 "[ . 1 . 2]" 1
779 1 31 PRO HA 1 33 GLN H . . 4.700 3.922 3.755 4.053 . 0 0 "[ . 1 . 2]" 1
780 1 31 PRO HB2 1 33 GLN H . . 4.460 2.580 2.437 2.712 . 0 0 "[ . 1 . 2]" 1
781 1 31 PRO HB2 1 34 PRO HB2 . . 5.450 5.336 5.089 5.449 . 0 0 "[ . 1 . 2]" 1
782 1 31 PRO HB2 1 34 PRO HB3 . . 4.460 3.718 3.443 3.857 . 0 0 "[ . 1 . 2]" 1
783 1 31 PRO HB2 1 34 PRO QD . . 4.850 2.964 2.802 3.204 . 0 0 "[ . 1 . 2]" 1
784 1 31 PRO HB2 1 38 ILE MD . . 4.450 3.825 3.636 3.976 . 0 0 "[ . 1 . 2]" 1
785 1 31 PRO HB3 1 32 GLU H . . 4.230 3.495 3.360 3.654 . 0 0 "[ . 1 . 2]" 1
786 1 31 PRO HB3 1 33 GLN H . . 4.340 3.994 3.896 4.059 . 0 0 "[ . 1 . 2]" 1
787 1 31 PRO HB3 1 38 ILE MD . . 4.730 4.292 4.083 4.471 . 0 0 "[ . 1 . 2]" 1
788 1 31 PRO HB3 1 82 ALA MB . . 4.700 4.378 4.180 4.590 . 0 0 "[ . 1 . 2]" 1
789 1 31 PRO QD 1 38 ILE MD . . 3.170 2.539 2.313 2.647 . 0 0 "[ . 1 . 2]" 1
790 1 31 PRO QD 1 41 TYR QE . . 3.480 2.875 2.712 3.035 . 0 0 "[ . 1 . 2]" 1
791 1 31 PRO HD2 1 38 ILE MD . . 3.770 2.607 2.368 2.720 . 0 0 "[ . 1 . 2]" 1
792 1 31 PRO HD2 1 41 TYR QE . . 4.020 3.221 2.979 3.493 . 0 0 "[ . 1 . 2]" 1
793 1 31 PRO HD2 1 82 ALA MB . . 4.540 4.501 4.318 4.542 0.002 10 0 "[ . 1 . 2]" 1
794 1 31 PRO HD3 1 38 ILE MD . . 3.770 3.507 3.252 3.654 . 0 0 "[ . 1 . 2]" 1
795 1 31 PRO HD3 1 41 TYR QE . . 4.020 3.245 3.034 3.409 . 0 0 "[ . 1 . 2]" 1
796 1 31 PRO HD3 1 82 ALA MB . . 4.540 4.197 4.013 4.282 . 0 0 "[ . 1 . 2]" 1
797 1 31 PRO HG2 1 38 ILE HB . . 5.500 5.346 5.137 5.497 . 0 0 "[ . 1 . 2]" 1
798 1 31 PRO HG2 1 38 ILE MD . . 3.330 1.998 1.823 2.130 . 0 0 "[ . 1 . 2]" 1
799 1 31 PRO HG2 1 38 ILE MG . . 5.500 4.683 4.384 4.970 . 0 0 "[ . 1 . 2]" 1
800 1 31 PRO HG2 1 41 TYR QE . . 4.330 4.239 4.054 4.333 0.003 1 0 "[ . 1 . 2]" 1
801 1 31 PRO HG2 1 82 ALA MB . . 3.920 3.858 3.688 3.922 0.002 7 0 "[ . 1 . 2]" 1
802 1 31 PRO HG3 1 38 ILE MD . . 3.420 2.486 2.228 2.708 . 0 0 "[ . 1 . 2]" 1
803 1 31 PRO HG3 1 41 TYR QE . . 4.170 3.528 3.261 3.793 . 0 0 "[ . 1 . 2]" 1
804 1 31 PRO HG3 1 82 ALA MB . . 3.760 2.852 2.680 2.977 . 0 0 "[ . 1 . 2]" 1
805 1 32 GLU H 1 32 GLU HB2 . . 3.790 3.177 2.411 3.783 . 0 0 "[ . 1 . 2]" 1
806 1 32 GLU H 1 32 GLU QB . . 3.300 2.689 2.378 3.023 . 0 0 "[ . 1 . 2]" 1
807 1 32 GLU H 1 32 GLU HB3 . . 3.790 3.304 2.853 3.738 . 0 0 "[ . 1 . 2]" 1
808 1 32 GLU H 1 32 GLU HG2 . . 4.320 2.854 1.911 4.289 . 0 0 "[ . 1 . 2]" 1
809 1 32 GLU H 1 32 GLU QG . . 3.590 2.549 1.896 3.593 0.003 12 0 "[ . 1 . 2]" 1
810 1 32 GLU H 1 32 GLU HG3 . . 4.320 3.376 2.782 4.265 . 0 0 "[ . 1 . 2]" 1
811 1 32 GLU H 1 33 GLN H . . 3.510 1.967 1.805 2.192 . 0 0 "[ . 1 . 2]" 1
812 1 32 GLU H 1 34 PRO QD . . 4.620 3.439 3.234 3.716 . 0 0 "[ . 1 . 2]" 1
813 1 32 GLU HA 1 32 GLU HG2 . . 3.890 3.273 2.328 3.825 . 0 0 "[ . 1 . 2]" 1
814 1 32 GLU HA 1 32 GLU QG . . 3.410 2.951 2.265 3.339 . 0 0 "[ . 1 . 2]" 1
815 1 32 GLU HA 1 32 GLU HG3 . . 3.890 3.519 2.439 3.885 . 0 0 "[ . 1 . 2]" 1
816 1 32 GLU HA 1 34 PRO HD2 . . 4.370 3.588 3.401 3.871 . 0 0 "[ . 1 . 2]" 1
817 1 32 GLU HA 1 34 PRO HD3 . . 4.370 2.885 2.773 2.992 . 0 0 "[ . 1 . 2]" 1
818 1 32 GLU QB 1 33 GLN H . . 4.010 3.498 3.062 3.867 . 0 0 "[ . 1 . 2]" 1
819 1 32 GLU HB2 1 33 GLN H . . 4.630 3.799 3.199 4.346 . 0 0 "[ . 1 . 2]" 1
820 1 32 GLU HB3 1 33 GLN H . . 4.630 4.158 3.908 4.370 . 0 0 "[ . 1 . 2]" 1
821 1 32 GLU QG 1 33 GLN H . . 5.340 3.524 2.559 4.728 . 0 0 "[ . 1 . 2]" 1
822 1 33 GLN H 1 33 GLN HB2 . . 3.920 2.491 2.424 2.545 . 0 0 "[ . 1 . 2]" 1
823 1 33 GLN H 1 33 GLN HB3 . . 3.710 3.658 3.569 3.722 0.012 12 0 "[ . 1 . 2]" 1
824 1 33 GLN H 1 33 GLN HG2 . . 4.640 3.952 3.140 4.630 . 0 0 "[ . 1 . 2]" 1
825 1 33 GLN H 1 33 GLN HG3 . . 4.640 3.776 3.128 4.483 . 0 0 "[ . 1 . 2]" 1
826 1 33 GLN H 1 34 PRO HD2 . . 4.390 3.424 3.255 3.646 . 0 0 "[ . 1 . 2]" 1
827 1 33 GLN H 1 34 PRO HD3 . . 4.390 2.538 2.329 2.798 . 0 0 "[ . 1 . 2]" 1
828 1 33 GLN HB3 1 33 GLN QE . . 4.490 3.502 2.574 4.093 . 0 0 "[ . 1 . 2]" 1
829 1 33 GLN HB3 1 35 ASN H . . 5.280 3.874 3.711 4.221 . 0 0 "[ . 1 . 2]" 1
830 1 33 GLN HB3 1 35 ASN HD22 . . 4.380 2.871 2.577 3.188 . 0 0 "[ . 1 . 2]" 1
831 1 33 GLN QG 1 35 ASN HD21 . . 5.340 4.781 4.296 5.261 . 0 0 "[ . 1 . 2]" 1
832 1 34 PRO HA 1 35 ASN HB2 . . 4.930 4.181 4.112 4.230 . 0 0 "[ . 1 . 2]" 1
833 1 34 PRO HA 1 36 GLY H . . 5.100 4.422 4.154 4.726 . 0 0 "[ . 1 . 2]" 1
834 1 34 PRO HA 1 38 ILE MD . . 4.100 3.666 3.162 4.072 . 0 0 "[ . 1 . 2]" 1
835 1 34 PRO HA 1 38 ILE HG12 . . 5.110 4.128 3.634 4.569 . 0 0 "[ . 1 . 2]" 1
836 1 34 PRO HA 1 38 ILE HG13 . . 5.500 4.405 4.146 4.763 . 0 0 "[ . 1 . 2]" 1
837 1 34 PRO HA 1 84 THR MG . . 4.420 3.703 3.236 3.981 . 0 0 "[ . 1 . 2]" 1
838 1 34 PRO HB2 1 35 ASN H . . 4.110 3.931 3.700 3.976 . 0 0 "[ . 1 . 2]" 1
839 1 34 PRO HB2 1 35 ASN HD21 . . 5.500 5.259 4.978 5.496 . 0 0 "[ . 1 . 2]" 1
840 1 34 PRO HB2 1 36 GLY H . . 3.720 3.092 2.787 3.340 . 0 0 "[ . 1 . 2]" 1
841 1 34 PRO HB2 1 36 GLY HA3 . . 4.830 4.669 4.560 4.789 . 0 0 "[ . 1 . 2]" 1
842 1 34 PRO HB2 1 38 ILE MD . . 3.480 3.109 2.862 3.227 . 0 0 "[ . 1 . 2]" 1
843 1 34 PRO HB2 1 38 ILE HG12 . . 4.130 3.011 2.621 3.258 . 0 0 "[ . 1 . 2]" 1
844 1 34 PRO HB2 1 38 ILE HG13 . . 4.260 2.350 2.148 2.589 . 0 0 "[ . 1 . 2]" 1
845 1 34 PRO HB2 1 84 THR MG . . 3.560 2.877 2.435 3.157 . 0 0 "[ . 1 . 2]" 1
846 1 34 PRO HB3 1 36 GLY H . . 5.190 4.551 4.308 4.774 . 0 0 "[ . 1 . 2]" 1
847 1 34 PRO HB3 1 38 ILE H . . 5.500 4.711 4.211 5.429 . 0 0 "[ . 1 . 2]" 1
848 1 34 PRO HB3 1 38 ILE HB . . 5.500 4.765 4.576 5.035 . 0 0 "[ . 1 . 2]" 1
849 1 34 PRO HB3 1 38 ILE MD . . 3.590 2.082 1.965 2.272 . 0 0 "[ . 1 . 2]" 1
850 1 34 PRO HB3 1 38 ILE HG12 . . 4.370 2.935 2.544 3.173 . 0 0 "[ . 1 . 2]" 1
851 1 34 PRO HB3 1 38 ILE HG13 . . 4.070 2.567 2.332 2.914 . 0 0 "[ . 1 . 2]" 1
852 1 34 PRO HB3 1 38 ILE MG . . 5.500 4.521 4.206 4.706 . 0 0 "[ . 1 . 2]" 1
853 1 34 PRO HB3 1 84 THR MG . . 4.380 3.864 3.451 4.195 . 0 0 "[ . 1 . 2]" 1
854 1 34 PRO QD 1 35 ASN H . . 3.700 2.913 2.711 2.962 . 0 0 "[ . 1 . 2]" 1
855 1 34 PRO QD 1 38 ILE MD . . 4.770 3.831 3.547 4.113 . 0 0 "[ . 1 . 2]" 1
856 1 34 PRO HD2 1 35 ASN H . . 4.410 2.989 2.765 3.044 . 0 0 "[ . 1 . 2]" 1
857 1 34 PRO HD3 1 35 ASN H . . 4.410 4.023 3.905 4.052 . 0 0 "[ . 1 . 2]" 1
858 1 34 PRO HG2 1 35 ASN H . . 4.110 3.286 2.883 3.370 . 0 0 "[ . 1 . 2]" 1
859 1 34 PRO HG2 1 36 GLY H . . 3.980 2.528 2.453 2.613 . 0 0 "[ . 1 . 2]" 1
860 1 34 PRO HG2 1 38 ILE MD . . 4.470 4.172 3.589 4.466 . 0 0 "[ . 1 . 2]" 1
861 1 34 PRO HG2 1 38 ILE HG13 . . 4.540 3.995 3.819 4.167 . 0 0 "[ . 1 . 2]" 1
862 1 34 PRO HG2 1 84 THR MG . . 4.880 4.632 4.171 4.812 . 0 0 "[ . 1 . 2]" 1
863 1 34 PRO HG3 1 35 ASN H . . 4.820 4.571 4.266 4.635 . 0 0 "[ . 1 . 2]" 1
864 1 34 PRO HG3 1 36 GLY H . . 4.330 4.226 4.152 4.321 . 0 0 "[ . 1 . 2]" 1
865 1 34 PRO HG3 1 38 ILE H . . 5.500 4.705 4.294 5.184 . 0 0 "[ . 1 . 2]" 1
866 1 34 PRO HG3 1 38 ILE HB . . 5.500 5.353 5.123 5.507 0.007 1 0 "[ . 1 . 2]" 1
867 1 34 PRO HG3 1 38 ILE MD . . 3.960 3.016 2.301 3.560 . 0 0 "[ . 1 . 2]" 1
868 1 34 PRO HG3 1 38 ILE HG12 . . 5.230 4.658 4.324 4.931 . 0 0 "[ . 1 . 2]" 1
869 1 34 PRO HG3 1 84 THR MG . . 5.500 5.107 4.669 5.373 . 0 0 "[ . 1 . 2]" 1
870 1 35 ASN H 1 35 ASN HB2 . . 4.160 3.352 3.279 3.452 . 0 0 "[ . 1 . 2]" 1
871 1 35 ASN H 1 36 GLY H . . 3.800 2.809 2.741 2.886 . 0 0 "[ . 1 . 2]" 1
872 1 35 ASN HA 1 36 GLY H . . 3.430 2.915 2.825 2.990 . 0 0 "[ . 1 . 2]" 1
873 1 35 ASN HB2 1 35 ASN HD21 . . 3.460 2.558 2.413 2.681 . 0 0 "[ . 1 . 2]" 1
874 1 35 ASN HB2 1 35 ASN HD22 . . 3.770 3.614 3.552 3.667 . 0 0 "[ . 1 . 2]" 1
875 1 35 ASN HB3 1 36 GLY H . . 4.880 4.397 4.376 4.426 . 0 0 "[ . 1 . 2]" 1
876 1 36 GLY H 1 37 ILE H . . 4.500 4.291 4.112 4.442 . 0 0 "[ . 1 . 2]" 1
877 1 36 GLY H 1 37 ILE HA . . 5.500 4.847 4.769 4.988 . 0 0 "[ . 1 . 2]" 1
878 1 36 GLY H 1 84 THR MG . . 4.870 3.942 3.546 4.399 . 0 0 "[ . 1 . 2]" 1
879 1 36 GLY HA2 1 37 ILE H . . 3.190 2.550 2.223 3.064 . 0 0 "[ . 1 . 2]" 1
880 1 36 GLY HA2 1 37 ILE HA . . 4.810 4.333 4.287 4.453 . 0 0 "[ . 1 . 2]" 1
881 1 36 GLY HA2 1 37 ILE HB . . 5.490 4.975 4.654 5.232 . 0 0 "[ . 1 . 2]" 1
882 1 36 GLY HA2 1 37 ILE MD . . 5.240 4.447 2.945 5.135 . 0 0 "[ . 1 . 2]" 1
883 1 36 GLY HA2 1 37 ILE QG . . 4.450 3.800 3.427 4.168 . 0 0 "[ . 1 . 2]" 1
884 1 36 GLY HA2 1 84 THR MG . . 5.190 4.673 4.332 5.134 . 0 0 "[ . 1 . 2]" 1
885 1 36 GLY HA3 1 37 ILE H . . 3.110 2.627 2.183 2.989 . 0 0 "[ . 1 . 2]" 1
886 1 36 GLY HA3 1 37 ILE HB . . 5.060 4.874 4.656 5.064 0.004 13 0 "[ . 1 . 2]" 1
887 1 36 GLY HA3 1 84 THR MG . . 3.970 3.528 3.131 3.946 . 0 0 "[ . 1 . 2]" 1
888 1 36 GLY HA3 1 85 VAL H . . 5.500 4.760 3.995 5.217 . 0 0 "[ . 1 . 2]" 1
889 1 37 ILE H 1 37 ILE HB . . 3.110 2.555 2.392 2.636 . 0 0 "[ . 1 . 2]" 1
890 1 37 ILE H 1 37 ILE MD . . 3.610 3.121 2.173 3.521 . 0 0 "[ . 1 . 2]" 1
891 1 37 ILE H 1 37 ILE HG12 . . 4.150 3.264 2.186 4.132 . 0 0 "[ . 1 . 2]" 1
892 1 37 ILE H 1 37 ILE QG . . 3.350 2.329 1.900 3.222 . 0 0 "[ . 1 . 2]" 1
893 1 37 ILE H 1 37 ILE HG13 . . 4.150 2.863 1.914 4.159 0.009 16 0 "[ . 1 . 2]" 1
894 1 37 ILE H 1 37 ILE MG . . 3.870 3.782 3.732 3.848 . 0 0 "[ . 1 . 2]" 1
895 1 37 ILE H 1 38 ILE H . . 4.600 4.455 4.276 4.624 0.024 18 0 "[ . 1 . 2]" 1
896 1 37 ILE H 1 84 THR HB . . 5.060 4.297 3.080 4.973 . 0 0 "[ . 1 . 2]" 1
897 1 37 ILE H 1 84 THR MG . . 4.580 4.310 3.590 4.581 0.001 14 0 "[ . 1 . 2]" 1
898 1 37 ILE H 1 85 VAL QG . . 4.770 4.229 3.130 4.773 0.003 12 0 "[ . 1 . 2]" 1
899 1 37 ILE HA 1 37 ILE MD . . 3.990 3.177 1.902 3.904 . 0 0 "[ . 1 . 2]" 1
900 1 37 ILE HA 1 37 ILE HG12 . . 3.600 2.937 2.600 3.552 . 0 0 "[ . 1 . 2]" 1
901 1 37 ILE HA 1 37 ILE HG13 . . 3.600 3.029 2.367 3.626 0.026 16 0 "[ . 1 . 2]" 1
902 1 37 ILE HA 1 37 ILE MG . . 3.070 2.415 2.273 2.510 . 0 0 "[ . 1 . 2]" 1
903 1 37 ILE HA 1 38 ILE H . . 2.840 2.170 2.140 2.235 . 0 0 "[ . 1 . 2]" 1
904 1 37 ILE HA 1 38 ILE HA . . 5.190 4.393 4.363 4.443 . 0 0 "[ . 1 . 2]" 1
905 1 37 ILE HA 1 38 ILE HB . . 4.700 4.594 4.501 4.662 . 0 0 "[ . 1 . 2]" 1
906 1 37 ILE HA 1 38 ILE HG12 . . 5.330 5.237 5.091 5.324 . 0 0 "[ . 1 . 2]" 1
907 1 37 ILE HA 1 38 ILE HG13 . . 5.500 3.817 3.610 4.089 . 0 0 "[ . 1 . 2]" 1
908 1 37 ILE HA 1 38 ILE MG . . 5.500 5.466 5.452 5.481 . 0 0 "[ . 1 . 2]" 1
909 1 37 ILE HA 1 84 THR MG . . 5.500 4.480 4.263 4.670 . 0 0 "[ . 1 . 2]" 1
910 1 37 ILE HB 1 37 ILE MD . . 3.310 2.580 2.110 3.222 . 0 0 "[ . 1 . 2]" 1
911 1 37 ILE HB 1 38 ILE H . . 4.500 4.229 4.022 4.409 . 0 0 "[ . 1 . 2]" 1
912 1 37 ILE QG 1 37 ILE MG . . 3.150 2.118 2.011 2.215 . 0 0 "[ . 1 . 2]" 1
913 1 37 ILE QG 1 38 ILE H . . 4.480 4.317 4.106 4.478 . 0 0 "[ . 1 . 2]" 1
914 1 37 ILE HG12 1 38 ILE H . . 5.100 4.847 4.551 5.104 0.004 10 0 "[ . 1 . 2]" 1
915 1 37 ILE HG13 1 38 ILE H . . 5.100 4.863 4.333 5.104 0.004 20 0 "[ . 1 . 2]" 1
916 1 37 ILE MG 1 38 ILE H . . 3.470 2.585 1.918 3.156 . 0 0 "[ . 1 . 2]" 1
917 1 37 ILE MG 1 38 ILE HA . . 4.270 3.982 3.592 4.250 . 0 0 "[ . 1 . 2]" 1
918 1 37 ILE MG 1 39 LEU HA . . 4.110 3.568 3.203 3.872 . 0 0 "[ . 1 . 2]" 1
919 1 38 ILE H 1 38 ILE HB . . 3.120 2.504 2.412 2.623 . 0 0 "[ . 1 . 2]" 1
920 1 38 ILE H 1 38 ILE MD . . 3.920 3.609 3.364 3.863 . 0 0 "[ . 1 . 2]" 1
921 1 38 ILE H 1 38 ILE HG12 . . 4.040 3.613 3.198 4.005 . 0 0 "[ . 1 . 2]" 1
922 1 38 ILE H 1 38 ILE HG13 . . 3.630 2.334 1.919 2.775 . 0 0 "[ . 1 . 2]" 1
923 1 38 ILE H 1 38 ILE MG . . 3.970 3.766 3.739 3.802 . 0 0 "[ . 1 . 2]" 1
924 1 38 ILE H 1 84 THR MG . . 4.590 3.875 3.524 4.349 . 0 0 "[ . 1 . 2]" 1
925 1 38 ILE HA 1 38 ILE MD . . 4.530 3.836 3.757 3.890 . 0 0 "[ . 1 . 2]" 1
926 1 38 ILE HA 1 38 ILE HG12 . . 4.030 2.570 2.394 2.809 . 0 0 "[ . 1 . 2]" 1
927 1 38 ILE HA 1 38 ILE HG13 . . 3.670 2.922 2.716 3.086 . 0 0 "[ . 1 . 2]" 1
928 1 38 ILE HA 1 38 ILE MG . . 3.220 2.370 2.265 2.468 . 0 0 "[ . 1 . 2]" 1
929 1 38 ILE HA 1 39 LEU H . . 3.060 2.163 2.141 2.204 . 0 0 "[ . 1 . 2]" 1
930 1 38 ILE HA 1 39 LEU QB . . 4.800 4.451 4.328 4.538 . 0 0 "[ . 1 . 2]" 1
931 1 38 ILE HA 1 39 LEU HG . . 4.560 3.851 3.559 4.124 . 0 0 "[ . 1 . 2]" 1
932 1 38 ILE HA 1 40 ASP H . . 4.330 4.243 4.083 4.333 0.003 1 0 "[ . 1 . 2]" 1
933 1 38 ILE HA 1 82 ALA MB . . 5.260 4.695 4.276 5.044 . 0 0 "[ . 1 . 2]" 1
934 1 38 ILE HA 1 84 THR HA . . 3.880 3.089 2.408 3.443 . 0 0 "[ . 1 . 2]" 1
935 1 38 ILE HA 1 84 THR MG . . 3.100 2.109 1.970 2.458 . 0 0 "[ . 1 . 2]" 1
936 1 38 ILE HB 1 38 ILE MD . . 3.260 2.347 2.118 2.494 . 0 0 "[ . 1 . 2]" 1
937 1 38 ILE HB 1 39 LEU H . . 4.720 4.383 4.146 4.502 . 0 0 "[ . 1 . 2]" 1
938 1 38 ILE MD 1 38 ILE MG . . 2.960 2.075 1.908 2.399 . 0 0 "[ . 1 . 2]" 1
939 1 38 ILE MD 1 39 LEU H . . 5.500 5.357 5.116 5.503 0.003 5 0 "[ . 1 . 2]" 1
940 1 38 ILE MD 1 41 TYR QE . . 3.960 2.569 2.036 3.090 . 0 0 "[ . 1 . 2]" 1
941 1 38 ILE MD 1 82 ALA MB . . 3.240 2.562 1.924 3.114 . 0 0 "[ . 1 . 2]" 1
942 1 38 ILE HG12 1 38 ILE MG . . 3.680 2.327 2.186 2.493 . 0 0 "[ . 1 . 2]" 1
943 1 38 ILE HG12 1 82 ALA MB . . 3.730 3.022 2.814 3.344 . 0 0 "[ . 1 . 2]" 1
944 1 38 ILE HG12 1 83 ARG H . . 5.150 4.378 3.979 4.823 . 0 0 "[ . 1 . 2]" 1
945 1 38 ILE HG13 1 38 ILE MG . . 3.500 3.185 3.153 3.203 . 0 0 "[ . 1 . 2]" 1
946 1 38 ILE MG 1 39 LEU H . . 3.580 2.939 2.618 3.255 . 0 0 "[ . 1 . 2]" 1
947 1 38 ILE MG 1 39 LEU HA . . 4.440 4.233 3.974 4.422 . 0 0 "[ . 1 . 2]" 1
948 1 38 ILE MG 1 39 LEU QB . . 4.930 4.048 3.876 4.271 . 0 0 "[ . 1 . 2]" 1
949 1 38 ILE MG 1 39 LEU MD1 . . 5.310 4.947 4.711 5.180 . 0 0 "[ . 1 . 2]" 1
950 1 38 ILE MG 1 40 ASP H . . 3.480 2.852 2.509 3.223 . 0 0 "[ . 1 . 2]" 1
951 1 38 ILE MG 1 40 ASP HA . . 4.150 3.390 3.214 3.611 . 0 0 "[ . 1 . 2]" 1
952 1 38 ILE MG 1 41 TYR QE . . 3.770 2.625 2.397 2.814 . 0 0 "[ . 1 . 2]" 1
953 1 38 ILE MG 1 82 ALA MB . . 3.220 2.899 2.610 3.201 . 0 0 "[ . 1 . 2]" 1
954 1 38 ILE MG 1 83 ARG H . . 3.850 2.786 2.347 3.152 . 0 0 "[ . 1 . 2]" 1
955 1 38 ILE MG 1 83 ARG HB3 . . 4.500 4.081 3.450 4.364 . 0 0 "[ . 1 . 2]" 1
956 1 38 ILE MG 1 84 THR MG . . 3.940 3.279 2.865 3.655 . 0 0 "[ . 1 . 2]" 1
957 1 39 LEU H 1 39 LEU QB . . 3.420 2.543 2.442 2.590 . 0 0 "[ . 1 . 2]" 1
958 1 39 LEU H 1 39 LEU MD1 . . 4.080 3.232 3.130 3.461 . 0 0 "[ . 1 . 2]" 1
959 1 39 LEU H 1 39 LEU MD2 . . 3.880 3.479 3.351 3.632 . 0 0 "[ . 1 . 2]" 1
960 1 39 LEU H 1 39 LEU HG . . 3.450 2.056 1.937 2.261 . 0 0 "[ . 1 . 2]" 1
961 1 39 LEU H 1 40 ASP H . . 3.220 2.885 2.519 3.121 . 0 0 "[ . 1 . 2]" 1
962 1 39 LEU H 1 84 THR MG . . 3.910 3.329 3.005 3.671 . 0 0 "[ . 1 . 2]" 1
963 1 39 LEU HA 1 39 LEU MD1 . . 4.010 3.954 3.900 3.987 . 0 0 "[ . 1 . 2]" 1
964 1 39 LEU HA 1 39 LEU MD2 . . 2.750 2.430 2.025 2.619 . 0 0 "[ . 1 . 2]" 1
965 1 39 LEU HA 1 39 LEU HG . . 3.610 2.971 2.889 3.056 . 0 0 "[ . 1 . 2]" 1
966 1 39 LEU QB 1 39 LEU MD1 . . 3.130 2.015 1.938 2.085 . 0 0 "[ . 1 . 2]" 1
967 1 39 LEU QB 1 39 LEU MD2 . . 2.980 2.125 2.017 2.288 . 0 0 "[ . 1 . 2]" 1
968 1 39 LEU QB 1 40 ASP H . . 3.230 2.113 2.001 2.283 . 0 0 "[ . 1 . 2]" 1
969 1 39 LEU QB 1 40 ASP QB . . 4.790 3.615 3.200 3.892 . 0 0 "[ . 1 . 2]" 1
970 1 39 LEU QB 1 83 ARG HB3 . . 4.520 3.694 3.151 4.005 . 0 0 "[ . 1 . 2]" 1
971 1 39 LEU QB 1 83 ARG HE . . 4.810 3.612 1.932 4.712 . 0 0 "[ . 1 . 2]" 1
972 1 39 LEU QB 1 83 ARG HG2 . . 4.700 4.040 3.431 4.691 . 0 0 "[ . 1 . 2]" 1
973 1 39 LEU MD1 1 40 ASP H . . 4.440 3.800 3.654 4.047 . 0 0 "[ . 1 . 2]" 1
974 1 39 LEU MD1 1 83 ARG HG2 . . 4.510 2.951 2.316 3.604 . 0 0 "[ . 1 . 2]" 1
975 1 39 LEU MD1 1 83 ARG HG3 . . 4.890 4.302 3.829 4.788 . 0 0 "[ . 1 . 2]" 1
976 1 39 LEU MD1 1 84 THR HB . . 4.790 4.453 4.111 4.787 . 0 0 "[ . 1 . 2]" 1
977 1 39 LEU MD1 1 85 VAL H . . 3.950 3.088 2.664 3.565 . 0 0 "[ . 1 . 2]" 1
978 1 39 LEU MD1 1 85 VAL HA . . 3.270 2.641 1.981 3.067 . 0 0 "[ . 1 . 2]" 1
979 1 39 LEU MD1 1 85 VAL HB . . 4.250 3.703 3.174 4.082 . 0 0 "[ . 1 . 2]" 1
980 1 39 LEU MD2 1 40 ASP H . . 4.760 4.623 4.557 4.710 . 0 0 "[ . 1 . 2]" 1
981 1 39 LEU MD2 1 85 VAL H . . 4.690 3.959 3.155 4.356 . 0 0 "[ . 1 . 2]" 1
982 1 39 LEU MD2 1 85 VAL HA . . 4.640 4.016 3.159 4.488 . 0 0 "[ . 1 . 2]" 1
983 1 39 LEU MD2 1 85 VAL HB . . 4.570 3.759 3.350 4.485 . 0 0 "[ . 1 . 2]" 1
984 1 39 LEU HG 1 40 ASP H . . 4.330 4.125 3.981 4.256 . 0 0 "[ . 1 . 2]" 1
985 1 39 LEU HG 1 83 ARG HG2 . . 5.500 4.906 4.381 5.489 . 0 0 "[ . 1 . 2]" 1
986 1 39 LEU HG 1 84 THR MG . . 4.840 4.280 3.727 4.739 . 0 0 "[ . 1 . 2]" 1
987 1 39 LEU HG 1 85 VAL H . . 4.250 3.431 2.598 3.931 . 0 0 "[ . 1 . 2]" 1
988 1 39 LEU HG 1 85 VAL HA . . 4.790 4.475 3.792 4.773 . 0 0 "[ . 1 . 2]" 1
989 1 39 LEU HG 1 85 VAL QG . . 5.440 4.393 2.581 4.901 . 0 0 "[ . 1 . 2]" 1
990 1 40 ASP H 1 83 ARG H . . 4.160 3.929 3.629 4.154 . 0 0 "[ . 1 . 2]" 1
991 1 40 ASP H 1 83 ARG HB2 . . 5.060 4.857 4.340 5.060 . 0 0 "[ . 1 . 2]" 1
992 1 40 ASP H 1 83 ARG HB3 . . 4.070 3.151 2.610 3.378 . 0 0 "[ . 1 . 2]" 1
993 1 40 ASP HA 1 41 TYR H . . 3.250 2.546 2.406 2.642 . 0 0 "[ . 1 . 2]" 1
994 1 40 ASP HA 1 61 GLN HA . . 3.440 3.257 2.947 3.438 . 0 0 "[ . 1 . 2]" 1
995 1 40 ASP HA 1 61 GLN QG . . 4.880 4.633 4.386 4.856 . 0 0 "[ . 1 . 2]" 1
996 1 40 ASP QB 1 41 TYR H . . 2.970 2.195 1.929 2.994 0.024 19 0 "[ . 1 . 2]" 1
997 1 40 ASP QB 1 60 SER H . . 3.920 3.079 2.825 3.968 0.048 19 0 "[ . 1 . 2]" 1
998 1 40 ASP QB 1 61 GLN HA . . 3.690 3.171 2.826 3.692 0.002 19 0 "[ . 1 . 2]" 1
999 1 40 ASP QB 1 61 GLN QG . . 3.970 3.586 3.119 3.942 . 0 0 "[ . 1 . 2]" 1
1000 1 40 ASP HB2 1 41 TYR H . . 3.650 2.934 1.941 3.719 0.069 19 0 "[ . 1 . 2]" 1
1001 1 40 ASP HB2 1 60 SER H . . 4.700 3.927 2.944 4.706 0.006 19 0 "[ . 1 . 2]" 1
1002 1 40 ASP HB3 1 41 TYR H . . 3.650 2.631 2.036 3.571 . 0 0 "[ . 1 . 2]" 1
1003 1 40 ASP HB3 1 60 SER H . . 4.700 3.608 2.885 4.690 . 0 0 "[ . 1 . 2]" 1
1004 1 41 TYR H 1 41 TYR HB2 . . 3.650 2.656 2.414 2.747 . 0 0 "[ . 1 . 2]" 1
1005 1 41 TYR H 1 41 TYR HB3 . . 4.120 3.776 3.642 3.822 . 0 0 "[ . 1 . 2]" 1
1006 1 41 TYR H 1 41 TYR QD . . 4.280 2.584 2.169 2.850 . 0 0 "[ . 1 . 2]" 1
1007 1 41 TYR H 1 41 TYR QE . . 4.910 4.654 4.389 4.917 0.007 1 0 "[ . 1 . 2]" 1
1008 1 41 TYR H 1 59 ARG HA . . 4.820 4.666 4.420 4.821 0.001 1 0 "[ . 1 . 2]" 1
1009 1 41 TYR H 1 60 SER QB . . 4.760 3.438 2.926 4.152 . 0 0 "[ . 1 . 2]" 1
1010 1 41 TYR H 1 61 GLN HA . . 4.150 3.920 3.717 4.079 . 0 0 "[ . 1 . 2]" 1
1011 1 41 TYR H 1 61 GLN QG . . 5.430 5.216 5.030 5.400 . 0 0 "[ . 1 . 2]" 1
1012 1 41 TYR HA 1 41 TYR QE . . 4.820 4.732 4.558 4.821 0.001 10 0 "[ . 1 . 2]" 1
1013 1 41 TYR HA 1 42 GLU H . . 3.070 2.150 2.138 2.184 . 0 0 "[ . 1 . 2]" 1
1014 1 41 TYR HA 1 80 VAL QG . . 4.450 3.904 3.479 4.251 . 0 0 "[ . 1 . 2]" 1
1015 1 41 TYR HA 1 81 ARG H . . 4.740 4.406 4.040 4.546 . 0 0 "[ . 1 . 2]" 1
1016 1 41 TYR HA 1 82 ALA MB . . 4.980 4.772 4.506 4.954 . 0 0 "[ . 1 . 2]" 1
1017 1 41 TYR HA 1 83 ARG H . . 4.030 3.506 3.121 4.020 . 0 0 "[ . 1 . 2]" 1
1018 1 41 TYR HB2 1 42 GLU H . . 4.430 4.202 4.069 4.397 . 0 0 "[ . 1 . 2]" 1
1019 1 41 TYR HB2 1 43 ILE MD . . 4.090 3.056 2.799 3.496 . 0 0 "[ . 1 . 2]" 1
1020 1 41 TYR HB2 1 60 SER H . . 4.250 3.957 3.396 4.255 0.005 19 0 "[ . 1 . 2]" 1
1021 1 41 TYR HB2 1 60 SER QB . . 4.010 2.666 2.102 3.375 . 0 0 "[ . 1 . 2]" 1
1022 1 41 TYR HB2 1 80 VAL QG . . 3.900 3.460 3.107 3.887 . 0 0 "[ . 1 . 2]" 1
1023 1 41 TYR HB3 1 42 GLU H . . 3.770 3.349 3.088 3.522 . 0 0 "[ . 1 . 2]" 1
1024 1 41 TYR HB3 1 43 ILE MD . . 4.310 3.105 2.834 3.507 . 0 0 "[ . 1 . 2]" 1
1025 1 41 TYR HB3 1 60 SER QB . . 4.450 4.101 3.612 4.465 0.015 1 0 "[ . 1 . 2]" 1
1026 1 41 TYR HB3 1 80 VAL QG . . 3.470 2.392 2.110 2.700 . 0 0 "[ . 1 . 2]" 1
1027 1 41 TYR HB3 1 81 ARG H . . 4.790 3.880 3.392 4.195 . 0 0 "[ . 1 . 2]" 1
1028 1 41 TYR QD 1 63 ASN HA . . 5.500 3.741 3.276 3.996 . 0 0 "[ . 1 . 2]" 1
1029 1 41 TYR QD 1 80 VAL QG . . 4.520 2.907 2.602 3.064 . 0 0 "[ . 1 . 2]" 1
1030 1 41 TYR QD 1 82 ALA MB . . 4.060 3.481 3.146 3.713 . 0 0 "[ . 1 . 2]" 1
1031 1 41 TYR QE 1 62 THR HA . . 4.310 3.450 2.870 3.917 . 0 0 "[ . 1 . 2]" 1
1032 1 41 TYR QE 1 63 ASN H . . 4.730 4.307 3.669 4.614 . 0 0 "[ . 1 . 2]" 1
1033 1 41 TYR QE 1 63 ASN HA . . 4.760 4.058 3.587 4.352 . 0 0 "[ . 1 . 2]" 1
1034 1 41 TYR QE 1 63 ASN HB3 . . 5.500 5.364 4.992 5.504 0.004 17 0 "[ . 1 . 2]" 1
1035 1 41 TYR QE 1 82 ALA MB . . 3.430 3.027 2.591 3.406 . 0 0 "[ . 1 . 2]" 1
1036 1 42 GLU H 1 42 GLU HB2 . . 3.890 2.546 2.234 2.916 . 0 0 "[ . 1 . 2]" 1
1037 1 42 GLU H 1 42 GLU QB . . 3.370 2.315 2.210 2.372 . 0 0 "[ . 1 . 2]" 1
1038 1 42 GLU H 1 42 GLU HB3 . . 3.890 2.774 2.449 3.510 . 0 0 "[ . 1 . 2]" 1
1039 1 42 GLU H 1 80 VAL QG . . 4.610 3.713 3.231 3.975 . 0 0 "[ . 1 . 2]" 1
1040 1 42 GLU H 1 81 ARG QG . . 4.080 2.676 2.218 3.130 . 0 0 "[ . 1 . 2]" 1
1041 1 42 GLU HA 1 42 GLU HG2 . . 4.020 3.342 2.216 3.841 . 0 0 "[ . 1 . 2]" 1
1042 1 42 GLU HA 1 42 GLU HG3 . . 4.020 2.686 2.161 3.632 . 0 0 "[ . 1 . 2]" 1
1043 1 42 GLU HA 1 43 ILE H . . 2.890 2.215 2.160 2.306 . 0 0 "[ . 1 . 2]" 1
1044 1 42 GLU HA 1 43 ILE HB . . 4.550 4.463 4.405 4.550 . 0 0 "[ . 1 . 2]" 1
1045 1 42 GLU HA 1 43 ILE MD . . 4.000 2.944 2.621 3.239 . 0 0 "[ . 1 . 2]" 1
1046 1 42 GLU HA 1 58 ALA H . . 4.640 4.373 4.125 4.652 0.012 1 0 "[ . 1 . 2]" 1
1047 1 42 GLU HA 1 58 ALA MB . . 5.220 5.010 4.569 5.241 0.021 1 0 "[ . 1 . 2]" 1
1048 1 42 GLU HA 1 59 ARG HA . . 3.480 2.573 1.985 3.071 . 0 0 "[ . 1 . 2]" 1
1049 1 42 GLU HA 1 59 ARG QB . . 5.340 4.454 1.992 5.081 . 0 0 "[ . 1 . 2]" 1
1050 1 42 GLU HA 1 59 ARG HG2 . . 4.810 4.191 3.548 4.786 . 0 0 "[ . 1 . 2]" 1
1051 1 42 GLU HA 1 59 ARG QG . . 4.120 3.468 2.473 4.036 . 0 0 "[ . 1 . 2]" 1
1052 1 42 GLU HA 1 59 ARG HG3 . . 4.810 3.835 2.490 4.742 . 0 0 "[ . 1 . 2]" 1
1053 1 42 GLU QB 1 43 ILE H . . 3.810 3.489 2.997 3.678 . 0 0 "[ . 1 . 2]" 1
1054 1 42 GLU QB 1 59 ARG QG . . 4.650 3.830 2.832 4.667 0.017 1 0 "[ . 1 . 2]" 1
1055 1 42 GLU QB 1 81 ARG H . . 4.320 3.770 3.475 4.182 . 0 0 "[ . 1 . 2]" 1
1056 1 42 GLU QB 1 81 ARG QD . . 4.560 3.200 2.179 4.005 . 0 0 "[ . 1 . 2]" 1
1057 1 42 GLU QB 1 81 ARG HE . . 3.780 2.433 1.847 3.569 . 0 0 "[ . 1 . 2]" 1
1058 1 42 GLU QB 1 81 ARG QG . . 3.580 2.193 1.910 2.678 . 0 0 "[ . 1 . 2]" 1
1059 1 42 GLU QB 1 88 TYR QD . . 4.150 3.685 3.345 4.116 . 0 0 "[ . 1 . 2]" 1
1060 1 42 GLU HB2 1 43 ILE H . . 4.350 4.196 3.982 4.348 . 0 0 "[ . 1 . 2]" 1
1061 1 42 GLU HB2 1 81 ARG H . . 5.180 4.968 4.199 5.183 0.003 1 0 "[ . 1 . 2]" 1
1062 1 42 GLU HB2 1 81 ARG HE . . 4.510 3.429 2.093 4.513 0.003 1 0 "[ . 1 . 2]" 1
1063 1 42 GLU HB2 1 88 TYR QE . . 4.400 3.164 2.385 3.635 . 0 0 "[ . 1 . 2]" 1
1064 1 42 GLU HB3 1 43 ILE H . . 4.350 3.753 3.065 4.145 . 0 0 "[ . 1 . 2]" 1
1065 1 42 GLU HB3 1 81 ARG H . . 5.180 3.964 3.564 5.058 . 0 0 "[ . 1 . 2]" 1
1066 1 42 GLU HB3 1 81 ARG HE . . 4.510 2.539 1.903 3.763 . 0 0 "[ . 1 . 2]" 1
1067 1 42 GLU HB3 1 88 TYR QE . . 4.400 4.103 3.334 4.402 0.002 17 0 "[ . 1 . 2]" 1
1068 1 42 GLU QG 1 43 ILE H . . 3.930 2.535 1.922 3.665 . 0 0 "[ . 1 . 2]" 1
1069 1 42 GLU QG 1 59 ARG QG . . 4.310 3.533 2.075 4.273 . 0 0 "[ . 1 . 2]" 1
1070 1 42 GLU QG 1 88 TYR QE . . 4.220 3.789 2.248 4.223 0.003 1 0 "[ . 1 . 2]" 1
1071 1 42 GLU HG2 1 43 ILE H . . 4.510 3.628 2.182 4.510 . 16 0 "[ . 1 . 2]" 1
1072 1 42 GLU HG3 1 43 ILE H . . 4.510 2.861 1.929 4.386 . 0 0 "[ . 1 . 2]" 1
1073 1 43 ILE H 1 43 ILE HB . . 3.310 2.641 2.511 2.797 . 0 0 "[ . 1 . 2]" 1
1074 1 43 ILE H 1 43 ILE MD . . 3.650 2.562 2.140 2.799 . 0 0 "[ . 1 . 2]" 1
1075 1 43 ILE H 1 43 ILE HG12 . . 4.660 4.515 4.325 4.587 . 0 0 "[ . 1 . 2]" 1
1076 1 43 ILE H 1 43 ILE HG13 . . 3.950 3.793 3.568 3.926 . 0 0 "[ . 1 . 2]" 1
1077 1 43 ILE H 1 43 ILE MG . . 4.290 3.821 3.744 3.903 . 0 0 "[ . 1 . 2]" 1
1078 1 43 ILE H 1 57 MET HA . . 4.460 4.338 4.115 4.468 0.008 1 0 "[ . 1 . 2]" 1
1079 1 43 ILE H 1 58 ALA H . . 3.650 2.641 2.515 2.818 . 0 0 "[ . 1 . 2]" 1
1080 1 43 ILE H 1 58 ALA MB . . 4.170 3.800 3.395 4.130 . 0 0 "[ . 1 . 2]" 1
1081 1 43 ILE H 1 59 ARG HA . . 3.960 3.648 2.846 3.965 0.005 9 0 "[ . 1 . 2]" 1
1082 1 43 ILE HB 1 43 ILE MD . . 3.540 2.148 2.086 2.295 . 0 0 "[ . 1 . 2]" 1
1083 1 43 ILE HB 1 45 TYR QD . . 4.660 4.272 3.825 4.635 . 0 0 "[ . 1 . 2]" 1
1084 1 43 ILE HB 1 57 MET HA . . 5.500 4.892 4.625 5.134 . 0 0 "[ . 1 . 2]" 1
1085 1 43 ILE HB 1 58 ALA H . . 3.720 3.372 3.180 3.586 . 0 0 "[ . 1 . 2]" 1
1086 1 43 ILE HB 1 58 ALA MB . . 3.350 2.923 2.204 3.360 0.010 20 0 "[ . 1 . 2]" 1
1087 1 43 ILE HB 1 67 ILE MD . . 4.140 3.214 2.953 3.556 . 0 0 "[ . 1 . 2]" 1
1088 1 43 ILE HB 1 80 VAL HA . . 5.500 5.160 4.896 5.472 . 0 0 "[ . 1 . 2]" 1
1089 1 43 ILE MD 1 58 ALA H . . 5.130 4.224 3.820 4.428 . 0 0 "[ . 1 . 2]" 1
1090 1 43 ILE MD 1 58 ALA MB . . 4.280 3.510 3.041 3.980 . 0 0 "[ . 1 . 2]" 1
1091 1 43 ILE MD 1 59 ARG HA . . 3.950 3.517 2.416 3.953 0.003 20 0 "[ . 1 . 2]" 1
1092 1 43 ILE MD 1 60 SER H . . 4.040 3.581 3.202 3.883 . 0 0 "[ . 1 . 2]" 1
1093 1 43 ILE MD 1 60 SER QB . . 3.380 2.365 2.046 2.984 . 0 0 "[ . 1 . 2]" 1
1094 1 43 ILE MD 1 65 ALA H . . 4.700 4.530 4.323 4.679 . 0 0 "[ . 1 . 2]" 1
1095 1 43 ILE MD 1 65 ALA HA . . 5.030 4.815 4.477 5.034 0.004 1 0 "[ . 1 . 2]" 1
1096 1 43 ILE MD 1 65 ALA MB . . 2.990 2.263 1.975 2.431 . 0 0 "[ . 1 . 2]" 1
1097 1 43 ILE MD 1 67 ILE MD . . 4.160 3.961 3.688 4.157 . 0 0 "[ . 1 . 2]" 1
1098 1 43 ILE MD 1 80 VAL HA . . 4.780 3.868 3.487 4.272 . 0 0 "[ . 1 . 2]" 1
1099 1 43 ILE MD 1 80 VAL HB . . 5.290 4.027 3.563 4.502 . 0 0 "[ . 1 . 2]" 1
1100 1 43 ILE MD 1 80 VAL QG . . 3.500 2.574 2.199 3.018 . 0 0 "[ . 1 . 2]" 1
1101 1 43 ILE HG12 1 43 ILE MG . . 3.170 2.048 2.002 2.185 . 0 0 "[ . 1 . 2]" 1
1102 1 43 ILE HG12 1 65 ALA MB . . 3.990 3.025 2.619 3.564 . 0 0 "[ . 1 . 2]" 1
1103 1 43 ILE HG12 1 80 VAL HA . . 4.860 4.328 3.790 4.704 . 0 0 "[ . 1 . 2]" 1
1104 1 43 ILE HG12 1 80 VAL HB . . 4.470 3.711 3.106 4.113 . 0 0 "[ . 1 . 2]" 1
1105 1 43 ILE HG12 1 80 VAL QG . . 3.730 3.373 3.064 3.687 . 0 0 "[ . 1 . 2]" 1
1106 1 43 ILE HG13 1 43 ILE MG . . 3.380 2.679 2.645 2.729 . 0 0 "[ . 1 . 2]" 1
1107 1 43 ILE HG13 1 44 ARG H . . 4.480 4.210 3.985 4.327 . 0 0 "[ . 1 . 2]" 1
1108 1 43 ILE HG13 1 80 VAL HA . . 3.720 2.699 2.305 3.054 . 0 0 "[ . 1 . 2]" 1
1109 1 43 ILE HG13 1 80 VAL QG . . 3.250 2.402 2.174 2.728 . 0 0 "[ . 1 . 2]" 1
1110 1 43 ILE MG 1 44 ARG H . . 3.480 2.488 1.901 2.817 . 0 0 "[ . 1 . 2]" 1
1111 1 43 ILE MG 1 44 ARG HA . . 4.790 3.654 3.347 3.871 . 0 0 "[ . 1 . 2]" 1
1112 1 43 ILE MG 1 44 ARG QB . . 4.790 4.175 3.901 4.327 . 0 0 "[ . 1 . 2]" 1
1113 1 43 ILE MG 1 45 TYR HB2 . . 4.860 4.719 4.548 4.871 0.011 20 0 "[ . 1 . 2]" 1
1114 1 43 ILE MG 1 45 TYR HB3 . . 4.250 3.257 3.084 3.399 . 0 0 "[ . 1 . 2]" 1
1115 1 43 ILE MG 1 45 TYR QD . . 3.450 2.638 2.396 2.851 . 0 0 "[ . 1 . 2]" 1
1116 1 43 ILE MG 1 45 TYR QE . . 4.330 4.076 3.451 4.330 0.000 19 0 "[ . 1 . 2]" 1
1117 1 43 ILE MG 1 57 MET HA . . 4.940 4.493 4.222 4.743 . 0 0 "[ . 1 . 2]" 1
1118 1 43 ILE MG 1 58 ALA H . . 4.750 4.032 3.751 4.316 . 0 0 "[ . 1 . 2]" 1
1119 1 43 ILE MG 1 58 ALA MB . . 4.070 3.516 2.805 4.033 . 0 0 "[ . 1 . 2]" 1
1120 1 43 ILE MG 1 65 ALA MB . . 4.970 3.780 3.291 4.210 . 0 0 "[ . 1 . 2]" 1
1121 1 43 ILE MG 1 67 ILE MD . . 3.070 2.023 1.768 2.282 . 0 0 "[ . 1 . 2]" 1
1122 1 43 ILE MG 1 78 VAL HB . . 4.660 4.162 4.034 4.469 . 0 0 "[ . 1 . 2]" 1
1123 1 43 ILE MG 1 79 GLN H . . 4.320 2.729 2.405 3.027 . 0 0 "[ . 1 . 2]" 1
1124 1 43 ILE MG 1 80 VAL HA . . 4.250 3.900 3.470 4.253 0.003 14 0 "[ . 1 . 2]" 1
1125 1 43 ILE MG 1 80 VAL HB . . 4.700 3.982 3.492 4.342 . 0 0 "[ . 1 . 2]" 1
1126 1 43 ILE MG 1 80 VAL QG . . 5.440 3.995 3.732 4.220 . 0 0 "[ . 1 . 2]" 1
1127 1 44 ARG H 1 44 ARG QB . . 3.360 2.426 2.324 2.550 . 0 0 "[ . 1 . 2]" 1
1128 1 44 ARG H 1 45 TYR QD . . 4.850 4.619 4.188 4.839 . 0 0 "[ . 1 . 2]" 1
1129 1 44 ARG H 1 78 VAL QG . . 4.530 3.605 3.260 4.013 . 0 0 "[ . 1 . 2]" 1
1130 1 44 ARG H 1 79 GLN H . . 3.460 2.854 2.540 3.193 . 0 0 "[ . 1 . 2]" 1
1131 1 44 ARG H 1 80 VAL HA . . 4.170 3.864 3.574 4.118 . 0 0 "[ . 1 . 2]" 1
1132 1 44 ARG H 1 91 PHE QE . . 4.070 3.137 2.721 3.903 . 0 0 "[ . 1 . 2]" 1
1133 1 44 ARG HA 1 44 ARG QG . . 3.570 2.491 2.313 2.727 . 0 0 "[ . 1 . 2]" 1
1134 1 44 ARG HA 1 45 TYR H . . 2.890 2.149 2.140 2.203 . 0 0 "[ . 1 . 2]" 1
1135 1 44 ARG HA 1 45 TYR QD . . 4.260 3.265 2.912 3.488 . 0 0 "[ . 1 . 2]" 1
1136 1 44 ARG HA 1 56 SER H . . 4.920 4.587 4.292 4.866 . 0 0 "[ . 1 . 2]" 1
1137 1 44 ARG HA 1 57 MET H . . 5.090 4.760 4.203 5.012 . 0 0 "[ . 1 . 2]" 1
1138 1 44 ARG HA 1 57 MET HA . . 3.470 2.381 2.005 2.730 . 0 0 "[ . 1 . 2]" 1
1139 1 44 ARG HA 1 57 MET QB . . 4.540 3.924 2.035 4.396 . 0 0 "[ . 1 . 2]" 1
1140 1 44 ARG HA 1 57 MET ME . . 4.690 4.075 3.648 4.623 . 0 0 "[ . 1 . 2]" 1
1141 1 44 ARG HA 1 57 MET HG2 . . 4.800 3.090 2.680 4.240 . 0 0 "[ . 1 . 2]" 1
1142 1 44 ARG HA 1 57 MET QG . . 4.120 2.978 2.486 3.973 . 0 0 "[ . 1 . 2]" 1
1143 1 44 ARG HA 1 57 MET HG3 . . 4.800 4.005 2.834 4.812 0.012 20 0 "[ . 1 . 2]" 1
1144 1 44 ARG HA 1 58 ALA H . . 4.160 3.820 3.584 4.163 0.003 9 0 "[ . 1 . 2]" 1
1145 1 44 ARG QB 1 44 ARG QD . . 3.500 2.236 2.059 2.552 . 0 0 "[ . 1 . 2]" 1
1146 1 44 ARG QB 1 45 TYR H . . 4.040 3.782 3.601 3.860 . 0 0 "[ . 1 . 2]" 1
1147 1 44 ARG QB 1 46 TYR QD . . 4.900 4.496 3.979 4.850 . 0 0 "[ . 1 . 2]" 1
1148 1 44 ARG QB 1 55 SER QB . . 5.320 4.539 4.374 4.935 . 0 0 "[ . 1 . 2]" 1
1149 1 44 ARG QB 1 57 MET HA . . 4.700 3.793 3.488 4.275 . 0 0 "[ . 1 . 2]" 1
1150 1 44 ARG QB 1 57 MET ME . . 4.000 2.525 1.999 3.679 . 0 0 "[ . 1 . 2]" 1
1151 1 44 ARG QB 1 91 PHE QE . . 3.830 3.068 2.713 3.484 . 0 0 "[ . 1 . 2]" 1
1152 1 44 ARG QB 1 91 PHE HZ . . 3.890 2.769 1.893 3.658 . 0 0 "[ . 1 . 2]" 1
1153 1 44 ARG QD 1 46 TYR QD . . 4.510 3.548 2.328 4.301 . 0 0 "[ . 1 . 2]" 1
1154 1 44 ARG QD 1 52 GLU HA . . 4.220 3.627 2.669 4.237 0.017 9 0 "[ . 1 . 2]" 1
1155 1 44 ARG QD 1 52 GLU QB . . 4.440 3.503 2.535 4.289 . 0 0 "[ . 1 . 2]" 1
1156 1 44 ARG QD 1 52 GLU QG . . 4.550 3.577 2.316 4.512 . 0 0 "[ . 1 . 2]" 1
1157 1 44 ARG QD 1 55 SER QB . . 4.630 3.061 2.243 4.336 . 0 0 "[ . 1 . 2]" 1
1158 1 44 ARG QD 1 57 MET ME . . 4.110 2.921 1.986 4.014 . 0 0 "[ . 1 . 2]" 1
1159 1 44 ARG QD 1 91 PHE HZ . . 4.560 3.629 2.848 4.423 . 0 0 "[ . 1 . 2]" 1
1160 1 44 ARG QG 1 45 TYR H . . 3.710 2.845 2.494 3.037 . 0 0 "[ . 1 . 2]" 1
1161 1 44 ARG QG 1 55 SER QB . . 3.430 2.615 2.415 3.008 . 0 0 "[ . 1 . 2]" 1
1162 1 44 ARG QG 1 57 MET HA . . 5.340 3.885 3.521 4.835 . 0 0 "[ . 1 . 2]" 1
1163 1 44 ARG QG 1 57 MET QG . . 4.920 2.881 2.045 3.836 . 0 0 "[ . 1 . 2]" 1
1164 1 44 ARG HG2 1 46 TYR QD . . 4.660 2.774 2.128 3.440 . 0 0 "[ . 1 . 2]" 1
1165 1 44 ARG HG2 1 55 SER HB2 . . 4.520 3.420 2.751 4.248 . 0 0 "[ . 1 . 2]" 1
1166 1 44 ARG HG2 1 55 SER HB3 . . 4.520 3.939 2.901 4.531 0.011 9 0 "[ . 1 . 2]" 1
1167 1 44 ARG HG3 1 46 TYR QD . . 4.660 3.801 2.478 4.606 . 0 0 "[ . 1 . 2]" 1
1168 1 44 ARG HG3 1 55 SER HB2 . . 4.520 3.157 2.586 4.341 . 0 0 "[ . 1 . 2]" 1
1169 1 44 ARG HG3 1 55 SER HB3 . . 4.520 3.763 2.712 4.441 . 0 0 "[ . 1 . 2]" 1
1170 1 45 TYR H 1 45 TYR QD . . 3.530 2.410 2.199 2.757 . 0 0 "[ . 1 . 2]" 1
1171 1 45 TYR H 1 45 TYR QE . . 4.960 3.957 3.754 4.163 . 0 0 "[ . 1 . 2]" 1
1172 1 45 TYR H 1 46 TYR QD . . 5.150 4.570 3.980 4.960 . 0 0 "[ . 1 . 2]" 1
1173 1 45 TYR H 1 55 SER QB . . 4.490 3.910 3.486 4.492 0.002 7 0 "[ . 1 . 2]" 1
1174 1 45 TYR H 1 56 SER H . . 3.740 3.233 2.827 3.587 . 0 0 "[ . 1 . 2]" 1
1175 1 45 TYR H 1 56 SER HB2 . . 4.600 4.064 3.407 4.588 . 0 0 "[ . 1 . 2]" 1
1176 1 45 TYR H 1 57 MET HA . . 3.980 3.545 2.749 3.722 . 0 0 "[ . 1 . 2]" 1
1177 1 45 TYR H 1 57 MET QB . . 5.500 5.281 3.662 5.507 0.007 9 0 "[ . 1 . 2]" 1
1178 1 45 TYR H 1 58 ALA H . . 5.470 5.122 4.731 5.363 . 0 0 "[ . 1 . 2]" 1
1179 1 45 TYR HA 1 45 TYR QD . . 4.160 3.715 3.643 3.736 . 0 0 "[ . 1 . 2]" 1
1180 1 45 TYR HA 1 46 TYR H . . 2.880 2.200 2.149 2.252 . 0 0 "[ . 1 . 2]" 1
1181 1 45 TYR HA 1 46 TYR QD . . 4.570 3.786 3.277 4.264 . 0 0 "[ . 1 . 2]" 1
1182 1 45 TYR HA 1 76 TYR HB3 . . 4.700 4.503 4.126 4.703 0.003 20 0 "[ . 1 . 2]" 1
1183 1 45 TYR HA 1 77 VAL QG . . 4.780 4.400 4.173 4.735 . 0 0 "[ . 1 . 2]" 1
1184 1 45 TYR HA 1 78 VAL HA . . 3.610 2.422 1.999 2.628 . 0 0 "[ . 1 . 2]" 1
1185 1 45 TYR HA 1 78 VAL MG1 . . 4.300 3.740 3.293 4.191 . 0 0 "[ . 1 . 2]" 1
1186 1 45 TYR HA 1 78 VAL QG . . 3.740 2.952 2.474 3.467 . 0 0 "[ . 1 . 2]" 1
1187 1 45 TYR HA 1 78 VAL MG2 . . 4.300 3.100 2.535 3.698 . 0 0 "[ . 1 . 2]" 1
1188 1 45 TYR HA 1 79 GLN H . . 4.250 3.900 3.648 4.244 . 0 0 "[ . 1 . 2]" 1
1189 1 45 TYR HB2 1 46 TYR H . . 3.570 3.034 2.840 3.306 . 0 0 "[ . 1 . 2]" 1
1190 1 45 TYR HB2 1 67 ILE MD . . 4.610 4.365 3.820 4.562 . 0 0 "[ . 1 . 2]" 1
1191 1 45 TYR HB2 1 67 ILE MG . . 4.910 3.409 2.950 3.981 . 0 0 "[ . 1 . 2]" 1
1192 1 45 TYR HB2 1 76 TYR HB2 . . 4.510 4.270 4.034 4.508 . 0 0 "[ . 1 . 2]" 1
1193 1 45 TYR HB2 1 76 TYR HB3 . . 4.600 2.968 2.746 3.260 . 0 0 "[ . 1 . 2]" 1
1194 1 45 TYR HB2 1 78 VAL HA . . 4.750 3.682 3.133 4.043 . 0 0 "[ . 1 . 2]" 1
1195 1 45 TYR HB2 1 78 VAL MG1 . . 4.160 3.916 3.623 4.128 . 0 0 "[ . 1 . 2]" 1
1196 1 45 TYR HB2 1 78 VAL QG . . 3.470 2.383 1.975 2.668 . 0 0 "[ . 1 . 2]" 1
1197 1 45 TYR HB2 1 78 VAL MG2 . . 4.160 2.406 1.981 2.707 . 0 0 "[ . 1 . 2]" 1
1198 1 45 TYR HB3 1 46 TYR H . . 4.230 4.060 3.874 4.241 0.011 14 0 "[ . 1 . 2]" 1
1199 1 45 TYR HB3 1 67 ILE MD . . 4.270 3.270 2.656 3.572 . 0 0 "[ . 1 . 2]" 1
1200 1 45 TYR HB3 1 67 ILE MG . . 4.860 3.305 2.675 4.017 . 0 0 "[ . 1 . 2]" 1
1201 1 45 TYR HB3 1 78 VAL HA . . 4.410 2.888 2.308 3.453 . 0 0 "[ . 1 . 2]" 1
1202 1 45 TYR HB3 1 78 VAL MG1 . . 3.770 2.554 2.266 2.829 . 0 0 "[ . 1 . 2]" 1
1203 1 45 TYR HB3 1 78 VAL QG . . 3.250 2.027 1.892 2.154 . 0 0 "[ . 1 . 2]" 1
1204 1 45 TYR HB3 1 78 VAL MG2 . . 3.770 2.139 1.963 2.335 . 0 0 "[ . 1 . 2]" 1
1205 1 45 TYR HB3 1 79 GLN H . . 4.700 4.176 3.584 4.627 . 0 0 "[ . 1 . 2]" 1
1206 1 45 TYR QD 1 46 TYR H . . 4.640 4.153 3.979 4.476 . 0 0 "[ . 1 . 2]" 1
1207 1 45 TYR QD 1 56 SER H . . 4.960 4.314 4.069 4.646 . 0 0 "[ . 1 . 2]" 1
1208 1 45 TYR QD 1 56 SER HB2 . . 4.410 3.729 3.341 4.269 . 0 0 "[ . 1 . 2]" 1
1209 1 45 TYR QD 1 56 SER HB3 . . 5.200 4.589 3.415 5.203 0.003 20 0 "[ . 1 . 2]" 1
1210 1 45 TYR QD 1 57 MET HA . . 4.370 3.787 2.897 4.159 . 0 0 "[ . 1 . 2]" 1
1211 1 45 TYR QD 1 58 ALA H . . 4.700 4.323 3.886 4.695 . 0 0 "[ . 1 . 2]" 1
1212 1 45 TYR QD 1 58 ALA MB . . 4.010 3.761 3.402 4.010 . 0 0 "[ . 1 . 2]" 1
1213 1 45 TYR QD 1 67 ILE MD . . 3.900 2.604 2.291 2.926 . 0 0 "[ . 1 . 2]" 1
1214 1 45 TYR QD 1 67 ILE MG . . 3.610 2.740 2.296 3.040 . 0 0 "[ . 1 . 2]" 1
1215 1 45 TYR QD 1 70 LEU MD2 . . 3.810 2.696 2.372 3.129 . 0 0 "[ . 1 . 2]" 1
1216 1 45 TYR QD 1 76 TYR HB3 . . 4.630 3.810 3.105 4.202 . 0 0 "[ . 1 . 2]" 1
1217 1 45 TYR QD 1 76 TYR QD . . 3.670 3.353 2.708 3.664 . 0 0 "[ . 1 . 2]" 1
1218 1 45 TYR QD 1 76 TYR QE . . 5.090 4.532 3.755 4.842 . 0 0 "[ . 1 . 2]" 1
1219 1 45 TYR QD 1 78 VAL MG1 . . 4.450 3.589 3.353 3.830 . 0 0 "[ . 1 . 2]" 1
1220 1 45 TYR QD 1 78 VAL MG2 . . 4.450 3.733 3.434 3.920 . 0 0 "[ . 1 . 2]" 1
1221 1 45 TYR QE 1 56 SER HB2 . . 4.070 2.955 2.450 3.462 . 0 0 "[ . 1 . 2]" 1
1222 1 45 TYR QE 1 56 SER HB3 . . 4.170 3.287 2.648 3.859 . 0 0 "[ . 1 . 2]" 1
1223 1 45 TYR QE 1 57 MET HA . . 4.290 3.742 3.045 4.141 . 0 0 "[ . 1 . 2]" 1
1224 1 45 TYR QE 1 58 ALA H . . 4.310 3.959 3.521 4.279 . 0 0 "[ . 1 . 2]" 1
1225 1 45 TYR QE 1 58 ALA MB . . 3.390 2.549 2.234 3.010 . 0 0 "[ . 1 . 2]" 1
1226 1 45 TYR QE 1 67 ILE MD . . 4.260 3.164 2.702 3.721 . 0 0 "[ . 1 . 2]" 1
1227 1 45 TYR QE 1 67 ILE MG . . 3.630 2.708 2.420 3.034 . 0 0 "[ . 1 . 2]" 1
1228 1 45 TYR QE 1 70 LEU MD2 . . 3.250 2.665 2.068 3.152 . 0 0 "[ . 1 . 2]" 1
1229 1 45 TYR QE 1 76 TYR QD . . 5.360 5.087 4.505 5.362 0.002 14 0 "[ . 1 . 2]" 1
1230 1 46 TYR H 1 46 TYR QD . . 3.730 3.213 2.936 3.430 . 0 0 "[ . 1 . 2]" 1
1231 1 46 TYR H 1 46 TYR QE . . 4.600 4.445 4.273 4.600 . 0 0 "[ . 1 . 2]" 1
1232 1 46 TYR H 1 47 GLU H . . 4.690 4.335 4.167 4.428 . 0 0 "[ . 1 . 2]" 1
1233 1 46 TYR H 1 76 TYR HB2 . . 5.500 5.363 5.100 5.499 . 0 0 "[ . 1 . 2]" 1
1234 1 46 TYR H 1 76 TYR HB3 . . 4.340 3.702 3.463 3.834 . 0 0 "[ . 1 . 2]" 1
1235 1 46 TYR H 1 76 TYR QD . . 4.160 4.027 3.747 4.159 . 0 0 "[ . 1 . 2]" 1
1236 1 46 TYR H 1 77 VAL H . . 3.520 3.217 2.838 3.500 . 0 0 "[ . 1 . 2]" 1
1237 1 46 TYR H 1 77 VAL HB . . 4.050 3.492 3.241 3.861 . 0 0 "[ . 1 . 2]" 1
1238 1 46 TYR H 1 77 VAL MG1 . . 5.500 4.503 4.259 4.810 . 0 0 "[ . 1 . 2]" 1
1239 1 46 TYR H 1 77 VAL QG . . 4.660 4.020 3.855 4.264 . 0 0 "[ . 1 . 2]" 1
1240 1 46 TYR H 1 77 VAL MG2 . . 5.500 4.533 4.301 4.797 . 0 0 "[ . 1 . 2]" 1
1241 1 46 TYR H 1 78 VAL QG . . 4.480 3.882 3.479 4.297 . 0 0 "[ . 1 . 2]" 1
1242 1 46 TYR HA 1 46 TYR QD . . 4.250 3.720 3.679 3.742 . 0 0 "[ . 1 . 2]" 1
1243 1 46 TYR HA 1 47 GLU H . . 3.120 2.287 2.167 2.465 . 0 0 "[ . 1 . 2]" 1
1244 1 46 TYR HA 1 55 SER HB2 . . 5.130 4.240 3.377 5.150 0.020 20 0 "[ . 1 . 2]" 1
1245 1 46 TYR HA 1 55 SER QB . . 4.340 3.713 3.216 4.045 . 0 0 "[ . 1 . 2]" 1
1246 1 46 TYR HA 1 55 SER HB3 . . 5.130 4.430 3.384 5.126 . 0 0 "[ . 1 . 2]" 1
1247 1 46 TYR HA 1 56 SER H . . 4.320 3.777 3.514 4.125 . 0 0 "[ . 1 . 2]" 1
1248 1 46 TYR QB 1 47 GLU H . . 3.360 2.706 2.271 3.099 . 0 0 "[ . 1 . 2]" 1
1249 1 46 TYR QB 1 50 HIS H . . 5.040 4.681 4.399 4.991 . 0 0 "[ . 1 . 2]" 1
1250 1 46 TYR QB 1 50 HIS QB . . 4.100 2.812 2.473 3.148 . 0 0 "[ . 1 . 2]" 1
1251 1 46 TYR QB 1 52 GLU HA . . 4.780 3.556 3.081 4.465 . 0 0 "[ . 1 . 2]" 1
1252 1 46 TYR QB 1 55 SER HB2 . . 3.840 2.324 1.975 3.374 . 0 0 "[ . 1 . 2]" 1
1253 1 46 TYR QB 1 55 SER QB . . 3.350 1.929 1.812 2.077 . 0 0 "[ . 1 . 2]" 1
1254 1 46 TYR QB 1 55 SER HB3 . . 3.840 2.394 1.977 3.383 . 0 0 "[ . 1 . 2]" 1
1255 1 46 TYR QB 1 56 SER H . . 3.940 3.416 2.635 3.890 . 0 0 "[ . 1 . 2]" 1
1256 1 46 TYR QD 1 47 GLU H . . 4.340 3.606 3.209 4.074 . 0 0 "[ . 1 . 2]" 1
1257 1 46 TYR QD 1 48 LYS HA . . 4.270 3.742 3.394 4.251 . 0 0 "[ . 1 . 2]" 1
1258 1 46 TYR QD 1 50 HIS H . . 4.030 3.697 3.412 3.913 . 0 0 "[ . 1 . 2]" 1
1259 1 46 TYR QD 1 50 HIS QB . . 4.120 3.234 2.403 3.695 . 0 0 "[ . 1 . 2]" 1
1260 1 46 TYR QD 1 51 ASN HA . . 4.570 3.976 3.488 4.384 . 0 0 "[ . 1 . 2]" 1
1261 1 46 TYR QD 1 52 GLU HA . . 4.130 3.255 2.134 3.970 . 0 0 "[ . 1 . 2]" 1
1262 1 46 TYR QD 1 52 GLU QB . . 5.500 4.699 3.266 5.448 . 0 0 "[ . 1 . 2]" 1
1263 1 46 TYR QD 1 52 GLU QG . . 5.340 3.862 2.928 4.985 . 0 0 "[ . 1 . 2]" 1
1264 1 46 TYR QD 1 55 SER HB2 . . 4.180 2.988 2.125 4.180 0.000 20 0 "[ . 1 . 2]" 1
1265 1 46 TYR QD 1 55 SER QB . . 3.650 2.634 1.981 3.158 . 0 0 "[ . 1 . 2]" 1
1266 1 46 TYR QD 1 55 SER HB3 . . 4.180 3.158 2.192 4.176 . 0 0 "[ . 1 . 2]" 1
1267 1 46 TYR QD 1 77 VAL H . . 5.460 4.221 3.538 4.788 . 0 0 "[ . 1 . 2]" 1
1268 1 46 TYR QD 1 77 VAL HB . . 4.690 3.668 3.268 4.186 . 0 0 "[ . 1 . 2]" 1
1269 1 46 TYR QD 1 77 VAL MG1 . . 4.990 4.323 3.896 4.862 . 0 0 "[ . 1 . 2]" 1
1270 1 46 TYR QD 1 77 VAL QG . . 4.320 3.635 3.257 4.163 . 0 0 "[ . 1 . 2]" 1
1271 1 46 TYR QD 1 77 VAL MG2 . . 4.990 3.938 3.426 4.526 . 0 0 "[ . 1 . 2]" 1
1272 1 46 TYR QE 1 48 LYS HA . . 4.010 3.450 2.763 4.009 . 0 0 "[ . 1 . 2]" 1
1273 1 46 TYR QE 1 50 HIS H . . 5.220 5.006 4.490 5.220 0.000 4 0 "[ . 1 . 2]" 1
1274 1 46 TYR QE 1 51 ASN HA . . 4.410 3.925 3.027 4.411 0.001 20 0 "[ . 1 . 2]" 1
1275 1 46 TYR QE 1 52 GLU H . . 5.120 4.622 3.538 5.120 . 0 0 "[ . 1 . 2]" 1
1276 1 46 TYR QE 1 52 GLU HA . . 4.300 3.993 3.137 4.306 0.006 20 0 "[ . 1 . 2]" 1
1277 1 46 TYR QE 1 52 GLU QB . . 5.020 4.615 2.780 5.020 . 0 0 "[ . 1 . 2]" 1
1278 1 46 TYR QE 1 52 GLU HG2 . . 4.870 3.822 2.445 4.767 . 0 0 "[ . 1 . 2]" 1
1279 1 46 TYR QE 1 52 GLU QG . . 4.280 3.157 1.925 4.275 . 0 0 "[ . 1 . 2]" 1
1280 1 46 TYR QE 1 52 GLU HG3 . . 4.870 3.581 2.014 4.832 . 0 0 "[ . 1 . 2]" 1
1281 1 46 TYR QE 1 77 VAL HB . . 4.090 3.065 2.564 3.643 . 0 0 "[ . 1 . 2]" 1
1282 1 46 TYR QE 1 77 VAL MG1 . . 4.000 3.104 2.421 3.865 . 0 0 "[ . 1 . 2]" 1
1283 1 46 TYR QE 1 77 VAL QG . . 3.430 2.609 2.024 3.399 . 0 0 "[ . 1 . 2]" 1
1284 1 46 TYR QE 1 77 VAL MG2 . . 4.000 2.897 2.071 3.768 . 0 0 "[ . 1 . 2]" 1
1285 1 46 TYR QE 1 94 LYS QE . . 4.350 3.996 2.784 4.354 0.004 17 0 "[ . 1 . 2]" 1
1286 1 47 GLU H 1 47 GLU HB2 . . 3.600 2.342 2.202 2.517 . 0 0 "[ . 1 . 2]" 1
1287 1 47 GLU H 1 47 GLU QB . . 3.150 2.311 2.180 2.471 . 0 0 "[ . 1 . 2]" 1
1288 1 47 GLU H 1 47 GLU HB3 . . 3.600 3.559 3.504 3.614 0.014 14 0 "[ . 1 . 2]" 1
1289 1 47 GLU H 1 47 GLU HG2 . . 4.150 3.591 2.363 4.024 . 0 0 "[ . 1 . 2]" 1
1290 1 47 GLU H 1 47 GLU QG . . 3.280 2.708 2.137 3.225 . 0 0 "[ . 1 . 2]" 1
1291 1 47 GLU H 1 47 GLU HG3 . . 4.150 2.893 2.154 3.586 . 0 0 "[ . 1 . 2]" 1
1292 1 47 GLU H 1 48 LYS H . . 4.980 4.582 4.487 4.637 . 0 0 "[ . 1 . 2]" 1
1293 1 47 GLU H 1 50 HIS QB . . 4.240 2.693 2.318 3.212 . 0 0 "[ . 1 . 2]" 1
1294 1 47 GLU H 1 76 TYR QD . . 4.520 3.635 3.110 4.076 . 0 0 "[ . 1 . 2]" 1
1295 1 47 GLU H 1 76 TYR QE . . 5.070 4.081 3.703 4.655 . 0 0 "[ . 1 . 2]" 1
1296 1 47 GLU HA 1 47 GLU HG2 . . 3.960 2.674 2.215 3.602 . 0 0 "[ . 1 . 2]" 1
1297 1 47 GLU HA 1 47 GLU QG . . 3.440 2.286 2.166 2.535 . 0 0 "[ . 1 . 2]" 1
1298 1 47 GLU HA 1 47 GLU HG3 . . 3.960 2.881 2.227 3.691 . 0 0 "[ . 1 . 2]" 1
1299 1 47 GLU HA 1 48 LYS H . . 3.020 2.181 2.141 2.266 . 0 0 "[ . 1 . 2]" 1
1300 1 47 GLU HA 1 76 TYR QD . . 4.110 2.903 2.559 3.467 . 0 0 "[ . 1 . 2]" 1
1301 1 47 GLU HA 1 76 TYR QE . . 4.650 3.526 3.269 3.822 . 0 0 "[ . 1 . 2]" 1
1302 1 47 GLU HA 1 77 VAL H . . 4.260 4.110 3.834 4.254 . 0 0 "[ . 1 . 2]" 1
1303 1 47 GLU QB 1 48 LYS H . . 3.580 3.074 2.737 3.303 . 0 0 "[ . 1 . 2]" 1
1304 1 47 GLU QB 1 49 GLU QG . . 5.340 4.151 3.712 4.969 . 0 0 "[ . 1 . 2]" 1
1305 1 47 GLU QB 1 50 HIS H . . 3.710 2.548 2.265 3.176 . 0 0 "[ . 1 . 2]" 1
1306 1 47 GLU QB 1 50 HIS QB . . 4.050 2.091 1.974 2.361 . 0 0 "[ . 1 . 2]" 1
1307 1 47 GLU HB2 1 48 LYS H . . 4.350 4.237 3.974 4.365 0.015 14 0 "[ . 1 . 2]" 1
1308 1 47 GLU HB2 1 50 HIS H . . 4.270 2.834 2.428 3.704 . 0 0 "[ . 1 . 2]" 1
1309 1 47 GLU HB2 1 50 HIS QB . . 4.730 2.111 1.989 2.388 . 0 0 "[ . 1 . 2]" 1
1310 1 47 GLU HB2 1 50 HIS HD2 . . 4.770 3.205 2.509 4.023 . 0 0 "[ . 1 . 2]" 1
1311 1 47 GLU HB3 1 48 LYS H . . 4.350 3.157 2.789 3.420 . 0 0 "[ . 1 . 2]" 1
1312 1 47 GLU HB3 1 50 HIS H . . 4.270 2.925 2.465 3.679 . 0 0 "[ . 1 . 2]" 1
1313 1 47 GLU HB3 1 50 HIS QB . . 4.730 3.436 3.105 3.732 . 0 0 "[ . 1 . 2]" 1
1314 1 47 GLU HB3 1 50 HIS HD2 . . 4.770 3.483 2.622 4.770 0.000 9 0 "[ . 1 . 2]" 1
1315 1 47 GLU QG 1 48 LYS H . . 4.430 3.827 3.531 4.388 . 0 0 "[ . 1 . 2]" 1
1316 1 47 GLU HG2 1 76 TYR QE . . 3.950 2.712 2.025 3.898 . 0 0 "[ . 1 . 2]" 1
1317 1 47 GLU HG3 1 76 TYR QE . . 3.950 2.540 2.023 3.910 . 0 0 "[ . 1 . 2]" 1
1318 1 48 LYS H 1 48 LYS HB2 . . 3.420 2.466 2.249 3.465 0.045 14 0 "[ . 1 . 2]" 1
1319 1 48 LYS H 1 48 LYS HB3 . . 3.420 2.644 2.156 2.887 . 0 0 "[ . 1 . 2]" 1
1320 1 48 LYS H 1 48 LYS HG2 . . 5.060 4.447 3.044 4.619 . 0 0 "[ . 1 . 2]" 1
1321 1 48 LYS H 1 48 LYS QG . . 4.370 3.882 2.961 3.973 . 0 0 "[ . 1 . 2]" 1
1322 1 48 LYS H 1 48 LYS HG3 . . 5.060 4.320 4.052 4.541 . 0 0 "[ . 1 . 2]" 1
1323 1 48 LYS H 1 75 VAL HB . . 4.340 4.159 3.717 4.333 . 0 0 "[ . 1 . 2]" 1
1324 1 48 LYS H 1 75 VAL MG1 . . 4.590 4.346 3.795 4.591 0.001 11 0 "[ . 1 . 2]" 1
1325 1 48 LYS H 1 76 TYR QD . . 4.770 4.463 4.224 4.732 . 0 0 "[ . 1 . 2]" 1
1326 1 48 LYS H 1 77 VAL H . . 4.280 3.922 3.035 4.274 . 0 0 "[ . 1 . 2]" 1
1327 1 48 LYS H 1 77 VAL QG . . 4.120 3.909 3.202 4.117 . 0 0 "[ . 1 . 2]" 1
1328 1 48 LYS HA 1 48 LYS QD . . 4.790 3.930 3.693 4.541 . 0 0 "[ . 1 . 2]" 1
1329 1 48 LYS HA 1 48 LYS HG2 . . 3.780 3.255 3.039 3.823 0.043 14 0 "[ . 1 . 2]" 1
1330 1 48 LYS HA 1 48 LYS QG . . 3.290 2.418 2.218 3.260 . 0 0 "[ . 1 . 2]" 1
1331 1 48 LYS HA 1 48 LYS HG3 . . 3.780 2.500 2.263 3.536 . 0 0 "[ . 1 . 2]" 1
1332 1 48 LYS HA 1 50 HIS H . . 4.800 4.142 3.591 4.557 . 0 0 "[ . 1 . 2]" 1
1333 1 48 LYS HA 1 75 VAL MG1 . . 4.890 4.597 4.149 4.892 0.002 17 0 "[ . 1 . 2]" 1
1334 1 48 LYS HA 1 77 VAL HB . . 4.830 4.342 3.095 4.810 . 0 0 "[ . 1 . 2]" 1
1335 1 48 LYS HA 1 77 VAL QG . . 3.180 2.550 1.770 2.884 . 0 0 "[ . 1 . 2]" 1
1336 1 48 LYS QB 1 48 LYS QE . . 4.530 3.054 2.018 3.657 . 0 0 "[ . 1 . 2]" 1
1337 1 48 LYS QB 1 49 GLU H . . 3.930 2.923 2.567 3.543 . 0 0 "[ . 1 . 2]" 1
1338 1 48 LYS QB 1 49 GLU QG . . 4.570 3.361 2.894 4.528 . 0 0 "[ . 1 . 2]" 1
1339 1 48 LYS QB 1 75 VAL HB . . 3.450 2.572 2.211 2.728 . 0 0 "[ . 1 . 2]" 1
1340 1 48 LYS QB 1 75 VAL MG1 . . 4.710 2.867 2.283 3.248 . 0 0 "[ . 1 . 2]" 1
1341 1 48 LYS QB 1 77 VAL QG . . 3.760 3.160 1.977 3.680 . 0 0 "[ . 1 . 2]" 1
1342 1 48 LYS HB2 1 49 GLU H . . 4.540 4.016 3.708 4.395 . 0 0 "[ . 1 . 2]" 1
1343 1 48 LYS HB2 1 75 VAL HB . . 4.040 2.783 2.242 4.052 0.012 14 0 "[ . 1 . 2]" 1
1344 1 48 LYS HB3 1 49 GLU H . . 4.540 3.008 2.617 3.794 . 0 0 "[ . 1 . 2]" 1
1345 1 48 LYS HB3 1 75 VAL HB . . 4.040 3.336 2.668 3.836 . 0 0 "[ . 1 . 2]" 1
1346 1 48 LYS QD 1 49 GLU QG . . 5.340 4.774 3.429 5.329 . 0 0 "[ . 1 . 2]" 1
1347 1 48 LYS QD 1 75 VAL HB . . 3.690 2.386 1.984 2.835 . 0 0 "[ . 1 . 2]" 1
1348 1 48 LYS QD 1 75 VAL MG1 . . 3.190 2.167 1.962 2.474 . 0 0 "[ . 1 . 2]" 1
1349 1 48 LYS QD 1 75 VAL MG2 . . 3.960 3.066 2.622 3.514 . 0 0 "[ . 1 . 2]" 1
1350 1 48 LYS QD 1 77 VAL QG . . 4.300 3.758 3.190 4.306 0.006 20 0 "[ . 1 . 2]" 1
1351 1 48 LYS HD2 1 75 VAL MG1 . . 3.720 2.485 1.990 3.606 . 0 0 "[ . 1 . 2]" 1
1352 1 48 LYS HD3 1 75 VAL MG1 . . 3.720 2.989 2.124 3.699 . 0 0 "[ . 1 . 2]" 1
1353 1 48 LYS QE 1 48 LYS HG2 . . 3.550 2.497 2.088 3.487 . 0 0 "[ . 1 . 2]" 1
1354 1 48 LYS QE 1 48 LYS HG3 . . 3.550 2.845 2.226 3.494 . 0 0 "[ . 1 . 2]" 1
1355 1 48 LYS QE 1 49 GLU QG . . 5.500 4.919 3.847 5.504 0.004 20 0 "[ . 1 . 2]" 1
1356 1 48 LYS QE 1 75 VAL HB . . 4.860 3.978 2.655 4.602 . 0 0 "[ . 1 . 2]" 1
1357 1 48 LYS QE 1 75 VAL MG1 . . 4.170 3.459 1.817 4.072 . 0 0 "[ . 1 . 2]" 1
1358 1 48 LYS QE 1 77 VAL QG . . 5.360 4.448 2.566 5.305 . 0 0 "[ . 1 . 2]" 1
1359 1 48 LYS QG 1 49 GLU H . . 4.810 3.907 2.528 4.262 . 0 0 "[ . 1 . 2]" 1
1360 1 48 LYS QG 1 49 GLU HA . . 4.770 3.928 3.094 4.322 . 0 0 "[ . 1 . 2]" 1
1361 1 48 LYS QG 1 49 GLU QG . . 4.210 3.790 2.305 4.160 . 0 0 "[ . 1 . 2]" 1
1362 1 48 LYS QG 1 75 VAL MG1 . . 4.150 3.692 3.327 3.952 . 0 0 "[ . 1 . 2]" 1
1363 1 48 LYS QG 1 77 VAL QG . . 3.560 3.106 2.713 3.591 0.031 14 0 "[ . 1 . 2]" 1
1364 1 48 LYS HG2 1 49 GLU H . . 5.500 4.152 2.653 4.627 . 0 0 "[ . 1 . 2]" 1
1365 1 48 LYS HG2 1 75 VAL HB . . 4.960 4.611 3.112 4.921 . 0 0 "[ . 1 . 2]" 1
1366 1 48 LYS HG2 1 75 VAL MG1 . . 4.790 4.593 3.760 4.794 0.004 17 0 "[ . 1 . 2]" 1
1367 1 48 LYS HG3 1 49 GLU H . . 5.500 4.776 3.183 5.086 . 0 0 "[ . 1 . 2]" 1
1368 1 48 LYS HG3 1 75 VAL HB . . 4.960 4.543 4.177 4.908 . 0 0 "[ . 1 . 2]" 1
1369 1 48 LYS HG3 1 75 VAL MG1 . . 4.790 3.922 3.433 4.340 . 0 0 "[ . 1 . 2]" 1
1370 1 49 GLU H 1 49 GLU HB2 . . 4.090 2.396 2.259 2.630 . 0 0 "[ . 1 . 2]" 1
1371 1 49 GLU H 1 49 GLU QB . . 3.370 2.363 2.234 2.580 . 0 0 "[ . 1 . 2]" 1
1372 1 49 GLU H 1 49 GLU HB3 . . 4.090 3.609 3.538 3.738 . 0 0 "[ . 1 . 2]" 1
1373 1 49 GLU H 1 49 GLU QG . . 3.670 2.735 2.267 3.663 . 0 0 "[ . 1 . 2]" 1
1374 1 49 GLU H 1 50 HIS H . . 3.440 2.365 2.124 2.619 . 0 0 "[ . 1 . 2]" 1
1375 1 49 GLU HA 1 49 GLU QG . . 3.250 2.454 2.173 2.842 . 0 0 "[ . 1 . 2]" 1
1376 1 49 GLU QB 1 50 HIS H . . 4.340 3.029 2.589 3.670 . 0 0 "[ . 1 . 2]" 1
1377 1 49 GLU HB2 1 50 HIS HD2 . . 4.840 2.781 2.311 3.564 . 0 0 "[ . 1 . 2]" 1
1378 1 49 GLU HB3 1 50 HIS HD2 . . 4.840 3.305 2.600 3.756 . 0 0 "[ . 1 . 2]" 1
1379 1 49 GLU QG 1 50 HIS H . . 4.810 4.332 4.048 4.782 . 0 0 "[ . 1 . 2]" 1
1380 1 50 HIS H 1 50 HIS QB . . 3.150 2.355 2.164 2.551 . 0 0 "[ . 1 . 2]" 1
1381 1 50 HIS H 1 50 HIS HD2 . . 4.530 2.957 2.429 3.658 . 0 0 "[ . 1 . 2]" 1
1382 1 50 HIS H 1 51 ASN H . . 4.690 4.532 4.405 4.617 . 0 0 "[ . 1 . 2]" 1
1383 1 50 HIS HA 1 50 HIS HD2 . . 3.810 2.891 2.420 3.519 . 0 0 "[ . 1 . 2]" 1
1384 1 50 HIS QB 1 51 ASN H . . 3.210 2.219 1.937 2.743 . 0 0 "[ . 1 . 2]" 1
1385 1 50 HIS QB 1 54 ASN HB2 . . 4.340 3.687 2.948 4.345 0.005 20 0 "[ . 1 . 2]" 1
1386 1 50 HIS QB 1 54 ASN QB . . 3.760 3.051 2.503 3.676 . 0 0 "[ . 1 . 2]" 1
1387 1 50 HIS QB 1 54 ASN HB3 . . 4.340 3.478 2.531 4.311 . 0 0 "[ . 1 . 2]" 1
1388 1 51 ASN H 1 52 GLU H . . 4.820 4.462 4.395 4.564 . 0 0 "[ . 1 . 2]" 1
1389 1 51 ASN HA 1 52 GLU H . . 3.330 2.552 2.394 2.652 . 0 0 "[ . 1 . 2]" 1
1390 1 51 ASN HA 1 52 GLU QB . . 5.240 4.739 4.483 4.874 . 0 0 "[ . 1 . 2]" 1
1391 1 51 ASN HA 1 52 GLU QG . . 5.340 4.275 3.698 4.997 . 0 0 "[ . 1 . 2]" 1
1392 1 51 ASN HA 1 53 PHE H . . 4.900 4.464 3.980 4.874 . 0 0 "[ . 1 . 2]" 1
1393 1 51 ASN QB 1 51 ASN QD . . 3.020 2.173 2.064 2.474 . 0 0 "[ . 1 . 2]" 1
1394 1 51 ASN QB 1 52 GLU H . . 3.290 2.243 1.923 3.122 . 0 0 "[ . 1 . 2]" 1
1395 1 51 ASN QB 1 52 GLU QB . . 5.000 3.840 3.512 4.625 . 0 0 "[ . 1 . 2]" 1
1396 1 51 ASN QB 1 52 GLU QG . . 5.180 4.242 2.672 4.905 . 0 0 "[ . 1 . 2]" 1
1397 1 51 ASN QB 1 53 PHE H . . 4.030 2.738 2.340 3.374 . 0 0 "[ . 1 . 2]" 1
1398 1 51 ASN HB2 1 52 GLU H . . 3.860 3.072 1.942 3.770 . 0 0 "[ . 1 . 2]" 1
1399 1 51 ASN HB3 1 52 GLU H . . 3.860 2.686 1.937 3.628 . 0 0 "[ . 1 . 2]" 1
1400 1 52 GLU H 1 52 GLU QB . . 3.450 2.415 2.232 2.626 . 0 0 "[ . 1 . 2]" 1
1401 1 52 GLU H 1 52 GLU HG2 . . 4.270 3.591 2.202 4.076 . 0 0 "[ . 1 . 2]" 1
1402 1 52 GLU H 1 52 GLU QG . . 3.540 2.523 1.882 3.422 . 0 0 "[ . 1 . 2]" 1
1403 1 52 GLU H 1 52 GLU HG3 . . 4.270 2.670 1.896 3.679 . 0 0 "[ . 1 . 2]" 1
1404 1 52 GLU H 1 53 PHE H . . 3.960 2.749 2.610 2.921 . 0 0 "[ . 1 . 2]" 1
1405 1 52 GLU HA 1 52 GLU HG2 . . 4.090 3.124 2.408 4.179 0.089 6 0 "[ . 1 . 2]" 1
1406 1 52 GLU HA 1 52 GLU HG3 . . 4.090 2.796 2.287 3.758 . 0 0 "[ . 1 . 2]" 1
1407 1 52 GLU HA 1 54 ASN H . . 4.960 4.634 4.140 4.965 0.005 9 0 "[ . 1 . 2]" 1
1408 1 52 GLU HA 1 55 SER QB . . 3.840 2.532 1.984 3.630 . 0 0 "[ . 1 . 2]" 1
1409 1 52 GLU QB 1 53 PHE H . . 3.740 2.723 2.426 3.507 . 0 0 "[ . 1 . 2]" 1
1410 1 52 GLU QB 1 53 PHE HA . . 4.470 3.901 3.770 4.323 . 0 0 "[ . 1 . 2]" 1
1411 1 52 GLU QB 1 55 SER QB . . 4.540 4.024 3.397 4.464 . 0 0 "[ . 1 . 2]" 1
1412 1 52 GLU QG 1 55 SER QB . . 5.180 4.280 3.687 5.016 . 0 0 "[ . 1 . 2]" 1
1413 1 53 PHE H 1 53 PHE HB2 . . 3.700 2.390 2.207 2.693 . 0 0 "[ . 1 . 2]" 1
1414 1 53 PHE H 1 53 PHE QB . . 3.110 2.306 2.146 2.622 . 0 0 "[ . 1 . 2]" 1
1415 1 53 PHE H 1 53 PHE HB3 . . 3.700 3.167 2.464 3.617 . 0 0 "[ . 1 . 2]" 1
1416 1 53 PHE H 1 53 PHE QD . . 4.260 3.400 1.983 4.182 . 0 0 "[ . 1 . 2]" 1
1417 1 53 PHE HA 1 53 PHE QD . . 3.680 2.585 2.082 3.070 . 0 0 "[ . 1 . 2]" 1
1418 1 53 PHE HA 1 53 PHE QE . . 4.730 4.455 4.245 4.669 . 0 0 "[ . 1 . 2]" 1
1419 1 53 PHE HA 1 54 ASN QB . . 5.340 5.261 5.037 5.353 0.013 5 0 "[ . 1 . 2]" 1
1420 1 53 PHE HA 1 55 SER H . . 4.440 4.225 3.836 4.441 0.001 6 0 "[ . 1 . 2]" 1
1421 1 53 PHE QB 1 54 ASN H . . 3.790 2.194 1.904 2.613 . 0 0 "[ . 1 . 2]" 1
1422 1 53 PHE HB2 1 54 ASN H . . 4.430 2.993 2.128 3.666 . 0 0 "[ . 1 . 2]" 1
1423 1 53 PHE HB3 1 54 ASN H . . 4.430 2.608 1.916 3.605 . 0 0 "[ . 1 . 2]" 1
1424 1 54 ASN H 1 54 ASN HB2 . . 3.690 2.327 2.202 2.629 . 0 0 "[ . 1 . 2]" 1
1425 1 54 ASN H 1 54 ASN QB . . 3.120 2.257 2.180 2.409 . 0 0 "[ . 1 . 2]" 1
1426 1 54 ASN H 1 54 ASN HB3 . . 3.690 3.270 2.711 3.558 . 0 0 "[ . 1 . 2]" 1
1427 1 54 ASN H 1 55 SER H . . 3.680 3.488 3.016 3.686 0.006 9 0 "[ . 1 . 2]" 1
1428 1 54 ASN HA 1 54 ASN HD21 . . 4.770 3.804 2.103 4.373 . 0 0 "[ . 1 . 2]" 1
1429 1 54 ASN HA 1 54 ASN QD . . 4.070 3.510 2.083 3.950 . 0 0 "[ . 1 . 2]" 1
1430 1 54 ASN HA 1 54 ASN HD22 . . 4.770 4.186 3.354 4.500 . 0 0 "[ . 1 . 2]" 1
1431 1 54 ASN HA 1 55 SER H . . 3.190 2.553 2.435 2.784 . 0 0 "[ . 1 . 2]" 1
1432 1 54 ASN QB 1 55 SER H . . 3.910 3.929 3.861 4.000 0.090 20 0 "[ . 1 . 2]" 1
1433 1 54 ASN HB2 1 55 SER H . . 4.720 4.557 4.326 4.659 . 0 0 "[ . 1 . 2]" 1
1434 1 54 ASN HB3 1 55 SER H . . 4.720 4.293 4.249 4.356 . 0 0 "[ . 1 . 2]" 1
1435 1 55 SER H 1 55 SER HB2 . . 4.100 3.415 2.686 3.885 . 0 0 "[ . 1 . 2]" 1
1436 1 55 SER H 1 55 SER QB . . 3.390 2.775 2.436 3.027 . 0 0 "[ . 1 . 2]" 1
1437 1 55 SER H 1 55 SER HB3 . . 4.100 3.097 2.659 3.847 . 0 0 "[ . 1 . 2]" 1
1438 1 55 SER QB 1 56 SER H . . 3.120 2.484 2.124 3.012 . 0 0 "[ . 1 . 2]" 1
1439 1 55 SER HB2 1 56 SER H . . 3.930 2.811 2.207 3.712 . 0 0 "[ . 1 . 2]" 1
1440 1 55 SER HB3 1 56 SER H . . 3.930 3.368 2.168 3.931 0.001 12 0 "[ . 1 . 2]" 1
1441 1 56 SER H 1 56 SER HB2 . . 3.410 2.603 2.349 2.861 . 0 0 "[ . 1 . 2]" 1
1442 1 56 SER H 1 56 SER HB3 . . 4.120 3.700 2.912 3.905 . 0 0 "[ . 1 . 2]" 1
1443 1 56 SER HA 1 57 MET H . . 2.810 2.219 2.147 2.477 . 0 0 "[ . 1 . 2]" 1
1444 1 56 SER HA 1 57 MET QB . . 4.540 4.303 4.132 4.539 . 0 0 "[ . 1 . 2]" 1
1445 1 56 SER HA 1 57 MET QG . . 5.340 3.802 3.408 4.241 . 0 0 "[ . 1 . 2]" 1
1446 1 56 SER HB2 1 57 MET H . . 4.280 4.108 3.751 4.280 0.000 9 0 "[ . 1 . 2]" 1
1447 1 56 SER HB3 1 57 MET H . . 3.330 3.080 2.320 3.342 0.012 20 0 "[ . 1 . 2]" 1
1448 1 57 MET H 1 57 MET QB . . 3.050 2.531 2.288 3.006 . 0 0 "[ . 1 . 2]" 1
1449 1 57 MET H 1 57 MET QG . . 3.320 2.888 2.040 3.280 . 0 0 "[ . 1 . 2]" 1
1450 1 57 MET H 1 58 ALA H . . 4.680 4.482 4.355 4.561 . 0 0 "[ . 1 . 2]" 1
1451 1 57 MET HA 1 57 MET ME . . 4.310 4.093 3.619 4.311 0.001 20 0 "[ . 1 . 2]" 1
1452 1 57 MET HA 1 57 MET HG2 . . 4.030 2.634 2.382 3.821 . 0 0 "[ . 1 . 2]" 1
1453 1 57 MET HA 1 57 MET HG3 . . 4.030 3.087 2.602 3.658 . 0 0 "[ . 1 . 2]" 1
1454 1 57 MET HA 1 58 ALA H . . 2.870 2.270 2.195 2.417 . 0 0 "[ . 1 . 2]" 1
1455 1 57 MET HA 1 58 ALA MB . . 4.280 3.845 3.782 3.903 . 0 0 "[ . 1 . 2]" 1
1456 1 57 MET QB 1 58 ALA H . . 3.570 2.756 2.371 2.980 . 0 0 "[ . 1 . 2]" 1
1457 1 57 MET ME 1 58 ALA H . . 5.080 4.774 3.857 5.081 0.001 10 0 "[ . 1 . 2]" 1
1458 1 57 MET ME 1 81 ARG HE . . 4.910 3.288 2.759 4.269 . 0 0 "[ . 1 . 2]" 1
1459 1 57 MET ME 1 88 TYR QE . . 5.020 4.696 4.147 4.975 . 0 0 "[ . 1 . 2]" 1
1460 1 57 MET ME 1 91 PHE QE . . 4.050 3.400 2.959 3.976 . 0 0 "[ . 1 . 2]" 1
1461 1 57 MET ME 1 91 PHE HZ . . 3.660 2.522 1.976 3.245 . 0 0 "[ . 1 . 2]" 1
1462 1 57 MET QG 1 58 ALA H . . 3.980 3.868 3.550 3.979 . 0 0 "[ . 1 . 2]" 1
1463 1 58 ALA H 1 58 ALA MB . . 3.260 2.591 2.476 2.759 . 0 0 "[ . 1 . 2]" 1
1464 1 58 ALA H 1 59 ARG H . . 4.550 4.291 4.089 4.440 . 0 0 "[ . 1 . 2]" 1
1465 1 58 ALA HA 1 59 ARG HA . . 4.700 4.371 4.346 4.386 . 0 0 "[ . 1 . 2]" 1
1466 1 58 ALA HA 1 59 ARG QB . . 4.710 4.225 4.118 4.440 . 0 0 "[ . 1 . 2]" 1
1467 1 58 ALA MB 1 59 ARG H . . 3.150 2.925 2.337 3.150 . 0 0 "[ . 1 . 2]" 1
1468 1 58 ALA MB 1 59 ARG HA . . 4.480 4.231 4.048 4.326 . 0 0 "[ . 1 . 2]" 1
1469 1 58 ALA MB 1 60 SER QB . . 4.900 4.440 4.219 4.933 0.033 1 0 "[ . 1 . 2]" 1
1470 1 58 ALA MB 1 67 ILE HA . . 5.370 4.461 4.112 4.778 . 0 0 "[ . 1 . 2]" 1
1471 1 58 ALA MB 1 67 ILE MD . . 3.300 3.017 2.495 3.298 . 0 0 "[ . 1 . 2]" 1
1472 1 58 ALA MB 1 67 ILE MG . . 4.280 3.856 3.576 4.124 . 0 0 "[ . 1 . 2]" 1
1473 1 59 ARG H 1 59 ARG HB2 . . 3.730 2.355 2.213 3.682 . 0 0 "[ . 1 . 2]" 1
1474 1 59 ARG H 1 59 ARG QB . . 3.030 2.291 2.190 2.902 . 0 0 "[ . 1 . 2]" 1
1475 1 59 ARG H 1 59 ARG HB3 . . 3.730 3.517 3.038 3.599 . 0 0 "[ . 1 . 2]" 1
1476 1 59 ARG H 1 59 ARG QD . . 4.680 3.681 2.361 4.682 0.002 18 0 "[ . 1 . 2]" 1
1477 1 59 ARG H 1 59 ARG HG2 . . 4.510 4.171 1.947 4.503 . 0 0 "[ . 1 . 2]" 1
1478 1 59 ARG H 1 59 ARG QG . . 3.830 3.112 1.921 3.635 . 0 0 "[ . 1 . 2]" 1
1479 1 59 ARG H 1 59 ARG HG3 . . 4.510 3.269 2.768 3.887 . 0 0 "[ . 1 . 2]" 1
1480 1 59 ARG HA 1 59 ARG QD . . 4.520 3.875 3.025 4.257 . 0 0 "[ . 1 . 2]" 1
1481 1 59 ARG HA 1 59 ARG HG2 . . 4.080 2.887 2.436 3.691 . 0 0 "[ . 1 . 2]" 1
1482 1 59 ARG HA 1 59 ARG QG . . 3.530 2.353 2.168 3.337 . 0 0 "[ . 1 . 2]" 1
1483 1 59 ARG HA 1 59 ARG HG3 . . 4.080 2.574 2.189 3.808 . 0 0 "[ . 1 . 2]" 1
1484 1 59 ARG HA 1 60 SER H . . 2.940 2.275 2.182 2.509 . 0 0 "[ . 1 . 2]" 1
1485 1 59 ARG HA 1 60 SER QB . . 4.910 3.943 3.898 4.002 . 0 0 "[ . 1 . 2]" 1
1486 1 59 ARG QB 1 59 ARG QD . . 3.180 2.228 2.041 2.548 . 0 0 "[ . 1 . 2]" 1
1487 1 59 ARG QB 1 60 SER H . . 3.570 2.783 2.179 3.074 . 0 0 "[ . 1 . 2]" 1
1488 1 59 ARG HB2 1 59 ARG QD . . 3.730 2.384 2.064 2.796 . 0 0 "[ . 1 . 2]" 1
1489 1 59 ARG HB2 1 60 SER H . . 4.260 3.994 2.198 4.260 . 0 0 "[ . 1 . 2]" 1
1490 1 59 ARG HB3 1 59 ARG QD . . 3.730 2.888 2.320 3.492 . 0 0 "[ . 1 . 2]" 1
1491 1 59 ARG HB3 1 60 SER H . . 4.260 2.905 2.526 3.585 . 0 0 "[ . 1 . 2]" 1
1492 1 59 ARG QG 1 60 SER H . . 3.950 3.562 3.333 3.814 . 0 0 "[ . 1 . 2]" 1
1493 1 59 ARG HG2 1 60 SER H . . 4.560 3.939 3.479 4.579 0.019 1 0 "[ . 1 . 2]" 1
1494 1 59 ARG HG3 1 60 SER H . . 4.560 4.291 3.624 4.574 0.014 18 0 "[ . 1 . 2]" 1
1495 1 60 SER H 1 60 SER QB . . 3.440 2.666 2.506 2.745 . 0 0 "[ . 1 . 2]" 1
1496 1 60 SER H 1 65 ALA MB . . 5.500 4.796 4.517 5.172 . 0 0 "[ . 1 . 2]" 1
1497 1 60 SER HA 1 61 GLN QG . . 4.780 4.012 3.844 4.408 . 0 0 "[ . 1 . 2]" 1
1498 1 60 SER HA 1 62 THR H . . 4.110 3.672 3.471 4.068 . 0 0 "[ . 1 . 2]" 1
1499 1 60 SER HA 1 65 ALA MB . . 4.600 3.874 3.472 4.226 . 0 0 "[ . 1 . 2]" 1
1500 1 60 SER QB 1 61 GLN HA . . 5.080 4.716 4.642 4.933 . 0 0 "[ . 1 . 2]" 1
1501 1 60 SER QB 1 62 THR H . . 3.590 3.028 2.755 3.313 . 0 0 "[ . 1 . 2]" 1
1502 1 60 SER QB 1 62 THR MG . . 4.860 3.722 3.397 4.124 . 0 0 "[ . 1 . 2]" 1
1503 1 60 SER QB 1 64 THR H . . 4.740 4.397 3.994 4.682 . 0 0 "[ . 1 . 2]" 1
1504 1 60 SER QB 1 65 ALA HA . . 5.300 4.172 3.723 4.899 . 0 0 "[ . 1 . 2]" 1
1505 1 60 SER QB 1 65 ALA MB . . 3.180 2.149 1.902 2.572 . 0 0 "[ . 1 . 2]" 1
1506 1 60 SER HG 1 62 THR H . . 3.160 2.349 1.898 2.880 . 0 0 "[ . 1 . 2]" 1
1507 1 60 SER HG 1 62 THR MG . . 4.450 2.309 1.971 2.900 . 0 0 "[ . 1 . 2]" 1
1508 1 60 SER HG 1 64 THR H . . 3.750 3.184 2.791 3.646 . 0 0 "[ . 1 . 2]" 1
1509 1 60 SER HG 1 64 THR MG . . 4.540 4.084 3.744 4.483 . 0 0 "[ . 1 . 2]" 1
1510 1 60 SER HG 1 65 ALA H . . 5.500 4.813 4.286 5.484 . 0 0 "[ . 1 . 2]" 1
1511 1 60 SER HG 1 65 ALA MB . . 3.930 2.737 2.149 3.218 . 0 0 "[ . 1 . 2]" 1
1512 1 61 GLN H 1 61 GLN QG . . 4.640 2.749 2.605 3.209 . 0 0 "[ . 1 . 2]" 1
1513 1 61 GLN H 1 62 THR H . . 3.880 2.665 2.303 2.845 . 0 0 "[ . 1 . 2]" 1
1514 1 61 GLN HA 1 61 GLN QG . . 3.390 2.292 2.173 2.411 . 0 0 "[ . 1 . 2]" 1
1515 1 61 GLN QB 1 62 THR H . . 3.700 3.581 3.262 3.706 0.006 19 0 "[ . 1 . 2]" 1
1516 1 61 GLN QB 1 62 THR HB . . 4.780 4.103 4.035 4.164 . 0 0 "[ . 1 . 2]" 1
1517 1 61 GLN QB 1 62 THR MG . . 3.880 3.442 3.192 3.623 . 0 0 "[ . 1 . 2]" 1
1518 1 61 GLN HB2 1 62 THR H . . 4.420 3.825 3.401 3.993 . 0 0 "[ . 1 . 2]" 1
1519 1 61 GLN HB2 1 62 THR MG . . 4.690 3.575 3.312 3.801 . 0 0 "[ . 1 . 2]" 1
1520 1 61 GLN HB3 1 62 THR H . . 4.420 4.325 4.019 4.420 0.000 12 0 "[ . 1 . 2]" 1
1521 1 61 GLN HB3 1 62 THR MG . . 4.690 4.492 4.178 4.684 . 0 0 "[ . 1 . 2]" 1
1522 1 61 GLN QG 1 62 THR H . . 4.690 4.521 4.453 4.668 . 0 0 "[ . 1 . 2]" 1
1523 1 61 GLN QG 1 62 THR MG . . 5.140 4.879 4.655 5.134 . 0 0 "[ . 1 . 2]" 1
1524 1 62 THR H 1 62 THR HB . . 4.010 3.520 3.280 3.671 . 0 0 "[ . 1 . 2]" 1
1525 1 62 THR H 1 62 THR MG . . 3.230 2.362 1.958 2.566 . 0 0 "[ . 1 . 2]" 1
1526 1 62 THR H 1 63 ASN H . . 4.600 4.395 4.372 4.447 . 0 0 "[ . 1 . 2]" 1
1527 1 62 THR H 1 64 THR H . . 4.440 3.911 3.799 4.081 . 0 0 "[ . 1 . 2]" 1
1528 1 62 THR HA 1 62 THR MG . . 3.340 3.190 3.170 3.200 . 0 0 "[ . 1 . 2]" 1
1529 1 62 THR HA 1 63 ASN H . . 3.210 2.539 2.509 2.583 . 0 0 "[ . 1 . 2]" 1
1530 1 62 THR HA 1 64 THR H . . 4.420 4.034 3.943 4.149 . 0 0 "[ . 1 . 2]" 1
1531 1 62 THR HB 1 63 ASN H . . 3.590 3.474 3.438 3.528 . 0 0 "[ . 1 . 2]" 1
1532 1 62 THR HB 1 64 THR H . . 4.260 4.134 3.991 4.261 0.001 10 0 "[ . 1 . 2]" 1
1533 1 62 THR HB 1 64 THR MG . . 4.790 3.624 3.528 3.937 . 0 0 "[ . 1 . 2]" 1
1534 1 62 THR MG 1 63 ASN H . . 3.670 3.413 3.257 3.555 . 0 0 "[ . 1 . 2]" 1
1535 1 62 THR MG 1 63 ASN HA . . 4.700 4.423 4.247 4.600 . 0 0 "[ . 1 . 2]" 1
1536 1 62 THR MG 1 64 THR H . . 3.380 2.037 1.883 2.219 . 0 0 "[ . 1 . 2]" 1
1537 1 62 THR MG 1 64 THR HB . . 4.310 4.180 4.022 4.286 . 0 0 "[ . 1 . 2]" 1
1538 1 62 THR MG 1 64 THR MG . . 3.650 1.896 1.776 2.018 . 0 0 "[ . 1 . 2]" 1
1539 1 63 ASN H 1 63 ASN HB2 . . 3.690 2.197 2.180 2.228 . 0 0 "[ . 1 . 2]" 1
1540 1 63 ASN H 1 63 ASN HB3 . . 3.780 3.488 3.482 3.519 . 0 0 "[ . 1 . 2]" 1
1541 1 63 ASN H 1 64 THR H . . 3.330 2.774 2.636 2.893 . 0 0 "[ . 1 . 2]" 1
1542 1 63 ASN H 1 64 THR MG . . 4.740 3.406 3.068 3.932 . 0 0 "[ . 1 . 2]" 1
1543 1 63 ASN HA 1 63 ASN HD21 . . 4.690 3.449 3.186 3.778 . 0 0 "[ . 1 . 2]" 1
1544 1 63 ASN HA 1 63 ASN HD22 . . 4.840 3.966 3.836 4.141 . 0 0 "[ . 1 . 2]" 1
1545 1 63 ASN HA 1 64 THR H . . 3.200 3.061 2.953 3.184 . 0 0 "[ . 1 . 2]" 1
1546 1 63 ASN HA 1 64 THR HA . . 4.690 4.419 4.380 4.472 . 0 0 "[ . 1 . 2]" 1
1547 1 63 ASN HB2 1 63 ASN HD22 . . 4.020 3.972 3.894 4.019 . 0 0 "[ . 1 . 2]" 1
1548 1 63 ASN HB2 1 64 THR H . . 4.530 3.989 3.800 4.141 . 0 0 "[ . 1 . 2]" 1
1549 1 63 ASN HB3 1 63 ASN HD21 . . 3.540 2.133 2.116 2.173 . 0 0 "[ . 1 . 2]" 1
1550 1 63 ASN HB3 1 63 ASN HD22 . . 3.890 3.442 3.435 3.457 . 0 0 "[ . 1 . 2]" 1
1551 1 63 ASN HB3 1 64 THR H . . 4.380 4.230 4.128 4.306 . 0 0 "[ . 1 . 2]" 1
1552 1 64 THR H 1 64 THR HB . . 3.510 3.386 3.182 3.509 . 0 0 "[ . 1 . 2]" 1
1553 1 64 THR H 1 64 THR MG . . 3.520 2.171 1.960 2.505 . 0 0 "[ . 1 . 2]" 1
1554 1 64 THR H 1 65 ALA H . . 4.290 4.186 4.057 4.277 . 0 0 "[ . 1 . 2]" 1
1555 1 64 THR H 1 65 ALA MB . . 4.310 4.186 4.035 4.310 . 8 0 "[ . 1 . 2]" 1
1556 1 64 THR HA 1 64 THR MG . . 3.470 3.189 3.168 3.205 . 0 0 "[ . 1 . 2]" 1
1557 1 64 THR HA 1 65 ALA H . . 2.900 2.149 2.142 2.169 . 0 0 "[ . 1 . 2]" 1
1558 1 64 THR HA 1 65 ALA MB . . 4.430 3.955 3.900 4.013 . 0 0 "[ . 1 . 2]" 1
1559 1 64 THR HB 1 65 ALA H . . 4.290 4.175 4.008 4.289 . 0 0 "[ . 1 . 2]" 1
1560 1 64 THR MG 1 65 ALA H . . 4.210 4.089 3.639 4.207 . 0 0 "[ . 1 . 2]" 1
1561 1 64 THR MG 1 65 ALA HA . . 4.370 4.081 3.469 4.318 . 0 0 "[ . 1 . 2]" 1
1562 1 64 THR MG 1 65 ALA MB . . 4.530 4.455 4.186 4.532 0.002 11 0 "[ . 1 . 2]" 1
1563 1 65 ALA H 1 65 ALA MB . . 3.440 2.656 2.593 2.716 . 0 0 "[ . 1 . 2]" 1
1564 1 65 ALA H 1 66 ARG HA . . 4.930 4.682 4.576 4.764 . 0 0 "[ . 1 . 2]" 1
1565 1 65 ALA HA 1 66 ARG H . . 2.690 2.232 2.150 2.327 . 0 0 "[ . 1 . 2]" 1
1566 1 65 ALA HA 1 66 ARG HB2 . . 4.960 4.596 4.441 4.813 . 0 0 "[ . 1 . 2]" 1
1567 1 65 ALA HA 1 66 ARG QB . . 4.350 4.003 3.962 4.059 . 0 0 "[ . 1 . 2]" 1
1568 1 65 ALA HA 1 66 ARG HB3 . . 4.960 4.419 4.215 4.680 . 0 0 "[ . 1 . 2]" 1
1569 1 65 ALA MB 1 66 ARG H . . 3.110 2.848 2.576 3.116 0.006 19 0 "[ . 1 . 2]" 1
1570 1 65 ALA MB 1 66 ARG HA . . 5.010 4.124 3.962 4.300 . 0 0 "[ . 1 . 2]" 1
1571 1 65 ALA MB 1 67 ILE H . . 5.500 5.028 4.884 5.235 . 0 0 "[ . 1 . 2]" 1
1572 1 65 ALA MB 1 67 ILE MD . . 3.910 3.295 3.046 3.567 . 0 0 "[ . 1 . 2]" 1
1573 1 66 ARG H 1 66 ARG HB2 . . 3.770 3.106 2.664 3.343 . 0 0 "[ . 1 . 2]" 1
1574 1 66 ARG H 1 66 ARG QB . . 3.000 2.368 2.277 2.484 . 0 0 "[ . 1 . 2]" 1
1575 1 66 ARG H 1 66 ARG HB3 . . 3.770 2.465 2.342 2.587 . 0 0 "[ . 1 . 2]" 1
1576 1 66 ARG H 1 66 ARG QD . . 4.560 4.403 3.712 4.575 0.015 19 0 "[ . 1 . 2]" 1
1577 1 66 ARG H 1 66 ARG HG2 . . 4.940 4.284 3.993 4.477 . 0 0 "[ . 1 . 2]" 1
1578 1 66 ARG H 1 66 ARG HG3 . . 4.940 4.733 4.526 4.853 . 0 0 "[ . 1 . 2]" 1
1579 1 66 ARG H 1 67 ILE H . . 4.510 4.445 4.365 4.552 0.042 4 0 "[ . 1 . 2]" 1
1580 1 66 ARG H 1 67 ILE HA . . 5.210 4.994 4.842 5.192 . 0 0 "[ . 1 . 2]" 1
1581 1 66 ARG HA 1 66 ARG HD2 . . 5.050 4.542 3.861 4.945 . 0 0 "[ . 1 . 2]" 1
1582 1 66 ARG HA 1 66 ARG QD . . 4.430 4.140 3.694 4.302 . 0 0 "[ . 1 . 2]" 1
1583 1 66 ARG HA 1 66 ARG HD3 . . 5.050 4.818 4.290 5.047 . 0 0 "[ . 1 . 2]" 1
1584 1 66 ARG HA 1 66 ARG HG2 . . 4.170 3.027 2.700 3.398 . 0 0 "[ . 1 . 2]" 1
1585 1 66 ARG HA 1 66 ARG QG . . 3.570 2.614 2.397 2.744 . 0 0 "[ . 1 . 2]" 1
1586 1 66 ARG HA 1 66 ARG HG3 . . 4.170 2.932 2.495 3.750 . 0 0 "[ . 1 . 2]" 1
1587 1 66 ARG HA 1 67 ILE H . . 2.990 2.180 2.145 2.246 . 0 0 "[ . 1 . 2]" 1
1588 1 66 ARG HA 1 67 ILE HB . . 5.060 4.883 4.769 4.960 . 0 0 "[ . 1 . 2]" 1
1589 1 66 ARG HA 1 67 ILE HG12 . . 4.960 3.351 3.200 3.459 . 0 0 "[ . 1 . 2]" 1
1590 1 66 ARG HA 1 67 ILE HG13 . . 5.230 5.092 4.939 5.215 . 0 0 "[ . 1 . 2]" 1
1591 1 66 ARG QB 1 66 ARG QD . . 2.890 2.165 2.052 2.698 . 0 0 "[ . 1 . 2]" 1
1592 1 66 ARG QB 1 67 ILE H . . 3.790 3.660 3.484 3.780 . 0 0 "[ . 1 . 2]" 1
1593 1 66 ARG HB2 1 67 ILE H . . 4.350 4.036 3.720 4.311 . 0 0 "[ . 1 . 2]" 1
1594 1 66 ARG HB3 1 67 ILE H . . 4.350 4.201 4.060 4.351 0.001 18 0 "[ . 1 . 2]" 1
1595 1 66 ARG QG 1 67 ILE H . . 3.550 2.565 2.204 2.877 . 0 0 "[ . 1 . 2]" 1
1596 1 66 ARG QG 1 67 ILE HB . . 4.860 4.432 4.224 4.668 . 0 0 "[ . 1 . 2]" 1
1597 1 66 ARG HG2 1 67 ILE H . . 4.120 2.758 2.217 3.373 . 0 0 "[ . 1 . 2]" 1
1598 1 66 ARG HG3 1 67 ILE H . . 4.120 3.260 2.776 3.971 . 0 0 "[ . 1 . 2]" 1
1599 1 67 ILE H 1 67 ILE HB . . 3.410 2.745 2.662 2.816 . 0 0 "[ . 1 . 2]" 1
1600 1 67 ILE H 1 67 ILE MD . . 4.430 3.261 3.034 3.539 . 0 0 "[ . 1 . 2]" 1
1601 1 67 ILE H 1 67 ILE HG12 . . 3.840 2.040 1.906 2.328 . 0 0 "[ . 1 . 2]" 1
1602 1 67 ILE H 1 67 ILE HG13 . . 3.790 3.545 3.365 3.717 . 0 0 "[ . 1 . 2]" 1
1603 1 67 ILE H 1 67 ILE MG . . 4.300 3.821 3.798 3.871 . 0 0 "[ . 1 . 2]" 1
1604 1 67 ILE H 1 68 ASP H . . 4.810 4.445 4.400 4.499 . 0 0 "[ . 1 . 2]" 1
1605 1 67 ILE HA 1 67 ILE MD . . 3.700 2.218 2.030 2.461 . 0 0 "[ . 1 . 2]" 1
1606 1 67 ILE HA 1 67 ILE HG12 . . 3.770 3.175 3.000 3.279 . 0 0 "[ . 1 . 2]" 1
1607 1 67 ILE HA 1 67 ILE HG13 . . 4.100 3.870 3.822 3.903 . 0 0 "[ . 1 . 2]" 1
1608 1 67 ILE HA 1 67 ILE MG . . 3.250 2.233 2.101 2.303 . 0 0 "[ . 1 . 2]" 1
1609 1 67 ILE HA 1 68 ASP H . . 2.720 2.144 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
1610 1 67 ILE HA 1 68 ASP HA . . 4.640 4.394 4.392 4.399 . 0 0 "[ . 1 . 2]" 1
1611 1 67 ILE HA 1 68 ASP QB . . 5.080 4.374 4.172 4.611 . 0 0 "[ . 1 . 2]" 1
1612 1 67 ILE HB 1 67 ILE MD . . 3.390 3.219 3.192 3.229 . 0 0 "[ . 1 . 2]" 1
1613 1 67 ILE HB 1 68 ASP H . . 4.310 4.052 3.927 4.110 . 0 0 "[ . 1 . 2]" 1
1614 1 67 ILE HB 1 70 LEU MD1 . . 3.340 2.483 2.234 2.846 . 0 0 "[ . 1 . 2]" 1
1615 1 67 ILE HB 1 70 LEU MD2 . . 4.430 3.838 3.395 4.177 . 0 0 "[ . 1 . 2]" 1
1616 1 67 ILE HB 1 70 LEU HG . . 4.800 4.135 3.927 4.429 . 0 0 "[ . 1 . 2]" 1
1617 1 67 ILE MD 1 68 ASP H . . 4.800 3.994 3.871 4.124 . 0 0 "[ . 1 . 2]" 1
1618 1 67 ILE MD 1 78 VAL MG1 . . 3.660 2.736 2.292 3.091 . 0 0 "[ . 1 . 2]" 1
1619 1 67 ILE MD 1 78 VAL MG2 . . 3.660 3.362 2.996 3.557 . 0 0 "[ . 1 . 2]" 1
1620 1 67 ILE HG12 1 67 ILE MG . . 3.220 3.192 3.173 3.202 . 0 0 "[ . 1 . 2]" 1
1621 1 67 ILE HG12 1 68 ASP H . . 5.300 5.134 5.015 5.219 . 0 0 "[ . 1 . 2]" 1
1622 1 67 ILE HG12 1 70 LEU MD1 . . 4.920 4.582 4.290 4.868 . 0 0 "[ . 1 . 2]" 1
1623 1 67 ILE HG13 1 67 ILE MG . . 3.470 2.443 2.318 2.531 . 0 0 "[ . 1 . 2]" 1
1624 1 67 ILE MG 1 68 ASP H . . 3.540 2.705 2.497 2.830 . 0 0 "[ . 1 . 2]" 1
1625 1 67 ILE MG 1 68 ASP HA . . 4.610 3.989 3.873 4.120 . 0 0 "[ . 1 . 2]" 1
1626 1 67 ILE MG 1 70 LEU HG . . 3.600 3.298 2.823 3.575 . 0 0 "[ . 1 . 2]" 1
1627 1 68 ASP H 1 68 ASP HB2 . . 3.800 3.526 2.411 3.799 . 0 0 "[ . 1 . 2]" 1
1628 1 68 ASP H 1 68 ASP QB . . 3.230 2.840 2.377 3.065 . 0 0 "[ . 1 . 2]" 1
1629 1 68 ASP H 1 68 ASP HB3 . . 3.800 3.171 2.777 3.785 . 0 0 "[ . 1 . 2]" 1
1630 1 68 ASP H 1 69 GLY H . . 4.530 4.476 4.428 4.515 . 0 0 "[ . 1 . 2]" 1
1631 1 68 ASP HA 1 69 GLY H . . 3.210 2.246 2.191 2.265 . 0 0 "[ . 1 . 2]" 1
1632 1 68 ASP HA 1 69 GLY QA . . 4.670 3.981 3.952 3.993 . 0 0 "[ . 1 . 2]" 1
1633 1 68 ASP HA 1 70 LEU H . . 4.130 3.871 3.537 4.102 . 0 0 "[ . 1 . 2]" 1
1634 1 68 ASP HA 1 70 LEU MD1 . . 4.890 3.981 3.742 4.166 . 0 0 "[ . 1 . 2]" 1
1635 1 68 ASP HA 1 70 LEU MD2 . . 4.910 4.740 4.518 4.893 . 0 0 "[ . 1 . 2]" 1
1636 1 68 ASP HA 1 70 LEU HG . . 4.400 3.599 3.481 3.747 . 0 0 "[ . 1 . 2]" 1
1637 1 68 ASP QB 1 69 GLY H . . 3.140 2.839 2.759 3.045 . 0 0 "[ . 1 . 2]" 1
1638 1 68 ASP QB 1 69 GLY QA . . 4.310 3.806 3.598 4.055 . 0 0 "[ . 1 . 2]" 1
1639 1 68 ASP QB 1 70 LEU H . . 5.170 4.835 4.535 5.064 . 0 0 "[ . 1 . 2]" 1
1640 1 69 GLY H 1 70 LEU H . . 3.290 2.192 1.952 2.385 . 0 0 "[ . 1 . 2]" 1
1641 1 69 GLY H 1 70 LEU HG . . 4.230 3.329 3.151 3.455 . 0 0 "[ . 1 . 2]" 1
1642 1 69 GLY QA 1 70 LEU HG . . 4.760 3.840 3.712 3.947 . 0 0 "[ . 1 . 2]" 1
1643 1 70 LEU H 1 70 LEU HB2 . . 3.100 2.821 2.723 2.944 . 0 0 "[ . 1 . 2]" 1
1644 1 70 LEU H 1 70 LEU HB3 . . 4.010 3.810 3.725 3.874 . 0 0 "[ . 1 . 2]" 1
1645 1 70 LEU H 1 70 LEU MD1 . . 4.060 3.805 3.566 4.048 . 0 0 "[ . 1 . 2]" 1
1646 1 70 LEU H 1 70 LEU MD2 . . 3.780 3.660 3.460 3.779 . 0 0 "[ . 1 . 2]" 1
1647 1 70 LEU H 1 70 LEU HG . . 3.290 2.579 2.252 2.754 . 0 0 "[ . 1 . 2]" 1
1648 1 70 LEU H 1 71 ARG H . . 4.580 4.453 4.413 4.521 . 0 0 "[ . 1 . 2]" 1
1649 1 70 LEU H 1 99 THR MG . . 4.920 4.641 4.457 4.818 . 0 0 "[ . 1 . 2]" 1
1650 1 70 LEU HA 1 70 LEU MD1 . . 4.170 3.979 3.936 4.015 . 0 0 "[ . 1 . 2]" 1
1651 1 70 LEU HA 1 70 LEU MD2 . . 2.930 2.274 2.067 2.524 . 0 0 "[ . 1 . 2]" 1
1652 1 70 LEU HA 1 70 LEU HG . . 4.080 3.234 3.179 3.337 . 0 0 "[ . 1 . 2]" 1
1653 1 70 LEU HA 1 71 ARG H . . 3.290 2.512 2.404 2.636 . 0 0 "[ . 1 . 2]" 1
1654 1 70 LEU HA 1 71 ARG HB2 . . 5.020 4.607 4.428 4.850 . 0 0 "[ . 1 . 2]" 1
1655 1 70 LEU HA 1 71 ARG QG . . 4.300 3.754 3.343 4.136 . 0 0 "[ . 1 . 2]" 1
1656 1 70 LEU HA 1 76 TYR QE . . 4.510 3.832 3.352 4.232 . 0 0 "[ . 1 . 2]" 1
1657 1 70 LEU HA 1 99 THR MG . . 5.120 4.802 4.696 4.976 . 0 0 "[ . 1 . 2]" 1
1658 1 70 LEU HB2 1 70 LEU MD1 . . 3.390 2.217 2.102 2.310 . 0 0 "[ . 1 . 2]" 1
1659 1 70 LEU HB2 1 71 ARG H . . 3.500 3.132 2.936 3.330 . 0 0 "[ . 1 . 2]" 1
1660 1 70 LEU HB2 1 76 TYR QE . . 4.260 3.770 3.396 4.260 . 0 0 "[ . 1 . 2]" 1
1661 1 70 LEU HB2 1 99 THR MG . . 3.840 2.491 2.258 2.638 . 0 0 "[ . 1 . 2]" 1
1662 1 70 LEU HB3 1 70 LEU MD1 . . 3.500 2.483 2.386 2.566 . 0 0 "[ . 1 . 2]" 1
1663 1 70 LEU HB3 1 70 LEU MD2 . . 3.450 2.248 2.110 2.372 . 0 0 "[ . 1 . 2]" 1
1664 1 70 LEU HB3 1 71 ARG H . . 3.220 2.324 2.102 2.523 . 0 0 "[ . 1 . 2]" 1
1665 1 70 LEU HB3 1 76 TYR QE . . 4.010 2.640 2.234 2.981 . 0 0 "[ . 1 . 2]" 1
1666 1 70 LEU HB3 1 99 THR MG . . 3.870 3.121 2.974 3.284 . 0 0 "[ . 1 . 2]" 1
1667 1 70 LEU MD1 1 71 ARG H . . 4.660 4.374 4.096 4.549 . 0 0 "[ . 1 . 2]" 1
1668 1 70 LEU MD1 1 76 TYR QD . . 4.070 3.078 2.616 3.479 . 0 0 "[ . 1 . 2]" 1
1669 1 70 LEU MD1 1 76 TYR QE . . 4.060 3.561 3.038 4.051 . 0 0 "[ . 1 . 2]" 1
1670 1 70 LEU MD1 1 99 THR MG . . 3.050 2.435 2.266 2.638 . 0 0 "[ . 1 . 2]" 1
1671 1 70 LEU MD2 1 71 ARG H . . 3.820 3.717 3.598 3.818 . 0 0 "[ . 1 . 2]" 1
1672 1 70 LEU MD2 1 76 TYR QE . . 3.630 2.815 2.317 3.231 . 0 0 "[ . 1 . 2]" 1
1673 1 70 LEU MD2 1 99 THR MG . . 4.210 4.157 4.054 4.211 0.001 16 0 "[ . 1 . 2]" 1
1674 1 71 ARG H 1 71 ARG HB2 . . 3.390 2.409 2.238 2.583 . 0 0 "[ . 1 . 2]" 1
1675 1 71 ARG H 1 71 ARG HG2 . . 4.130 3.218 2.500 4.082 . 0 0 "[ . 1 . 2]" 1
1676 1 71 ARG H 1 71 ARG QG . . 3.440 2.898 2.460 3.258 . 0 0 "[ . 1 . 2]" 1
1677 1 71 ARG H 1 71 ARG HG3 . . 4.130 3.648 3.152 4.061 . 0 0 "[ . 1 . 2]" 1
1678 1 71 ARG H 1 72 PRO HD3 . . 5.150 5.023 4.971 5.063 . 0 0 "[ . 1 . 2]" 1
1679 1 71 ARG H 1 74 MET QG . . 4.610 3.959 3.549 4.541 . 0 0 "[ . 1 . 2]" 1
1680 1 71 ARG H 1 76 TYR QE . . 3.870 2.881 2.605 3.245 . 0 0 "[ . 1 . 2]" 1
1681 1 71 ARG H 1 99 THR MG . . 4.170 3.863 3.453 4.153 . 0 0 "[ . 1 . 2]" 1
1682 1 71 ARG HA 1 71 ARG HG2 . . 4.120 2.574 2.201 2.896 . 0 0 "[ . 1 . 2]" 1
1683 1 71 ARG HA 1 71 ARG QG . . 3.510 2.515 2.165 2.812 . 0 0 "[ . 1 . 2]" 1
1684 1 71 ARG HA 1 71 ARG HG3 . . 4.120 3.544 2.942 3.828 . 0 0 "[ . 1 . 2]" 1
1685 1 71 ARG HA 1 72 PRO HD2 . . 3.060 2.372 2.260 2.442 . 0 0 "[ . 1 . 2]" 1
1686 1 71 ARG HA 1 72 PRO HD3 . . 3.030 2.290 2.259 2.315 . 0 0 "[ . 1 . 2]" 1
1687 1 71 ARG HA 1 72 PRO HG2 . . 4.650 4.490 4.399 4.546 . 0 0 "[ . 1 . 2]" 1
1688 1 71 ARG HA 1 72 PRO QG . . 4.090 3.984 3.917 4.028 . 0 0 "[ . 1 . 2]" 1
1689 1 71 ARG HA 1 72 PRO HG3 . . 4.650 4.455 4.395 4.497 . 0 0 "[ . 1 . 2]" 1
1690 1 71 ARG HB2 1 71 ARG QD . . 3.460 3.176 2.487 3.497 0.037 6 0 "[ . 1 . 2]" 1
1691 1 71 ARG HB2 1 72 PRO HD2 . . 4.090 3.709 3.582 3.983 . 0 0 "[ . 1 . 2]" 1
1692 1 71 ARG HB2 1 72 PRO HD3 . . 5.470 4.752 4.670 4.917 . 0 0 "[ . 1 . 2]" 1
1693 1 71 ARG HB2 1 74 MET QG . . 3.960 2.935 2.006 3.959 . 0 0 "[ . 1 . 2]" 1
1694 1 71 ARG HB3 1 71 ARG HD2 . . 3.830 2.570 2.164 3.578 . 0 0 "[ . 1 . 2]" 1
1695 1 71 ARG HB3 1 71 ARG QD . . 3.210 2.362 2.144 2.613 . 0 0 "[ . 1 . 2]" 1
1696 1 71 ARG HB3 1 71 ARG HD3 . . 3.830 3.112 2.339 3.650 . 0 0 "[ . 1 . 2]" 1
1697 1 71 ARG HB3 1 72 PRO HD2 . . 3.360 2.153 1.999 2.556 . 0 0 "[ . 1 . 2]" 1
1698 1 71 ARG QD 1 72 PRO HD2 . . 4.710 2.705 1.939 3.756 . 0 0 "[ . 1 . 2]" 1
1699 1 71 ARG QD 1 72 PRO HD3 . . 5.050 3.626 2.684 5.045 . 0 0 "[ . 1 . 2]" 1
1700 1 71 ARG QG 1 72 PRO HD2 . . 4.150 3.459 2.688 3.960 . 0 0 "[ . 1 . 2]" 1
1701 1 71 ARG QG 1 72 PRO HD3 . . 5.340 4.222 3.521 4.696 . 0 0 "[ . 1 . 2]" 1
1702 1 72 PRO HA 1 73 GLY H . . 2.980 2.175 2.156 2.226 . 0 0 "[ . 1 . 2]" 1
1703 1 72 PRO HA 1 73 GLY HA2 . . 4.690 4.409 4.397 4.423 . 0 0 "[ . 1 . 2]" 1
1704 1 72 PRO HA 1 73 GLY QA . . 4.090 3.941 3.922 3.974 . 0 0 "[ . 1 . 2]" 1
1705 1 72 PRO HA 1 73 GLY HA3 . . 4.690 4.439 4.408 4.500 . 0 0 "[ . 1 . 2]" 1
1706 1 72 PRO HA 1 74 MET H . . 4.120 3.919 3.649 4.108 . 0 0 "[ . 1 . 2]" 1
1707 1 72 PRO HA 1 99 THR HG1 . . 3.420 2.450 2.003 2.955 . 0 0 "[ . 1 . 2]" 1
1708 1 72 PRO HA 1 99 THR MG . . 4.140 3.668 3.389 3.946 . 0 0 "[ . 1 . 2]" 1
1709 1 72 PRO HA 1 100 LEU H . . 4.670 4.204 3.839 4.480 . 0 0 "[ . 1 . 2]" 1
1710 1 72 PRO HA 1 101 THR HA . . 4.740 4.550 3.772 4.743 0.003 14 0 "[ . 1 . 2]" 1
1711 1 72 PRO HB2 1 73 GLY H . . 3.790 3.421 3.149 3.591 . 0 0 "[ . 1 . 2]" 1
1712 1 72 PRO HB2 1 101 THR HA . . 3.850 3.569 2.629 3.852 0.002 18 0 "[ . 1 . 2]" 1
1713 1 72 PRO HB2 1 101 THR MG . . 5.450 4.903 4.399 5.289 . 0 0 "[ . 1 . 2]" 1
1714 1 72 PRO HB2 1 102 ASP H . . 5.500 3.476 3.026 4.761 . 0 0 "[ . 1 . 2]" 1
1715 1 72 PRO HB2 1 102 ASP QB . . 4.360 3.949 3.307 4.266 . 0 0 "[ . 1 . 2]" 1
1716 1 72 PRO HB3 1 73 GLY H . . 4.050 3.929 3.755 4.042 . 0 0 "[ . 1 . 2]" 1
1717 1 72 PRO HB3 1 99 THR HG1 . . 5.250 4.723 4.267 5.252 0.002 2 0 "[ . 1 . 2]" 1
1718 1 72 PRO HB3 1 101 THR HA . . 5.260 4.674 3.938 4.909 . 0 0 "[ . 1 . 2]" 1
1719 1 72 PRO HB3 1 102 ASP H . . 5.330 4.424 4.074 5.314 . 0 0 "[ . 1 . 2]" 1
1720 1 72 PRO HB3 1 102 ASP HB2 . . 5.500 4.955 4.037 5.487 . 0 0 "[ . 1 . 2]" 1
1721 1 72 PRO HB3 1 102 ASP HB3 . . 5.500 4.932 4.345 5.448 . 0 0 "[ . 1 . 2]" 1
1722 1 72 PRO QG 1 102 ASP QB . . 5.100 4.487 3.768 4.876 . 0 0 "[ . 1 . 2]" 1
1723 1 73 GLY H 1 74 MET H . . 3.330 2.657 2.383 2.931 . 0 0 "[ . 1 . 2]" 1
1724 1 73 GLY H 1 99 THR HA . . 5.300 4.830 4.652 5.055 . 0 0 "[ . 1 . 2]" 1
1725 1 73 GLY H 1 99 THR HG1 . . 3.440 2.514 1.902 2.920 . 0 0 "[ . 1 . 2]" 1
1726 1 73 GLY H 1 99 THR MG . . 4.280 4.030 3.734 4.279 . 0 0 "[ . 1 . 2]" 1
1727 1 73 GLY H 1 100 LEU H . . 4.870 4.095 3.788 4.244 . 0 0 "[ . 1 . 2]" 1
1728 1 73 GLY H 1 100 LEU HA . . 5.500 4.759 4.221 4.979 . 0 0 "[ . 1 . 2]" 1
1729 1 73 GLY H 1 101 THR HA . . 3.630 3.401 3.014 3.631 0.001 11 0 "[ . 1 . 2]" 1
1730 1 73 GLY H 1 101 THR HB . . 5.500 5.127 3.619 5.482 . 0 0 "[ . 1 . 2]" 1
1731 1 73 GLY H 1 101 THR MG . . 4.130 3.263 2.916 3.985 . 0 0 "[ . 1 . 2]" 1
1732 1 73 GLY HA2 1 101 THR HA . . 3.730 3.528 3.139 3.722 . 0 0 "[ . 1 . 2]" 1
1733 1 73 GLY HA2 1 101 THR HB . . 4.500 4.098 2.402 4.414 . 0 0 "[ . 1 . 2]" 1
1734 1 73 GLY HA2 1 101 THR MG . . 3.360 2.036 1.798 2.616 . 0 0 "[ . 1 . 2]" 1
1735 1 73 GLY HA3 1 101 THR HA . . 3.730 3.492 3.030 3.730 0.000 8 0 "[ . 1 . 2]" 1
1736 1 73 GLY HA3 1 101 THR HB . . 4.500 3.939 2.001 4.371 . 0 0 "[ . 1 . 2]" 1
1737 1 73 GLY HA3 1 101 THR MG . . 3.360 2.634 1.964 3.359 . 0 0 "[ . 1 . 2]" 1
1738 1 74 MET H 1 74 MET HB2 . . 3.850 2.885 2.541 3.376 . 0 0 "[ . 1 . 2]" 1
1739 1 74 MET H 1 74 MET QB . . 3.200 2.582 2.496 2.684 . 0 0 "[ . 1 . 2]" 1
1740 1 74 MET H 1 74 MET HB3 . . 3.850 3.312 2.611 3.804 . 0 0 "[ . 1 . 2]" 1
1741 1 74 MET H 1 74 MET ME . . 5.250 5.014 4.464 5.275 0.025 5 0 "[ . 1 . 2]" 1
1742 1 74 MET H 1 74 MET HG2 . . 4.820 4.138 3.513 4.833 0.013 13 0 "[ . 1 . 2]" 1
1743 1 74 MET H 1 74 MET QG . . 4.070 3.708 3.240 4.100 0.030 14 0 "[ . 1 . 2]" 1
1744 1 74 MET H 1 74 MET HG3 . . 4.820 4.394 3.458 4.790 . 0 0 "[ . 1 . 2]" 1
1745 1 74 MET H 1 76 TYR QE . . 4.070 3.835 3.585 4.072 0.002 2 0 "[ . 1 . 2]" 1
1746 1 74 MET H 1 99 THR H . . 3.650 2.660 2.431 2.972 . 0 0 "[ . 1 . 2]" 1
1747 1 74 MET H 1 99 THR HA . . 5.050 5.017 4.889 5.053 0.003 5 0 "[ . 1 . 2]" 1
1748 1 74 MET H 1 99 THR HG1 . . 3.050 2.367 1.898 2.832 . 0 0 "[ . 1 . 2]" 1
1749 1 74 MET H 1 99 THR MG . . 4.030 3.462 3.184 3.880 . 0 0 "[ . 1 . 2]" 1
1750 1 74 MET QB 1 75 VAL H . . 3.750 3.113 2.298 3.726 . 0 0 "[ . 1 . 2]" 1
1751 1 74 MET QB 1 75 VAL HA . . 5.190 4.477 4.075 4.885 . 0 0 "[ . 1 . 2]" 1
1752 1 74 MET HB2 1 75 VAL H . . 4.350 4.054 3.720 4.259 . 0 0 "[ . 1 . 2]" 1
1753 1 74 MET HB2 1 76 TYR QE . . 3.690 2.692 1.998 3.698 0.008 1 0 "[ . 1 . 2]" 1
1754 1 74 MET HB3 1 75 VAL H . . 4.350 3.327 2.320 4.163 . 0 0 "[ . 1 . 2]" 1
1755 1 74 MET HB3 1 76 TYR QE . . 3.690 2.190 1.992 2.602 . 0 0 "[ . 1 . 2]" 1
1756 1 74 MET ME 1 74 MET QG . . 3.510 2.267 1.984 2.439 . 0 0 "[ . 1 . 2]" 1
1757 1 74 MET ME 1 75 VAL H . . 4.080 2.942 1.833 4.034 . 0 0 "[ . 1 . 2]" 1
1758 1 74 MET ME 1 76 TYR QE . . 5.040 4.152 3.435 5.026 . 0 0 "[ . 1 . 2]" 1
1759 1 74 MET QG 1 75 VAL H . . 4.390 3.388 1.983 4.359 . 0 0 "[ . 1 . 2]" 1
1760 1 74 MET HG2 1 75 VAL H . . 5.040 4.208 3.187 4.847 . 0 0 "[ . 1 . 2]" 1
1761 1 74 MET HG2 1 76 TYR QE . . 4.460 3.713 2.538 4.464 0.004 5 0 "[ . 1 . 2]" 1
1762 1 74 MET HG3 1 75 VAL H . . 5.040 3.867 1.990 5.044 0.004 5 0 "[ . 1 . 2]" 1
1763 1 74 MET HG3 1 76 TYR QE . . 4.460 3.646 2.644 4.171 . 0 0 "[ . 1 . 2]" 1
1764 1 75 VAL H 1 75 VAL HB . . 3.030 2.588 2.487 2.717 . 0 0 "[ . 1 . 2]" 1
1765 1 75 VAL H 1 75 VAL MG1 . . 4.110 3.814 3.785 3.862 . 0 0 "[ . 1 . 2]" 1
1766 1 75 VAL H 1 75 VAL MG2 . . 3.260 2.462 2.096 2.805 . 0 0 "[ . 1 . 2]" 1
1767 1 75 VAL H 1 76 TYR H . . 4.780 4.510 4.404 4.588 . 0 0 "[ . 1 . 2]" 1
1768 1 75 VAL H 1 98 GLN QB . . 5.340 4.351 3.818 4.796 . 0 0 "[ . 1 . 2]" 1
1769 1 75 VAL HA 1 75 VAL MG1 . . 3.320 2.390 2.322 2.446 . 0 0 "[ . 1 . 2]" 1
1770 1 75 VAL HA 1 75 VAL MG2 . . 3.510 2.377 2.249 2.549 . 0 0 "[ . 1 . 2]" 1
1771 1 75 VAL HA 1 76 TYR H . . 2.940 2.180 2.148 2.209 . 0 0 "[ . 1 . 2]" 1
1772 1 75 VAL HA 1 76 TYR HB2 . . 4.780 4.449 4.332 4.535 . 0 0 "[ . 1 . 2]" 1
1773 1 75 VAL HA 1 76 TYR QD . . 4.390 3.362 2.955 3.635 . 0 0 "[ . 1 . 2]" 1
1774 1 75 VAL HA 1 96 CYS QB . . 5.150 4.707 4.498 5.073 . 0 0 "[ . 1 . 2]" 1
1775 1 75 VAL HA 1 98 GLN H . . 4.990 4.305 4.108 4.482 . 0 0 "[ . 1 . 2]" 1
1776 1 75 VAL HA 1 98 GLN HA . . 3.300 2.224 2.013 2.366 . 0 0 "[ . 1 . 2]" 1
1777 1 75 VAL HA 1 98 GLN QB . . 4.060 2.796 2.476 3.186 . 0 0 "[ . 1 . 2]" 1
1778 1 75 VAL HA 1 98 GLN QG . . 4.700 4.082 2.870 4.688 . 0 0 "[ . 1 . 2]" 1
1779 1 75 VAL HB 1 76 TYR H . . 4.570 4.028 3.915 4.121 . 0 0 "[ . 1 . 2]" 1
1780 1 75 VAL MG1 1 76 TYR H . . 3.480 2.289 2.040 2.579 . 0 0 "[ . 1 . 2]" 1
1781 1 75 VAL MG1 1 76 TYR QD . . 4.980 4.500 4.182 4.675 . 0 0 "[ . 1 . 2]" 1
1782 1 75 VAL MG1 1 77 VAL H . . 4.840 4.120 3.711 4.722 . 0 0 "[ . 1 . 2]" 1
1783 1 75 VAL MG1 1 96 CYS H . . 5.210 4.962 4.746 5.187 . 0 0 "[ . 1 . 2]" 1
1784 1 75 VAL MG1 1 96 CYS HA . . 3.880 3.236 2.815 3.699 . 0 0 "[ . 1 . 2]" 1
1785 1 75 VAL MG1 1 96 CYS HB2 . . 3.420 2.198 1.827 3.349 . 0 0 "[ . 1 . 2]" 1
1786 1 75 VAL MG1 1 96 CYS QB . . 2.920 2.014 1.812 2.336 . 0 0 "[ . 1 . 2]" 1
1787 1 75 VAL MG1 1 96 CYS HB3 . . 3.420 3.033 1.911 3.388 . 0 0 "[ . 1 . 2]" 1
1788 1 75 VAL MG1 1 97 PHE H . . 3.830 3.233 2.546 3.703 . 0 0 "[ . 1 . 2]" 1
1789 1 75 VAL MG1 1 98 GLN H . . 5.460 4.104 3.595 4.494 . 0 0 "[ . 1 . 2]" 1
1790 1 75 VAL MG1 1 98 GLN HA . . 4.430 3.736 3.165 4.047 . 0 0 "[ . 1 . 2]" 1
1791 1 75 VAL MG1 1 98 GLN QB . . 4.170 3.131 2.749 3.716 . 0 0 "[ . 1 . 2]" 1
1792 1 75 VAL MG1 1 98 GLN QG . . 4.590 4.333 3.926 4.593 0.003 17 0 "[ . 1 . 2]" 1
1793 1 75 VAL MG2 1 76 TYR H . . 4.320 4.025 3.856 4.211 . 0 0 "[ . 1 . 2]" 1
1794 1 75 VAL MG2 1 98 GLN H . . 5.080 4.388 4.107 4.738 . 0 0 "[ . 1 . 2]" 1
1795 1 75 VAL MG2 1 98 GLN HA . . 3.990 3.400 3.106 3.623 . 0 0 "[ . 1 . 2]" 1
1796 1 75 VAL MG2 1 98 GLN HB2 . . 3.680 2.624 1.986 3.201 . 0 0 "[ . 1 . 2]" 1
1797 1 75 VAL MG2 1 98 GLN QB . . 3.070 2.083 1.976 2.204 . 0 0 "[ . 1 . 2]" 1
1798 1 75 VAL MG2 1 98 GLN HB3 . . 3.680 2.670 2.028 3.676 . 0 0 "[ . 1 . 2]" 1
1799 1 75 VAL MG2 1 98 GLN HE21 . . 4.460 3.168 1.830 4.433 . 0 0 "[ . 1 . 2]" 1
1800 1 75 VAL MG2 1 98 GLN QE . . 3.880 2.982 1.796 3.871 . 0 0 "[ . 1 . 2]" 1
1801 1 75 VAL MG2 1 98 GLN HE22 . . 4.460 3.850 2.501 4.360 . 0 0 "[ . 1 . 2]" 1
1802 1 75 VAL MG2 1 98 GLN QG . . 3.970 3.412 2.399 3.939 . 0 0 "[ . 1 . 2]" 1
1803 1 75 VAL MG2 1 99 THR H . . 4.780 4.600 4.365 4.783 0.003 13 0 "[ . 1 . 2]" 1
1804 1 76 TYR H 1 76 TYR HB2 . . 3.570 2.670 2.578 2.723 . 0 0 "[ . 1 . 2]" 1
1805 1 76 TYR H 1 76 TYR HB3 . . 3.970 3.794 3.742 3.827 . 0 0 "[ . 1 . 2]" 1
1806 1 76 TYR H 1 76 TYR QD . . 3.730 2.924 2.664 3.194 . 0 0 "[ . 1 . 2]" 1
1807 1 76 TYR H 1 77 VAL H . . 4.800 4.258 4.093 4.447 . 0 0 "[ . 1 . 2]" 1
1808 1 76 TYR H 1 96 CYS HA . . 4.870 4.321 4.151 4.596 . 0 0 "[ . 1 . 2]" 1
1809 1 76 TYR H 1 97 PHE H . . 3.790 3.123 2.761 3.368 . 0 0 "[ . 1 . 2]" 1
1810 1 76 TYR H 1 98 GLN H . . 5.350 4.733 4.533 4.997 . 0 0 "[ . 1 . 2]" 1
1811 1 76 TYR H 1 98 GLN HA . . 3.900 3.256 3.015 3.555 . 0 0 "[ . 1 . 2]" 1
1812 1 76 TYR H 1 99 THR H . . 5.290 5.106 4.798 5.277 . 0 0 "[ . 1 . 2]" 1
1813 1 76 TYR HB2 1 77 VAL H . . 4.540 4.251 4.053 4.401 . 0 0 "[ . 1 . 2]" 1
1814 1 76 TYR HB2 1 78 VAL QG . . 3.700 3.204 3.075 3.402 . 0 0 "[ . 1 . 2]" 1
1815 1 76 TYR HB3 1 77 VAL H . . 3.940 3.315 2.981 3.609 . 0 0 "[ . 1 . 2]" 1
1816 1 76 TYR HB3 1 77 VAL HA . . 5.500 4.892 4.684 5.058 . 0 0 "[ . 1 . 2]" 1
1817 1 76 TYR HB3 1 78 VAL QG . . 3.640 3.056 2.807 3.347 . 0 0 "[ . 1 . 2]" 1
1818 1 76 TYR QD 1 77 VAL H . . 4.650 4.217 3.816 4.586 . 0 0 "[ . 1 . 2]" 1
1819 1 76 TYR QD 1 78 VAL QG . . 5.320 4.393 4.138 4.573 . 0 0 "[ . 1 . 2]" 1
1820 1 76 TYR QD 1 97 PHE H . . 5.500 5.458 5.327 5.505 0.005 11 0 "[ . 1 . 2]" 1
1821 1 76 TYR QD 1 98 GLN HA . . 4.180 3.526 3.160 4.007 . 0 0 "[ . 1 . 2]" 1
1822 1 76 TYR QD 1 99 THR H . . 4.310 3.949 3.540 4.308 . 0 0 "[ . 1 . 2]" 1
1823 1 76 TYR QE 1 99 THR HG1 . . 4.270 3.669 3.053 4.139 . 0 0 "[ . 1 . 2]" 1
1824 1 76 TYR QE 1 99 THR MG . . 3.380 2.873 2.409 3.382 0.002 5 0 "[ . 1 . 2]" 1
1825 1 77 VAL H 1 77 VAL HB . . 3.290 2.547 2.440 2.654 . 0 0 "[ . 1 . 2]" 1
1826 1 77 VAL H 1 77 VAL QG . . 3.360 2.195 1.998 2.427 . 0 0 "[ . 1 . 2]" 1
1827 1 77 VAL H 1 78 VAL QG . . 5.030 4.217 4.049 4.427 . 0 0 "[ . 1 . 2]" 1
1828 1 77 VAL HA 1 77 VAL MG1 . . 3.510 2.335 2.174 2.447 . 0 0 "[ . 1 . 2]" 1
1829 1 77 VAL HA 1 77 VAL QG . . 3.010 2.108 2.049 2.175 . 0 0 "[ . 1 . 2]" 1
1830 1 77 VAL HA 1 77 VAL MG2 . . 3.510 2.410 2.308 2.505 . 0 0 "[ . 1 . 2]" 1
1831 1 77 VAL HA 1 78 VAL H . . 2.940 2.194 2.149 2.221 . 0 0 "[ . 1 . 2]" 1
1832 1 77 VAL HA 1 78 VAL HB . . 4.830 4.772 4.677 4.830 0.000 5 0 "[ . 1 . 2]" 1
1833 1 77 VAL HA 1 95 MET H . . 4.830 4.438 3.650 4.642 . 0 0 "[ . 1 . 2]" 1
1834 1 77 VAL HA 1 96 CYS HA . . 3.530 2.634 2.061 3.069 . 0 0 "[ . 1 . 2]" 1
1835 1 77 VAL HA 1 96 CYS HB2 . . 5.500 4.695 3.685 5.410 . 0 0 "[ . 1 . 2]" 1
1836 1 77 VAL HA 1 96 CYS HB3 . . 5.500 4.236 3.601 4.819 . 0 0 "[ . 1 . 2]" 1
1837 1 77 VAL HA 1 97 PHE H . . 3.970 3.594 3.313 3.943 . 0 0 "[ . 1 . 2]" 1
1838 1 77 VAL QG 1 78 VAL H . . 3.360 3.074 2.867 3.250 . 0 0 "[ . 1 . 2]" 1
1839 1 77 VAL QG 1 78 VAL HA . . 4.930 3.910 3.754 4.038 . 0 0 "[ . 1 . 2]" 1
1840 1 77 VAL QG 1 79 GLN QG . . 3.980 2.797 2.449 3.259 . 0 0 "[ . 1 . 2]" 1
1841 1 77 VAL QG 1 94 LYS HA . . 3.950 3.567 2.748 3.847 . 0 0 "[ . 1 . 2]" 1
1842 1 77 VAL QG 1 94 LYS QB . . 3.630 2.977 1.952 3.625 . 0 0 "[ . 1 . 2]" 1
1843 1 77 VAL QG 1 94 LYS QD . . 3.560 2.760 1.786 3.562 0.002 11 0 "[ . 1 . 2]" 1
1844 1 77 VAL QG 1 94 LYS QE . . 3.670 3.049 1.752 3.589 . 0 0 "[ . 1 . 2]" 1
1845 1 77 VAL QG 1 94 LYS QG . . 2.950 2.602 1.825 2.951 0.001 2 0 "[ . 1 . 2]" 1
1846 1 77 VAL QG 1 95 MET H . . 3.760 3.049 2.073 3.488 . 0 0 "[ . 1 . 2]" 1
1847 1 77 VAL QG 1 96 CYS HA . . 4.320 3.148 2.778 3.451 . 0 0 "[ . 1 . 2]" 1
1848 1 77 VAL QG 1 96 CYS QB . . 4.250 3.063 2.615 3.720 . 0 0 "[ . 1 . 2]" 1
1849 1 77 VAL QG 1 97 PHE H . . 4.710 4.340 4.032 4.598 . 0 0 "[ . 1 . 2]" 1
1850 1 77 VAL MG1 1 96 CYS HA . . 4.940 3.917 3.497 4.316 . 0 0 "[ . 1 . 2]" 1
1851 1 77 VAL MG2 1 96 CYS HA . . 4.940 3.328 2.877 3.656 . 0 0 "[ . 1 . 2]" 1
1852 1 78 VAL H 1 78 VAL HB . . 3.650 2.591 2.515 2.667 . 0 0 "[ . 1 . 2]" 1
1853 1 78 VAL H 1 78 VAL MG1 . . 4.320 3.823 3.793 3.862 . 0 0 "[ . 1 . 2]" 1
1854 1 78 VAL H 1 78 VAL QG . . 3.490 2.469 2.277 2.635 . 0 0 "[ . 1 . 2]" 1
1855 1 78 VAL H 1 78 VAL MG2 . . 4.320 2.501 2.295 2.687 . 0 0 "[ . 1 . 2]" 1
1856 1 78 VAL H 1 95 MET H . . 4.360 4.174 3.804 4.370 0.010 14 0 "[ . 1 . 2]" 1
1857 1 78 VAL H 1 96 CYS HA . . 4.020 3.622 3.036 4.020 . 0 0 "[ . 1 . 2]" 1
1858 1 78 VAL H 1 97 PHE H . . 4.870 3.695 3.209 4.146 . 0 0 "[ . 1 . 2]" 1
1859 1 78 VAL H 1 97 PHE QD . . 4.590 2.928 2.606 3.322 . 0 0 "[ . 1 . 2]" 1
1860 1 78 VAL H 1 97 PHE QE . . 5.280 3.744 2.927 4.572 . 0 0 "[ . 1 . 2]" 1
1861 1 78 VAL HA 1 78 VAL MG1 . . 3.430 2.341 2.224 2.454 . 0 0 "[ . 1 . 2]" 1
1862 1 78 VAL HA 1 78 VAL MG2 . . 3.430 2.378 2.263 2.483 . 0 0 "[ . 1 . 2]" 1
1863 1 78 VAL HA 1 79 GLN H . . 2.890 2.236 2.167 2.323 . 0 0 "[ . 1 . 2]" 1
1864 1 78 VAL HB 1 79 GLN H . . 4.520 3.875 3.647 4.104 . 0 0 "[ . 1 . 2]" 1
1865 1 78 VAL HB 1 97 PHE QD . . 3.460 2.468 2.070 2.891 . 0 0 "[ . 1 . 2]" 1
1866 1 78 VAL HB 1 97 PHE QE . . 3.620 2.725 2.060 3.287 . 0 0 "[ . 1 . 2]" 1
1867 1 78 VAL QG 1 79 GLN H . . 3.210 2.101 1.882 2.332 . 0 0 "[ . 1 . 2]" 1
1868 1 78 VAL QG 1 79 GLN HA . . 4.510 3.445 3.297 3.629 . 0 0 "[ . 1 . 2]" 1
1869 1 78 VAL QG 1 80 VAL HB . . 5.300 4.166 3.971 4.329 . 0 0 "[ . 1 . 2]" 1
1870 1 78 VAL QG 1 80 VAL QG . . 5.380 4.254 4.047 4.385 . 0 0 "[ . 1 . 2]" 1
1871 1 78 VAL QG 1 97 PHE H . . 4.330 3.835 3.486 4.133 . 0 0 "[ . 1 . 2]" 1
1872 1 78 VAL QG 1 97 PHE HB2 . . 3.870 3.132 2.707 3.466 . 0 0 "[ . 1 . 2]" 1
1873 1 78 VAL QG 1 97 PHE HB3 . . 4.840 4.477 3.990 4.841 0.001 19 0 "[ . 1 . 2]" 1
1874 1 78 VAL QG 1 97 PHE QD . . 3.080 2.470 2.130 2.845 . 0 0 "[ . 1 . 2]" 1
1875 1 78 VAL QG 1 97 PHE QE . . 3.900 3.466 3.015 3.790 . 0 0 "[ . 1 . 2]" 1
1876 1 78 VAL MG1 1 79 GLN H . . 4.000 2.109 1.885 2.347 . 0 0 "[ . 1 . 2]" 1
1877 1 78 VAL MG1 1 97 PHE QD . . 4.500 3.960 3.601 4.323 . 0 0 "[ . 1 . 2]" 1
1878 1 78 VAL MG1 1 97 PHE QE . . 4.560 3.825 3.254 4.293 . 0 0 "[ . 1 . 2]" 1
1879 1 78 VAL MG2 1 79 GLN H . . 4.000 3.952 3.867 4.001 0.001 9 0 "[ . 1 . 2]" 1
1880 1 78 VAL MG2 1 97 PHE QD . . 4.500 2.499 2.146 2.915 . 0 0 "[ . 1 . 2]" 1
1881 1 78 VAL MG2 1 97 PHE QE . . 4.560 3.979 3.563 4.398 . 0 0 "[ . 1 . 2]" 1
1882 1 79 GLN H 1 79 GLN QB . . 3.490 2.663 2.477 2.832 . 0 0 "[ . 1 . 2]" 1
1883 1 79 GLN H 1 79 GLN QG . . 4.160 3.287 2.712 3.646 . 0 0 "[ . 1 . 2]" 1
1884 1 79 GLN HA 1 80 VAL H . . 3.280 2.388 2.177 2.594 . 0 0 "[ . 1 . 2]" 1
1885 1 79 GLN HA 1 80 VAL QG . . 4.500 3.770 3.589 3.938 . 0 0 "[ . 1 . 2]" 1
1886 1 79 GLN HA 1 92 SER H . . 4.810 4.548 4.268 4.801 . 0 0 "[ . 1 . 2]" 1
1887 1 79 GLN HA 1 92 SER HG . . 4.230 3.563 2.714 4.199 . 0 0 "[ . 1 . 2]" 1
1888 1 79 GLN HA 1 94 LYS HA . . 4.990 4.248 3.216 4.821 . 0 0 "[ . 1 . 2]" 1
1889 1 79 GLN QB 1 79 GLN QE . . 4.010 2.697 2.065 3.211 . 0 0 "[ . 1 . 2]" 1
1890 1 79 GLN QB 1 80 VAL H . . 3.690 2.491 2.018 3.031 . 0 0 "[ . 1 . 2]" 1
1891 1 79 GLN QB 1 91 PHE HB2 . . 4.090 3.899 3.475 4.080 . 0 0 "[ . 1 . 2]" 1
1892 1 79 GLN QB 1 91 PHE HB3 . . 3.690 2.445 2.044 2.621 . 0 0 "[ . 1 . 2]" 1
1893 1 79 GLN QB 1 91 PHE QD . . 3.570 2.347 2.004 2.756 . 0 0 "[ . 1 . 2]" 1
1894 1 79 GLN QB 1 92 SER H . . 4.340 3.426 3.113 3.788 . 0 0 "[ . 1 . 2]" 1
1895 1 79 GLN HB2 1 80 VAL H . . 4.250 3.762 3.222 4.143 . 0 0 "[ . 1 . 2]" 1
1896 1 79 GLN HB2 1 91 PHE HB3 . . 4.250 3.785 3.398 4.033 . 0 0 "[ . 1 . 2]" 1
1897 1 79 GLN HB2 1 91 PHE QD . . 4.140 3.334 2.833 3.862 . 0 0 "[ . 1 . 2]" 1
1898 1 79 GLN HB3 1 80 VAL H . . 4.250 2.532 2.034 3.122 . 0 0 "[ . 1 . 2]" 1
1899 1 79 GLN HB3 1 91 PHE HB3 . . 4.250 2.478 2.058 2.656 . 0 0 "[ . 1 . 2]" 1
1900 1 79 GLN HB3 1 91 PHE QD . . 4.140 2.415 2.024 2.914 . 0 0 "[ . 1 . 2]" 1
1901 1 79 GLN QE 1 94 LYS HA . . 4.710 3.587 2.388 4.657 . 0 0 "[ . 1 . 2]" 1
1902 1 79 GLN QE 1 94 LYS QE . . 4.180 3.150 2.018 3.840 . 0 0 "[ . 1 . 2]" 1
1903 1 79 GLN QE 1 94 LYS QG . . 4.230 2.947 1.905 4.227 . 0 0 "[ . 1 . 2]" 1
1904 1 79 GLN HE21 1 91 PHE HB2 . . 4.620 3.557 2.868 4.621 0.001 17 0 "[ . 1 . 2]" 1
1905 1 79 GLN HE21 1 91 PHE HB3 . . 4.590 2.752 1.941 4.359 . 0 0 "[ . 1 . 2]" 1
1906 1 79 GLN HE22 1 91 PHE HB2 . . 4.620 3.503 2.848 4.513 . 0 0 "[ . 1 . 2]" 1
1907 1 79 GLN HE22 1 91 PHE HB3 . . 4.590 3.334 2.656 3.882 . 0 0 "[ . 1 . 2]" 1
1908 1 79 GLN QG 1 92 SER H . . 5.340 4.498 3.665 5.119 . 0 0 "[ . 1 . 2]" 1
1909 1 79 GLN QG 1 94 LYS HA . . 3.600 2.366 1.949 3.029 . 0 0 "[ . 1 . 2]" 1
1910 1 79 GLN QG 1 95 MET H . . 4.220 3.167 2.665 3.442 . 0 0 "[ . 1 . 2]" 1
1911 1 79 GLN HG2 1 94 LYS HA . . 4.350 2.485 1.998 3.248 . 0 0 "[ . 1 . 2]" 1
1912 1 79 GLN HG3 1 94 LYS HA . . 4.350 3.266 2.202 3.867 . 0 0 "[ . 1 . 2]" 1
1913 1 80 VAL H 1 80 VAL HB . . 4.070 3.169 2.928 3.374 . 0 0 "[ . 1 . 2]" 1
1914 1 80 VAL H 1 80 VAL MG1 . . 4.640 2.317 2.010 2.536 . 0 0 "[ . 1 . 2]" 1
1915 1 80 VAL H 1 80 VAL QG . . 3.440 2.301 2.004 2.511 . 0 0 "[ . 1 . 2]" 1
1916 1 80 VAL H 1 80 VAL MG2 . . 4.640 3.945 3.868 4.027 . 0 0 "[ . 1 . 2]" 1
1917 1 80 VAL H 1 91 PHE HA . . 5.310 4.183 3.706 4.822 . 0 0 "[ . 1 . 2]" 1
1918 1 80 VAL H 1 91 PHE QD . . 4.390 2.922 2.357 3.421 . 0 0 "[ . 1 . 2]" 1
1919 1 80 VAL H 1 92 SER H . . 3.860 2.772 2.391 3.246 . 0 0 "[ . 1 . 2]" 1
1920 1 80 VAL H 1 92 SER HB2 . . 4.820 4.687 4.438 4.824 0.004 10 0 "[ . 1 . 2]" 1
1921 1 80 VAL H 1 92 SER HB3 . . 4.380 3.858 3.484 4.326 . 0 0 "[ . 1 . 2]" 1
1922 1 80 VAL H 1 92 SER HG . . 3.790 2.621 1.910 3.476 . 0 0 "[ . 1 . 2]" 1
1923 1 80 VAL HA 1 81 ARG H . . 3.040 2.232 2.178 2.299 . 0 0 "[ . 1 . 2]" 1
1924 1 80 VAL HA 1 91 PHE QD . . 4.490 3.339 2.878 3.604 . 0 0 "[ . 1 . 2]" 1
1925 1 80 VAL HA 1 91 PHE QE . . 4.520 3.318 2.895 3.756 . 0 0 "[ . 1 . 2]" 1
1926 1 80 VAL HB 1 81 ARG H . . 4.380 4.069 3.976 4.233 . 0 0 "[ . 1 . 2]" 1
1927 1 80 VAL QG 1 81 ARG H . . 3.190 2.025 1.880 2.165 . 0 0 "[ . 1 . 2]" 1
1928 1 80 VAL QG 1 81 ARG HA . . 5.430 3.268 3.149 3.358 . 0 0 "[ . 1 . 2]" 1
1929 1 80 VAL QG 1 92 SER H . . 4.840 3.052 2.619 3.447 . 0 0 "[ . 1 . 2]" 1
1930 1 80 VAL QG 1 92 SER HB2 . . 4.130 3.384 3.107 3.953 . 0 0 "[ . 1 . 2]" 1
1931 1 80 VAL QG 1 92 SER HB3 . . 3.830 2.411 1.983 3.021 . 0 0 "[ . 1 . 2]" 1
1932 1 80 VAL QG 1 92 SER HG . . 4.580 2.382 1.935 3.147 . 0 0 "[ . 1 . 2]" 1
1933 1 80 VAL MG1 1 81 ARG H . . 4.300 3.677 3.475 3.837 . 0 0 "[ . 1 . 2]" 1
1934 1 80 VAL MG2 1 81 ARG H . . 4.300 2.035 1.887 2.184 . 0 0 "[ . 1 . 2]" 1
1935 1 81 ARG H 1 81 ARG HB3 . . 4.070 3.195 3.021 3.257 . 0 0 "[ . 1 . 2]" 1
1936 1 81 ARG H 1 81 ARG QG . . 3.350 2.448 2.351 2.571 . 0 0 "[ . 1 . 2]" 1
1937 1 81 ARG H 1 82 ALA H . . 4.930 4.438 4.409 4.467 . 0 0 "[ . 1 . 2]" 1
1938 1 81 ARG H 1 91 PHE QE . . 4.120 3.608 3.188 3.993 . 0 0 "[ . 1 . 2]" 1
1939 1 81 ARG HA 1 82 ALA H . . 3.380 2.420 2.383 2.433 . 0 0 "[ . 1 . 2]" 1
1940 1 81 ARG HA 1 82 ALA MB . . 4.270 3.879 3.828 3.967 . 0 0 "[ . 1 . 2]" 1
1941 1 81 ARG HA 1 89 GLY H . . 5.500 5.470 5.398 5.501 0.001 13 0 "[ . 1 . 2]" 1
1942 1 81 ARG HB2 1 82 ALA H . . 4.090 2.423 2.377 2.487 . 0 0 "[ . 1 . 2]" 1
1943 1 81 ARG HB2 1 88 TYR QD . . 4.940 4.694 4.468 4.926 . 0 0 "[ . 1 . 2]" 1
1944 1 81 ARG HB2 1 89 GLY H . . 4.450 3.524 3.318 3.726 . 0 0 "[ . 1 . 2]" 1
1945 1 81 ARG HB2 1 91 PHE HA . . 4.080 3.482 3.141 3.731 . 0 0 "[ . 1 . 2]" 1
1946 1 81 ARG HB2 1 92 SER H . . 5.500 5.286 4.898 5.510 0.010 17 0 "[ . 1 . 2]" 1
1947 1 81 ARG HB3 1 82 ALA H . . 4.150 3.792 3.731 3.873 . 0 0 "[ . 1 . 2]" 1
1948 1 81 ARG HB3 1 82 ALA MB . . 5.500 5.490 5.435 5.546 0.046 10 0 "[ . 1 . 2]" 1
1949 1 81 ARG HB3 1 91 PHE HA . . 3.750 2.392 2.193 2.691 . 0 0 "[ . 1 . 2]" 1
1950 1 81 ARG HB3 1 91 PHE QD . . 4.150 2.709 2.377 3.037 . 0 0 "[ . 1 . 2]" 1
1951 1 81 ARG HB3 1 91 PHE QE . . 4.720 3.280 2.880 3.599 . 0 0 "[ . 1 . 2]" 1
1952 1 81 ARG HB3 1 91 PHE HZ . . 5.500 4.484 3.973 4.811 . 0 0 "[ . 1 . 2]" 1
1953 1 81 ARG HB3 1 92 SER H . . 4.410 4.170 3.767 4.411 0.001 1 0 "[ . 1 . 2]" 1
1954 1 81 ARG QD 1 88 TYR HB2 . . 4.650 4.207 3.779 4.522 . 0 0 "[ . 1 . 2]" 1
1955 1 81 ARG QD 1 88 TYR HB3 . . 3.720 2.639 2.182 2.984 . 0 0 "[ . 1 . 2]" 1
1956 1 81 ARG QD 1 88 TYR QE . . 4.980 3.908 3.146 4.548 . 0 0 "[ . 1 . 2]" 1
1957 1 81 ARG QD 1 89 GLY H . . 4.270 2.858 2.493 3.258 . 0 0 "[ . 1 . 2]" 1
1958 1 81 ARG QD 1 91 PHE QE . . 4.510 3.667 2.988 4.412 . 0 0 "[ . 1 . 2]" 1
1959 1 81 ARG QD 1 91 PHE HZ . . 5.340 3.894 3.147 4.720 . 0 0 "[ . 1 . 2]" 1
1960 1 81 ARG HD2 1 88 TYR HB2 . . 5.430 4.608 3.973 5.326 . 0 0 "[ . 1 . 2]" 1
1961 1 81 ARG HD2 1 88 TYR HB3 . . 4.430 2.911 2.223 3.747 . 0 0 "[ . 1 . 2]" 1
1962 1 81 ARG HD2 1 88 TYR QD . . 4.380 2.159 2.000 2.636 . 0 0 "[ . 1 . 2]" 1
1963 1 81 ARG HD2 1 89 GLY H . . 4.890 3.202 2.522 4.177 . 0 0 "[ . 1 . 2]" 1
1964 1 81 ARG HD3 1 88 TYR HB2 . . 5.430 5.011 4.531 5.439 0.009 10 0 "[ . 1 . 2]" 1
1965 1 81 ARG HD3 1 88 TYR HB3 . . 4.430 3.329 2.842 3.871 . 0 0 "[ . 1 . 2]" 1
1966 1 81 ARG HD3 1 88 TYR QD . . 4.380 3.323 2.574 3.886 . 0 0 "[ . 1 . 2]" 1
1967 1 81 ARG HD3 1 89 GLY H . . 4.890 3.813 2.877 4.884 . 0 0 "[ . 1 . 2]" 1
1968 1 81 ARG HE 1 81 ARG QG . . 3.380 2.355 2.174 2.969 . 0 0 "[ . 1 . 2]" 1
1969 1 81 ARG HE 1 88 TYR QD . . 4.510 3.195 1.923 4.410 . 0 0 "[ . 1 . 2]" 1
1970 1 81 ARG HE 1 88 TYR QE . . 5.370 3.981 2.902 5.346 . 0 0 "[ . 1 . 2]" 1
1971 1 81 ARG HE 1 91 PHE QE . . 4.660 3.520 2.556 4.676 0.016 10 0 "[ . 1 . 2]" 1
1972 1 81 ARG HE 1 91 PHE HZ . . 4.360 3.204 2.037 4.369 0.009 17 0 "[ . 1 . 2]" 1
1973 1 81 ARG QG 1 88 TYR QD . . 4.690 3.487 2.483 3.827 . 0 0 "[ . 1 . 2]" 1
1974 1 81 ARG QG 1 91 PHE HA . . 4.610 4.309 4.127 4.562 . 0 0 "[ . 1 . 2]" 1
1975 1 81 ARG QG 1 91 PHE QD . . 4.270 3.610 3.247 4.286 0.016 10 0 "[ . 1 . 2]" 1
1976 1 81 ARG QG 1 91 PHE QE . . 4.130 2.595 2.186 3.511 . 0 0 "[ . 1 . 2]" 1
1977 1 81 ARG QG 1 91 PHE HZ . . 4.630 3.611 3.212 4.128 . 0 0 "[ . 1 . 2]" 1
1978 1 82 ALA H 1 82 ALA MB . . 3.380 2.285 2.224 2.366 . 0 0 "[ . 1 . 2]" 1
1979 1 82 ALA H 1 83 ARG HB2 . . 5.500 5.478 5.385 5.510 0.010 17 0 "[ . 1 . 2]" 1
1980 1 82 ALA MB 1 83 ARG H . . 3.560 3.143 2.951 3.318 . 0 0 "[ . 1 . 2]" 1
1981 1 82 ALA MB 1 84 THR MG . . 4.180 3.316 3.141 3.456 . 0 0 "[ . 1 . 2]" 1
1982 1 82 ALA MB 1 89 GLY H . . 4.600 4.222 3.951 4.537 . 0 0 "[ . 1 . 2]" 1
1983 1 83 ARG H 1 83 ARG HB2 . . 3.700 2.983 2.832 3.148 . 0 0 "[ . 1 . 2]" 1
1984 1 83 ARG H 1 83 ARG HB3 . . 3.670 2.611 2.535 2.726 . 0 0 "[ . 1 . 2]" 1
1985 1 83 ARG H 1 83 ARG HG2 . . 4.850 4.441 4.353 4.566 . 0 0 "[ . 1 . 2]" 1
1986 1 83 ARG H 1 84 THR MG . . 5.500 3.947 3.678 4.215 . 0 0 "[ . 1 . 2]" 1
1987 1 83 ARG HB2 1 83 ARG HE . . 4.640 3.952 2.106 4.645 0.005 4 0 "[ . 1 . 2]" 1
1988 1 83 ARG HB2 1 84 THR H . . 4.720 4.143 3.968 4.288 . 0 0 "[ . 1 . 2]" 1
1989 1 83 ARG HB2 1 88 TYR HB3 . . 4.800 4.587 3.941 4.791 . 0 0 "[ . 1 . 2]" 1
1990 1 83 ARG HB2 1 88 TYR QD . . 3.550 2.929 2.451 3.453 . 0 0 "[ . 1 . 2]" 1
1991 1 83 ARG HB2 1 88 TYR QE . . 3.910 3.353 2.878 3.717 . 0 0 "[ . 1 . 2]" 1
1992 1 83 ARG HB2 1 89 GLY H . . 4.580 3.912 3.623 4.339 . 0 0 "[ . 1 . 2]" 1
1993 1 83 ARG HB3 1 83 ARG HE . . 4.320 3.280 2.070 4.248 . 0 0 "[ . 1 . 2]" 1
1994 1 83 ARG HB3 1 84 THR H . . 4.350 4.049 3.835 4.329 . 0 0 "[ . 1 . 2]" 1
1995 1 83 ARG HB3 1 88 TYR QD . . 5.500 4.545 3.971 4.972 . 0 0 "[ . 1 . 2]" 1
1996 1 83 ARG HB3 1 88 TYR QE . . 4.900 4.362 3.543 4.843 . 0 0 "[ . 1 . 2]" 1
1997 1 83 ARG QD 1 88 TYR QE . . 4.180 2.698 2.119 3.956 . 0 0 "[ . 1 . 2]" 1
1998 1 83 ARG HE 1 88 TYR QE . . 5.050 4.085 1.902 4.968 . 0 0 "[ . 1 . 2]" 1
1999 1 83 ARG HG2 1 84 THR H . . 4.450 2.561 2.145 3.016 . 0 0 "[ . 1 . 2]" 1
2000 1 83 ARG HG2 1 87 GLY H . . 5.170 4.583 3.712 5.166 . 0 0 "[ . 1 . 2]" 1
2001 1 83 ARG HG2 1 88 TYR QE . . 5.150 4.534 4.029 5.119 . 0 0 "[ . 1 . 2]" 1
2002 1 83 ARG HG3 1 84 THR H . . 3.870 3.306 2.602 3.864 . 0 0 "[ . 1 . 2]" 1
2003 1 83 ARG HG3 1 87 GLY H . . 5.410 5.011 4.205 5.363 . 0 0 "[ . 1 . 2]" 1
2004 1 83 ARG HG3 1 88 TYR QE . . 4.410 3.429 2.775 4.375 . 0 0 "[ . 1 . 2]" 1
2005 1 84 THR H 1 84 THR MG . . 3.620 2.932 2.643 3.172 . 0 0 "[ . 1 . 2]" 1
2006 1 84 THR H 1 86 ALA H . . 4.440 4.064 3.716 4.406 . 0 0 "[ . 1 . 2]" 1
2007 1 84 THR H 1 86 ALA MB . . 4.850 4.502 4.326 4.688 . 0 0 "[ . 1 . 2]" 1
2008 1 84 THR H 1 87 GLY H . . 3.410 2.924 2.717 3.082 . 0 0 "[ . 1 . 2]" 1
2009 1 84 THR H 1 88 TYR HA . . 4.520 3.495 3.249 3.846 . 0 0 "[ . 1 . 2]" 1
2010 1 84 THR H 1 89 GLY H . . 5.070 4.664 4.368 5.070 0.000 6 0 "[ . 1 . 2]" 1
2011 1 84 THR HB 1 85 VAL H . . 3.120 2.230 2.009 2.461 . 0 0 "[ . 1 . 2]" 1
2012 1 84 THR HB 1 85 VAL QG . . 4.010 3.265 2.912 3.489 . 0 0 "[ . 1 . 2]" 1
2013 1 84 THR HB 1 86 ALA H . . 3.600 2.975 2.697 3.236 . 0 0 "[ . 1 . 2]" 1
2014 1 84 THR HB 1 86 ALA MB . . 4.140 3.838 3.551 4.118 . 0 0 "[ . 1 . 2]" 1
2015 1 84 THR HG1 1 85 VAL H . . 4.840 3.636 3.069 4.369 . 0 0 "[ . 1 . 2]" 1
2016 1 84 THR HG1 1 86 ALA H . . 3.620 2.294 1.899 3.233 . 0 0 "[ . 1 . 2]" 1
2017 1 84 THR HG1 1 86 ALA MB . . 3.890 2.375 1.986 2.737 . 0 0 "[ . 1 . 2]" 1
2018 1 84 THR HG1 1 87 GLY H . . 4.260 2.707 1.903 3.526 . 0 0 "[ . 1 . 2]" 1
2019 1 84 THR MG 1 85 VAL H . . 3.960 3.699 3.474 3.850 . 0 0 "[ . 1 . 2]" 1
2020 1 84 THR MG 1 86 ALA H . . 4.510 4.137 3.961 4.274 . 0 0 "[ . 1 . 2]" 1
2021 1 84 THR MG 1 86 ALA MB . . 4.390 4.117 3.864 4.243 . 0 0 "[ . 1 . 2]" 1
2022 1 85 VAL H 1 85 VAL HB . . 3.790 2.534 2.284 3.621 . 0 0 "[ . 1 . 2]" 1
2023 1 85 VAL H 1 85 VAL MG1 . . 3.670 2.416 1.883 2.617 . 0 0 "[ . 1 . 2]" 1
2024 1 85 VAL H 1 85 VAL QG . . 3.030 2.370 1.801 2.564 . 0 0 "[ . 1 . 2]" 1
2025 1 85 VAL H 1 85 VAL MG2 . . 3.670 3.502 2.297 3.751 0.081 10 0 "[ . 1 . 2]" 1
2026 1 85 VAL H 1 86 ALA H . . 3.610 2.746 2.653 2.886 . 0 0 "[ . 1 . 2]" 1
2027 1 85 VAL H 1 86 ALA HA . . 5.500 5.303 5.214 5.447 . 0 0 "[ . 1 . 2]" 1
2028 1 85 VAL H 1 86 ALA MB . . 4.660 4.351 4.170 4.551 . 0 0 "[ . 1 . 2]" 1
2029 1 85 VAL HA 1 85 VAL HB . . 2.950 2.534 2.397 2.593 . 0 0 "[ . 1 . 2]" 1
2030 1 85 VAL HA 1 85 VAL QG . . 2.820 2.182 2.112 2.377 . 0 0 "[ . 1 . 2]" 1
2031 1 85 VAL HA 1 86 ALA HA . . 4.790 4.713 4.616 4.785 . 0 0 "[ . 1 . 2]" 1
2032 1 85 VAL HA 1 87 GLY H . . 4.710 4.613 4.240 4.708 . 0 0 "[ . 1 . 2]" 1
2033 1 85 VAL HB 1 86 ALA H . . 4.250 4.036 3.830 4.236 . 0 0 "[ . 1 . 2]" 1
2034 1 85 VAL QG 1 86 ALA H . . 3.400 2.383 2.125 2.742 . 0 0 "[ . 1 . 2]" 1
2035 1 85 VAL QG 1 86 ALA HA . . 4.070 3.088 2.846 3.213 . 0 0 "[ . 1 . 2]" 1
2036 1 85 VAL QG 1 87 GLY H . . 5.340 4.344 4.212 4.513 . 0 0 "[ . 1 . 2]" 1
2037 1 86 ALA H 1 86 ALA MB . . 2.940 2.192 2.043 2.304 . 0 0 "[ . 1 . 2]" 1
2038 1 86 ALA H 1 87 GLY H . . 3.040 2.499 2.167 2.685 . 0 0 "[ . 1 . 2]" 1
2039 1 86 ALA H 1 87 GLY QA . . 4.990 4.441 4.239 4.576 . 0 0 "[ . 1 . 2]" 1
2040 1 86 ALA MB 1 87 GLY H . . 3.360 2.496 2.358 2.890 . 0 0 "[ . 1 . 2]" 1
2041 1 86 ALA MB 1 87 GLY HA2 . . 4.990 4.373 4.310 4.543 . 0 0 "[ . 1 . 2]" 1
2042 1 86 ALA MB 1 87 GLY QA . . 4.380 3.551 3.500 3.638 . 0 0 "[ . 1 . 2]" 1
2043 1 86 ALA MB 1 87 GLY HA3 . . 4.990 3.758 3.694 3.829 . 0 0 "[ . 1 . 2]" 1
2044 1 87 GLY QA 1 88 TYR HB2 . . 4.500 4.203 4.083 4.265 . 0 0 "[ . 1 . 2]" 1
2045 1 87 GLY QA 1 88 TYR QD . . 4.800 3.491 2.997 4.057 . 0 0 "[ . 1 . 2]" 1
2046 1 87 GLY HA2 1 88 TYR H . . 3.210 2.839 2.564 3.115 . 0 0 "[ . 1 . 2]" 1
2047 1 87 GLY HA2 1 88 TYR HB2 . . 5.180 4.814 4.651 4.949 . 0 0 "[ . 1 . 2]" 1
2048 1 87 GLY HA3 1 88 TYR H . . 3.210 2.329 2.164 2.561 . 0 0 "[ . 1 . 2]" 1
2049 1 87 GLY HA3 1 88 TYR HB2 . . 5.180 4.638 4.442 4.742 . 0 0 "[ . 1 . 2]" 1
2050 1 88 TYR H 1 88 TYR HB2 . . 3.300 2.345 2.209 2.504 . 0 0 "[ . 1 . 2]" 1
2051 1 88 TYR H 1 88 TYR HB3 . . 3.690 3.589 3.507 3.696 0.006 2 0 "[ . 1 . 2]" 1
2052 1 88 TYR H 1 88 TYR QD . . 3.760 2.796 2.384 3.371 . 0 0 "[ . 1 . 2]" 1
2053 1 88 TYR H 1 88 TYR QE . . 5.470 4.957 4.622 5.433 . 0 0 "[ . 1 . 2]" 1
2054 1 88 TYR H 1 89 GLY H . . 5.420 4.539 4.448 4.607 . 0 0 "[ . 1 . 2]" 1
2055 1 88 TYR HA 1 88 TYR QD . . 3.590 2.953 2.670 3.091 . 0 0 "[ . 1 . 2]" 1
2056 1 88 TYR HA 1 89 GLY H . . 3.040 2.243 2.167 2.310 . 0 0 "[ . 1 . 2]" 1
2057 1 88 TYR HB2 1 89 GLY H . . 4.300 4.116 4.008 4.258 . 0 0 "[ . 1 . 2]" 1
2058 1 88 TYR HB3 1 89 GLY H . . 3.920 2.929 2.724 3.211 . 0 0 "[ . 1 . 2]" 1
2059 1 88 TYR QD 1 89 GLY H . . 4.120 3.582 3.249 4.082 . 0 0 "[ . 1 . 2]" 1
2060 1 89 GLY QA 1 90 LYS QG . . 4.760 3.882 3.436 4.670 . 0 0 "[ . 1 . 2]" 1
2061 1 89 GLY HA2 1 90 LYS H . . 3.320 2.423 2.337 2.460 . 0 0 "[ . 1 . 2]" 1
2062 1 89 GLY HA3 1 90 LYS H . . 3.320 2.711 2.667 2.817 . 0 0 "[ . 1 . 2]" 1
2063 1 90 LYS H 1 90 LYS HB2 . . 3.840 2.788 2.220 3.593 . 0 0 "[ . 1 . 2]" 1
2064 1 90 LYS H 1 90 LYS QB . . 3.290 2.404 2.197 2.779 . 0 0 "[ . 1 . 2]" 1
2065 1 90 LYS H 1 90 LYS HB3 . . 3.840 3.226 2.461 3.608 . 0 0 "[ . 1 . 2]" 1
2066 1 90 LYS H 1 90 LYS QD . . 4.200 3.314 1.964 4.197 . 0 0 "[ . 1 . 2]" 1
2067 1 90 LYS H 1 90 LYS QE . . 5.430 3.947 2.789 5.096 . 0 0 "[ . 1 . 2]" 1
2068 1 90 LYS H 1 90 LYS QG . . 3.400 2.448 1.868 3.398 . 0 0 "[ . 1 . 2]" 1
2069 1 90 LYS HA 1 90 LYS QD . . 4.580 3.853 2.430 4.434 . 0 0 "[ . 1 . 2]" 1
2070 1 90 LYS HA 1 90 LYS QG . . 3.590 2.712 2.170 3.444 . 0 0 "[ . 1 . 2]" 1
2071 1 90 LYS HA 1 91 PHE H . . 3.320 2.420 2.310 2.551 . 0 0 "[ . 1 . 2]" 1
2072 1 90 LYS HA 1 91 PHE HB2 . . 4.590 4.499 4.392 4.603 0.013 10 0 "[ . 1 . 2]" 1
2073 1 90 LYS QB 1 90 LYS QE . . 4.500 2.494 1.996 3.921 . 0 0 "[ . 1 . 2]" 1
2074 1 90 LYS QB 1 91 PHE H . . 3.410 2.386 2.111 2.618 . 0 0 "[ . 1 . 2]" 1
2075 1 90 LYS HB2 1 91 PHE H . . 4.230 3.250 2.135 3.882 . 0 0 "[ . 1 . 2]" 1
2076 1 90 LYS HB3 1 91 PHE H . . 4.230 2.879 2.178 3.915 . 0 0 "[ . 1 . 2]" 1
2077 1 90 LYS QD 1 91 PHE H . . 5.060 4.666 2.837 5.060 . 8 0 "[ . 1 . 2]" 1
2078 1 90 LYS QE 1 90 LYS QG . . 3.220 2.276 2.065 2.525 . 0 0 "[ . 1 . 2]" 1
2079 1 90 LYS QE 1 91 PHE H . . 5.500 4.947 3.905 5.495 . 0 0 "[ . 1 . 2]" 1
2080 1 90 LYS QG 1 91 PHE H . . 4.480 3.639 3.281 4.092 . 0 0 "[ . 1 . 2]" 1
2081 1 91 PHE H 1 91 PHE HB2 . . 3.720 2.254 2.203 2.321 . 0 0 "[ . 1 . 2]" 1
2082 1 91 PHE H 1 91 PHE HB3 . . 4.060 3.530 3.488 3.580 . 0 0 "[ . 1 . 2]" 1
2083 1 91 PHE H 1 91 PHE QD . . 4.230 3.206 2.686 3.631 . 0 0 "[ . 1 . 2]" 1
2084 1 91 PHE HA 1 91 PHE QD . . 3.660 2.442 2.073 2.867 . 0 0 "[ . 1 . 2]" 1
2085 1 91 PHE HA 1 91 PHE QE . . 4.560 4.326 4.159 4.509 . 0 0 "[ . 1 . 2]" 1
2086 1 91 PHE HA 1 92 SER H . . 3.130 2.285 2.159 2.378 . 0 0 "[ . 1 . 2]" 1
2087 1 91 PHE HB2 1 92 SER H . . 4.560 4.059 3.843 4.359 . 0 0 "[ . 1 . 2]" 1
2088 1 91 PHE HB3 1 92 SER H . . 4.300 2.812 2.512 3.309 . 0 0 "[ . 1 . 2]" 1
2089 1 91 PHE QD 1 92 SER H . . 4.050 3.028 2.765 3.247 . 0 0 "[ . 1 . 2]" 1
2090 1 92 SER H 1 92 SER HB3 . . 3.720 2.564 2.390 2.790 . 0 0 "[ . 1 . 2]" 1
2091 1 92 SER HA 1 93 GLY H . . 3.130 2.429 2.266 2.585 . 0 0 "[ . 1 . 2]" 1
2092 1 92 SER HA 1 93 GLY HA3 . . 4.660 4.598 4.494 4.667 0.007 12 0 "[ . 1 . 2]" 1
2093 1 92 SER HB2 1 93 GLY H . . 3.400 2.451 2.100 2.838 . 0 0 "[ . 1 . 2]" 1
2094 1 92 SER HB2 1 93 GLY HA3 . . 5.410 4.352 4.127 4.620 . 0 0 "[ . 1 . 2]" 1
2095 1 92 SER HB3 1 93 GLY H . . 4.260 3.820 3.560 4.062 . 0 0 "[ . 1 . 2]" 1
2096 1 92 SER HG 1 93 GLY H . . 4.600 4.015 3.014 4.440 . 0 0 "[ . 1 . 2]" 1
2097 1 93 GLY HA2 1 94 LYS H . . 3.390 2.202 2.136 2.375 . 0 0 "[ . 1 . 2]" 1
2098 1 93 GLY HA2 1 94 LYS QB . . 4.390 4.155 3.983 4.386 . 0 0 "[ . 1 . 2]" 1
2099 1 93 GLY HA2 1 94 LYS QG . . 5.340 4.648 3.921 5.444 0.104 18 0 "[ . 1 . 2]" 1
2100 1 94 LYS H 1 94 LYS HB2 . . 3.590 2.520 2.186 3.570 . 0 0 "[ . 1 . 2]" 1
2101 1 94 LYS H 1 94 LYS HB3 . . 3.590 3.159 2.242 3.603 0.013 3 0 "[ . 1 . 2]" 1
2102 1 94 LYS H 1 94 LYS HG2 . . 4.680 3.767 2.396 4.515 . 0 0 "[ . 1 . 2]" 1
2103 1 94 LYS H 1 94 LYS HG3 . . 4.680 3.388 2.599 4.442 . 0 0 "[ . 1 . 2]" 1
2104 1 94 LYS HA 1 94 LYS QD . . 4.300 3.866 1.918 4.316 0.016 8 0 "[ . 1 . 2]" 1
2105 1 94 LYS HA 1 94 LYS HG2 . . 4.030 2.782 2.310 3.902 . 0 0 "[ . 1 . 2]" 1
2106 1 94 LYS HA 1 94 LYS QG . . 3.530 2.481 2.156 3.333 . 0 0 "[ . 1 . 2]" 1
2107 1 94 LYS HA 1 94 LYS HG3 . . 4.030 2.921 2.177 3.840 . 0 0 "[ . 1 . 2]" 1
2108 1 94 LYS HA 1 95 MET H . . 2.930 2.177 2.141 2.325 . 0 0 "[ . 1 . 2]" 1
2109 1 94 LYS HA 1 95 MET HA . . 5.320 4.410 4.391 4.468 . 0 0 "[ . 1 . 2]" 1
2110 1 94 LYS HB2 1 95 MET H . . 4.880 4.144 2.931 4.525 . 0 0 "[ . 1 . 2]" 1
2111 1 94 LYS HB3 1 95 MET H . . 4.880 3.619 2.641 4.379 . 0 0 "[ . 1 . 2]" 1
2112 1 94 LYS QD 1 95 MET H . . 5.340 4.782 3.020 5.339 . 0 0 "[ . 1 . 2]" 1
2113 1 94 LYS QE 1 94 LYS QG . . 3.070 2.244 2.055 2.539 . 0 0 "[ . 1 . 2]" 1
2114 1 94 LYS QG 1 95 MET H . . 4.250 3.496 2.599 4.226 . 0 0 "[ . 1 . 2]" 1
2115 1 94 LYS HG2 1 95 MET H . . 5.070 3.914 2.962 5.009 . 0 0 "[ . 1 . 2]" 1
2116 1 94 LYS HG3 1 95 MET H . . 5.070 4.356 2.631 4.962 . 0 0 "[ . 1 . 2]" 1
2117 1 95 MET H 1 95 MET QB . . 3.600 2.620 2.393 3.173 . 0 0 "[ . 1 . 2]" 1
2118 1 95 MET H 1 95 MET HG2 . . 5.140 4.721 2.220 5.063 . 0 0 "[ . 1 . 2]" 1
2119 1 95 MET H 1 95 MET QG . . 4.470 4.111 2.150 4.350 . 0 0 "[ . 1 . 2]" 1
2120 1 95 MET H 1 95 MET HG3 . . 5.140 4.545 2.875 4.740 . 0 0 "[ . 1 . 2]" 1
2121 1 95 MET H 1 96 CYS H . . 4.680 4.449 4.383 4.533 . 0 0 "[ . 1 . 2]" 1
2122 1 95 MET HA 1 95 MET ME . . 4.220 3.853 3.417 4.175 . 0 0 "[ . 1 . 2]" 1
2123 1 95 MET HA 1 95 MET HG2 . . 3.870 3.416 2.706 3.679 . 0 0 "[ . 1 . 2]" 1
2124 1 95 MET HA 1 95 MET QG . . 3.290 2.503 2.231 3.310 0.020 2 0 "[ . 1 . 2]" 1
2125 1 95 MET HA 1 95 MET HG3 . . 3.870 2.595 2.315 3.830 . 0 0 "[ . 1 . 2]" 1
2126 1 95 MET HA 1 96 CYS H . . 2.840 2.362 2.268 2.625 . 0 0 "[ . 1 . 2]" 1
2127 1 95 MET HA 1 96 CYS QB . . 4.610 4.277 3.998 4.545 . 0 0 "[ . 1 . 2]" 1
2128 1 95 MET QB 1 95 MET ME . . 3.600 2.396 1.898 3.561 . 0 0 "[ . 1 . 2]" 1
2129 1 95 MET QB 1 96 CYS H . . 3.360 3.170 1.959 3.360 0.000 11 0 "[ . 1 . 2]" 1
2130 1 95 MET QB 1 96 CYS HA . . 4.870 4.296 4.093 4.497 . 0 0 "[ . 1 . 2]" 1
2131 1 95 MET QB 1 97 PHE QE . . 3.550 2.415 1.995 3.552 0.002 2 0 "[ . 1 . 2]" 1
2132 1 95 MET QB 1 97 PHE HZ . . 4.160 2.726 2.142 3.893 . 0 0 "[ . 1 . 2]" 1
2133 1 95 MET ME 1 95 MET QG . . 3.490 2.241 2.049 2.454 . 0 0 "[ . 1 . 2]" 1
2134 1 95 MET ME 1 96 CYS H . . 4.910 4.686 4.202 4.900 . 0 0 "[ . 1 . 2]" 1
2135 1 95 MET ME 1 97 PHE QE . . 3.820 3.678 3.424 3.828 0.008 2 0 "[ . 1 . 2]" 1
2136 1 95 MET ME 1 97 PHE HZ . . 3.480 3.081 2.500 3.437 . 0 0 "[ . 1 . 2]" 1
2137 1 95 MET QG 1 96 CYS H . . 3.470 2.097 1.830 3.477 0.007 2 0 "[ . 1 . 2]" 1
2138 1 95 MET QG 1 97 PHE QE . . 4.090 2.800 2.114 3.618 . 0 0 "[ . 1 . 2]" 1
2139 1 95 MET QG 1 97 PHE HZ . . 4.540 2.693 1.989 3.730 . 0 0 "[ . 1 . 2]" 1
2140 1 95 MET HG2 1 97 PHE QE . . 4.880 2.952 2.157 3.797 . 0 0 "[ . 1 . 2]" 1
2141 1 95 MET HG3 1 97 PHE QE . . 4.880 3.744 2.319 4.572 . 0 0 "[ . 1 . 2]" 1
2142 1 96 CYS H 1 96 CYS HB2 . . 3.930 3.614 2.698 3.925 . 0 0 "[ . 1 . 2]" 1
2143 1 96 CYS H 1 96 CYS QB . . 3.310 2.902 2.644 3.072 . 0 0 "[ . 1 . 2]" 1
2144 1 96 CYS H 1 96 CYS HB3 . . 3.930 3.180 2.809 3.831 . 0 0 "[ . 1 . 2]" 1
2145 1 96 CYS H 1 97 PHE H . . 4.630 4.241 4.055 4.415 . 0 0 "[ . 1 . 2]" 1
2146 1 96 CYS H 1 97 PHE QD . . 5.230 4.757 4.421 5.072 . 0 0 "[ . 1 . 2]" 1
2147 1 96 CYS H 1 97 PHE QE . . 5.500 4.707 4.390 5.083 . 0 0 "[ . 1 . 2]" 1
2148 1 96 CYS HA 1 97 PHE H . . 2.870 2.146 2.138 2.177 . 0 0 "[ . 1 . 2]" 1
2149 1 96 CYS HA 1 97 PHE QD . . 4.690 4.065 3.645 4.550 . 0 0 "[ . 1 . 2]" 1
2150 1 96 CYS QB 1 97 PHE H . . 3.530 3.367 3.088 3.515 . 0 0 "[ . 1 . 2]" 1
2151 1 97 PHE H 1 97 PHE HB2 . . 3.760 2.689 2.571 2.850 . 0 0 "[ . 1 . 2]" 1
2152 1 97 PHE H 1 97 PHE HB3 . . 4.170 3.777 3.726 3.866 . 0 0 "[ . 1 . 2]" 1
2153 1 97 PHE H 1 97 PHE QD . . 3.900 2.964 2.429 3.684 . 0 0 "[ . 1 . 2]" 1
2154 1 97 PHE H 1 98 GLN H . . 4.630 4.304 4.116 4.403 . 0 0 "[ . 1 . 2]" 1
2155 1 97 PHE HB2 1 98 GLN H . . 4.380 4.201 3.975 4.334 . 0 0 "[ . 1 . 2]" 1
2156 1 97 PHE HB3 1 98 GLN H . . 3.520 3.415 3.197 3.491 . 0 0 "[ . 1 . 2]" 1
2157 1 97 PHE QD 1 98 GLN H . . 4.530 4.258 3.881 4.518 . 0 0 "[ . 1 . 2]" 1
2158 1 98 GLN H 1 98 GLN HB2 . . 3.720 3.385 2.723 3.710 . 0 0 "[ . 1 . 2]" 1
2159 1 98 GLN H 1 98 GLN QB . . 3.210 2.642 2.231 2.919 . 0 0 "[ . 1 . 2]" 1
2160 1 98 GLN H 1 98 GLN HB3 . . 3.720 2.772 2.291 3.067 . 0 0 "[ . 1 . 2]" 1
2161 1 98 GLN H 1 98 GLN QG . . 4.120 2.765 1.928 4.076 . 0 0 "[ . 1 . 2]" 1
2162 1 98 GLN H 1 99 THR H . . 4.790 4.547 4.514 4.579 . 0 0 "[ . 1 . 2]" 1
2163 1 98 GLN HA 1 99 THR H . . 2.830 2.291 2.209 2.370 . 0 0 "[ . 1 . 2]" 1
2164 1 98 GLN HA 1 99 THR MG . . 4.640 3.684 3.344 4.120 . 0 0 "[ . 1 . 2]" 1
2165 1 98 GLN QB 1 98 GLN QE . . 3.240 2.512 1.881 3.205 . 0 0 "[ . 1 . 2]" 1
2166 1 98 GLN HB2 1 99 THR H . . 4.090 3.151 2.522 4.082 . 0 0 "[ . 1 . 2]" 1
2167 1 98 GLN HB3 1 99 THR H . . 4.090 3.878 3.670 4.091 0.001 17 0 "[ . 1 . 2]" 1
2168 1 98 GLN QE 1 101 THR MG . . 4.490 3.451 2.597 4.142 . 0 0 "[ . 1 . 2]" 1
2169 1 98 GLN HE21 1 101 THR MG . . 5.320 4.154 2.717 5.190 . 0 0 "[ . 1 . 2]" 1
2170 1 98 GLN HE22 1 101 THR MG . . 5.320 3.815 3.117 4.496 . 0 0 "[ . 1 . 2]" 1
2171 1 98 GLN QG 1 99 THR H . . 3.960 3.270 1.981 3.955 . 0 0 "[ . 1 . 2]" 1
2172 1 98 GLN QG 1 99 THR HA . . 5.280 4.302 3.924 4.599 . 0 0 "[ . 1 . 2]" 1
2173 1 99 THR H 1 99 THR HG1 . . 3.850 2.913 2.240 3.321 . 0 0 "[ . 1 . 2]" 1
2174 1 99 THR H 1 99 THR MG . . 3.450 2.470 2.119 2.959 . 0 0 "[ . 1 . 2]" 1
2175 1 99 THR H 1 100 LEU H . . 4.570 4.524 4.482 4.567 . 0 0 "[ . 1 . 2]" 1
2176 1 99 THR HA 1 99 THR MG . . 3.150 2.301 2.145 2.497 . 0 0 "[ . 1 . 2]" 1
2177 1 99 THR HA 1 100 LEU H . . 3.030 2.588 2.501 2.648 . 0 0 "[ . 1 . 2]" 1
2178 1 99 THR HG1 1 99 THR MG . . 3.200 2.063 1.956 2.287 . 0 0 "[ . 1 . 2]" 1
2179 1 99 THR HG1 1 100 LEU H . . 4.420 4.202 3.934 4.423 0.003 17 0 "[ . 1 . 2]" 1
2180 1 99 THR MG 1 100 LEU H . . 3.730 3.551 3.207 3.729 . 0 0 "[ . 1 . 2]" 1
2181 1 100 LEU H 1 100 LEU HB2 . . 3.160 2.355 2.161 2.697 . 0 0 "[ . 1 . 2]" 1
2182 1 100 LEU H 1 100 LEU HB3 . . 3.720 3.556 3.469 3.613 . 0 0 "[ . 1 . 2]" 1
2183 1 100 LEU H 1 100 LEU MD1 . . 3.990 3.286 2.149 3.994 0.004 16 0 "[ . 1 . 2]" 1
2184 1 100 LEU H 1 100 LEU QD . . 3.440 2.580 1.979 3.182 . 0 0 "[ . 1 . 2]" 1
2185 1 100 LEU H 1 100 LEU MD2 . . 3.990 3.217 1.984 3.938 . 0 0 "[ . 1 . 2]" 1
2186 1 100 LEU H 1 100 LEU HG . . 4.370 3.177 1.994 4.155 . 0 0 "[ . 1 . 2]" 1
2187 1 100 LEU H 1 101 THR H . . 4.870 4.557 4.474 4.621 . 0 0 "[ . 1 . 2]" 1
2188 1 100 LEU H 1 101 THR MG . . 5.500 4.970 4.792 5.356 . 0 0 "[ . 1 . 2]" 1
2189 1 100 LEU HA 1 100 LEU QD . . 2.800 2.143 1.932 2.501 . 0 0 "[ . 1 . 2]" 1
2190 1 100 LEU HA 1 100 LEU HG . . 4.170 3.096 2.466 3.767 . 0 0 "[ . 1 . 2]" 1
2191 1 100 LEU HA 1 101 THR H . . 2.720 2.182 2.138 2.383 . 0 0 "[ . 1 . 2]" 1
2192 1 100 LEU HB2 1 101 THR H . . 4.380 4.176 3.916 4.384 0.004 20 0 "[ . 1 . 2]" 1
2193 1 100 LEU HB3 1 101 THR H . . 3.500 3.159 2.545 3.442 . 0 0 "[ . 1 . 2]" 1
2194 1 100 LEU HB3 1 102 ASP H . . 5.130 4.885 3.044 5.162 0.032 4 0 "[ . 1 . 2]" 1
2195 1 100 LEU QD 1 101 THR H . . 4.060 3.540 2.995 4.019 . 0 0 "[ . 1 . 2]" 1
2196 1 101 THR H 1 101 THR HB . . 3.790 3.689 3.592 3.738 . 0 0 "[ . 1 . 2]" 1
2197 1 101 THR H 1 101 THR MG . . 3.180 2.445 1.998 2.700 . 0 0 "[ . 1 . 2]" 1
2198 1 101 THR H 1 102 ASP H . . 4.390 4.194 2.415 4.368 . 0 0 "[ . 1 . 2]" 1
2199 1 101 THR HA 1 102 ASP HB2 . . 5.030 4.763 4.460 4.994 . 0 0 "[ . 1 . 2]" 1
2200 1 101 THR HA 1 102 ASP QB . . 4.380 4.101 4.056 4.162 . 0 0 "[ . 1 . 2]" 1
2201 1 101 THR HA 1 102 ASP HB3 . . 5.030 4.496 4.320 4.795 . 0 0 "[ . 1 . 2]" 1
2202 1 101 THR HB 1 102 ASP H . . 3.770 3.669 3.354 3.824 0.054 4 0 "[ . 1 . 2]" 1
2203 1 101 THR MG 1 102 ASP H . . 4.360 4.192 4.007 4.321 . 0 0 "[ . 1 . 2]" 1
2204 1 102 ASP H 1 102 ASP HB2 . . 3.640 2.794 2.415 3.057 . 0 0 "[ . 1 . 2]" 1
2205 1 102 ASP H 1 102 ASP HB3 . . 3.640 2.459 2.206 3.637 . 0 0 "[ . 1 . 2]" 1
2206 1 102 ASP QB 1 103 SER H . . 4.380 3.263 1.960 4.042 . 0 0 "[ . 1 . 2]" 1
2207 1 104 GLY QA 1 105 PRO QD . . 2.810 1.991 1.854 2.146 . 0 0 "[ . 1 . 2]" 1
2208 1 104 GLY QA 1 105 PRO QG . . 4.730 3.730 3.642 3.946 . 0 0 "[ . 1 . 2]" 1
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