NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628126 |
6cah   |
30399 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6cah
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 1283
_Distance_constraint_stats_list.Viol_count 1997
_Distance_constraint_stats_list.Viol_total 119.032
_Distance_constraint_stats_list.Viol_max 0.021
_Distance_constraint_stats_list.Viol_rms 0.0011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0030
_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 16 PRO 0.015 0.003 17 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ARG 0.084 0.008 4 0 "[ . 1 . 2]"
1 19 LEU 0.159 0.011 16 0 "[ . 1 . 2]"
1 20 THR 0.080 0.010 12 0 "[ . 1 . 2]"
1 21 GLY 0.019 0.005 9 0 "[ . 1 . 2]"
1 22 GLU 0.231 0.016 16 0 "[ . 1 . 2]"
1 23 LEU 0.157 0.021 9 0 "[ . 1 . 2]"
1 25 PRO 0.037 0.007 7 0 "[ . 1 . 2]"
1 26 GLY 0.041 0.007 7 0 "[ . 1 . 2]"
1 27 ALA 0.018 0.003 7 0 "[ . 1 . 2]"
1 28 VAL 0.042 0.004 7 0 "[ . 1 . 2]"
1 29 ARG 0.018 0.004 18 0 "[ . 1 . 2]"
1 30 ILE 0.498 0.016 10 0 "[ . 1 . 2]"
1 31 GLY 0.227 0.007 20 0 "[ . 1 . 2]"
1 32 ARG 0.211 0.012 19 0 "[ . 1 . 2]"
1 33 ALA 0.305 0.012 2 0 "[ . 1 . 2]"
1 34 ASN 0.126 0.008 16 0 "[ . 1 . 2]"
1 35 ASP 0.213 0.008 14 0 "[ . 1 . 2]"
1 36 ASN 0.543 0.012 9 0 "[ . 1 . 2]"
1 37 ASP 0.128 0.010 12 0 "[ . 1 . 2]"
1 38 ILE 0.229 0.012 9 0 "[ . 1 . 2]"
1 39 VAL 0.495 0.012 2 0 "[ . 1 . 2]"
1 40 ILE 0.116 0.006 1 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLU 0.270 0.006 1 0 "[ . 1 . 2]"
1 43 VAL 0.027 0.003 5 0 "[ . 1 . 2]"
1 44 LEU 0.121 0.005 2 0 "[ . 1 . 2]"
1 45 ALA 0.121 0.005 10 0 "[ . 1 . 2]"
1 46 SER 0.048 0.005 10 0 "[ . 1 . 2]"
1 47 ARG 0.057 0.012 19 0 "[ . 1 . 2]"
1 48 HIS 0.027 0.005 4 0 "[ . 1 . 2]"
1 49 HIS 0.082 0.005 18 0 "[ . 1 . 2]"
1 50 ALA 0.239 0.018 5 0 "[ . 1 . 2]"
1 51 THR 0.471 0.018 5 0 "[ . 1 . 2]"
1 52 LEU 0.411 0.016 10 0 "[ . 1 . 2]"
1 53 VAL 0.071 0.006 7 0 "[ . 1 . 2]"
1 54 PRO 0.062 0.006 7 0 "[ . 1 . 2]"
1 55 THR 0.169 0.008 14 0 "[ . 1 . 2]"
1 56 PRO 0.044 0.002 9 0 "[ . 1 . 2]"
1 57 GLY 0.022 0.002 1 0 "[ . 1 . 2]"
1 58 GLY 0.008 0.003 3 0 "[ . 1 . 2]"
1 59 THR 0.249 0.008 14 0 "[ . 1 . 2]"
1 60 GLU 0.199 0.010 5 0 "[ . 1 . 2]"
1 61 ILE 0.067 0.004 16 0 "[ . 1 . 2]"
1 62 ARG 0.067 0.004 10 0 "[ . 1 . 2]"
1 63 ASP 0.057 0.007 16 0 "[ . 1 . 2]"
1 64 ASN 0.113 0.009 20 0 "[ . 1 . 2]"
1 65 ARG 0.166 0.017 20 0 "[ . 1 . 2]"
1 66 SER 0.160 0.017 20 0 "[ . 1 . 2]"
1 67 ILE 0.079 0.006 1 0 "[ . 1 . 2]"
1 68 ASN 0.038 0.005 2 0 "[ . 1 . 2]"
1 69 GLY 0.054 0.006 2 0 "[ . 1 . 2]"
1 70 THR 0.027 0.003 5 0 "[ . 1 . 2]"
1 71 PHE 0.081 0.004 17 0 "[ . 1 . 2]"
1 72 VAL 0.059 0.008 19 0 "[ . 1 . 2]"
1 73 ASN 0.016 0.003 14 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.136 0.005 5 0 "[ . 1 . 2]"
1 76 ARG 0.138 0.006 11 0 "[ . 1 . 2]"
1 77 VAL 0.123 0.006 11 0 "[ . 1 . 2]"
1 78 ASP 0.099 0.005 18 0 "[ . 1 . 2]"
1 79 ALA 0.157 0.006 20 0 "[ . 1 . 2]"
1 80 ALA 0.066 0.010 5 0 "[ . 1 . 2]"
1 81 LEU 0.108 0.006 18 0 "[ . 1 . 2]"
1 82 LEU 0.157 0.007 11 0 "[ . 1 . 2]"
1 83 HIS 0.007 0.002 13 0 "[ . 1 . 2]"
1 84 ASP 0.144 0.009 11 0 "[ . 1 . 2]"
1 85 GLY 0.134 0.009 11 0 "[ . 1 . 2]"
1 86 ASP 0.164 0.008 19 0 "[ . 1 . 2]"
1 87 VAL 0.046 0.010 15 0 "[ . 1 . 2]"
1 88 VAL 0.085 0.005 1 0 "[ . 1 . 2]"
1 89 THR 0.006 0.001 5 0 "[ . 1 . 2]"
1 90 ILE 0.035 0.005 4 0 "[ . 1 . 2]"
1 91 GLY 0.111 0.006 4 0 "[ . 1 . 2]"
1 92 ASN 0.001 0.001 11 0 "[ . 1 . 2]"
1 93 ILE 0.133 0.006 4 0 "[ . 1 . 2]"
1 94 ASP 0.091 0.015 15 0 "[ . 1 . 2]"
1 95 LEU 0.382 0.015 15 0 "[ . 1 . 2]"
1 96 VAL 0.213 0.012 12 0 "[ . 1 . 2]"
1 97 PHE 0.073 0.007 11 0 "[ . 1 . 2]"
1 98 ALA 0.044 0.005 5 0 "[ . 1 . 2]"
1 99 ASP 0.006 0.005 3 0 "[ . 1 . 2]"
1 100 GLY 0.000 0.000 3 0 "[ . 1 . 2]"
1 101 THR 0.077 0.005 5 0 "[ . 1 . 2]"
1 102 LEU 0.166 0.009 12 0 "[ . 1 . 2]"
1 103 ALA 0.014 0.002 18 0 "[ . 1 . 2]"
1 104 ARG 0.135 0.012 5 0 "[ . 1 . 2]"
1 105 ARG 0.057 0.014 16 0 "[ . 1 . 2]"
1 106 GLU 0.083 0.008 6 0 "[ . 1 . 2]"
1 107 GLU 0.091 0.013 8 0 "[ . 1 . 2]"
1 108 ASN 0.097 0.013 8 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 16 PRO QB 1 17 GLY H . . 4.000 3.183 2.658 3.763 . 0 0 "[ . 1 . 2]" 1
2 1 16 PRO QG 1 18 ARG QB . . 3.340 3.204 2.726 3.343 0.003 17 0 "[ . 1 . 2]" 1
3 1 18 ARG H 1 18 ARG HG2 . . 5.440 4.096 2.175 5.310 . 0 0 "[ . 1 . 2]" 1
4 1 18 ARG H 1 18 ARG QG . . 4.610 3.571 2.154 4.548 . 0 0 "[ . 1 . 2]" 1
5 1 18 ARG H 1 18 ARG HG3 . . 5.440 4.108 2.823 4.945 . 0 0 "[ . 1 . 2]" 1
6 1 18 ARG H 1 19 LEU H . . 4.120 3.785 2.878 4.128 0.008 4 0 "[ . 1 . 2]" 1
7 1 18 ARG QG 1 19 LEU H . . 5.260 3.369 2.441 4.684 . 0 0 "[ . 1 . 2]" 1
8 1 19 LEU H 1 19 LEU HB2 . . 3.670 3.135 2.349 3.681 0.011 16 0 "[ . 1 . 2]" 1
9 1 19 LEU H 1 19 LEU QB . . 3.150 2.470 2.209 2.935 . 0 0 "[ . 1 . 2]" 1
10 1 19 LEU H 1 19 LEU HB3 . . 3.670 2.657 2.423 3.595 . 0 0 "[ . 1 . 2]" 1
11 1 19 LEU H 1 19 LEU MD1 . . 5.170 4.154 2.235 4.597 . 0 0 "[ . 1 . 2]" 1
12 1 19 LEU H 1 19 LEU QD . . 4.440 3.242 1.842 4.059 . 0 0 "[ . 1 . 2]" 1
13 1 19 LEU H 1 19 LEU MD2 . . 5.170 3.661 1.845 4.657 . 0 0 "[ . 1 . 2]" 1
14 1 19 LEU H 1 19 LEU HG . . 5.500 4.138 2.972 4.579 . 0 0 "[ . 1 . 2]" 1
15 1 19 LEU HA 1 20 THR H . . 3.130 2.352 2.194 3.136 0.006 4 0 "[ . 1 . 2]" 1
16 1 19 LEU QD 1 20 THR H . . 4.100 2.847 2.260 3.955 . 0 0 "[ . 1 . 2]" 1
17 1 19 LEU MD1 1 20 THR H . . 4.910 3.102 2.271 4.913 0.003 4 0 "[ . 1 . 2]" 1
18 1 19 LEU MD2 1 20 THR H . . 4.910 4.231 2.950 4.806 . 0 0 "[ . 1 . 2]" 1
19 1 19 LEU HG 1 20 THR H . . 4.230 2.988 2.397 3.846 . 0 0 "[ . 1 . 2]" 1
20 1 19 LEU HG 1 20 THR MG . . 4.270 4.196 3.259 4.280 0.010 12 0 "[ . 1 . 2]" 1
21 1 20 THR H 1 20 THR MG . . 3.730 2.374 1.988 3.696 . 0 0 "[ . 1 . 2]" 1
22 1 20 THR HA 1 21 GLY H . . 3.290 2.452 2.240 2.600 . 0 0 "[ . 1 . 2]" 1
23 1 21 GLY QA 1 22 GLU H . . 2.940 2.436 2.198 2.943 0.003 2 0 "[ . 1 . 2]" 1
24 1 21 GLY HA2 1 22 GLU H . . 3.490 2.808 2.228 3.494 0.004 14 0 "[ . 1 . 2]" 1
25 1 21 GLY HA3 1 22 GLU H . . 3.490 2.904 2.270 3.495 0.005 9 0 "[ . 1 . 2]" 1
26 1 22 GLU H 1 22 GLU HB2 . . 3.710 3.010 2.439 3.721 0.011 13 0 "[ . 1 . 2]" 1
27 1 22 GLU H 1 22 GLU QB . . 3.030 2.649 2.404 3.040 0.010 5 0 "[ . 1 . 2]" 1
28 1 22 GLU H 1 22 GLU HB3 . . 3.710 3.405 2.537 3.716 0.006 2 0 "[ . 1 . 2]" 1
29 1 22 GLU H 1 22 GLU QG . . 3.640 2.728 2.176 3.647 0.007 20 0 "[ . 1 . 2]" 1
30 1 22 GLU H 1 23 LEU QB . . 4.670 4.547 3.897 4.680 0.010 5 0 "[ . 1 . 2]" 1
31 1 22 GLU HA 1 23 LEU H . . 3.010 2.570 2.201 3.026 0.016 16 0 "[ . 1 . 2]" 1
32 1 22 GLU QB 1 23 LEU H . . 4.340 3.258 2.568 3.968 . 0 0 "[ . 1 . 2]" 1
33 1 22 GLU QB 1 23 LEU HA . . 4.930 4.418 4.028 4.794 . 0 0 "[ . 1 . 2]" 1
34 1 22 GLU QB 1 23 LEU QB . . 4.870 4.674 4.093 4.873 0.003 3 0 "[ . 1 . 2]" 1
35 1 23 LEU H 1 23 LEU QB . . 3.300 2.583 2.228 3.300 . 0 0 "[ . 1 . 2]" 1
36 1 23 LEU H 1 23 LEU MD1 . . 5.220 4.281 2.720 4.491 . 0 0 "[ . 1 . 2]" 1
37 1 23 LEU H 1 23 LEU QD . . 4.540 3.573 1.850 4.030 . 0 0 "[ . 1 . 2]" 1
38 1 23 LEU H 1 23 LEU MD2 . . 5.220 4.050 1.852 4.659 . 0 0 "[ . 1 . 2]" 1
39 1 23 LEU HA 1 23 LEU QD . . 3.290 2.403 2.131 3.311 0.021 9 0 "[ . 1 . 2]" 1
40 1 23 LEU QB 1 23 LEU QD . . 2.810 1.978 1.907 2.111 . 0 0 "[ . 1 . 2]" 1
41 1 25 PRO HA 1 26 GLY QA . . 4.670 4.221 4.056 4.377 . 0 0 "[ . 1 . 2]" 1
42 1 25 PRO QB 1 26 GLY H . . 3.870 3.709 3.634 3.877 0.007 7 0 "[ . 1 . 2]" 1
43 1 25 PRO HB2 1 26 GLY H . . 4.450 3.972 3.858 4.267 . 0 0 "[ . 1 . 2]" 1
44 1 25 PRO HB3 1 26 GLY H . . 4.450 4.450 4.438 4.454 0.004 5 0 "[ . 1 . 2]" 1
45 1 25 PRO QD 1 26 GLY H . . 4.270 2.961 2.757 4.189 . 0 0 "[ . 1 . 2]" 1
46 1 25 PRO QG 1 26 GLY H . . 4.350 2.982 2.753 4.352 0.002 7 0 "[ . 1 . 2]" 1
47 1 26 GLY H 1 27 ALA H . . 3.570 2.777 2.272 3.573 0.003 7 0 "[ . 1 . 2]" 1
48 1 27 ALA H 1 27 ALA MB . . 3.140 2.442 2.290 2.691 . 0 0 "[ . 1 . 2]" 1
49 1 27 ALA H 1 54 PRO HD2 . . 5.500 5.242 4.288 5.501 0.001 2 0 "[ . 1 . 2]" 1
50 1 27 ALA HA 1 28 VAL H . . 2.980 2.305 2.104 2.477 . 0 0 "[ . 1 . 2]" 1
51 1 27 ALA HA 1 28 VAL HB . . 4.660 4.634 4.526 4.661 0.001 7 0 "[ . 1 . 2]" 1
52 1 27 ALA HA 1 28 VAL QG . . 4.470 3.577 3.360 3.778 . 0 0 "[ . 1 . 2]" 1
53 1 27 ALA HA 1 53 VAL HA . . 3.700 3.092 2.475 3.630 . 0 0 "[ . 1 . 2]" 1
54 1 27 ALA HA 1 53 VAL QG . . 4.550 4.082 3.597 4.505 . 0 0 "[ . 1 . 2]" 1
55 1 27 ALA HA 1 54 PRO HD2 . . 4.450 3.696 3.130 4.100 . 0 0 "[ . 1 . 2]" 1
56 1 27 ALA HA 1 54 PRO HD3 . . 3.940 2.658 2.477 2.815 . 0 0 "[ . 1 . 2]" 1
57 1 27 ALA MB 1 28 VAL H . . 3.360 2.863 2.521 3.363 0.003 3 0 "[ . 1 . 2]" 1
58 1 27 ALA MB 1 28 VAL HA . . 4.560 4.122 4.019 4.254 . 0 0 "[ . 1 . 2]" 1
59 1 27 ALA MB 1 53 VAL HA . . 3.820 2.825 2.538 3.423 . 0 0 "[ . 1 . 2]" 1
60 1 27 ALA MB 1 53 VAL QG . . 3.290 2.691 2.130 3.292 0.002 3 0 "[ . 1 . 2]" 1
61 1 27 ALA MB 1 54 PRO HD2 . . 4.510 2.645 2.311 3.175 . 0 0 "[ . 1 . 2]" 1
62 1 27 ALA MB 1 54 PRO HD3 . . 4.370 2.766 2.386 3.398 . 0 0 "[ . 1 . 2]" 1
63 1 27 ALA MB 1 54 PRO QG . . 3.950 3.442 3.052 3.950 . 0 0 "[ . 1 . 2]" 1
64 1 28 VAL H 1 28 VAL HB . . 3.370 2.753 2.630 2.857 . 0 0 "[ . 1 . 2]" 1
65 1 28 VAL H 1 28 VAL MG1 . . 4.420 3.934 3.887 3.985 . 0 0 "[ . 1 . 2]" 1
66 1 28 VAL H 1 28 VAL QG . . 3.370 2.900 2.778 2.989 . 0 0 "[ . 1 . 2]" 1
67 1 28 VAL H 1 28 VAL MG2 . . 4.420 2.987 2.845 3.089 . 0 0 "[ . 1 . 2]" 1
68 1 28 VAL H 1 52 LEU H . . 4.730 3.360 3.153 3.644 . 0 0 "[ . 1 . 2]" 1
69 1 28 VAL H 1 52 LEU HB2 . . 3.970 2.620 2.118 3.373 . 0 0 "[ . 1 . 2]" 1
70 1 28 VAL H 1 53 VAL HA . . 4.130 3.835 3.594 4.051 . 0 0 "[ . 1 . 2]" 1
71 1 28 VAL H 1 53 VAL QG . . 4.610 4.103 3.623 4.614 0.004 7 0 "[ . 1 . 2]" 1
72 1 28 VAL H 1 54 PRO HD3 . . 4.680 4.570 4.258 4.683 0.003 3 0 "[ . 1 . 2]" 1
73 1 28 VAL HA 1 28 VAL MG1 . . 3.470 2.445 2.391 2.490 . 0 0 "[ . 1 . 2]" 1
74 1 28 VAL HA 1 28 VAL QG . . 3.000 2.151 2.122 2.180 . 0 0 "[ . 1 . 2]" 1
75 1 28 VAL HA 1 28 VAL MG2 . . 3.470 2.387 2.348 2.414 . 0 0 "[ . 1 . 2]" 1
76 1 28 VAL HA 1 29 ARG H . . 3.100 2.259 2.207 2.329 . 0 0 "[ . 1 . 2]" 1
77 1 28 VAL HA 1 29 ARG HA . . 4.620 4.434 4.414 4.452 . 0 0 "[ . 1 . 2]" 1
78 1 28 VAL HA 1 37 ASP QB . . 4.230 2.822 2.493 3.631 . 0 0 "[ . 1 . 2]" 1
79 1 28 VAL HB 1 38 ILE MD . . 4.750 4.025 3.932 4.086 . 0 0 "[ . 1 . 2]" 1
80 1 28 VAL HB 1 52 LEU H . . 5.180 3.515 3.213 3.844 . 0 0 "[ . 1 . 2]" 1
81 1 28 VAL HB 1 52 LEU HB2 . . 3.610 2.059 1.983 2.290 . 0 0 "[ . 1 . 2]" 1
82 1 28 VAL HB 1 52 LEU HB3 . . 4.020 3.432 3.134 3.680 . 0 0 "[ . 1 . 2]" 1
83 1 28 VAL HB 1 52 LEU QD . . 5.000 3.158 2.229 3.835 . 0 0 "[ . 1 . 2]" 1
84 1 28 VAL HB 1 102 LEU QD . . 4.860 3.750 3.007 4.778 . 0 0 "[ . 1 . 2]" 1
85 1 28 VAL QG 1 29 ARG H . . 3.620 2.907 2.628 3.073 . 0 0 "[ . 1 . 2]" 1
86 1 28 VAL QG 1 30 ILE H . . 4.910 3.579 3.328 3.920 . 0 0 "[ . 1 . 2]" 1
87 1 28 VAL QG 1 37 ASP QB . . 3.100 2.271 1.998 3.101 0.001 19 0 "[ . 1 . 2]" 1
88 1 28 VAL QG 1 38 ILE H . . 3.840 3.271 2.772 3.510 . 0 0 "[ . 1 . 2]" 1
89 1 28 VAL QG 1 38 ILE HB . . 3.630 2.336 2.267 2.402 . 0 0 "[ . 1 . 2]" 1
90 1 28 VAL QG 1 38 ILE MD . . 2.880 1.910 1.877 1.951 . 0 0 "[ . 1 . 2]" 1
91 1 28 VAL QG 1 38 ILE QG . . 3.130 2.392 2.264 2.716 . 0 0 "[ . 1 . 2]" 1
92 1 28 VAL QG 1 52 LEU H . . 4.610 3.776 3.636 3.910 . 0 0 "[ . 1 . 2]" 1
93 1 28 VAL QG 1 52 LEU HB2 . . 3.820 3.128 3.049 3.335 . 0 0 "[ . 1 . 2]" 1
94 1 28 VAL QG 1 52 LEU HB3 . . 4.880 3.841 3.641 4.168 . 0 0 "[ . 1 . 2]" 1
95 1 28 VAL QG 1 52 LEU HG . . 4.960 3.674 3.298 4.053 . 0 0 "[ . 1 . 2]" 1
96 1 28 VAL QG 1 102 LEU QB . . 4.040 3.627 3.079 4.041 0.001 12 0 "[ . 1 . 2]" 1
97 1 28 VAL MG1 1 29 ARG H . . 4.510 2.968 2.663 3.158 . 0 0 "[ . 1 . 2]" 1
98 1 28 VAL MG1 1 38 ILE HB . . 4.280 2.347 2.275 2.415 . 0 0 "[ . 1 . 2]" 1
99 1 28 VAL MG1 1 38 ILE HG12 . . 5.350 3.828 3.749 4.026 . 0 0 "[ . 1 . 2]" 1
100 1 28 VAL MG1 1 38 ILE HG13 . . 5.350 2.477 2.332 2.853 . 0 0 "[ . 1 . 2]" 1
101 1 28 VAL MG2 1 29 ARG H . . 4.510 4.189 4.034 4.284 . 0 0 "[ . 1 . 2]" 1
102 1 28 VAL MG2 1 38 ILE HB . . 4.280 4.267 4.085 4.283 0.003 17 0 "[ . 1 . 2]" 1
103 1 28 VAL MG2 1 38 ILE HG12 . . 5.350 4.657 4.408 4.935 . 0 0 "[ . 1 . 2]" 1
104 1 28 VAL MG2 1 38 ILE HG13 . . 5.350 3.472 3.267 3.858 . 0 0 "[ . 1 . 2]" 1
105 1 29 ARG H 1 29 ARG HG2 . . 5.460 3.706 2.082 4.501 . 0 0 "[ . 1 . 2]" 1
106 1 29 ARG H 1 29 ARG QG . . 4.620 2.936 2.060 4.054 . 0 0 "[ . 1 . 2]" 1
107 1 29 ARG H 1 29 ARG HG3 . . 5.460 3.323 2.538 4.618 . 0 0 "[ . 1 . 2]" 1
108 1 29 ARG H 1 37 ASP HB2 . . 4.100 3.081 2.345 4.104 0.004 18 0 "[ . 1 . 2]" 1
109 1 29 ARG H 1 37 ASP QB . . 3.510 2.729 2.029 3.268 . 0 0 "[ . 1 . 2]" 1
110 1 29 ARG H 1 37 ASP HB3 . . 4.100 3.597 2.207 4.100 . 6 0 "[ . 1 . 2]" 1
111 1 29 ARG HA 1 29 ARG HD2 . . 5.500 4.494 2.445 4.927 . 0 0 "[ . 1 . 2]" 1
112 1 29 ARG HA 1 29 ARG QD . . 4.830 3.873 2.310 4.305 . 0 0 "[ . 1 . 2]" 1
113 1 29 ARG HA 1 29 ARG HD3 . . 5.500 4.345 2.373 4.863 . 0 0 "[ . 1 . 2]" 1
114 1 29 ARG HA 1 29 ARG QG . . 3.710 2.578 2.340 3.422 . 0 0 "[ . 1 . 2]" 1
115 1 29 ARG HA 1 30 ILE H . . 3.060 2.175 2.079 2.308 . 0 0 "[ . 1 . 2]" 1
116 1 29 ARG HA 1 51 THR HA . . 3.690 2.420 2.110 2.729 . 0 0 "[ . 1 . 2]" 1
117 1 29 ARG HA 1 51 THR MG . . 3.820 2.430 2.148 2.810 . 0 0 "[ . 1 . 2]" 1
118 1 29 ARG QB 1 30 ILE H . . 4.180 3.441 3.120 3.925 . 0 0 "[ . 1 . 2]" 1
119 1 30 ILE H 1 30 ILE HB . . 3.280 2.532 2.490 2.566 . 0 0 "[ . 1 . 2]" 1
120 1 30 ILE H 1 30 ILE MD . . 4.250 3.229 1.903 3.642 . 0 0 "[ . 1 . 2]" 1
121 1 30 ILE H 1 30 ILE HG12 . . 4.200 3.854 3.737 4.043 . 0 0 "[ . 1 . 2]" 1
122 1 30 ILE H 1 30 ILE QG . . 3.650 2.628 2.326 3.512 . 0 0 "[ . 1 . 2]" 1
123 1 30 ILE H 1 30 ILE HG13 . . 4.200 2.711 2.349 3.856 . 0 0 "[ . 1 . 2]" 1
124 1 30 ILE H 1 30 ILE MG . . 4.240 3.864 3.827 3.894 . 0 0 "[ . 1 . 2]" 1
125 1 30 ILE H 1 50 ALA H . . 5.080 3.488 3.346 3.643 . 0 0 "[ . 1 . 2]" 1
126 1 30 ILE H 1 51 THR HA . . 3.760 2.608 2.484 2.775 . 0 0 "[ . 1 . 2]" 1
127 1 30 ILE H 1 51 THR MG . . 3.820 3.508 3.034 3.823 0.003 5 0 "[ . 1 . 2]" 1
128 1 30 ILE H 1 52 LEU H . . 3.720 3.733 3.729 3.736 0.016 10 0 "[ . 1 . 2]" 1
129 1 30 ILE H 1 52 LEU QD . . 4.610 4.115 3.668 4.613 0.003 14 0 "[ . 1 . 2]" 1
130 1 30 ILE HA 1 30 ILE QG . . 3.680 2.548 2.499 2.650 . 0 0 "[ . 1 . 2]" 1
131 1 30 ILE HA 1 30 ILE MG . . 3.510 2.389 2.351 2.436 . 0 0 "[ . 1 . 2]" 1
132 1 30 ILE HA 1 31 GLY H . . 2.910 2.243 2.195 2.278 . 0 0 "[ . 1 . 2]" 1
133 1 30 ILE HA 1 38 ILE H . . 4.420 3.854 3.415 4.420 0.000 19 0 "[ . 1 . 2]" 1
134 1 30 ILE HA 1 38 ILE HB . . 4.370 3.576 3.209 4.152 . 0 0 "[ . 1 . 2]" 1
135 1 30 ILE HA 1 50 ALA MB . . 5.100 4.996 4.738 5.101 0.001 10 0 "[ . 1 . 2]" 1
136 1 30 ILE HB 1 30 ILE MD . . 3.250 2.399 2.329 2.592 . 0 0 "[ . 1 . 2]" 1
137 1 30 ILE HB 1 31 GLY H . . 4.130 4.135 4.134 4.137 0.007 5 0 "[ . 1 . 2]" 1
138 1 30 ILE HB 1 50 ALA H . . 3.610 2.494 2.375 2.572 . 0 0 "[ . 1 . 2]" 1
139 1 30 ILE HB 1 51 THR HA . . 4.560 4.239 4.007 4.419 . 0 0 "[ . 1 . 2]" 1
140 1 30 ILE MD 1 50 ALA MB . . 2.900 2.170 1.923 2.900 . 12 0 "[ . 1 . 2]" 1
141 1 30 ILE MD 1 51 THR H . . 4.150 4.044 3.440 4.158 0.008 15 0 "[ . 1 . 2]" 1
142 1 30 ILE MD 1 51 THR HA . . 4.480 3.666 2.274 4.174 . 0 0 "[ . 1 . 2]" 1
143 1 30 ILE MD 1 52 LEU H . . 4.490 3.640 2.132 4.400 . 0 0 "[ . 1 . 2]" 1
144 1 30 ILE MD 1 52 LEU HB2 . . 4.760 3.947 2.259 4.760 0.000 19 0 "[ . 1 . 2]" 1
145 1 30 ILE QG 1 30 ILE MG . . 3.240 2.234 2.012 2.305 . 0 0 "[ . 1 . 2]" 1
146 1 30 ILE QG 1 31 GLY H . . 4.380 4.255 4.178 4.340 . 0 0 "[ . 1 . 2]" 1
147 1 30 ILE QG 1 50 ALA MB . . 4.160 3.413 2.677 3.680 . 0 0 "[ . 1 . 2]" 1
148 1 30 ILE QG 1 51 THR H . . 5.340 5.261 5.136 5.348 0.008 12 0 "[ . 1 . 2]" 1
149 1 30 ILE MG 1 31 GLY H . . 3.210 2.575 2.501 2.615 . 0 0 "[ . 1 . 2]" 1
150 1 30 ILE MG 1 31 GLY HA2 . . 4.350 3.011 2.885 3.278 . 0 0 "[ . 1 . 2]" 1
151 1 30 ILE MG 1 40 ILE MD . . 3.290 2.371 2.133 2.784 . 0 0 "[ . 1 . 2]" 1
152 1 30 ILE MG 1 40 ILE QG . . 3.650 2.652 2.462 2.918 . 0 0 "[ . 1 . 2]" 1
153 1 30 ILE MG 1 49 HIS HB3 . . 4.520 2.664 2.451 2.825 . 0 0 "[ . 1 . 2]" 1
154 1 30 ILE MG 1 50 ALA H . . 3.960 3.465 3.209 3.573 . 0 0 "[ . 1 . 2]" 1
155 1 30 ILE MG 1 50 ALA MB . . 3.790 3.105 2.972 3.175 . 0 0 "[ . 1 . 2]" 1
156 1 30 ILE MG 1 90 ILE HB . . 4.880 3.919 3.496 4.354 . 0 0 "[ . 1 . 2]" 1
157 1 30 ILE MG 1 90 ILE MD . . 2.750 2.164 2.009 2.518 . 0 0 "[ . 1 . 2]" 1
158 1 30 ILE MG 1 90 ILE MG . . 3.940 2.716 2.349 2.948 . 0 0 "[ . 1 . 2]" 1
159 1 31 GLY H 1 39 VAL HA . . 3.570 2.896 2.826 3.012 . 0 0 "[ . 1 . 2]" 1
160 1 31 GLY H 1 39 VAL MG1 . . 4.320 4.293 3.994 4.323 0.003 3 0 "[ . 1 . 2]" 1
161 1 31 GLY H 1 39 VAL QG . . 3.400 3.307 2.879 3.405 0.005 19 0 "[ . 1 . 2]" 1
162 1 31 GLY H 1 39 VAL MG2 . . 4.320 3.448 2.923 3.691 . 0 0 "[ . 1 . 2]" 1
163 1 31 GLY H 1 40 ILE H . . 3.880 3.719 3.454 3.883 0.003 13 0 "[ . 1 . 2]" 1
164 1 31 GLY H 1 40 ILE MD . . 5.490 4.666 4.385 5.100 . 0 0 "[ . 1 . 2]" 1
165 1 31 GLY H 1 40 ILE QG . . 5.170 4.010 3.736 4.450 . 0 0 "[ . 1 . 2]" 1
166 1 31 GLY HA2 1 32 ARG H . . 3.460 2.829 2.701 2.997 . 0 0 "[ . 1 . 2]" 1
167 1 31 GLY HA2 1 33 ALA H . . 5.000 4.693 4.320 5.002 0.002 12 0 "[ . 1 . 2]" 1
168 1 31 GLY HA2 1 45 ALA MB . . 4.690 3.471 3.006 3.853 . 0 0 "[ . 1 . 2]" 1
169 1 31 GLY HA2 1 48 HIS HA . . 5.030 3.398 3.024 3.871 . 0 0 "[ . 1 . 2]" 1
170 1 31 GLY HA2 1 49 HIS H . . 4.190 2.716 2.543 2.910 . 0 0 "[ . 1 . 2]" 1
171 1 31 GLY HA2 1 49 HIS HB2 . . 4.080 2.751 2.608 3.004 . 0 0 "[ . 1 . 2]" 1
172 1 31 GLY HA2 1 49 HIS HB3 . . 4.360 2.985 2.792 3.291 . 0 0 "[ . 1 . 2]" 1
173 1 31 GLY HA2 1 50 ALA H . . 4.540 4.056 3.898 4.246 . 0 0 "[ . 1 . 2]" 1
174 1 31 GLY HA3 1 32 ARG HA . . 4.460 4.461 4.460 4.464 0.004 13 0 "[ . 1 . 2]" 1
175 1 31 GLY HA3 1 48 HIS HA . . 4.770 2.584 2.304 2.976 . 0 0 "[ . 1 . 2]" 1
176 1 31 GLY HA3 1 49 HIS HB3 . . 5.420 4.482 4.330 4.774 . 0 0 "[ . 1 . 2]" 1
177 1 31 GLY HA3 1 50 ALA H . . 4.710 4.712 4.710 4.717 0.007 20 0 "[ . 1 . 2]" 1
178 1 32 ARG H 1 32 ARG HB2 . . 3.770 2.999 2.748 3.770 0.000 3 0 "[ . 1 . 2]" 1
179 1 32 ARG H 1 32 ARG QB . . 3.150 2.396 2.258 2.865 . 0 0 "[ . 1 . 2]" 1
180 1 32 ARG H 1 32 ARG HB3 . . 3.770 2.530 2.395 2.980 . 0 0 "[ . 1 . 2]" 1
181 1 32 ARG H 1 32 ARG HG2 . . 5.240 4.207 2.524 4.750 . 0 0 "[ . 1 . 2]" 1
182 1 32 ARG H 1 32 ARG QG . . 4.410 3.744 2.418 4.107 . 0 0 "[ . 1 . 2]" 1
183 1 32 ARG H 1 32 ARG HG3 . . 5.240 4.298 3.042 4.713 . 0 0 "[ . 1 . 2]" 1
184 1 32 ARG H 1 33 ALA H . . 3.220 2.340 2.190 2.528 . 0 0 "[ . 1 . 2]" 1
185 1 32 ARG H 1 33 ALA HA . . 5.020 4.956 4.876 5.024 0.004 19 0 "[ . 1 . 2]" 1
186 1 32 ARG H 1 33 ALA MB . . 4.070 4.071 4.065 4.074 0.004 12 0 "[ . 1 . 2]" 1
187 1 32 ARG H 1 39 VAL QG . . 4.400 3.709 3.459 3.888 . 0 0 "[ . 1 . 2]" 1
188 1 32 ARG H 1 47 ARG HA . . 3.490 2.371 1.918 2.631 . 0 0 "[ . 1 . 2]" 1
189 1 32 ARG HA 1 39 VAL HB . . 5.070 5.076 5.071 5.080 0.010 4 0 "[ . 1 . 2]" 1
190 1 32 ARG HA 1 39 VAL QG . . 3.830 2.053 2.000 2.165 . 0 0 "[ . 1 . 2]" 1
191 1 32 ARG QB 1 33 ALA H . . 4.080 3.239 2.641 3.969 . 0 0 "[ . 1 . 2]" 1
192 1 32 ARG QB 1 33 ALA HA . . 4.820 4.463 4.110 4.601 . 0 0 "[ . 1 . 2]" 1
193 1 32 ARG QB 1 47 ARG HA . . 3.660 2.337 1.901 3.660 . 19 0 "[ . 1 . 2]" 1
194 1 32 ARG HB2 1 47 ARG HA . . 4.250 3.530 2.271 4.262 0.012 19 0 "[ . 1 . 2]" 1
195 1 32 ARG HB3 1 47 ARG HA . . 4.250 2.395 2.034 3.986 . 0 0 "[ . 1 . 2]" 1
196 1 32 ARG QG 1 33 ALA MB . . 4.500 3.772 2.763 4.226 . 0 0 "[ . 1 . 2]" 1
197 1 33 ALA H 1 33 ALA MB . . 3.040 2.347 2.249 2.446 . 0 0 "[ . 1 . 2]" 1
198 1 33 ALA H 1 39 VAL MG1 . . 4.620 3.709 3.146 4.291 . 0 0 "[ . 1 . 2]" 1
199 1 33 ALA H 1 39 VAL QG . . 3.840 3.136 2.971 3.261 . 0 0 "[ . 1 . 2]" 1
200 1 33 ALA H 1 39 VAL MG2 . . 4.620 3.443 3.168 3.724 . 0 0 "[ . 1 . 2]" 1
201 1 33 ALA H 1 47 ARG HA . . 3.750 3.194 2.879 3.753 0.003 16 0 "[ . 1 . 2]" 1
202 1 33 ALA H 1 47 ARG HB2 . . 5.500 4.781 3.757 5.503 0.003 2 0 "[ . 1 . 2]" 1
203 1 33 ALA H 1 47 ARG HB3 . . 5.500 4.959 4.050 5.505 0.005 3 0 "[ . 1 . 2]" 1
204 1 33 ALA HA 1 34 ASN H . . 3.250 2.205 2.071 2.332 . 0 0 "[ . 1 . 2]" 1
205 1 33 ALA HA 1 35 ASP H . . 4.230 4.024 3.862 4.165 . 0 0 "[ . 1 . 2]" 1
206 1 33 ALA HA 1 39 VAL HB . . 5.420 5.429 5.426 5.432 0.012 2 0 "[ . 1 . 2]" 1
207 1 33 ALA MB 1 34 ASN H . . 3.780 2.735 2.509 3.131 . 0 0 "[ . 1 . 2]" 1
208 1 33 ALA MB 1 35 ASP H . . 3.360 2.894 2.633 3.125 . 0 0 "[ . 1 . 2]" 1
209 1 33 ALA MB 1 36 ASN H . . 4.020 4.023 4.021 4.026 0.006 9 0 "[ . 1 . 2]" 1
210 1 33 ALA MB 1 36 ASN HD22 . . 3.700 3.047 2.286 3.573 . 0 0 "[ . 1 . 2]" 1
211 1 33 ALA MB 1 47 ARG HA . . 4.870 3.704 3.087 4.737 . 0 0 "[ . 1 . 2]" 1
212 1 34 ASN H 1 34 ASN HB2 . . 4.080 3.374 2.364 3.552 . 0 0 "[ . 1 . 2]" 1
213 1 34 ASN H 1 34 ASN QB . . 3.570 2.464 2.180 2.547 . 0 0 "[ . 1 . 2]" 1
214 1 34 ASN H 1 34 ASN HB3 . . 4.080 2.563 2.516 2.609 . 0 0 "[ . 1 . 2]" 1
215 1 34 ASN H 1 35 ASP H . . 4.000 2.924 2.875 2.996 . 0 0 "[ . 1 . 2]" 1
216 1 34 ASN HA 1 35 ASP HA . . 4.640 4.617 4.541 4.643 0.003 12 0 "[ . 1 . 2]" 1
217 1 34 ASN HA 1 36 ASN H . . 3.800 3.094 2.856 3.546 . 0 0 "[ . 1 . 2]" 1
218 1 34 ASN HA 1 39 VAL MG1 . . 3.760 3.759 3.667 3.768 0.008 16 0 "[ . 1 . 2]" 1
219 1 34 ASN HA 1 39 VAL QG . . 3.160 1.956 1.892 2.037 . 0 0 "[ . 1 . 2]" 1
220 1 34 ASN HA 1 39 VAL MG2 . . 3.760 1.962 1.897 2.046 . 0 0 "[ . 1 . 2]" 1
221 1 34 ASN QB 1 39 VAL QG . . 3.800 2.774 2.531 2.955 . 0 0 "[ . 1 . 2]" 1
222 1 34 ASN HB2 1 35 ASP H . . 5.250 4.509 4.478 4.554 . 0 0 "[ . 1 . 2]" 1
223 1 34 ASN HB2 1 39 VAL MG1 . . 4.950 4.680 3.299 4.955 0.005 19 0 "[ . 1 . 2]" 1
224 1 34 ASN HB2 1 39 VAL MG2 . . 4.950 3.602 2.802 3.918 . 0 0 "[ . 1 . 2]" 1
225 1 34 ASN HB3 1 35 ASP H . . 5.250 4.481 4.033 4.590 . 0 0 "[ . 1 . 2]" 1
226 1 34 ASN HB3 1 39 VAL MG1 . . 4.950 3.824 2.980 4.953 0.003 18 0 "[ . 1 . 2]" 1
227 1 34 ASN HB3 1 39 VAL MG2 . . 4.950 3.212 2.856 4.234 . 0 0 "[ . 1 . 2]" 1
228 1 35 ASP H 1 35 ASP HB2 . . 3.970 2.501 2.404 2.773 . 0 0 "[ . 1 . 2]" 1
229 1 35 ASP H 1 35 ASP QB . . 3.280 2.391 2.289 2.437 . 0 0 "[ . 1 . 2]" 1
230 1 35 ASP H 1 35 ASP HB3 . . 3.970 3.424 2.477 3.673 . 0 0 "[ . 1 . 2]" 1
231 1 35 ASP H 1 36 ASN H . . 3.140 2.152 2.055 2.282 . 0 0 "[ . 1 . 2]" 1
232 1 35 ASP H 1 36 ASN HB3 . . 5.500 5.505 5.501 5.507 0.007 10 0 "[ . 1 . 2]" 1
233 1 35 ASP H 1 39 VAL QG . . 4.380 3.703 3.554 3.891 . 0 0 "[ . 1 . 2]" 1
234 1 35 ASP HA 1 36 ASN HA . . 4.590 4.594 4.592 4.598 0.008 14 0 "[ . 1 . 2]" 1
235 1 35 ASP QB 1 36 ASN H . . 3.990 3.165 3.029 3.429 . 0 0 "[ . 1 . 2]" 1
236 1 35 ASP QB 1 36 ASN HA . . 4.520 3.939 3.524 4.285 . 0 0 "[ . 1 . 2]" 1
237 1 35 ASP QB 1 36 ASN HB2 . . 4.870 4.861 4.789 4.873 0.003 9 0 "[ . 1 . 2]" 1
238 1 35 ASP HB2 1 36 ASN H . . 4.760 3.471 3.184 4.291 . 0 0 "[ . 1 . 2]" 1
239 1 35 ASP HB3 1 36 ASN H . . 4.760 4.012 3.113 4.401 . 0 0 "[ . 1 . 2]" 1
240 1 36 ASN H 1 36 ASN HB2 . . 3.490 2.324 2.232 2.391 . 0 0 "[ . 1 . 2]" 1
241 1 36 ASN H 1 36 ASN HB3 . . 3.510 3.504 3.456 3.514 0.004 20 0 "[ . 1 . 2]" 1
242 1 36 ASN H 1 36 ASN HD21 . . 4.210 3.009 2.300 3.939 . 0 0 "[ . 1 . 2]" 1
243 1 36 ASN H 1 38 ILE H . . 4.700 4.708 4.703 4.712 0.012 9 0 "[ . 1 . 2]" 1
244 1 36 ASN H 1 39 VAL QG . . 3.920 3.215 2.979 3.479 . 0 0 "[ . 1 . 2]" 1
245 1 36 ASN HB2 1 37 ASP QB . . 4.810 4.792 4.515 4.820 0.010 12 0 "[ . 1 . 2]" 1
246 1 36 ASN HB2 1 38 ILE H . . 4.760 3.212 2.809 3.716 . 0 0 "[ . 1 . 2]" 1
247 1 36 ASN HB2 1 39 VAL QG . . 4.070 2.691 2.172 3.354 . 0 0 "[ . 1 . 2]" 1
248 1 36 ASN HB3 1 38 ILE H . . 4.240 3.272 2.420 4.190 . 0 0 "[ . 1 . 2]" 1
249 1 36 ASN HB3 1 39 VAL QG . . 4.700 4.052 3.582 4.703 0.003 8 0 "[ . 1 . 2]" 1
250 1 36 ASN HD21 1 39 VAL QG . . 5.160 3.200 2.815 4.421 . 0 0 "[ . 1 . 2]" 1
251 1 37 ASP QB 1 38 ILE H . . 3.390 2.640 2.532 2.711 . 0 0 "[ . 1 . 2]" 1
252 1 37 ASP HB2 1 38 ILE H . . 3.880 3.256 2.713 3.883 0.003 9 0 "[ . 1 . 2]" 1
253 1 37 ASP HB3 1 38 ILE H . . 3.880 3.244 2.566 3.781 . 0 0 "[ . 1 . 2]" 1
254 1 38 ILE H 1 38 ILE HB . . 3.420 2.921 2.739 3.056 . 0 0 "[ . 1 . 2]" 1
255 1 38 ILE H 1 38 ILE HG12 . . 5.070 4.260 4.129 4.352 . 0 0 "[ . 1 . 2]" 1
256 1 38 ILE H 1 38 ILE QG . . 4.310 3.223 3.033 3.353 . 0 0 "[ . 1 . 2]" 1
257 1 38 ILE H 1 38 ILE HG13 . . 5.070 3.338 3.118 3.487 . 0 0 "[ . 1 . 2]" 1
258 1 38 ILE H 1 38 ILE MG . . 4.250 3.980 3.916 4.031 . 0 0 "[ . 1 . 2]" 1
259 1 38 ILE H 1 39 VAL H . . 4.220 4.215 4.175 4.224 0.004 19 0 "[ . 1 . 2]" 1
260 1 38 ILE HA 1 38 ILE QG . . 3.740 2.385 2.329 2.426 . 0 0 "[ . 1 . 2]" 1
261 1 38 ILE HA 1 38 ILE MG . . 3.380 2.486 2.450 2.512 . 0 0 "[ . 1 . 2]" 1
262 1 38 ILE HA 1 39 VAL H . . 2.840 2.146 2.064 2.205 . 0 0 "[ . 1 . 2]" 1
263 1 38 ILE HA 1 39 VAL HB . . 4.410 4.400 4.287 4.412 0.002 20 0 "[ . 1 . 2]" 1
264 1 38 ILE HB 1 38 ILE MD . . 3.500 2.488 2.455 2.529 . 0 0 "[ . 1 . 2]" 1
265 1 38 ILE MD 1 38 ILE MG . . 3.110 2.063 2.050 2.079 . 0 0 "[ . 1 . 2]" 1
266 1 38 ILE MG 1 39 VAL H . . 3.430 2.628 2.519 2.829 . 0 0 "[ . 1 . 2]" 1
267 1 39 VAL H 1 39 VAL HB . . 3.210 2.669 2.634 2.704 . 0 0 "[ . 1 . 2]" 1
268 1 39 VAL H 1 39 VAL MG1 . . 4.730 3.829 3.792 3.862 . 0 0 "[ . 1 . 2]" 1
269 1 39 VAL H 1 39 VAL QG . . 3.280 2.793 2.621 2.968 . 0 0 "[ . 1 . 2]" 1
270 1 39 VAL H 1 39 VAL MG2 . . 4.730 2.873 2.668 3.100 . 0 0 "[ . 1 . 2]" 1
271 1 39 VAL H 1 40 ILE QG . . 5.190 4.796 4.628 4.953 . 0 0 "[ . 1 . 2]" 1
272 1 39 VAL HA 1 39 VAL MG1 . . 3.550 2.415 2.313 2.567 . 0 0 "[ . 1 . 2]" 1
273 1 39 VAL HA 1 39 VAL MG2 . . 3.550 2.213 2.102 2.291 . 0 0 "[ . 1 . 2]" 1
274 1 39 VAL HA 1 40 ILE H . . 2.990 2.161 2.125 2.208 . 0 0 "[ . 1 . 2]" 1
275 1 39 VAL QG 1 40 ILE H . . 3.260 2.506 2.396 2.637 . 0 0 "[ . 1 . 2]" 1
276 1 39 VAL QG 1 41 PRO HA . . 4.690 3.495 3.074 3.703 . 0 0 "[ . 1 . 2]" 1
277 1 39 VAL QG 1 41 PRO QD . . 4.050 3.652 3.442 3.977 . 0 0 "[ . 1 . 2]" 1
278 1 39 VAL MG1 1 40 ILE H . . 4.050 2.542 2.439 2.678 . 0 0 "[ . 1 . 2]" 1
279 1 39 VAL MG2 1 40 ILE H . . 4.050 3.801 3.516 3.982 . 0 0 "[ . 1 . 2]" 1
280 1 40 ILE H 1 40 ILE HB . . 3.560 2.632 2.570 2.691 . 0 0 "[ . 1 . 2]" 1
281 1 40 ILE H 1 40 ILE MD . . 4.340 3.840 3.762 3.914 . 0 0 "[ . 1 . 2]" 1
282 1 40 ILE H 1 40 ILE HG12 . . 4.240 3.791 3.729 3.861 . 0 0 "[ . 1 . 2]" 1
283 1 40 ILE H 1 40 ILE QG . . 3.560 2.524 2.468 2.610 . 0 0 "[ . 1 . 2]" 1
284 1 40 ILE H 1 40 ILE HG13 . . 4.240 2.563 2.505 2.654 . 0 0 "[ . 1 . 2]" 1
285 1 40 ILE HA 1 40 ILE MD . . 3.980 3.915 3.898 3.936 . 0 0 "[ . 1 . 2]" 1
286 1 40 ILE HA 1 40 ILE MG . . 3.490 2.373 2.346 2.425 . 0 0 "[ . 1 . 2]" 1
287 1 40 ILE HA 1 41 PRO HD2 . . 3.560 2.231 2.188 2.341 . 0 0 "[ . 1 . 2]" 1
288 1 40 ILE HA 1 41 PRO QD . . 3.090 2.098 2.083 2.152 . 0 0 "[ . 1 . 2]" 1
289 1 40 ILE HA 1 41 PRO HD3 . . 3.560 2.558 2.509 2.627 . 0 0 "[ . 1 . 2]" 1
290 1 40 ILE HB 1 40 ILE MD . . 3.740 2.421 2.409 2.442 . 0 0 "[ . 1 . 2]" 1
291 1 40 ILE HB 1 42 GLU H . . 4.110 3.465 3.116 3.575 . 0 0 "[ . 1 . 2]" 1
292 1 40 ILE HB 1 42 GLU HB2 . . 3.250 3.255 3.254 3.256 0.006 1 0 "[ . 1 . 2]" 1
293 1 40 ILE HB 1 93 ILE HG13 . . 4.770 4.738 4.533 4.772 0.002 14 0 "[ . 1 . 2]" 1
294 1 40 ILE MD 1 40 ILE MG . . 2.660 2.062 2.043 2.076 . 0 0 "[ . 1 . 2]" 1
295 1 40 ILE MD 1 42 GLU HB2 . . 4.350 4.217 4.117 4.312 . 0 0 "[ . 1 . 2]" 1
296 1 40 ILE MD 1 45 ALA MB . . 4.440 3.156 2.836 3.385 . 0 0 "[ . 1 . 2]" 1
297 1 40 ILE MD 1 90 ILE HB . . 3.710 2.461 2.237 2.859 . 0 0 "[ . 1 . 2]" 1
298 1 40 ILE MD 1 90 ILE MG . . 3.700 2.057 1.987 2.185 . 0 0 "[ . 1 . 2]" 1
299 1 40 ILE MD 1 93 ILE H . . 5.270 4.435 4.198 4.744 . 0 0 "[ . 1 . 2]" 1
300 1 40 ILE MD 1 93 ILE HB . . 4.510 2.919 2.726 3.270 . 0 0 "[ . 1 . 2]" 1
301 1 40 ILE MD 1 93 ILE HG13 . . 4.190 3.476 2.753 4.026 . 0 0 "[ . 1 . 2]" 1
302 1 40 ILE QG 1 90 ILE MG . . 5.200 3.906 3.796 4.065 . 0 0 "[ . 1 . 2]" 1
303 1 40 ILE HG12 1 40 ILE MG . . 3.440 2.360 2.327 2.380 . 0 0 "[ . 1 . 2]" 1
304 1 40 ILE HG13 1 40 ILE MG . . 3.440 3.259 3.246 3.263 . 0 0 "[ . 1 . 2]" 1
305 1 40 ILE MG 1 41 PRO HA . . 5.280 4.205 4.130 4.331 . 0 0 "[ . 1 . 2]" 1
306 1 40 ILE MG 1 41 PRO QD . . 3.820 2.389 2.126 2.506 . 0 0 "[ . 1 . 2]" 1
307 1 40 ILE MG 1 41 PRO HG2 . . 4.270 3.592 3.352 3.688 . 0 0 "[ . 1 . 2]" 1
308 1 40 ILE MG 1 41 PRO HG3 . . 4.700 4.579 4.292 4.689 . 0 0 "[ . 1 . 2]" 1
309 1 40 ILE MG 1 42 GLU H . . 3.480 2.826 1.851 3.106 . 0 0 "[ . 1 . 2]" 1
310 1 40 ILE MG 1 42 GLU HB2 . . 4.250 2.591 2.456 2.723 . 0 0 "[ . 1 . 2]" 1
311 1 40 ILE MG 1 42 GLU HB3 . . 4.510 3.838 3.751 3.952 . 0 0 "[ . 1 . 2]" 1
312 1 40 ILE MG 1 42 GLU HG2 . . 4.090 2.087 2.001 2.189 . 0 0 "[ . 1 . 2]" 1
313 1 40 ILE MG 1 42 GLU HG3 . . 4.180 2.653 2.559 2.855 . 0 0 "[ . 1 . 2]" 1
314 1 40 ILE MG 1 45 ALA MB . . 4.030 3.233 2.926 3.471 . 0 0 "[ . 1 . 2]" 1
315 1 40 ILE MG 1 90 ILE MG . . 4.980 3.593 3.471 3.836 . 0 0 "[ . 1 . 2]" 1
316 1 40 ILE MG 1 91 GLY HA3 . . 5.500 3.644 3.282 3.987 . 0 0 "[ . 1 . 2]" 1
317 1 40 ILE MG 1 93 ILE HG13 . . 3.210 2.096 1.981 2.217 . 0 0 "[ . 1 . 2]" 1
318 1 41 PRO HA 1 42 GLU H . . 3.260 2.679 2.543 3.260 . 0 0 "[ . 1 . 2]" 1
319 1 41 PRO QD 1 42 GLU H . . 4.460 4.077 3.180 4.259 . 0 0 "[ . 1 . 2]" 1
320 1 41 PRO HG2 1 42 GLU H . . 4.770 4.503 3.384 4.717 . 0 0 "[ . 1 . 2]" 1
321 1 42 GLU H 1 42 GLU HB2 . . 3.160 2.476 2.288 2.529 . 0 0 "[ . 1 . 2]" 1
322 1 42 GLU H 1 42 GLU HB3 . . 3.690 3.676 3.575 3.694 0.004 3 0 "[ . 1 . 2]" 1
323 1 42 GLU H 1 42 GLU HG2 . . 3.780 3.325 2.612 3.500 . 0 0 "[ . 1 . 2]" 1
324 1 42 GLU H 1 45 ALA MB . . 4.030 2.991 2.789 3.420 . 0 0 "[ . 1 . 2]" 1
325 1 42 GLU HA 1 42 GLU HG2 . . 3.720 2.885 2.810 3.005 . 0 0 "[ . 1 . 2]" 1
326 1 42 GLU HA 1 43 VAL H . . 2.730 2.119 2.068 2.176 . 0 0 "[ . 1 . 2]" 1
327 1 42 GLU HA 1 43 VAL HA . . 4.510 4.349 4.319 4.374 . 0 0 "[ . 1 . 2]" 1
328 1 42 GLU HA 1 44 LEU H . . 4.400 3.682 3.556 3.814 . 0 0 "[ . 1 . 2]" 1
329 1 42 GLU HB2 1 43 VAL H . . 4.350 4.202 4.134 4.284 . 0 0 "[ . 1 . 2]" 1
330 1 42 GLU HB2 1 45 ALA H . . 3.970 3.026 2.786 3.208 . 0 0 "[ . 1 . 2]" 1
331 1 42 GLU HB2 1 45 ALA HA . . 4.280 4.283 4.281 4.284 0.004 16 0 "[ . 1 . 2]" 1
332 1 42 GLU HB2 1 45 ALA MB . . 3.410 2.217 2.116 2.327 . 0 0 "[ . 1 . 2]" 1
333 1 42 GLU HB3 1 43 VAL H . . 3.800 3.042 2.927 3.164 . 0 0 "[ . 1 . 2]" 1
334 1 42 GLU HB3 1 44 LEU H . . 4.200 2.192 2.098 2.270 . 0 0 "[ . 1 . 2]" 1
335 1 42 GLU HB3 1 45 ALA H . . 4.200 2.683 2.387 2.907 . 0 0 "[ . 1 . 2]" 1
336 1 42 GLU HB3 1 45 ALA MB . . 4.180 3.222 3.033 3.429 . 0 0 "[ . 1 . 2]" 1
337 1 42 GLU HG2 1 45 ALA MB . . 5.170 4.344 4.181 4.481 . 0 0 "[ . 1 . 2]" 1
338 1 42 GLU HG2 1 93 ILE MD . . 3.700 3.136 2.768 3.363 . 0 0 "[ . 1 . 2]" 1
339 1 42 GLU HG2 1 93 ILE HG13 . . 4.500 3.088 2.515 3.769 . 0 0 "[ . 1 . 2]" 1
340 1 42 GLU HG3 1 44 LEU H . . 4.440 4.443 4.441 4.444 0.004 2 0 "[ . 1 . 2]" 1
341 1 42 GLU HG3 1 45 ALA MB . . 4.640 4.025 3.752 4.247 . 0 0 "[ . 1 . 2]" 1
342 1 42 GLU HG3 1 91 GLY HA3 . . 4.550 2.731 2.371 3.096 . 0 0 "[ . 1 . 2]" 1
343 1 43 VAL H 1 43 VAL HB . . 3.710 2.694 2.348 3.628 . 0 0 "[ . 1 . 2]" 1
344 1 43 VAL H 1 43 VAL QG . . 2.930 2.082 1.867 2.189 . 0 0 "[ . 1 . 2]" 1
345 1 43 VAL H 1 44 LEU H . . 3.380 2.551 2.533 2.580 . 0 0 "[ . 1 . 2]" 1
346 1 43 VAL H 1 44 LEU HA . . 5.150 5.151 5.150 5.153 0.003 5 0 "[ . 1 . 2]" 1
347 1 43 VAL H 1 44 LEU QD . . 5.400 4.471 3.264 5.401 0.001 2 0 "[ . 1 . 2]" 1
348 1 43 VAL HA 1 45 ALA H . . 4.040 3.761 3.621 3.890 . 0 0 "[ . 1 . 2]" 1
349 1 43 VAL HA 1 45 ALA MB . . 5.190 4.771 4.506 4.937 . 0 0 "[ . 1 . 2]" 1
350 1 43 VAL QG 1 44 LEU H . . 4.000 2.902 2.420 3.324 . 0 0 "[ . 1 . 2]" 1
351 1 43 VAL MG1 1 44 LEU H . . 4.600 3.413 2.441 4.161 . 0 0 "[ . 1 . 2]" 1
352 1 43 VAL MG2 1 44 LEU H . . 4.600 3.633 2.516 4.009 . 0 0 "[ . 1 . 2]" 1
353 1 44 LEU H 1 44 LEU QB . . 3.100 2.355 2.169 2.437 . 0 0 "[ . 1 . 2]" 1
354 1 44 LEU H 1 44 LEU MD1 . . 4.300 3.556 2.091 4.039 . 0 0 "[ . 1 . 2]" 1
355 1 44 LEU H 1 44 LEU QD . . 3.710 3.049 2.079 3.675 . 0 0 "[ . 1 . 2]" 1
356 1 44 LEU H 1 44 LEU MD2 . . 4.300 3.449 2.100 4.225 . 0 0 "[ . 1 . 2]" 1
357 1 44 LEU H 1 45 ALA MB . . 4.390 4.288 4.160 4.390 0.000 8 0 "[ . 1 . 2]" 1
358 1 44 LEU H 1 91 GLY HA2 . . 4.680 4.640 4.498 4.682 0.002 12 0 "[ . 1 . 2]" 1
359 1 44 LEU HA 1 44 LEU MD1 . . 4.410 3.637 2.139 3.946 . 0 0 "[ . 1 . 2]" 1
360 1 44 LEU HA 1 44 LEU QD . . 3.000 2.186 2.123 3.004 0.004 10 0 "[ . 1 . 2]" 1
361 1 44 LEU HA 1 44 LEU MD2 . . 4.410 2.427 2.132 3.963 . 0 0 "[ . 1 . 2]" 1
362 1 44 LEU HA 1 45 ALA HA . . 4.660 4.653 4.612 4.662 0.002 2 0 "[ . 1 . 2]" 1
363 1 44 LEU HA 1 68 ASN HD21 . . 4.380 3.335 2.579 4.379 . 0 0 "[ . 1 . 2]" 1
364 1 44 LEU HA 1 68 ASN QD . . 3.610 2.825 2.298 3.503 . 0 0 "[ . 1 . 2]" 1
365 1 44 LEU HA 1 68 ASN HD22 . . 4.380 3.077 2.581 3.747 . 0 0 "[ . 1 . 2]" 1
366 1 44 LEU QB 1 44 LEU QD . . 2.840 1.986 1.911 2.105 . 0 0 "[ . 1 . 2]" 1
367 1 44 LEU QB 1 45 ALA H . . 3.900 3.418 3.209 3.561 . 0 0 "[ . 1 . 2]" 1
368 1 44 LEU QB 1 68 ASN QD . . 3.840 3.205 2.618 3.845 0.005 2 0 "[ . 1 . 2]" 1
369 1 44 LEU QB 1 91 GLY HA2 . . 3.770 2.182 2.043 2.341 . 0 0 "[ . 1 . 2]" 1
370 1 44 LEU QB 1 91 GLY HA3 . . 3.830 2.938 2.710 3.320 . 0 0 "[ . 1 . 2]" 1
371 1 44 LEU QD 1 68 ASN QD . . 3.470 3.088 2.189 3.473 0.003 10 0 "[ . 1 . 2]" 1
372 1 44 LEU QD 1 91 GLY HA2 . . 4.040 2.895 2.097 3.868 . 0 0 "[ . 1 . 2]" 1
373 1 44 LEU QD 1 91 GLY HA3 . . 5.440 3.862 3.316 4.434 . 0 0 "[ . 1 . 2]" 1
374 1 44 LEU QD 1 92 ASN H . . 4.920 3.867 3.206 4.921 0.001 11 0 "[ . 1 . 2]" 1
375 1 44 LEU QD 1 92 ASN QB . . 4.800 3.146 2.655 3.678 . 0 0 "[ . 1 . 2]" 1
376 1 44 LEU QD 1 92 ASN QD . . 3.460 2.523 2.303 2.821 . 0 0 "[ . 1 . 2]" 1
377 1 45 ALA H 1 45 ALA MB . . 2.920 2.288 2.240 2.349 . 0 0 "[ . 1 . 2]" 1
378 1 45 ALA H 1 46 SER H . . 4.500 4.488 4.421 4.505 0.005 10 0 "[ . 1 . 2]" 1
379 1 45 ALA HA 1 46 SER H . . 3.500 2.227 2.162 2.307 . 0 0 "[ . 1 . 2]" 1
380 1 45 ALA HA 1 49 HIS HE1 . . 3.660 3.615 3.361 3.662 0.002 5 0 "[ . 1 . 2]" 1
381 1 45 ALA HA 1 90 ILE MG . . 4.400 3.541 3.232 3.735 . 0 0 "[ . 1 . 2]" 1
382 1 45 ALA MB 1 46 SER H . . 3.900 3.076 2.523 3.334 . 0 0 "[ . 1 . 2]" 1
383 1 45 ALA MB 1 49 HIS HB2 . . 4.380 3.377 3.140 3.641 . 0 0 "[ . 1 . 2]" 1
384 1 45 ALA MB 1 90 ILE MG . . 3.340 3.227 2.852 3.342 0.002 16 0 "[ . 1 . 2]" 1
385 1 45 ALA MB 1 91 GLY HA3 . . 4.650 3.710 3.361 4.132 . 0 0 "[ . 1 . 2]" 1
386 1 46 SER H 1 46 SER QB . . 3.610 2.403 2.327 2.467 . 0 0 "[ . 1 . 2]" 1
387 1 46 SER H 1 49 HIS HB2 . . 4.280 2.541 2.339 2.901 . 0 0 "[ . 1 . 2]" 1
388 1 46 SER H 1 49 HIS HB3 . . 4.430 4.142 4.002 4.430 . 0 0 "[ . 1 . 2]" 1
389 1 46 SER H 1 49 HIS HE1 . . 3.890 3.694 3.332 3.892 0.002 17 0 "[ . 1 . 2]" 1
390 1 46 SER QB 1 47 ARG H . . 4.270 2.878 2.434 3.448 . 0 0 "[ . 1 . 2]" 1
391 1 46 SER QB 1 49 HIS HA . . 3.460 2.313 2.094 2.521 . 0 0 "[ . 1 . 2]" 1
392 1 46 SER HB2 1 49 HIS HA . . 4.250 3.010 2.109 3.986 . 0 0 "[ . 1 . 2]" 1
393 1 46 SER HB2 1 49 HIS HB2 . . 4.330 3.461 2.719 4.333 0.003 17 0 "[ . 1 . 2]" 1
394 1 46 SER HB3 1 49 HIS HA . . 4.250 3.123 2.217 3.848 . 0 0 "[ . 1 . 2]" 1
395 1 46 SER HB3 1 49 HIS HB2 . . 4.330 3.750 2.921 4.332 0.002 2 0 "[ . 1 . 2]" 1
396 1 47 ARG H 1 47 ARG QG . . 4.350 2.637 2.179 4.028 . 0 0 "[ . 1 . 2]" 1
397 1 47 ARG HA 1 47 ARG QD . . 4.670 4.258 3.839 4.598 . 0 0 "[ . 1 . 2]" 1
398 1 47 ARG HA 1 47 ARG QG . . 3.520 2.934 2.365 3.524 0.004 16 0 "[ . 1 . 2]" 1
399 1 47 ARG QB 1 47 ARG QD . . 3.200 2.265 2.158 2.466 . 0 0 "[ . 1 . 2]" 1
400 1 47 ARG QB 1 48 HIS H . . 4.020 3.034 2.476 3.649 . 0 0 "[ . 1 . 2]" 1
401 1 47 ARG HB2 1 48 HIS H . . 4.640 3.503 2.559 4.038 . 0 0 "[ . 1 . 2]" 1
402 1 47 ARG HB3 1 48 HIS H . . 4.640 3.613 2.505 4.161 . 0 0 "[ . 1 . 2]" 1
403 1 47 ARG QG 1 48 HIS H . . 4.440 3.132 2.161 4.270 . 0 0 "[ . 1 . 2]" 1
404 1 48 HIS HA 1 49 HIS HA . . 4.920 4.418 4.370 4.463 . 0 0 "[ . 1 . 2]" 1
405 1 48 HIS HA 1 50 ALA H . . 4.080 4.045 3.878 4.085 0.005 4 0 "[ . 1 . 2]" 1
406 1 49 HIS H 1 49 HIS HB2 . . 3.880 2.828 2.737 2.922 . 0 0 "[ . 1 . 2]" 1
407 1 49 HIS H 1 49 HIS HB3 . . 4.040 2.614 2.568 2.700 . 0 0 "[ . 1 . 2]" 1
408 1 49 HIS HB2 1 50 ALA H . . 3.800 3.799 3.775 3.805 0.005 18 0 "[ . 1 . 2]" 1
409 1 49 HIS HB2 1 90 ILE MG . . 4.450 3.878 3.593 4.075 . 0 0 "[ . 1 . 2]" 1
410 1 49 HIS HB3 1 50 ALA H . . 3.430 2.552 2.461 2.612 . 0 0 "[ . 1 . 2]" 1
411 1 49 HIS HD2 1 50 ALA MB . . 3.540 2.466 2.189 2.895 . 0 0 "[ . 1 . 2]" 1
412 1 49 HIS HD2 1 70 THR MG . . 4.250 3.875 3.555 4.215 . 0 0 "[ . 1 . 2]" 1
413 1 49 HIS HD2 1 90 ILE MD . . 3.970 2.886 2.401 3.234 . 0 0 "[ . 1 . 2]" 1
414 1 49 HIS HD2 1 90 ILE HG12 . . 4.020 2.993 2.630 3.309 . 0 0 "[ . 1 . 2]" 1
415 1 49 HIS HD2 1 90 ILE MG . . 4.180 2.717 2.412 3.030 . 0 0 "[ . 1 . 2]" 1
416 1 49 HIS HE1 1 68 ASN H . . 5.140 4.235 3.806 4.745 . 0 0 "[ . 1 . 2]" 1
417 1 49 HIS HE1 1 68 ASN HB2 . . 4.110 2.301 2.120 2.700 . 0 0 "[ . 1 . 2]" 1
418 1 49 HIS HE1 1 68 ASN HB3 . . 4.110 3.321 2.285 3.915 . 0 0 "[ . 1 . 2]" 1
419 1 49 HIS HE1 1 68 ASN QD . . 3.700 3.222 2.098 3.702 0.002 16 0 "[ . 1 . 2]" 1
420 1 49 HIS HE1 1 69 GLY H . . 4.800 3.704 3.090 4.592 . 0 0 "[ . 1 . 2]" 1
421 1 49 HIS HE1 1 90 ILE HA . . 5.070 4.944 4.756 5.072 0.002 14 0 "[ . 1 . 2]" 1
422 1 49 HIS HE1 1 90 ILE MG . . 4.020 3.492 3.062 3.906 . 0 0 "[ . 1 . 2]" 1
423 1 49 HIS HE1 1 91 GLY H . . 4.150 4.134 3.876 4.153 0.003 16 0 "[ . 1 . 2]" 1
424 1 49 HIS HE2 1 70 THR HA . . 4.380 3.364 3.126 3.732 . 0 0 "[ . 1 . 2]" 1
425 1 49 HIS HE2 1 90 ILE MG . . 4.290 2.779 2.545 2.930 . 0 0 "[ . 1 . 2]" 1
426 1 50 ALA H 1 50 ALA MB . . 3.420 2.732 2.679 2.798 . 0 0 "[ . 1 . 2]" 1
427 1 50 ALA H 1 90 ILE MD . . 4.740 4.390 4.003 4.644 . 0 0 "[ . 1 . 2]" 1
428 1 50 ALA H 1 90 ILE MG . . 4.960 4.936 4.775 4.965 0.005 4 0 "[ . 1 . 2]" 1
429 1 50 ALA HA 1 51 THR H . . 3.150 2.439 2.312 2.554 . 0 0 "[ . 1 . 2]" 1
430 1 50 ALA HA 1 63 ASP HA . . 3.920 2.800 2.384 3.677 . 0 0 "[ . 1 . 2]" 1
431 1 50 ALA HA 1 64 ASN H . . 4.110 3.212 2.681 3.872 . 0 0 "[ . 1 . 2]" 1
432 1 50 ALA HA 1 64 ASN QB . . 4.650 4.210 3.637 4.652 0.002 20 0 "[ . 1 . 2]" 1
433 1 50 ALA MB 1 51 THR H . . 3.170 2.483 2.144 2.714 . 0 0 "[ . 1 . 2]" 1
434 1 50 ALA MB 1 51 THR HA . . 4.440 3.910 3.652 4.097 . 0 0 "[ . 1 . 2]" 1
435 1 50 ALA MB 1 51 THR MG . . 4.790 4.527 4.308 4.808 0.018 5 0 "[ . 1 . 2]" 1
436 1 50 ALA MB 1 52 LEU QD . . 3.460 3.196 2.792 3.462 0.002 19 0 "[ . 1 . 2]" 1
437 1 50 ALA MB 1 62 ARG H . . 5.070 3.756 3.587 3.936 . 0 0 "[ . 1 . 2]" 1
438 1 50 ALA MB 1 63 ASP HA . . 3.820 2.849 2.528 3.169 . 0 0 "[ . 1 . 2]" 1
439 1 50 ALA MB 1 64 ASN H . . 4.770 3.616 3.309 4.012 . 0 0 "[ . 1 . 2]" 1
440 1 50 ALA MB 1 70 THR HB . . 4.400 4.185 3.826 4.401 0.001 7 0 "[ . 1 . 2]" 1
441 1 50 ALA MB 1 70 THR MG . . 3.650 3.160 2.905 3.437 . 0 0 "[ . 1 . 2]" 1
442 1 50 ALA MB 1 90 ILE MD . . 3.260 2.423 2.172 2.612 . 0 0 "[ . 1 . 2]" 1
443 1 51 THR H 1 51 THR HB . . 3.680 3.432 2.935 3.694 0.014 12 0 "[ . 1 . 2]" 1
444 1 51 THR H 1 51 THR MG . . 4.190 3.372 2.960 3.943 . 0 0 "[ . 1 . 2]" 1
445 1 51 THR H 1 52 LEU QD . . 4.110 3.892 3.571 4.092 . 0 0 "[ . 1 . 2]" 1
446 1 51 THR H 1 61 ILE QG . . 5.340 3.719 3.268 4.619 . 0 0 "[ . 1 . 2]" 1
447 1 51 THR H 1 62 ARG H . . 3.430 2.824 2.722 2.982 . 0 0 "[ . 1 . 2]" 1
448 1 51 THR H 1 62 ARG HB2 . . 4.490 3.267 3.076 3.504 . 0 0 "[ . 1 . 2]" 1
449 1 51 THR H 1 62 ARG HB3 . . 4.490 4.481 4.414 4.493 0.003 20 0 "[ . 1 . 2]" 1
450 1 51 THR H 1 63 ASP HA . . 4.780 3.873 3.505 4.322 . 0 0 "[ . 1 . 2]" 1
451 1 51 THR HA 1 51 THR MG . . 3.400 2.209 2.059 2.304 . 0 0 "[ . 1 . 2]" 1
452 1 51 THR HA 1 52 LEU H . . 3.070 2.133 2.079 2.238 . 0 0 "[ . 1 . 2]" 1
453 1 51 THR HA 1 52 LEU QD . . 4.520 3.594 3.425 3.944 . 0 0 "[ . 1 . 2]" 1
454 1 51 THR HB 1 52 LEU H . . 4.180 3.434 2.929 4.182 0.002 13 0 "[ . 1 . 2]" 1
455 1 51 THR HB 1 53 VAL QG . . 3.850 2.893 2.534 3.850 0.000 7 0 "[ . 1 . 2]" 1
456 1 51 THR HB 1 62 ARG QB . . 4.210 3.480 2.082 4.211 0.001 10 0 "[ . 1 . 2]" 1
457 1 51 THR MG 1 52 LEU H . . 3.750 3.330 2.515 3.753 0.003 1 0 "[ . 1 . 2]" 1
458 1 51 THR MG 1 53 VAL QG . . 3.680 3.148 1.926 3.683 0.003 4 0 "[ . 1 . 2]" 1
459 1 51 THR MG 1 62 ARG QB . . 4.360 3.985 3.742 4.154 . 0 0 "[ . 1 . 2]" 1
460 1 52 LEU H 1 52 LEU HB2 . . 3.860 2.396 2.372 2.448 . 0 0 "[ . 1 . 2]" 1
461 1 52 LEU H 1 52 LEU HB3 . . 3.640 3.642 3.616 3.650 0.010 19 0 "[ . 1 . 2]" 1
462 1 52 LEU H 1 52 LEU MD1 . . 4.340 4.194 3.863 4.342 0.002 20 0 "[ . 1 . 2]" 1
463 1 52 LEU H 1 52 LEU QD . . 3.780 2.688 2.479 3.090 . 0 0 "[ . 1 . 2]" 1
464 1 52 LEU H 1 52 LEU MD2 . . 4.340 2.723 2.509 3.163 . 0 0 "[ . 1 . 2]" 1
465 1 52 LEU H 1 52 LEU HG . . 4.520 4.285 4.132 4.521 0.001 8 0 "[ . 1 . 2]" 1
466 1 52 LEU H 1 53 VAL H . . 4.600 4.493 4.421 4.555 . 0 0 "[ . 1 . 2]" 1
467 1 52 LEU H 1 53 VAL QG . . 4.940 4.002 3.725 4.851 . 0 0 "[ . 1 . 2]" 1
468 1 52 LEU HA 1 52 LEU QD . . 3.620 2.089 2.016 2.127 . 0 0 "[ . 1 . 2]" 1
469 1 52 LEU HA 1 53 VAL H . . 2.940 2.225 2.193 2.266 . 0 0 "[ . 1 . 2]" 1
470 1 52 LEU HA 1 53 VAL QG . . 4.230 3.456 3.354 3.668 . 0 0 "[ . 1 . 2]" 1
471 1 52 LEU HA 1 59 THR MG . . 4.510 3.552 3.145 3.944 . 0 0 "[ . 1 . 2]" 1
472 1 52 LEU HA 1 61 ILE HA . . 3.780 2.559 2.346 2.819 . 0 0 "[ . 1 . 2]" 1
473 1 52 LEU HB2 1 53 VAL H . . 4.740 4.434 4.317 4.571 . 0 0 "[ . 1 . 2]" 1
474 1 52 LEU HB2 1 59 THR MG . . 5.190 4.295 3.741 4.922 . 0 0 "[ . 1 . 2]" 1
475 1 52 LEU HB3 1 53 VAL H . . 3.870 3.434 3.264 3.631 . 0 0 "[ . 1 . 2]" 1
476 1 52 LEU HB3 1 53 VAL QG . . 5.310 4.504 4.437 4.807 . 0 0 "[ . 1 . 2]" 1
477 1 52 LEU HB3 1 59 THR MG . . 3.670 2.859 2.295 3.523 . 0 0 "[ . 1 . 2]" 1
478 1 52 LEU QD 1 59 THR MG . . 3.420 2.101 1.964 2.317 . 0 0 "[ . 1 . 2]" 1
479 1 52 LEU QD 1 61 ILE HA . . 3.380 2.253 2.065 2.386 . 0 0 "[ . 1 . 2]" 1
480 1 52 LEU QD 1 61 ILE QG . . 3.370 2.141 1.967 3.255 . 0 0 "[ . 1 . 2]" 1
481 1 52 LEU QD 1 62 ARG H . . 3.520 3.488 3.281 3.524 0.004 10 0 "[ . 1 . 2]" 1
482 1 52 LEU QD 1 82 LEU HB2 . . 4.430 3.528 3.257 3.848 . 0 0 "[ . 1 . 2]" 1
483 1 52 LEU QD 1 82 LEU QD . . 3.820 1.912 1.865 2.004 . 0 0 "[ . 1 . 2]" 1
484 1 52 LEU MD1 1 61 ILE HA . . 3.870 2.346 2.078 2.490 . 0 0 "[ . 1 . 2]" 1
485 1 52 LEU MD1 1 62 ARG H . . 4.250 4.162 3.763 4.252 0.002 14 0 "[ . 1 . 2]" 1
486 1 52 LEU MD2 1 61 ILE HA . . 3.870 3.010 2.535 3.610 . 0 0 "[ . 1 . 2]" 1
487 1 52 LEU MD2 1 62 ARG H . . 4.250 3.777 3.413 4.250 . 0 0 "[ . 1 . 2]" 1
488 1 52 LEU HG 1 59 THR MG . . 4.440 3.893 3.422 4.318 . 0 0 "[ . 1 . 2]" 1
489 1 53 VAL H 1 53 VAL HB . . 3.860 3.835 3.333 3.864 0.004 13 0 "[ . 1 . 2]" 1
490 1 53 VAL H 1 53 VAL MG1 . . 4.460 3.038 2.365 3.160 . 0 0 "[ . 1 . 2]" 1
491 1 53 VAL H 1 53 VAL QG . . 3.320 2.229 2.192 2.349 . 0 0 "[ . 1 . 2]" 1
492 1 53 VAL H 1 53 VAL MG2 . . 4.460 2.368 2.250 4.028 . 0 0 "[ . 1 . 2]" 1
493 1 53 VAL H 1 59 THR MG . . 3.970 3.006 2.654 3.303 . 0 0 "[ . 1 . 2]" 1
494 1 53 VAL H 1 60 GLU H . . 4.280 3.399 3.117 3.533 . 0 0 "[ . 1 . 2]" 1
495 1 53 VAL H 1 61 ILE HA . . 4.500 3.754 3.581 4.135 . 0 0 "[ . 1 . 2]" 1
496 1 53 VAL HA 1 53 VAL MG1 . . 3.540 2.336 2.274 3.248 . 0 0 "[ . 1 . 2]" 1
497 1 53 VAL HA 1 53 VAL MG2 . . 3.540 3.220 2.405 3.267 . 0 0 "[ . 1 . 2]" 1
498 1 53 VAL HA 1 54 PRO HD2 . . 3.430 2.257 2.092 2.572 . 0 0 "[ . 1 . 2]" 1
499 1 53 VAL HA 1 54 PRO HD3 . . 3.250 2.464 2.190 2.521 . 0 0 "[ . 1 . 2]" 1
500 1 53 VAL HA 1 54 PRO QG . . 4.560 4.034 3.971 4.065 . 0 0 "[ . 1 . 2]" 1
501 1 53 VAL HB 1 54 PRO HD2 . . 3.660 2.657 2.498 3.666 0.006 7 0 "[ . 1 . 2]" 1
502 1 53 VAL QG 1 54 PRO HD2 . . 3.620 3.133 1.990 3.449 . 0 0 "[ . 1 . 2]" 1
503 1 53 VAL QG 1 54 PRO HD3 . . 3.960 3.909 3.402 3.961 0.001 19 0 "[ . 1 . 2]" 1
504 1 53 VAL QG 1 60 GLU H . . 4.180 3.103 2.976 3.298 . 0 0 "[ . 1 . 2]" 1
505 1 53 VAL QG 1 62 ARG QD . . 3.750 2.711 2.406 2.966 . 0 0 "[ . 1 . 2]" 1
506 1 53 VAL QG 1 62 ARG QG . . 3.950 2.916 2.644 3.141 . 0 0 "[ . 1 . 2]" 1
507 1 53 VAL MG1 1 54 PRO HD2 . . 4.520 3.376 3.209 4.114 . 0 0 "[ . 1 . 2]" 1
508 1 53 VAL MG2 1 54 PRO HD2 . . 4.520 3.972 1.994 4.351 . 0 0 "[ . 1 . 2]" 1
509 1 54 PRO HA 1 55 THR H . . 2.840 2.370 2.312 2.406 . 0 0 "[ . 1 . 2]" 1
510 1 54 PRO HA 1 55 THR MG . . 4.120 3.311 3.162 3.408 . 0 0 "[ . 1 . 2]" 1
511 1 54 PRO HA 1 59 THR H . . 5.080 5.046 4.798 5.083 0.003 15 0 "[ . 1 . 2]" 1
512 1 54 PRO HA 1 59 THR HA . . 3.460 2.380 2.178 2.493 . 0 0 "[ . 1 . 2]" 1
513 1 54 PRO HA 1 59 THR MG . . 4.040 2.676 2.420 2.885 . 0 0 "[ . 1 . 2]" 1
514 1 54 PRO HA 1 60 GLU H . . 4.330 3.555 3.456 3.762 . 0 0 "[ . 1 . 2]" 1
515 1 54 PRO HB2 1 55 THR H . . 3.980 3.147 3.072 3.824 . 0 0 "[ . 1 . 2]" 1
516 1 54 PRO HB2 1 55 THR HA . . 4.380 4.374 4.320 4.384 0.004 3 0 "[ . 1 . 2]" 1
517 1 54 PRO HB3 1 55 THR H . . 4.060 3.858 3.372 3.954 . 0 0 "[ . 1 . 2]" 1
518 1 54 PRO HB3 1 59 THR HA . . 5.190 4.588 4.343 4.755 . 0 0 "[ . 1 . 2]" 1
519 1 55 THR H 1 55 THR MG . . 3.660 2.755 2.663 2.828 . 0 0 "[ . 1 . 2]" 1
520 1 55 THR H 1 58 GLY H . . 4.310 3.281 3.101 3.442 . 0 0 "[ . 1 . 2]" 1
521 1 55 THR H 1 59 THR HA . . 3.490 2.933 2.802 3.059 . 0 0 "[ . 1 . 2]" 1
522 1 55 THR H 1 60 GLU H . . 4.590 4.262 4.137 4.357 . 0 0 "[ . 1 . 2]" 1
523 1 55 THR HA 1 55 THR MG . . 3.510 2.530 2.490 2.554 . 0 0 "[ . 1 . 2]" 1
524 1 55 THR HA 1 56 PRO HD2 . . 3.610 2.753 2.698 3.072 . 0 0 "[ . 1 . 2]" 1
525 1 55 THR HA 1 56 PRO QD . . 3.030 2.409 2.148 2.477 . 0 0 "[ . 1 . 2]" 1
526 1 55 THR HA 1 56 PRO HD3 . . 3.610 2.699 2.193 2.815 . 0 0 "[ . 1 . 2]" 1
527 1 55 THR HB 1 56 PRO HD2 . . 3.470 2.033 1.985 2.321 . 0 0 "[ . 1 . 2]" 1
528 1 55 THR HB 1 56 PRO QD . . 2.990 2.016 1.973 2.254 . 0 0 "[ . 1 . 2]" 1
529 1 55 THR HB 1 56 PRO HD3 . . 3.470 3.430 3.049 3.472 0.002 9 0 "[ . 1 . 2]" 1
530 1 55 THR HB 1 57 GLY H . . 4.550 3.115 3.035 3.223 . 0 0 "[ . 1 . 2]" 1
531 1 55 THR HB 1 57 GLY HA3 . . 5.470 5.000 4.849 5.126 . 0 0 "[ . 1 . 2]" 1
532 1 55 THR MG 1 56 PRO HD2 . . 4.680 3.729 3.675 3.992 . 0 0 "[ . 1 . 2]" 1
533 1 55 THR MG 1 56 PRO QD . . 3.900 3.549 3.526 3.577 . 0 0 "[ . 1 . 2]" 1
534 1 55 THR MG 1 56 PRO HD3 . . 4.680 4.492 4.035 4.567 . 0 0 "[ . 1 . 2]" 1
535 1 55 THR MG 1 58 GLY H . . 4.470 4.267 4.053 4.390 . 0 0 "[ . 1 . 2]" 1
536 1 55 THR MG 1 59 THR HA . . 3.710 2.604 2.559 2.686 . 0 0 "[ . 1 . 2]" 1
537 1 55 THR MG 1 59 THR HB . . 5.200 5.206 5.204 5.208 0.008 14 0 "[ . 1 . 2]" 1
538 1 55 THR MG 1 60 GLU H . . 4.030 2.225 2.102 2.401 . 0 0 "[ . 1 . 2]" 1
539 1 55 THR MG 1 60 GLU HB2 . . 3.610 2.558 1.984 2.695 . 0 0 "[ . 1 . 2]" 1
540 1 55 THR MG 1 60 GLU HB3 . . 3.930 3.824 2.927 3.935 0.005 4 0 "[ . 1 . 2]" 1
541 1 55 THR MG 1 60 GLU QG . . 4.430 2.179 1.926 3.775 . 0 0 "[ . 1 . 2]" 1
542 1 56 PRO HB2 1 57 GLY H . . 4.000 3.861 3.201 3.978 . 0 0 "[ . 1 . 2]" 1
543 1 56 PRO HB2 1 57 GLY HA2 . . 4.490 4.485 4.413 4.492 0.002 1 0 "[ . 1 . 2]" 1
544 1 56 PRO QD 1 57 GLY H . . 3.880 3.028 2.988 3.074 . 0 0 "[ . 1 . 2]" 1
545 1 57 GLY H 1 58 GLY H . . 3.120 2.429 2.372 2.478 . 0 0 "[ . 1 . 2]" 1
546 1 57 GLY HA2 1 58 GLY QA . . 4.740 4.167 4.130 4.213 . 0 0 "[ . 1 . 2]" 1
547 1 57 GLY HA2 1 81 LEU MD1 . . 5.500 5.329 4.946 5.502 0.002 3 0 "[ . 1 . 2]" 1
548 1 57 GLY HA2 1 81 LEU MD2 . . 5.500 5.118 4.342 5.500 0.000 8 0 "[ . 1 . 2]" 1
549 1 57 GLY HA3 1 81 LEU QD . . 4.470 3.643 3.210 3.964 . 0 0 "[ . 1 . 2]" 1
550 1 58 GLY H 1 59 THR H . . 4.390 4.375 4.332 4.391 0.001 12 0 "[ . 1 . 2]" 1
551 1 58 GLY H 1 81 LEU MD1 . . 5.500 4.778 3.653 5.422 . 0 0 "[ . 1 . 2]" 1
552 1 58 GLY H 1 81 LEU QD . . 4.800 3.904 3.498 4.147 . 0 0 "[ . 1 . 2]" 1
553 1 58 GLY H 1 81 LEU MD2 . . 5.500 4.326 3.872 5.164 . 0 0 "[ . 1 . 2]" 1
554 1 58 GLY QA 1 59 THR H . . 2.970 2.282 2.225 2.326 . 0 0 "[ . 1 . 2]" 1
555 1 58 GLY QA 1 81 LEU QD . . 3.800 2.560 2.081 3.023 . 0 0 "[ . 1 . 2]" 1
556 1 58 GLY HA2 1 81 LEU MD1 . . 5.500 4.834 3.647 5.503 0.003 3 0 "[ . 1 . 2]" 1
557 1 58 GLY HA2 1 81 LEU MD2 . . 5.500 4.379 3.667 4.936 . 0 0 "[ . 1 . 2]" 1
558 1 58 GLY HA3 1 81 LEU MD1 . . 5.500 3.341 2.186 4.013 . 0 0 "[ . 1 . 2]" 1
559 1 58 GLY HA3 1 81 LEU MD2 . . 5.500 2.880 2.364 3.436 . 0 0 "[ . 1 . 2]" 1
560 1 59 THR H 1 59 THR HB . . 3.190 2.616 2.549 2.686 . 0 0 "[ . 1 . 2]" 1
561 1 59 THR H 1 59 THR MG . . 4.220 3.909 3.878 3.937 . 0 0 "[ . 1 . 2]" 1
562 1 59 THR H 1 60 GLU H . . 4.750 4.332 4.262 4.428 . 0 0 "[ . 1 . 2]" 1
563 1 59 THR HA 1 59 THR MG . . 3.420 2.471 2.448 2.489 . 0 0 "[ . 1 . 2]" 1
564 1 59 THR HA 1 60 GLU H . . 2.980 2.141 2.115 2.264 . 0 0 "[ . 1 . 2]" 1
565 1 59 THR HA 1 60 GLU HB2 . . 4.350 4.354 4.351 4.356 0.006 18 0 "[ . 1 . 2]" 1
566 1 59 THR HB 1 82 LEU HB2 . . 4.250 3.222 2.799 3.791 . 0 0 "[ . 1 . 2]" 1
567 1 59 THR HB 1 82 LEU HB3 . . 5.340 4.761 4.269 5.340 0.000 3 0 "[ . 1 . 2]" 1
568 1 59 THR HB 1 82 LEU QD . . 5.440 4.213 3.744 4.788 . 0 0 "[ . 1 . 2]" 1
569 1 59 THR HB 1 97 PHE HZ . . 3.940 2.571 2.349 3.047 . 0 0 "[ . 1 . 2]" 1
570 1 59 THR MG 1 60 GLU H . . 3.530 2.687 2.533 2.744 . 0 0 "[ . 1 . 2]" 1
571 1 59 THR MG 1 81 LEU HA . . 5.130 5.087 4.903 5.134 0.004 2 0 "[ . 1 . 2]" 1
572 1 59 THR MG 1 82 LEU HB2 . . 4.110 3.688 3.280 3.900 . 0 0 "[ . 1 . 2]" 1
573 1 59 THR MG 1 82 LEU QD . . 3.710 3.540 3.038 3.713 0.003 14 0 "[ . 1 . 2]" 1
574 1 59 THR MG 1 82 LEU HG . . 4.720 4.535 4.266 4.715 . 0 0 "[ . 1 . 2]" 1
575 1 59 THR MG 1 97 PHE HE1 . . 3.670 2.719 2.350 3.223 . 0 0 "[ . 1 . 2]" 1
576 1 59 THR MG 1 97 PHE HZ . . 4.230 3.061 2.265 3.657 . 0 0 "[ . 1 . 2]" 1
577 1 60 GLU H 1 60 GLU HB2 . . 3.540 2.340 2.227 2.798 . 0 0 "[ . 1 . 2]" 1
578 1 60 GLU H 1 60 GLU HB3 . . 3.680 3.576 2.673 3.680 0.000 14 0 "[ . 1 . 2]" 1
579 1 60 GLU H 1 81 LEU HA . . 5.010 4.703 4.494 4.880 . 0 0 "[ . 1 . 2]" 1
580 1 60 GLU HA 1 60 GLU HG2 . . 4.140 2.540 2.472 3.194 . 0 0 "[ . 1 . 2]" 1
581 1 60 GLU HA 1 60 GLU QG . . 3.550 2.361 2.313 2.527 . 0 0 "[ . 1 . 2]" 1
582 1 60 GLU HA 1 60 GLU HG3 . . 4.140 2.842 2.648 2.936 . 0 0 "[ . 1 . 2]" 1
583 1 60 GLU HA 1 61 ILE H . . 3.050 2.125 2.095 2.221 . 0 0 "[ . 1 . 2]" 1
584 1 60 GLU HA 1 61 ILE HA . . 4.520 4.375 4.353 4.418 . 0 0 "[ . 1 . 2]" 1
585 1 60 GLU HA 1 61 ILE MG . . 4.400 3.723 3.598 3.841 . 0 0 "[ . 1 . 2]" 1
586 1 60 GLU HA 1 80 ALA H . . 4.310 4.015 3.920 4.103 . 0 0 "[ . 1 . 2]" 1
587 1 60 GLU HA 1 81 LEU HA . . 3.360 2.387 2.103 2.540 . 0 0 "[ . 1 . 2]" 1
588 1 60 GLU HA 1 81 LEU QD . . 4.080 2.816 2.556 3.683 . 0 0 "[ . 1 . 2]" 1
589 1 60 GLU HA 1 82 LEU H . . 3.640 3.252 2.977 3.463 . 0 0 "[ . 1 . 2]" 1
590 1 60 GLU HB2 1 61 ILE H . . 4.330 4.155 4.089 4.290 . 0 0 "[ . 1 . 2]" 1
591 1 60 GLU HB2 1 81 LEU QD . . 4.690 3.948 2.179 4.678 . 0 0 "[ . 1 . 2]" 1
592 1 60 GLU HB3 1 61 ILE H . . 4.420 3.038 2.915 3.907 . 0 0 "[ . 1 . 2]" 1
593 1 60 GLU HB3 1 61 ILE HA . . 4.520 4.151 4.023 4.523 0.003 5 0 "[ . 1 . 2]" 1
594 1 60 GLU HB3 1 62 ARG QG . . 4.200 2.632 2.293 3.424 . 0 0 "[ . 1 . 2]" 1
595 1 60 GLU HB3 1 80 ALA H . . 4.760 3.914 3.572 4.770 0.010 5 0 "[ . 1 . 2]" 1
596 1 60 GLU HB3 1 81 LEU HA . . 4.840 4.719 4.449 4.842 0.002 5 0 "[ . 1 . 2]" 1
597 1 60 GLU HB3 1 81 LEU QD . . 4.400 4.214 3.678 4.401 0.001 14 0 "[ . 1 . 2]" 1
598 1 60 GLU QG 1 61 ILE H . . 4.000 3.523 2.701 3.666 . 0 0 "[ . 1 . 2]" 1
599 1 60 GLU QG 1 79 ALA HA . . 5.250 5.171 3.607 5.256 0.006 20 0 "[ . 1 . 2]" 1
600 1 60 GLU QG 1 80 ALA H . . 3.760 3.666 2.283 3.761 0.001 8 0 "[ . 1 . 2]" 1
601 1 60 GLU QG 1 81 LEU HA . . 3.700 3.096 2.789 3.313 . 0 0 "[ . 1 . 2]" 1
602 1 60 GLU QG 1 81 LEU QB . . 5.110 3.935 3.064 4.681 . 0 0 "[ . 1 . 2]" 1
603 1 60 GLU QG 1 81 LEU QD . . 3.990 2.076 1.961 2.784 . 0 0 "[ . 1 . 2]" 1
604 1 60 GLU QG 1 81 LEU HG . . 4.440 3.724 2.883 4.443 0.003 7 0 "[ . 1 . 2]" 1
605 1 61 ILE H 1 61 ILE HB . . 3.810 3.024 2.924 3.062 . 0 0 "[ . 1 . 2]" 1
606 1 61 ILE H 1 61 ILE MD . . 5.060 4.650 4.426 4.705 . 0 0 "[ . 1 . 2]" 1
607 1 61 ILE H 1 61 ILE MG . . 3.190 2.061 2.029 2.089 . 0 0 "[ . 1 . 2]" 1
608 1 61 ILE H 1 79 ALA MB . . 5.150 4.559 4.446 4.642 . 0 0 "[ . 1 . 2]" 1
609 1 61 ILE H 1 80 ALA H . . 3.400 2.814 2.742 2.872 . 0 0 "[ . 1 . 2]" 1
610 1 61 ILE H 1 81 LEU HA . . 4.070 3.555 3.361 3.702 . 0 0 "[ . 1 . 2]" 1
611 1 61 ILE H 1 81 LEU QD . . 4.850 4.453 4.297 4.850 0.000 3 0 "[ . 1 . 2]" 1
612 1 61 ILE H 1 82 LEU H . . 4.570 3.978 3.835 4.064 . 0 0 "[ . 1 . 2]" 1
613 1 61 ILE H 1 82 LEU HB2 . . 5.070 5.037 4.917 5.071 0.001 12 0 "[ . 1 . 2]" 1
614 1 61 ILE H 1 82 LEU QD . . 4.940 3.912 3.818 4.004 . 0 0 "[ . 1 . 2]" 1
615 1 61 ILE H 1 82 LEU HG . . 4.540 3.409 3.257 3.532 . 0 0 "[ . 1 . 2]" 1
616 1 61 ILE HA 1 61 ILE MD . . 3.780 3.570 2.192 3.754 . 0 0 "[ . 1 . 2]" 1
617 1 61 ILE HA 1 61 ILE QG . . 3.500 2.353 2.244 3.011 . 0 0 "[ . 1 . 2]" 1
618 1 61 ILE HA 1 62 ARG H . . 2.980 2.194 2.156 2.216 . 0 0 "[ . 1 . 2]" 1
619 1 61 ILE HA 1 62 ARG HA . . 5.200 4.441 4.423 4.456 . 0 0 "[ . 1 . 2]" 1
620 1 61 ILE HA 1 79 ALA HA . . 5.500 5.488 5.419 5.503 0.003 15 0 "[ . 1 . 2]" 1
621 1 61 ILE HA 1 82 LEU QD . . 4.600 4.075 3.881 4.171 . 0 0 "[ . 1 . 2]" 1
622 1 61 ILE HB 1 61 ILE MD . . 3.290 2.393 2.368 2.457 . 0 0 "[ . 1 . 2]" 1
623 1 61 ILE HB 1 82 LEU H . . 4.980 4.945 4.812 4.983 0.003 14 0 "[ . 1 . 2]" 1
624 1 61 ILE HB 1 82 LEU HB2 . . 4.430 4.422 4.359 4.434 0.004 16 0 "[ . 1 . 2]" 1
625 1 61 ILE HB 1 82 LEU MD1 . . 3.890 2.225 2.138 2.337 . 0 0 "[ . 1 . 2]" 1
626 1 61 ILE HB 1 82 LEU QD . . 3.220 2.205 2.110 2.311 . 0 0 "[ . 1 . 2]" 1
627 1 61 ILE HB 1 82 LEU MD2 . . 3.890 3.602 3.233 3.868 . 0 0 "[ . 1 . 2]" 1
628 1 61 ILE HB 1 82 LEU HG . . 3.900 2.759 2.521 3.012 . 0 0 "[ . 1 . 2]" 1
629 1 61 ILE HB 1 88 VAL MG2 . . 4.800 4.100 3.659 4.377 . 0 0 "[ . 1 . 2]" 1
630 1 61 ILE MD 1 62 ARG H . . 4.740 4.202 2.497 4.452 . 0 0 "[ . 1 . 2]" 1
631 1 61 ILE MD 1 88 VAL MG1 . . 3.090 2.133 1.933 3.063 . 0 0 "[ . 1 . 2]" 1
632 1 61 ILE QG 1 62 ARG H . . 3.250 2.698 2.586 3.145 . 0 0 "[ . 1 . 2]" 1
633 1 61 ILE QG 1 63 ASP H . . 4.840 4.563 4.407 4.836 . 0 0 "[ . 1 . 2]" 1
634 1 61 ILE QG 1 63 ASP HA . . 4.760 4.173 3.775 4.547 . 0 0 "[ . 1 . 2]" 1
635 1 61 ILE MG 1 62 ARG HA . . 4.920 4.069 3.990 4.177 . 0 0 "[ . 1 . 2]" 1
636 1 61 ILE MG 1 79 ALA HA . . 4.420 3.500 3.451 3.546 . 0 0 "[ . 1 . 2]" 1
637 1 61 ILE MG 1 79 ALA MB . . 4.450 4.449 4.428 4.453 0.003 16 0 "[ . 1 . 2]" 1
638 1 61 ILE MG 1 80 ALA H . . 3.270 2.688 2.590 2.843 . 0 0 "[ . 1 . 2]" 1
639 1 61 ILE MG 1 80 ALA MB . . 3.030 2.310 2.158 2.666 . 0 0 "[ . 1 . 2]" 1
640 1 61 ILE MG 1 81 LEU HA . . 5.030 4.104 3.868 4.342 . 0 0 "[ . 1 . 2]" 1
641 1 61 ILE MG 1 82 LEU HA . . 5.290 4.533 4.237 4.760 . 0 0 "[ . 1 . 2]" 1
642 1 61 ILE MG 1 82 LEU HB2 . . 4.520 4.399 4.345 4.508 . 0 0 "[ . 1 . 2]" 1
643 1 61 ILE MG 1 82 LEU MD1 . . 3.800 2.679 2.470 2.961 . 0 0 "[ . 1 . 2]" 1
644 1 61 ILE MG 1 82 LEU QD . . 3.240 2.206 2.083 2.322 . 0 0 "[ . 1 . 2]" 1
645 1 61 ILE MG 1 82 LEU MD2 . . 3.800 2.358 2.199 2.550 . 0 0 "[ . 1 . 2]" 1
646 1 61 ILE MG 1 82 LEU HG . . 3.830 2.330 2.274 2.428 . 0 0 "[ . 1 . 2]" 1
647 1 62 ARG H 1 62 ARG HB2 . . 4.090 2.594 2.501 2.685 . 0 0 "[ . 1 . 2]" 1
648 1 62 ARG H 1 62 ARG QB . . 3.460 2.550 2.464 2.635 . 0 0 "[ . 1 . 2]" 1
649 1 62 ARG H 1 62 ARG HB3 . . 4.090 3.764 3.703 3.827 . 0 0 "[ . 1 . 2]" 1
650 1 62 ARG H 1 62 ARG HG2 . . 4.230 4.056 3.947 4.229 . 0 0 "[ . 1 . 2]" 1
651 1 62 ARG H 1 62 ARG QG . . 3.570 2.946 2.785 3.124 . 0 0 "[ . 1 . 2]" 1
652 1 62 ARG H 1 62 ARG HG3 . . 4.230 3.026 2.845 3.217 . 0 0 "[ . 1 . 2]" 1
653 1 62 ARG HA 1 62 ARG QD . . 5.030 4.188 4.012 4.334 . 0 0 "[ . 1 . 2]" 1
654 1 62 ARG HA 1 62 ARG QG . . 3.520 2.458 2.366 2.506 . 0 0 "[ . 1 . 2]" 1
655 1 62 ARG HA 1 63 ASP H . . 2.890 2.219 2.189 2.259 . 0 0 "[ . 1 . 2]" 1
656 1 62 ARG HA 1 63 ASP QB . . 5.340 4.105 3.813 4.304 . 0 0 "[ . 1 . 2]" 1
657 1 62 ARG HA 1 79 ALA HA . . 3.490 2.470 2.354 2.758 . 0 0 "[ . 1 . 2]" 1
658 1 62 ARG HA 1 79 ALA MB . . 3.850 3.049 2.833 3.384 . 0 0 "[ . 1 . 2]" 1
659 1 62 ARG HA 1 80 ALA H . . 4.950 4.057 3.869 4.382 . 0 0 "[ . 1 . 2]" 1
660 1 62 ARG QB 1 62 ARG QD . . 3.180 2.320 2.187 2.442 . 0 0 "[ . 1 . 2]" 1
661 1 62 ARG QB 1 63 ASP H . . 3.630 3.132 2.882 3.309 . 0 0 "[ . 1 . 2]" 1
662 1 62 ARG HB2 1 63 ASP H . . 4.480 4.223 4.068 4.330 . 0 0 "[ . 1 . 2]" 1
663 1 62 ARG HB3 1 63 ASP H . . 4.480 3.230 2.947 3.434 . 0 0 "[ . 1 . 2]" 1
664 1 62 ARG QG 1 63 ASP H . . 4.520 4.163 3.945 4.287 . 0 0 "[ . 1 . 2]" 1
665 1 62 ARG QG 1 79 ALA HA . . 4.710 3.511 3.262 4.079 . 0 0 "[ . 1 . 2]" 1
666 1 62 ARG QG 1 80 ALA H . . 5.340 4.214 3.917 4.917 . 0 0 "[ . 1 . 2]" 1
667 1 63 ASP H 1 63 ASP HB2 . . 3.890 2.570 2.332 3.666 . 0 0 "[ . 1 . 2]" 1
668 1 63 ASP H 1 63 ASP QB . . 3.080 2.388 2.264 2.622 . 0 0 "[ . 1 . 2]" 1
669 1 63 ASP H 1 63 ASP HB3 . . 3.890 3.377 2.472 3.702 . 0 0 "[ . 1 . 2]" 1
670 1 63 ASP H 1 70 THR HB . . 5.500 5.416 4.969 5.503 0.003 5 0 "[ . 1 . 2]" 1
671 1 63 ASP H 1 78 ASP HA . . 3.860 3.613 3.375 3.861 0.001 13 0 "[ . 1 . 2]" 1
672 1 63 ASP H 1 79 ALA HA . . 4.370 3.494 3.266 3.920 . 0 0 "[ . 1 . 2]" 1
673 1 63 ASP H 1 79 ALA MB . . 4.410 3.953 3.730 4.326 . 0 0 "[ . 1 . 2]" 1
674 1 63 ASP HA 1 64 ASN H . . 3.070 2.299 2.220 2.571 . 0 0 "[ . 1 . 2]" 1
675 1 63 ASP HA 1 70 THR MG . . 5.190 4.436 4.055 4.807 . 0 0 "[ . 1 . 2]" 1
676 1 63 ASP QB 1 70 THR HB . . 3.570 2.469 2.123 3.403 . 0 0 "[ . 1 . 2]" 1
677 1 63 ASP QB 1 78 ASP HA . . 3.430 2.635 2.257 3.144 . 0 0 "[ . 1 . 2]" 1
678 1 63 ASP HB2 1 65 ARG H . . 5.080 4.077 3.559 5.087 0.007 16 0 "[ . 1 . 2]" 1
679 1 63 ASP HB2 1 70 THR HB . . 4.280 3.461 2.675 4.281 0.001 20 0 "[ . 1 . 2]" 1
680 1 63 ASP HB2 1 78 ASP HA . . 4.220 2.922 2.550 4.225 0.005 18 0 "[ . 1 . 2]" 1
681 1 63 ASP HB3 1 65 ARG H . . 5.080 3.894 3.418 5.086 0.006 20 0 "[ . 1 . 2]" 1
682 1 63 ASP HB3 1 70 THR HB . . 4.280 2.752 2.143 4.283 0.003 16 0 "[ . 1 . 2]" 1
683 1 63 ASP HB3 1 78 ASP HA . . 4.220 3.821 2.312 4.222 0.002 10 0 "[ . 1 . 2]" 1
684 1 64 ASN H 1 64 ASN HB2 . . 4.050 2.687 2.398 3.908 . 0 0 "[ . 1 . 2]" 1
685 1 64 ASN H 1 64 ASN QB . . 3.340 2.421 2.273 3.249 . 0 0 "[ . 1 . 2]" 1
686 1 64 ASN H 1 64 ASN HB3 . . 4.050 3.087 2.466 3.685 . 0 0 "[ . 1 . 2]" 1
687 1 64 ASN H 1 65 ARG H . . 3.760 3.757 3.703 3.769 0.009 20 0 "[ . 1 . 2]" 1
688 1 64 ASN H 1 66 SER H . . 5.250 5.101 3.690 5.256 0.006 7 0 "[ . 1 . 2]" 1
689 1 64 ASN HA 1 65 ARG H . . 3.100 2.228 2.086 2.440 . 0 0 "[ . 1 . 2]" 1
690 1 64 ASN QB 1 64 ASN QD . . 3.080 2.245 2.159 2.497 . 0 0 "[ . 1 . 2]" 1
691 1 65 ARG H 1 65 ARG HA . . 2.840 2.761 2.724 2.842 0.002 20 0 "[ . 1 . 2]" 1
692 1 65 ARG H 1 65 ARG QB . . 3.250 2.378 2.126 2.522 . 0 0 "[ . 1 . 2]" 1
693 1 65 ARG H 1 65 ARG HD2 . . 5.500 4.431 2.250 5.065 . 0 0 "[ . 1 . 2]" 1
694 1 65 ARG H 1 65 ARG HD3 . . 5.500 4.201 1.964 5.066 . 0 0 "[ . 1 . 2]" 1
695 1 65 ARG H 1 65 ARG HG2 . . 4.710 2.941 2.052 4.534 . 0 0 "[ . 1 . 2]" 1
696 1 65 ARG H 1 65 ARG HG3 . . 4.710 3.545 2.293 4.438 . 0 0 "[ . 1 . 2]" 1
697 1 65 ARG H 1 66 SER H . . 3.220 2.870 2.505 3.237 0.017 20 0 "[ . 1 . 2]" 1
698 1 65 ARG HA 1 65 ARG HD2 . . 5.500 4.700 4.136 4.915 . 0 0 "[ . 1 . 2]" 1
699 1 65 ARG HA 1 65 ARG HD3 . . 5.500 4.959 4.136 5.509 0.009 17 0 "[ . 1 . 2]" 1
700 1 65 ARG HA 1 66 SER H . . 3.510 3.210 2.342 3.444 . 0 0 "[ . 1 . 2]" 1
701 1 65 ARG HA 1 69 GLY QA . . 3.780 2.308 2.026 3.734 . 0 0 "[ . 1 . 2]" 1
702 1 65 ARG QB 1 65 ARG QD . . 3.330 2.285 2.157 3.002 . 0 0 "[ . 1 . 2]" 1
703 1 65 ARG QB 1 66 SER H . . 3.980 3.610 2.780 3.859 . 0 0 "[ . 1 . 2]" 1
704 1 65 ARG HB2 1 66 SER H . . 4.710 4.126 3.179 4.423 . 0 0 "[ . 1 . 2]" 1
705 1 65 ARG HB3 1 66 SER H . . 4.710 4.080 2.841 4.389 . 0 0 "[ . 1 . 2]" 1
706 1 65 ARG QG 1 66 SER H . . 4.720 3.419 2.734 4.510 . 0 0 "[ . 1 . 2]" 1
707 1 65 ARG HG2 1 66 SER H . . 5.400 3.828 3.051 5.341 . 0 0 "[ . 1 . 2]" 1
708 1 65 ARG HG3 1 66 SER H . . 5.400 3.972 3.088 5.055 . 0 0 "[ . 1 . 2]" 1
709 1 66 SER H 1 66 SER HB2 . . 3.810 2.542 2.429 2.758 . 0 0 "[ . 1 . 2]" 1
710 1 66 SER H 1 66 SER QB . . 3.240 2.306 2.212 2.573 . 0 0 "[ . 1 . 2]" 1
711 1 66 SER H 1 66 SER HB3 . . 3.810 2.718 2.500 3.658 . 0 0 "[ . 1 . 2]" 1
712 1 66 SER H 1 68 ASN H . . 5.500 5.079 4.129 5.503 0.003 16 0 "[ . 1 . 2]" 1
713 1 66 SER H 1 69 GLY QA . . 4.450 4.445 4.309 4.456 0.006 2 0 "[ . 1 . 2]" 1
714 1 66 SER QB 1 67 ILE H . . 3.460 2.703 2.534 3.325 . 0 0 "[ . 1 . 2]" 1
715 1 66 SER QB 1 68 ASN H . . 4.990 4.799 3.710 4.992 0.002 9 0 "[ . 1 . 2]" 1
716 1 67 ILE H 1 67 ILE HB . . 3.210 2.456 2.346 2.549 . 0 0 "[ . 1 . 2]" 1
717 1 67 ILE H 1 67 ILE MD . . 3.600 3.553 3.303 3.603 0.003 12 0 "[ . 1 . 2]" 1
718 1 67 ILE H 1 67 ILE HG12 . . 4.030 3.021 2.121 3.923 . 0 0 "[ . 1 . 2]" 1
719 1 67 ILE H 1 67 ILE QG . . 3.320 2.469 2.069 2.639 . 0 0 "[ . 1 . 2]" 1
720 1 67 ILE H 1 67 ILE HG13 . . 4.030 3.324 2.086 4.031 0.001 18 0 "[ . 1 . 2]" 1
721 1 67 ILE H 1 67 ILE MG . . 4.400 3.823 3.738 3.872 . 0 0 "[ . 1 . 2]" 1
722 1 67 ILE H 1 68 ASN H . . 3.560 2.605 2.490 3.088 . 0 0 "[ . 1 . 2]" 1
723 1 67 ILE HA 1 67 ILE MD . . 3.790 2.814 2.110 3.796 0.006 1 0 "[ . 1 . 2]" 1
724 1 67 ILE HA 1 67 ILE QG . . 3.640 2.744 2.281 3.059 . 0 0 "[ . 1 . 2]" 1
725 1 67 ILE HA 1 67 ILE MG . . 3.420 2.437 2.399 2.571 . 0 0 "[ . 1 . 2]" 1
726 1 67 ILE HA 1 69 GLY H . . 5.480 5.264 4.554 5.480 0.000 14 0 "[ . 1 . 2]" 1
727 1 67 ILE HB 1 68 ASN H . . 3.470 2.410 2.245 2.763 . 0 0 "[ . 1 . 2]" 1
728 1 67 ILE QG 1 68 ASN H . . 4.390 4.059 3.911 4.297 . 0 0 "[ . 1 . 2]" 1
729 1 67 ILE MG 1 68 ASN H . . 3.710 3.141 3.025 3.380 . 0 0 "[ . 1 . 2]" 1
730 1 67 ILE MG 1 68 ASN HA . . 4.360 3.536 3.161 3.791 . 0 0 "[ . 1 . 2]" 1
731 1 67 ILE MG 1 68 ASN HD21 . . 4.480 4.201 3.631 4.482 0.002 16 0 "[ . 1 . 2]" 1
732 1 67 ILE MG 1 68 ASN QD . . 3.890 3.340 2.854 3.889 . 0 0 "[ . 1 . 2]" 1
733 1 67 ILE MG 1 68 ASN HD22 . . 4.480 3.514 2.985 4.266 . 0 0 "[ . 1 . 2]" 1
734 1 68 ASN H 1 68 ASN HB2 . . 3.750 2.489 2.418 2.551 . 0 0 "[ . 1 . 2]" 1
735 1 68 ASN H 1 68 ASN QB . . 3.180 2.453 2.384 2.511 . 0 0 "[ . 1 . 2]" 1
736 1 68 ASN H 1 68 ASN HB3 . . 3.750 3.704 3.615 3.751 0.001 10 0 "[ . 1 . 2]" 1
737 1 68 ASN H 1 68 ASN QD . . 5.340 3.814 2.592 4.357 . 0 0 "[ . 1 . 2]" 1
738 1 68 ASN H 1 69 GLY H . . 3.490 2.297 2.158 2.839 . 0 0 "[ . 1 . 2]" 1
739 1 68 ASN QB 1 69 GLY H . . 4.210 2.691 2.591 2.810 . 0 0 "[ . 1 . 2]" 1
740 1 69 GLY H 1 70 THR H . . 4.550 4.385 4.150 4.551 0.001 18 0 "[ . 1 . 2]" 1
741 1 69 GLY QA 1 70 THR H . . 3.010 2.282 2.192 2.328 . 0 0 "[ . 1 . 2]" 1
742 1 69 GLY QA 1 70 THR HA . . 4.960 3.965 3.931 4.014 . 0 0 "[ . 1 . 2]" 1
743 1 69 GLY HA2 1 70 THR H . . 3.460 2.475 2.269 2.739 . 0 0 "[ . 1 . 2]" 1
744 1 69 GLY HA3 1 70 THR H . . 3.460 2.726 2.520 2.957 . 0 0 "[ . 1 . 2]" 1
745 1 70 THR H 1 70 THR HB . . 3.480 2.768 2.681 2.816 . 0 0 "[ . 1 . 2]" 1
746 1 70 THR H 1 70 THR MG . . 3.970 3.934 3.900 3.956 . 0 0 "[ . 1 . 2]" 1
747 1 70 THR H 1 71 PHE H . . 4.700 4.293 4.241 4.401 . 0 0 "[ . 1 . 2]" 1
748 1 70 THR HA 1 70 THR MG . . 3.580 2.386 2.342 2.411 . 0 0 "[ . 1 . 2]" 1
749 1 70 THR HA 1 71 PHE H . . 3.030 2.255 2.215 2.289 . 0 0 "[ . 1 . 2]" 1
750 1 70 THR HA 1 90 ILE HA . . 4.320 3.513 3.245 3.762 . 0 0 "[ . 1 . 2]" 1
751 1 70 THR HB 1 77 VAL MG2 . . 4.570 3.933 3.480 4.469 . 0 0 "[ . 1 . 2]" 1
752 1 70 THR MG 1 71 PHE H . . 3.420 2.560 2.494 2.710 . 0 0 "[ . 1 . 2]" 1
753 1 70 THR MG 1 90 ILE H . . 4.840 4.653 4.428 4.843 0.003 19 0 "[ . 1 . 2]" 1
754 1 70 THR MG 1 90 ILE MD . . 3.550 2.689 2.305 2.978 . 0 0 "[ . 1 . 2]" 1
755 1 70 THR MG 1 90 ILE HG13 . . 4.150 2.441 2.236 2.663 . 0 0 "[ . 1 . 2]" 1
756 1 71 PHE H 1 71 PHE HB2 . . 3.610 2.631 2.545 2.690 . 0 0 "[ . 1 . 2]" 1
757 1 71 PHE H 1 71 PHE HB3 . . 3.950 3.777 3.726 3.810 . 0 0 "[ . 1 . 2]" 1
758 1 71 PHE H 1 71 PHE HD1 . . 3.450 2.612 2.490 2.702 . 0 0 "[ . 1 . 2]" 1
759 1 71 PHE H 1 88 VAL MG1 . . 4.540 3.643 3.548 3.738 . 0 0 "[ . 1 . 2]" 1
760 1 71 PHE H 1 89 THR H . . 3.780 3.009 2.894 3.164 . 0 0 "[ . 1 . 2]" 1
761 1 71 PHE H 1 89 THR HB . . 4.050 3.112 2.853 3.489 . 0 0 "[ . 1 . 2]" 1
762 1 71 PHE H 1 90 ILE HA . . 4.690 4.293 4.068 4.461 . 0 0 "[ . 1 . 2]" 1
763 1 71 PHE HA 1 71 PHE HD2 . . 4.360 3.301 3.231 3.420 . 0 0 "[ . 1 . 2]" 1
764 1 71 PHE HA 1 72 VAL H . . 3.010 2.254 2.197 2.312 . 0 0 "[ . 1 . 2]" 1
765 1 71 PHE HA 1 75 ALA H . . 4.710 4.280 4.195 4.575 . 0 0 "[ . 1 . 2]" 1
766 1 71 PHE HA 1 76 ARG HA . . 3.510 2.208 2.077 2.412 . 0 0 "[ . 1 . 2]" 1
767 1 71 PHE HA 1 77 VAL H . . 3.640 3.495 3.290 3.643 0.003 10 0 "[ . 1 . 2]" 1
768 1 71 PHE HA 1 77 VAL MG1 . . 5.230 4.491 4.196 4.848 . 0 0 "[ . 1 . 2]" 1
769 1 71 PHE HA 1 77 VAL MG2 . . 4.270 3.627 3.369 3.957 . 0 0 "[ . 1 . 2]" 1
770 1 71 PHE HA 1 88 VAL MG1 . . 4.870 4.872 4.870 4.874 0.004 17 0 "[ . 1 . 2]" 1
771 1 71 PHE HA 1 89 THR H . . 4.810 4.642 4.560 4.724 . 0 0 "[ . 1 . 2]" 1
772 1 71 PHE HB2 1 72 VAL H . . 4.370 4.139 4.009 4.200 . 0 0 "[ . 1 . 2]" 1
773 1 71 PHE HB2 1 75 ALA H . . 4.990 4.991 4.988 4.993 0.003 7 0 "[ . 1 . 2]" 1
774 1 71 PHE HB2 1 89 THR H . . 4.040 3.132 2.914 3.278 . 0 0 "[ . 1 . 2]" 1
775 1 71 PHE HB2 1 89 THR HB . . 3.480 2.120 2.005 2.178 . 0 0 "[ . 1 . 2]" 1
776 1 71 PHE HB2 1 89 THR MG . . 4.120 3.741 3.608 3.791 . 0 0 "[ . 1 . 2]" 1
777 1 71 PHE HB3 1 72 VAL H . . 3.850 3.110 2.940 3.203 . 0 0 "[ . 1 . 2]" 1
778 1 71 PHE HB3 1 74 GLY H . . 4.360 3.008 2.878 3.519 . 0 0 "[ . 1 . 2]" 1
779 1 71 PHE HB3 1 75 ALA H . . 4.380 3.334 3.304 3.393 . 0 0 "[ . 1 . 2]" 1
780 1 71 PHE HB3 1 89 THR H . . 4.970 4.315 4.155 4.439 . 0 0 "[ . 1 . 2]" 1
781 1 71 PHE HB3 1 89 THR HB . . 3.890 3.842 3.575 3.891 0.001 5 0 "[ . 1 . 2]" 1
782 1 71 PHE HD1 1 89 THR HB . . 4.750 2.974 2.628 3.464 . 0 0 "[ . 1 . 2]" 1
783 1 71 PHE HD2 1 75 ALA HA . . 4.220 3.263 3.069 3.477 . 0 0 "[ . 1 . 2]" 1
784 1 71 PHE HD2 1 76 ARG H . . 4.110 3.026 2.789 3.258 . 0 0 "[ . 1 . 2]" 1
785 1 71 PHE HD2 1 76 ARG HA . . 4.320 3.513 3.244 3.738 . 0 0 "[ . 1 . 2]" 1
786 1 71 PHE HD2 1 76 ARG QB . . 4.400 3.130 2.857 4.400 0.000 13 0 "[ . 1 . 2]" 1
787 1 71 PHE HE2 1 76 ARG H . . 4.480 3.765 3.469 4.020 . 0 0 "[ . 1 . 2]" 1
788 1 71 PHE HE2 1 76 ARG QB . . 4.390 2.892 2.520 4.391 0.001 13 0 "[ . 1 . 2]" 1
789 1 71 PHE HE2 1 76 ARG HD2 . . 5.500 4.057 2.317 5.433 . 0 0 "[ . 1 . 2]" 1
790 1 71 PHE HE2 1 76 ARG HD3 . . 5.500 4.512 3.452 5.284 . 0 0 "[ . 1 . 2]" 1
791 1 72 VAL H 1 72 VAL HB . . 3.450 2.696 2.648 2.762 . 0 0 "[ . 1 . 2]" 1
792 1 72 VAL H 1 72 VAL MG1 . . 4.560 3.910 3.889 3.956 . 0 0 "[ . 1 . 2]" 1
793 1 72 VAL H 1 72 VAL QG . . 3.380 2.790 2.741 2.836 . 0 0 "[ . 1 . 2]" 1
794 1 72 VAL H 1 72 VAL MG2 . . 4.560 2.856 2.801 2.910 . 0 0 "[ . 1 . 2]" 1
795 1 72 VAL H 1 73 ASN H . . 4.510 4.258 4.189 4.308 . 0 0 "[ . 1 . 2]" 1
796 1 72 VAL H 1 75 ALA H . . 3.520 2.964 2.921 3.057 . 0 0 "[ . 1 . 2]" 1
797 1 72 VAL H 1 75 ALA MB . . 4.200 3.565 3.406 3.804 . 0 0 "[ . 1 . 2]" 1
798 1 72 VAL H 1 76 ARG HA . . 4.100 3.449 3.174 3.718 . 0 0 "[ . 1 . 2]" 1
799 1 72 VAL H 1 77 VAL H . . 4.450 4.219 4.085 4.377 . 0 0 "[ . 1 . 2]" 1
800 1 72 VAL H 1 77 VAL MG1 . . 4.140 3.600 3.309 3.903 . 0 0 "[ . 1 . 2]" 1
801 1 72 VAL H 1 77 VAL MG2 . . 3.970 3.074 2.931 3.240 . 0 0 "[ . 1 . 2]" 1
802 1 72 VAL HA 1 72 VAL MG1 . . 3.730 2.379 2.353 2.398 . 0 0 "[ . 1 . 2]" 1
803 1 72 VAL HA 1 72 VAL MG2 . . 3.730 2.411 2.388 2.438 . 0 0 "[ . 1 . 2]" 1
804 1 72 VAL HA 1 73 ASN H . . 3.150 2.181 2.144 2.221 . 0 0 "[ . 1 . 2]" 1
805 1 72 VAL HA 1 73 ASN HA . . 4.590 4.320 4.297 4.363 . 0 0 "[ . 1 . 2]" 1
806 1 72 VAL HA 1 74 GLY H . . 4.430 3.828 3.532 4.269 . 0 0 "[ . 1 . 2]" 1
807 1 72 VAL HA 1 88 VAL HA . . 3.640 2.271 2.203 2.337 . 0 0 "[ . 1 . 2]" 1
808 1 72 VAL HA 1 88 VAL MG2 . . 4.270 3.102 2.862 3.440 . 0 0 "[ . 1 . 2]" 1
809 1 72 VAL HA 1 89 THR H . . 4.320 3.483 3.371 3.619 . 0 0 "[ . 1 . 2]" 1
810 1 72 VAL HB 1 77 VAL MG1 . . 4.150 3.287 3.030 3.548 . 0 0 "[ . 1 . 2]" 1
811 1 72 VAL HB 1 77 VAL MG2 . . 3.890 2.783 2.577 3.066 . 0 0 "[ . 1 . 2]" 1
812 1 72 VAL HB 1 80 ALA MB . . 4.750 3.605 3.231 4.039 . 0 0 "[ . 1 . 2]" 1
813 1 72 VAL HB 1 88 VAL MG2 . . 5.120 4.515 4.367 4.680 . 0 0 "[ . 1 . 2]" 1
814 1 72 VAL QG 1 73 ASN H . . 3.350 2.733 2.620 2.795 . 0 0 "[ . 1 . 2]" 1
815 1 72 VAL QG 1 73 ASN HA . . 4.700 4.019 3.939 4.095 . 0 0 "[ . 1 . 2]" 1
816 1 72 VAL QG 1 73 ASN QB . . 4.140 2.935 2.199 3.338 . 0 0 "[ . 1 . 2]" 1
817 1 72 VAL QG 1 73 ASN QD . . 3.670 3.250 3.002 3.673 0.003 14 0 "[ . 1 . 2]" 1
818 1 72 VAL QG 1 74 GLY H . . 5.110 4.472 4.326 4.649 . 0 0 "[ . 1 . 2]" 1
819 1 72 VAL QG 1 75 ALA H . . 5.140 4.354 4.273 4.416 . 0 0 "[ . 1 . 2]" 1
820 1 72 VAL QG 1 75 ALA MB . . 4.890 4.182 3.970 4.330 . 0 0 "[ . 1 . 2]" 1
821 1 72 VAL QG 1 77 VAL MG2 . . 3.140 2.173 2.059 2.310 . 0 0 "[ . 1 . 2]" 1
822 1 72 VAL QG 1 80 ALA MB . . 3.910 2.589 2.264 2.934 . 0 0 "[ . 1 . 2]" 1
823 1 72 VAL QG 1 82 LEU HA . . 4.400 4.037 3.889 4.172 . 0 0 "[ . 1 . 2]" 1
824 1 72 VAL QG 1 82 LEU QD . . 2.580 1.980 1.864 2.237 . 0 0 "[ . 1 . 2]" 1
825 1 72 VAL QG 1 82 LEU HG . . 4.290 3.774 3.620 4.033 . 0 0 "[ . 1 . 2]" 1
826 1 72 VAL QG 1 86 ASP H . . 5.440 5.442 5.440 5.448 0.008 19 0 "[ . 1 . 2]" 1
827 1 72 VAL QG 1 86 ASP QB . . 3.510 2.588 2.503 3.473 . 0 0 "[ . 1 . 2]" 1
828 1 72 VAL QG 1 87 VAL H . . 4.130 3.590 3.249 3.780 . 0 0 "[ . 1 . 2]" 1
829 1 72 VAL QG 1 88 VAL HA . . 3.810 2.872 2.648 2.983 . 0 0 "[ . 1 . 2]" 1
830 1 72 VAL QG 1 88 VAL MG2 . . 2.750 1.996 1.917 2.099 . 0 0 "[ . 1 . 2]" 1
831 1 72 VAL MG1 1 73 ASN H . . 4.390 2.774 2.650 2.840 . 0 0 "[ . 1 . 2]" 1
832 1 72 VAL MG1 1 80 ALA MB . . 4.640 3.249 2.935 3.734 . 0 0 "[ . 1 . 2]" 1
833 1 72 VAL MG1 1 82 LEU HG . . 4.990 4.284 4.120 4.607 . 0 0 "[ . 1 . 2]" 1
834 1 72 VAL MG1 1 88 VAL HA . . 4.350 3.453 3.304 3.635 . 0 0 "[ . 1 . 2]" 1
835 1 72 VAL MG1 1 88 VAL MG2 . . 3.400 2.380 2.185 2.633 . 0 0 "[ . 1 . 2]" 1
836 1 72 VAL MG2 1 73 ASN H . . 4.390 4.126 4.076 4.168 . 0 0 "[ . 1 . 2]" 1
837 1 72 VAL MG2 1 80 ALA MB . . 4.640 2.723 2.355 3.068 . 0 0 "[ . 1 . 2]" 1
838 1 72 VAL MG2 1 82 LEU HG . . 4.990 4.197 3.999 4.504 . 0 0 "[ . 1 . 2]" 1
839 1 72 VAL MG2 1 88 VAL HA . . 4.350 3.073 2.787 3.221 . 0 0 "[ . 1 . 2]" 1
840 1 72 VAL MG2 1 88 VAL MG2 . . 3.400 2.149 2.051 2.277 . 0 0 "[ . 1 . 2]" 1
841 1 73 ASN H 1 74 GLY H . . 3.740 2.921 2.876 3.078 . 0 0 "[ . 1 . 2]" 1
842 1 73 ASN H 1 87 VAL H . . 4.150 3.452 3.305 3.825 . 0 0 "[ . 1 . 2]" 1
843 1 73 ASN H 1 87 VAL HB . . 4.240 3.630 3.314 3.915 . 0 0 "[ . 1 . 2]" 1
844 1 73 ASN H 1 88 VAL HA . . 4.480 3.308 3.101 3.612 . 0 0 "[ . 1 . 2]" 1
845 1 73 ASN HA 1 74 GLY H . . 3.460 2.895 2.739 3.082 . 0 0 "[ . 1 . 2]" 1
846 1 73 ASN HA 1 87 VAL H . . 4.360 3.725 3.510 4.361 0.001 19 0 "[ . 1 . 2]" 1
847 1 73 ASN HA 1 87 VAL HB . . 4.360 3.207 2.828 3.679 . 0 0 "[ . 1 . 2]" 1
848 1 73 ASN HA 1 87 VAL QG . . 5.100 3.919 3.671 4.203 . 0 0 "[ . 1 . 2]" 1
849 1 73 ASN QB 1 73 ASN QD . . 3.050 2.279 2.220 2.506 . 0 0 "[ . 1 . 2]" 1
850 1 73 ASN QB 1 74 GLY H . . 4.400 3.911 3.799 4.019 . 0 0 "[ . 1 . 2]" 1
851 1 73 ASN HB2 1 74 GLY H . . 5.180 4.295 4.089 4.661 . 0 0 "[ . 1 . 2]" 1
852 1 73 ASN HB3 1 74 GLY H . . 5.180 4.516 4.358 4.543 . 0 0 "[ . 1 . 2]" 1
853 1 73 ASN QD 1 86 ASP HA . . 3.750 2.985 2.436 3.752 0.002 4 0 "[ . 1 . 2]" 1
854 1 73 ASN QD 1 87 VAL H . . 4.240 3.440 2.270 4.166 . 0 0 "[ . 1 . 2]" 1
855 1 74 GLY H 1 75 ALA H . . 3.530 2.691 2.600 2.741 . 0 0 "[ . 1 . 2]" 1
856 1 74 GLY H 1 87 VAL QG . . 5.400 4.847 4.439 5.192 . 0 0 "[ . 1 . 2]" 1
857 1 75 ALA H 1 75 ALA MB . . 2.990 2.362 2.317 2.487 . 0 0 "[ . 1 . 2]" 1
858 1 75 ALA H 1 76 ARG H . . 4.410 4.414 4.413 4.415 0.005 5 0 "[ . 1 . 2]" 1
859 1 75 ALA H 1 77 VAL MG1 . . 4.990 4.584 4.367 4.802 . 0 0 "[ . 1 . 2]" 1
860 1 75 ALA HA 1 76 ARG H . . 2.770 2.221 2.176 2.282 . 0 0 "[ . 1 . 2]" 1
861 1 75 ALA MB 1 76 ARG H . . 4.190 3.123 2.933 3.214 . 0 0 "[ . 1 . 2]" 1
862 1 75 ALA MB 1 77 VAL MG1 . . 4.220 2.779 2.658 2.885 . 0 0 "[ . 1 . 2]" 1
863 1 75 ALA MB 1 77 VAL MG2 . . 4.200 4.202 4.200 4.203 0.003 6 0 "[ . 1 . 2]" 1
864 1 76 ARG H 1 76 ARG HB2 . . 3.750 3.082 2.571 3.751 0.001 9 0 "[ . 1 . 2]" 1
865 1 76 ARG H 1 76 ARG QB . . 2.910 2.476 2.262 2.798 . 0 0 "[ . 1 . 2]" 1
866 1 76 ARG H 1 76 ARG HB3 . . 3.750 2.679 2.459 3.733 . 0 0 "[ . 1 . 2]" 1
867 1 76 ARG H 1 76 ARG HD2 . . 5.500 4.559 2.107 5.161 . 0 0 "[ . 1 . 2]" 1
868 1 76 ARG H 1 76 ARG QD . . 4.830 3.972 1.810 4.498 . 0 0 "[ . 1 . 2]" 1
869 1 76 ARG H 1 76 ARG HD3 . . 5.500 4.397 1.972 5.258 . 0 0 "[ . 1 . 2]" 1
870 1 76 ARG H 1 76 ARG QG . . 4.610 3.414 2.226 4.050 . 0 0 "[ . 1 . 2]" 1
871 1 76 ARG H 1 77 VAL MG1 . . 5.190 4.207 3.950 4.458 . 0 0 "[ . 1 . 2]" 1
872 1 76 ARG HA 1 77 VAL H . . 2.890 2.159 2.028 2.212 . 0 0 "[ . 1 . 2]" 1
873 1 76 ARG HA 1 77 VAL MG1 . . 3.980 3.650 3.552 3.806 . 0 0 "[ . 1 . 2]" 1
874 1 76 ARG HA 1 77 VAL MG2 . . 4.390 3.442 3.237 3.574 . 0 0 "[ . 1 . 2]" 1
875 1 76 ARG QB 1 76 ARG QD . . 3.250 2.131 2.068 2.264 . 0 0 "[ . 1 . 2]" 1
876 1 76 ARG QB 1 77 VAL H . . 4.260 3.319 2.676 3.812 . 0 0 "[ . 1 . 2]" 1
877 1 76 ARG QB 1 77 VAL MG2 . . 5.340 4.773 4.369 5.093 . 0 0 "[ . 1 . 2]" 1
878 1 76 ARG HD2 1 77 VAL H . . 5.500 5.350 4.901 5.506 0.006 11 0 "[ . 1 . 2]" 1
879 1 76 ARG HD3 1 77 VAL H . . 5.500 5.431 4.738 5.505 0.005 4 0 "[ . 1 . 2]" 1
880 1 76 ARG QG 1 77 VAL H . . 4.180 3.314 2.740 4.048 . 0 0 "[ . 1 . 2]" 1
881 1 77 VAL H 1 77 VAL MG1 . . 3.320 3.147 3.073 3.272 . 0 0 "[ . 1 . 2]" 1
882 1 77 VAL H 1 77 VAL MG2 . . 3.170 2.321 2.261 2.407 . 0 0 "[ . 1 . 2]" 1
883 1 77 VAL HA 1 77 VAL MG1 . . 3.260 2.314 2.291 2.327 . 0 0 "[ . 1 . 2]" 1
884 1 77 VAL HA 1 78 ASP H . . 2.880 2.329 2.256 2.379 . 0 0 "[ . 1 . 2]" 1
885 1 77 VAL HA 1 79 ALA H . . 4.580 4.171 4.066 4.287 . 0 0 "[ . 1 . 2]" 1
886 1 77 VAL HB 1 78 ASP H . . 3.220 2.660 2.590 2.769 . 0 0 "[ . 1 . 2]" 1
887 1 77 VAL HB 1 79 ALA H . . 3.250 2.819 2.640 2.960 . 0 0 "[ . 1 . 2]" 1
888 1 77 VAL HB 1 80 ALA MB . . 3.700 2.874 2.587 3.186 . 0 0 "[ . 1 . 2]" 1
889 1 77 VAL MG1 1 78 ASP H . . 3.720 3.717 3.671 3.721 0.001 16 0 "[ . 1 . 2]" 1
890 1 77 VAL MG1 1 79 ALA H . . 4.700 4.374 4.239 4.519 . 0 0 "[ . 1 . 2]" 1
891 1 77 VAL MG1 1 80 ALA MB . . 3.400 2.622 2.305 2.971 . 0 0 "[ . 1 . 2]" 1
892 1 77 VAL MG2 1 78 ASP H . . 3.920 3.781 3.699 3.875 . 0 0 "[ . 1 . 2]" 1
893 1 77 VAL MG2 1 79 ALA H . . 3.910 3.780 3.593 3.910 0.000 14 0 "[ . 1 . 2]" 1
894 1 77 VAL MG2 1 79 ALA HA . . 4.880 3.860 3.696 4.048 . 0 0 "[ . 1 . 2]" 1
895 1 77 VAL MG2 1 80 ALA H . . 4.640 4.118 3.888 4.278 . 0 0 "[ . 1 . 2]" 1
896 1 77 VAL MG2 1 80 ALA MB . . 3.330 2.170 2.030 2.376 . 0 0 "[ . 1 . 2]" 1
897 1 78 ASP H 1 78 ASP HB2 . . 3.980 3.211 2.368 3.676 . 0 0 "[ . 1 . 2]" 1
898 1 78 ASP H 1 78 ASP QB . . 3.180 2.551 2.268 2.701 . 0 0 "[ . 1 . 2]" 1
899 1 78 ASP H 1 78 ASP HB3 . . 3.980 2.934 2.457 3.666 . 0 0 "[ . 1 . 2]" 1
900 1 78 ASP H 1 79 ALA H . . 2.860 2.307 2.254 2.391 . 0 0 "[ . 1 . 2]" 1
901 1 78 ASP H 1 79 ALA HA . . 4.860 4.816 4.718 4.862 0.002 10 0 "[ . 1 . 2]" 1
902 1 78 ASP H 1 79 ALA MB . . 4.520 4.518 4.468 4.523 0.003 5 0 "[ . 1 . 2]" 1
903 1 78 ASP HB2 1 79 ALA H . . 3.970 3.537 2.553 3.971 0.001 2 0 "[ . 1 . 2]" 1
904 1 78 ASP HB3 1 79 ALA H . . 3.970 3.699 2.602 3.975 0.005 7 0 "[ . 1 . 2]" 1
905 1 79 ALA H 1 79 ALA MB . . 3.210 2.686 2.660 2.710 . 0 0 "[ . 1 . 2]" 1
906 1 79 ALA H 1 80 ALA H . . 4.310 4.271 4.181 4.313 0.003 16 0 "[ . 1 . 2]" 1
907 1 79 ALA HA 1 80 ALA H . . 2.840 2.353 2.277 2.465 . 0 0 "[ . 1 . 2]" 1
908 1 79 ALA MB 1 80 ALA H . . 3.440 2.787 2.721 2.857 . 0 0 "[ . 1 . 2]" 1
909 1 80 ALA H 1 80 ALA MB . . 3.520 2.782 2.755 2.865 . 0 0 "[ . 1 . 2]" 1
910 1 80 ALA H 1 81 LEU HA . . 4.910 4.525 4.300 4.674 . 0 0 "[ . 1 . 2]" 1
911 1 80 ALA H 1 81 LEU QD . . 5.180 5.033 4.602 5.186 0.006 18 0 "[ . 1 . 2]" 1
912 1 80 ALA HA 1 81 LEU H . . 2.810 2.422 2.378 2.479 . 0 0 "[ . 1 . 2]" 1
913 1 80 ALA HA 1 81 LEU HA . . 4.430 4.421 4.395 4.432 0.002 3 0 "[ . 1 . 2]" 1
914 1 80 ALA HA 1 81 LEU QB . . 5.020 4.371 3.881 4.624 . 0 0 "[ . 1 . 2]" 1
915 1 80 ALA MB 1 81 LEU H . . 3.310 2.620 2.484 2.734 . 0 0 "[ . 1 . 2]" 1
916 1 81 LEU H 1 81 LEU HB2 . . 3.750 2.563 2.397 2.831 . 0 0 "[ . 1 . 2]" 1
917 1 81 LEU H 1 81 LEU QB . . 3.240 2.380 2.202 2.446 . 0 0 "[ . 1 . 2]" 1
918 1 81 LEU H 1 81 LEU HB3 . . 3.750 3.246 2.409 3.681 . 0 0 "[ . 1 . 2]" 1
919 1 81 LEU H 1 81 LEU MD1 . . 4.630 3.814 2.563 4.257 . 0 0 "[ . 1 . 2]" 1
920 1 81 LEU H 1 81 LEU QD . . 3.830 3.446 2.539 3.832 0.002 7 0 "[ . 1 . 2]" 1
921 1 81 LEU H 1 81 LEU MD2 . . 4.630 4.022 3.675 4.398 . 0 0 "[ . 1 . 2]" 1
922 1 81 LEU H 1 81 LEU HG . . 4.490 3.456 2.606 4.494 0.004 16 0 "[ . 1 . 2]" 1
923 1 81 LEU HA 1 81 LEU QD . . 3.710 2.180 2.051 2.773 . 0 0 "[ . 1 . 2]" 1
924 1 81 LEU HA 1 82 LEU H . . 2.870 2.244 2.193 2.285 . 0 0 "[ . 1 . 2]" 1
925 1 81 LEU QB 1 82 LEU H . . 4.020 3.479 3.061 3.980 . 0 0 "[ . 1 . 2]" 1
926 1 81 LEU QB 1 83 HIS HE1 . . 4.290 2.837 1.905 4.291 0.001 7 0 "[ . 1 . 2]" 1
927 1 81 LEU HB2 1 82 LEU H . . 4.770 4.388 4.206 4.577 . 0 0 "[ . 1 . 2]" 1
928 1 81 LEU HB3 1 82 LEU H . . 4.770 3.686 3.134 4.374 . 0 0 "[ . 1 . 2]" 1
929 1 81 LEU QD 1 82 LEU H . . 4.430 3.448 2.627 4.232 . 0 0 "[ . 1 . 2]" 1
930 1 81 LEU QD 1 83 HIS HE1 . . 3.960 2.672 1.830 3.959 . 0 0 "[ . 1 . 2]" 1
931 1 82 LEU H 1 82 LEU HB2 . . 3.320 2.472 2.407 2.511 . 0 0 "[ . 1 . 2]" 1
932 1 82 LEU H 1 82 LEU HB3 . . 3.670 3.671 3.649 3.675 0.005 19 0 "[ . 1 . 2]" 1
933 1 82 LEU H 1 82 LEU QD . . 4.500 3.393 3.316 3.462 . 0 0 "[ . 1 . 2]" 1
934 1 82 LEU H 1 82 LEU HG . . 3.580 2.796 2.695 2.899 . 0 0 "[ . 1 . 2]" 1
935 1 82 LEU H 1 83 HIS H . . 5.150 4.481 4.413 4.543 . 0 0 "[ . 1 . 2]" 1
936 1 82 LEU HA 1 82 LEU QD . . 3.180 2.119 2.074 2.157 . 0 0 "[ . 1 . 2]" 1
937 1 82 LEU HA 1 82 LEU HG . . 4.260 3.143 2.972 3.259 . 0 0 "[ . 1 . 2]" 1
938 1 82 LEU HA 1 83 HIS H . . 2.920 2.105 2.034 2.213 . 0 0 "[ . 1 . 2]" 1
939 1 82 LEU HB2 1 83 HIS H . . 5.300 4.097 3.936 4.253 . 0 0 "[ . 1 . 2]" 1
940 1 82 LEU HB3 1 83 HIS H . . 3.850 2.994 2.760 3.187 . 0 0 "[ . 1 . 2]" 1
941 1 82 LEU HB3 1 97 PHE HB3 . . 4.620 3.251 3.006 3.560 . 0 0 "[ . 1 . 2]" 1
942 1 82 LEU QD 1 83 HIS H . . 3.460 3.354 3.220 3.462 0.002 13 0 "[ . 1 . 2]" 1
943 1 82 LEU QD 1 86 ASP H . . 4.290 4.280 4.167 4.293 0.003 3 0 "[ . 1 . 2]" 1
944 1 82 LEU QD 1 86 ASP HA . . 4.490 4.485 4.419 4.497 0.007 11 0 "[ . 1 . 2]" 1
945 1 82 LEU QD 1 86 ASP QB . . 3.540 2.147 2.087 2.446 . 0 0 "[ . 1 . 2]" 1
946 1 82 LEU QD 1 87 VAL H . . 5.070 4.579 4.220 4.798 . 0 0 "[ . 1 . 2]" 1
947 1 82 LEU QD 1 88 VAL MG2 . . 2.720 2.062 1.930 2.240 . 0 0 "[ . 1 . 2]" 1
948 1 82 LEU QD 1 97 PHE HB2 . . 4.070 2.363 2.162 2.670 . 0 0 "[ . 1 . 2]" 1
949 1 82 LEU QD 1 97 PHE HB3 . . 4.970 3.190 3.016 3.431 . 0 0 "[ . 1 . 2]" 1
950 1 82 LEU QD 1 97 PHE HD1 . . 3.940 2.746 2.509 3.941 0.001 11 0 "[ . 1 . 2]" 1
951 1 82 LEU QD 1 97 PHE HE1 . . 4.620 3.451 3.069 4.620 0.000 11 0 "[ . 1 . 2]" 1
952 1 82 LEU QD 1 102 LEU QD . . 3.690 2.749 2.359 3.288 . 0 0 "[ . 1 . 2]" 1
953 1 82 LEU QD 1 102 LEU HG . . 5.180 4.330 3.484 5.182 0.002 19 0 "[ . 1 . 2]" 1
954 1 82 LEU MD1 1 88 VAL MG2 . . 3.550 2.276 2.135 2.404 . 0 0 "[ . 1 . 2]" 1
955 1 82 LEU MD2 1 88 VAL MG2 . . 3.550 2.377 2.134 2.696 . 0 0 "[ . 1 . 2]" 1
956 1 82 LEU HG 1 83 HIS H . . 5.080 5.010 4.872 5.081 0.001 13 0 "[ . 1 . 2]" 1
957 1 83 HIS H 1 83 HIS HB2 . . 4.090 2.614 2.444 2.786 . 0 0 "[ . 1 . 2]" 1
958 1 83 HIS H 1 83 HIS QB . . 3.400 2.567 2.409 2.725 . 0 0 "[ . 1 . 2]" 1
959 1 83 HIS H 1 83 HIS HB3 . . 4.090 3.755 3.645 3.860 . 0 0 "[ . 1 . 2]" 1
960 1 83 HIS H 1 86 ASP QB . . 4.380 3.126 2.536 3.518 . 0 0 "[ . 1 . 2]" 1
961 1 83 HIS H 1 97 PHE HD2 . . 5.090 4.003 3.753 4.385 . 0 0 "[ . 1 . 2]" 1
962 1 83 HIS HA 1 84 ASP H . . 2.960 2.547 2.454 2.652 . 0 0 "[ . 1 . 2]" 1
963 1 83 HIS HA 1 84 ASP QB . . 4.760 4.443 4.066 4.725 . 0 0 "[ . 1 . 2]" 1
964 1 83 HIS QB 1 84 ASP H . . 3.390 2.460 2.280 2.637 . 0 0 "[ . 1 . 2]" 1
965 1 84 ASP H 1 84 ASP QB . . 2.860 2.414 2.136 2.529 . 0 0 "[ . 1 . 2]" 1
966 1 84 ASP H 1 85 GLY H . . 4.450 4.457 4.452 4.459 0.009 11 0 "[ . 1 . 2]" 1
967 1 84 ASP H 1 97 PHE HD2 . . 4.360 3.950 3.764 4.161 . 0 0 "[ . 1 . 2]" 1
968 1 84 ASP H 1 97 PHE HE2 . . 4.290 4.185 3.853 4.291 0.001 18 0 "[ . 1 . 2]" 1
969 1 84 ASP HA 1 85 GLY H . . 3.100 2.051 2.017 2.146 . 0 0 "[ . 1 . 2]" 1
970 1 84 ASP HA 1 85 GLY QA . . 4.490 3.869 3.850 3.908 . 0 0 "[ . 1 . 2]" 1
971 1 84 ASP HA 1 86 ASP H . . 3.990 3.482 3.288 3.742 . 0 0 "[ . 1 . 2]" 1
972 1 84 ASP HA 1 97 PHE HD2 . . 3.690 2.424 2.191 2.679 . 0 0 "[ . 1 . 2]" 1
973 1 84 ASP HA 1 98 ALA HA . . 3.790 3.006 2.613 3.546 . 0 0 "[ . 1 . 2]" 1
974 1 84 ASP QB 1 85 GLY H . . 4.140 3.245 2.751 3.953 . 0 0 "[ . 1 . 2]" 1
975 1 84 ASP QB 1 98 ALA HA . . 4.270 3.232 2.556 3.944 . 0 0 "[ . 1 . 2]" 1
976 1 84 ASP QB 1 98 ALA MB . . 4.560 3.952 2.991 4.562 0.002 6 0 "[ . 1 . 2]" 1
977 1 84 ASP HB2 1 98 ALA HA . . 5.030 3.841 2.659 5.031 0.001 5 0 "[ . 1 . 2]" 1
978 1 84 ASP HB3 1 98 ALA HA . . 5.030 3.717 2.833 4.971 . 0 0 "[ . 1 . 2]" 1
979 1 85 GLY H 1 86 ASP H . . 3.170 2.558 2.374 2.678 . 0 0 "[ . 1 . 2]" 1
980 1 85 GLY H 1 96 VAL QG . . 4.330 3.758 3.570 4.007 . 0 0 "[ . 1 . 2]" 1
981 1 85 GLY H 1 97 PHE H . . 4.360 3.862 3.659 4.045 . 0 0 "[ . 1 . 2]" 1
982 1 85 GLY H 1 98 ALA HA . . 4.170 3.373 3.048 3.641 . 0 0 "[ . 1 . 2]" 1
983 1 85 GLY H 1 98 ALA MB . . 4.530 3.881 3.323 4.319 . 0 0 "[ . 1 . 2]" 1
984 1 85 GLY QA 1 96 VAL QG . . 3.970 2.830 2.487 3.156 . 0 0 "[ . 1 . 2]" 1
985 1 86 ASP H 1 86 ASP HB2 . . 3.710 2.464 2.354 3.625 . 0 0 "[ . 1 . 2]" 1
986 1 86 ASP H 1 86 ASP QB . . 2.860 2.374 2.170 2.609 . 0 0 "[ . 1 . 2]" 1
987 1 86 ASP H 1 86 ASP HB3 . . 3.710 3.526 2.509 3.661 . 0 0 "[ . 1 . 2]" 1
988 1 86 ASP H 1 87 VAL H . . 4.670 4.650 4.577 4.671 0.001 11 0 "[ . 1 . 2]" 1
989 1 86 ASP H 1 96 VAL QG . . 4.420 4.364 4.107 4.424 0.004 20 0 "[ . 1 . 2]" 1
990 1 86 ASP H 1 97 PHE HB2 . . 4.490 4.492 4.490 4.493 0.003 6 0 "[ . 1 . 2]" 1
991 1 86 ASP H 1 97 PHE HB3 . . 3.670 2.885 2.814 3.042 . 0 0 "[ . 1 . 2]" 1
992 1 86 ASP H 1 97 PHE HD2 . . 4.130 3.696 3.494 4.131 0.001 11 0 "[ . 1 . 2]" 1
993 1 86 ASP HA 1 87 VAL H . . 2.990 2.256 2.184 2.350 . 0 0 "[ . 1 . 2]" 1
994 1 86 ASP HA 1 87 VAL HB . . 4.990 4.539 4.441 4.813 . 0 0 "[ . 1 . 2]" 1
995 1 86 ASP HA 1 87 VAL QG . . 4.480 3.380 3.127 3.738 . 0 0 "[ . 1 . 2]" 1
996 1 86 ASP QB 1 87 VAL H . . 3.510 2.884 2.569 3.513 0.003 19 0 "[ . 1 . 2]" 1
997 1 86 ASP QB 1 97 PHE H . . 4.260 3.953 3.762 4.267 0.007 11 0 "[ . 1 . 2]" 1
998 1 86 ASP QB 1 97 PHE HB3 . . 4.150 2.803 2.522 4.022 . 0 0 "[ . 1 . 2]" 1
999 1 87 VAL H 1 87 VAL HB . . 3.200 2.568 2.449 2.697 . 0 0 "[ . 1 . 2]" 1
1000 1 87 VAL H 1 87 VAL MG1 . . 4.620 3.854 3.800 3.905 . 0 0 "[ . 1 . 2]" 1
1001 1 87 VAL H 1 87 VAL QG . . 3.290 2.655 2.544 2.801 . 0 0 "[ . 1 . 2]" 1
1002 1 87 VAL H 1 87 VAL MG2 . . 4.620 2.706 2.583 2.871 . 0 0 "[ . 1 . 2]" 1
1003 1 87 VAL HA 1 87 VAL MG1 . . 3.350 2.381 2.363 2.409 . 0 0 "[ . 1 . 2]" 1
1004 1 87 VAL HA 1 87 VAL MG2 . . 3.350 2.359 2.329 2.390 . 0 0 "[ . 1 . 2]" 1
1005 1 87 VAL HA 1 88 VAL H . . 3.070 2.160 2.116 2.197 . 0 0 "[ . 1 . 2]" 1
1006 1 87 VAL HA 1 95 LEU HA . . 5.500 5.495 5.430 5.503 0.003 11 0 "[ . 1 . 2]" 1
1007 1 87 VAL HA 1 97 PHE H . . 4.690 3.798 3.527 4.466 . 0 0 "[ . 1 . 2]" 1
1008 1 87 VAL QG 1 88 VAL H . . 3.370 2.642 2.569 2.795 . 0 0 "[ . 1 . 2]" 1
1009 1 87 VAL QG 1 88 VAL HA . . 4.910 3.814 3.598 3.886 . 0 0 "[ . 1 . 2]" 1
1010 1 87 VAL QG 1 94 ASP HA . . 4.050 3.366 3.160 3.521 . 0 0 "[ . 1 . 2]" 1
1011 1 87 VAL QG 1 94 ASP QB . . 3.350 2.454 2.152 3.360 0.010 15 0 "[ . 1 . 2]" 1
1012 1 87 VAL QG 1 95 LEU H . . 3.520 3.381 3.190 3.521 0.001 16 0 "[ . 1 . 2]" 1
1013 1 87 VAL QG 1 97 PHE H . . 5.310 4.181 3.964 4.896 . 0 0 "[ . 1 . 2]" 1
1014 1 87 VAL MG1 1 88 VAL H . . 4.440 2.679 2.602 2.843 . 0 0 "[ . 1 . 2]" 1
1015 1 87 VAL MG2 1 88 VAL H . . 4.440 4.024 3.959 4.122 . 0 0 "[ . 1 . 2]" 1
1016 1 88 VAL H 1 88 VAL HB . . 3.420 2.610 2.539 2.728 . 0 0 "[ . 1 . 2]" 1
1017 1 88 VAL H 1 88 VAL MG1 . . 4.150 3.867 3.826 3.922 . 0 0 "[ . 1 . 2]" 1
1018 1 88 VAL H 1 88 VAL MG2 . . 3.510 2.594 2.507 2.676 . 0 0 "[ . 1 . 2]" 1
1019 1 88 VAL H 1 95 LEU H . . 3.900 2.973 2.847 3.076 . 0 0 "[ . 1 . 2]" 1
1020 1 88 VAL H 1 95 LEU QB . . 4.330 3.196 2.810 3.406 . 0 0 "[ . 1 . 2]" 1
1021 1 88 VAL H 1 96 VAL HA . . 4.250 3.606 3.405 3.781 . 0 0 "[ . 1 . 2]" 1
1022 1 88 VAL H 1 96 VAL QG . . 5.440 4.393 3.903 4.963 . 0 0 "[ . 1 . 2]" 1
1023 1 88 VAL HA 1 88 VAL MG1 . . 3.600 2.367 2.319 2.392 . 0 0 "[ . 1 . 2]" 1
1024 1 88 VAL HA 1 88 VAL MG2 . . 3.240 2.478 2.432 2.520 . 0 0 "[ . 1 . 2]" 1
1025 1 88 VAL HA 1 89 THR H . . 3.000 2.277 2.237 2.323 . 0 0 "[ . 1 . 2]" 1
1026 1 88 VAL HA 1 95 LEU QB . . 5.000 4.615 4.329 4.793 . 0 0 "[ . 1 . 2]" 1
1027 1 88 VAL HB 1 95 LEU H . . 4.280 3.452 3.249 3.780 . 0 0 "[ . 1 . 2]" 1
1028 1 88 VAL HB 1 95 LEU HB2 . . 4.360 2.107 1.920 2.243 . 0 0 "[ . 1 . 2]" 1
1029 1 88 VAL HB 1 95 LEU QB . . 3.730 2.080 1.908 2.211 . 0 0 "[ . 1 . 2]" 1
1030 1 88 VAL HB 1 95 LEU HB3 . . 4.360 3.238 2.963 3.687 . 0 0 "[ . 1 . 2]" 1
1031 1 88 VAL HB 1 95 LEU MD1 . . 5.000 4.750 3.498 4.982 . 0 0 "[ . 1 . 2]" 1
1032 1 88 VAL HB 1 95 LEU QD . . 4.270 3.758 3.278 3.992 . 0 0 "[ . 1 . 2]" 1
1033 1 88 VAL HB 1 95 LEU MD2 . . 5.000 4.009 3.347 5.002 0.002 17 0 "[ . 1 . 2]" 1
1034 1 88 VAL HB 1 95 LEU HG . . 4.350 4.038 3.495 4.309 . 0 0 "[ . 1 . 2]" 1
1035 1 88 VAL MG1 1 89 THR H . . 3.370 2.636 2.557 2.706 . 0 0 "[ . 1 . 2]" 1
1036 1 88 VAL MG1 1 89 THR HA . . 4.310 3.859 3.745 3.946 . 0 0 "[ . 1 . 2]" 1
1037 1 88 VAL MG1 1 90 ILE H . . 4.680 3.963 3.822 4.083 . 0 0 "[ . 1 . 2]" 1
1038 1 88 VAL MG1 1 90 ILE HB . . 5.310 4.153 3.916 4.261 . 0 0 "[ . 1 . 2]" 1
1039 1 88 VAL MG1 1 90 ILE MD . . 3.460 2.582 2.396 2.856 . 0 0 "[ . 1 . 2]" 1
1040 1 88 VAL MG1 1 90 ILE HG12 . . 4.180 3.318 2.983 3.644 . 0 0 "[ . 1 . 2]" 1
1041 1 88 VAL MG1 1 90 ILE HG13 . . 3.520 2.122 2.013 2.307 . 0 0 "[ . 1 . 2]" 1
1042 1 88 VAL MG1 1 95 LEU QB . . 3.930 3.299 3.119 3.518 . 0 0 "[ . 1 . 2]" 1
1043 1 88 VAL MG1 1 95 LEU HG . . 4.510 4.359 4.067 4.510 0.000 3 0 "[ . 1 . 2]" 1
1044 1 88 VAL MG2 1 89 THR H . . 4.570 4.225 4.159 4.276 . 0 0 "[ . 1 . 2]" 1
1045 1 88 VAL MG2 1 95 LEU HA . . 5.500 5.502 5.501 5.505 0.005 1 0 "[ . 1 . 2]" 1
1046 1 88 VAL MG2 1 95 LEU HB2 . . 4.280 3.630 3.318 3.768 . 0 0 "[ . 1 . 2]" 1
1047 1 88 VAL MG2 1 95 LEU HB3 . . 4.280 3.959 3.724 4.281 0.001 17 0 "[ . 1 . 2]" 1
1048 1 88 VAL MG2 1 97 PHE HB2 . . 4.170 3.354 2.910 3.908 . 0 0 "[ . 1 . 2]" 1
1049 1 88 VAL MG2 1 97 PHE HB3 . . 5.280 4.297 3.825 4.680 . 0 0 "[ . 1 . 2]" 1
1050 1 89 THR H 1 89 THR HB . . 3.580 2.654 2.611 2.717 . 0 0 "[ . 1 . 2]" 1
1051 1 89 THR H 1 89 THR MG . . 4.290 3.924 3.901 3.952 . 0 0 "[ . 1 . 2]" 1
1052 1 89 THR HA 1 89 THR MG . . 3.530 2.360 2.350 2.377 . 0 0 "[ . 1 . 2]" 1
1053 1 89 THR HA 1 90 ILE H . . 2.930 2.166 2.110 2.192 . 0 0 "[ . 1 . 2]" 1
1054 1 89 THR HA 1 94 ASP HA . . 3.670 2.614 2.412 2.815 . 0 0 "[ . 1 . 2]" 1
1055 1 89 THR HA 1 95 LEU H . . 4.190 3.317 3.203 3.448 . 0 0 "[ . 1 . 2]" 1
1056 1 89 THR MG 1 90 ILE H . . 3.440 2.939 2.873 2.986 . 0 0 "[ . 1 . 2]" 1
1057 1 89 THR MG 1 91 GLY H . . 4.390 3.934 3.631 4.119 . 0 0 "[ . 1 . 2]" 1
1058 1 89 THR MG 1 92 ASN H . . 3.880 2.692 2.521 2.858 . 0 0 "[ . 1 . 2]" 1
1059 1 89 THR MG 1 92 ASN HA . . 3.530 2.485 2.294 2.661 . 0 0 "[ . 1 . 2]" 1
1060 1 89 THR MG 1 93 ILE H . . 3.740 3.189 3.019 3.314 . 0 0 "[ . 1 . 2]" 1
1061 1 89 THR MG 1 94 ASP HA . . 4.320 3.617 3.335 3.872 . 0 0 "[ . 1 . 2]" 1
1062 1 89 THR MG 1 95 LEU H . . 5.500 4.946 4.804 5.112 . 0 0 "[ . 1 . 2]" 1
1063 1 90 ILE H 1 90 ILE HB . . 3.430 2.689 2.635 2.745 . 0 0 "[ . 1 . 2]" 1
1064 1 90 ILE H 1 90 ILE MD . . 4.430 4.176 4.115 4.243 . 0 0 "[ . 1 . 2]" 1
1065 1 90 ILE H 1 90 ILE MG . . 4.250 3.887 3.853 3.923 . 0 0 "[ . 1 . 2]" 1
1066 1 90 ILE H 1 92 ASN H . . 4.360 4.202 4.148 4.283 . 0 0 "[ . 1 . 2]" 1
1067 1 90 ILE H 1 93 ILE H . . 3.770 3.020 2.956 3.102 . 0 0 "[ . 1 . 2]" 1
1068 1 90 ILE H 1 93 ILE HB . . 4.530 3.520 3.185 3.745 . 0 0 "[ . 1 . 2]" 1
1069 1 90 ILE H 1 93 ILE MG . . 5.140 4.427 4.206 4.629 . 0 0 "[ . 1 . 2]" 1
1070 1 90 ILE H 1 94 ASP HA . . 4.500 3.831 3.653 4.012 . 0 0 "[ . 1 . 2]" 1
1071 1 90 ILE HA 1 90 ILE MD . . 4.040 3.921 3.885 3.939 . 0 0 "[ . 1 . 2]" 1
1072 1 90 ILE HA 1 90 ILE HG12 . . 3.850 2.596 2.554 2.626 . 0 0 "[ . 1 . 2]" 1
1073 1 90 ILE HA 1 90 ILE HG13 . . 3.920 2.980 2.893 3.056 . 0 0 "[ . 1 . 2]" 1
1074 1 90 ILE HA 1 90 ILE MG . . 3.680 2.451 2.400 2.511 . 0 0 "[ . 1 . 2]" 1
1075 1 90 ILE HA 1 91 GLY H . . 3.060 2.259 2.241 2.288 . 0 0 "[ . 1 . 2]" 1
1076 1 90 ILE HA 1 91 GLY HA2 . . 4.500 4.425 4.397 4.461 . 0 0 "[ . 1 . 2]" 1
1077 1 90 ILE HA 1 91 GLY HA3 . . 4.560 4.399 4.360 4.430 . 0 0 "[ . 1 . 2]" 1
1078 1 90 ILE HB 1 91 GLY H . . 4.420 4.342 4.296 4.397 . 0 0 "[ . 1 . 2]" 1
1079 1 90 ILE HB 1 93 ILE HB . . 4.390 3.743 3.134 4.303 . 0 0 "[ . 1 . 2]" 1
1080 1 90 ILE HB 1 93 ILE MG . . 5.500 4.736 4.268 5.244 . 0 0 "[ . 1 . 2]" 1
1081 1 90 ILE MD 1 90 ILE MG . . 3.140 2.060 2.041 2.081 . 0 0 "[ . 1 . 2]" 1
1082 1 90 ILE HG12 1 90 ILE MG . . 3.650 2.459 2.420 2.490 . 0 0 "[ . 1 . 2]" 1
1083 1 90 ILE MG 1 91 GLY H . . 3.860 2.807 2.663 2.952 . 0 0 "[ . 1 . 2]" 1
1084 1 90 ILE MG 1 91 GLY HA3 . . 4.510 3.078 3.005 3.127 . 0 0 "[ . 1 . 2]" 1
1085 1 90 ILE MG 1 93 ILE MG . . 5.500 5.179 4.870 5.440 . 0 0 "[ . 1 . 2]" 1
1086 1 91 GLY H 1 92 ASN H . . 3.840 2.800 2.687 3.038 . 0 0 "[ . 1 . 2]" 1
1087 1 91 GLY H 1 93 ILE H . . 4.920 4.171 4.121 4.230 . 0 0 "[ . 1 . 2]" 1
1088 1 91 GLY H 1 93 ILE HG12 . . 5.500 5.504 5.502 5.506 0.006 4 0 "[ . 1 . 2]" 1
1089 1 91 GLY HA2 1 93 ILE H . . 4.900 4.375 4.344 4.416 . 0 0 "[ . 1 . 2]" 1
1090 1 91 GLY HA3 1 93 ILE H . . 4.040 3.622 3.492 3.688 . 0 0 "[ . 1 . 2]" 1
1091 1 92 ASN H 1 93 ILE H . . 3.270 2.791 2.722 2.854 . 0 0 "[ . 1 . 2]" 1
1092 1 92 ASN QB 1 92 ASN QD . . 3.070 2.226 2.159 2.267 . 0 0 "[ . 1 . 2]" 1
1093 1 92 ASN QB 1 93 ILE H . . 4.110 3.869 3.802 3.895 . 0 0 "[ . 1 . 2]" 1
1094 1 93 ILE H 1 93 ILE HB . . 3.110 2.510 2.484 2.531 . 0 0 "[ . 1 . 2]" 1
1095 1 93 ILE H 1 93 ILE MD . . 4.560 3.630 3.577 3.753 . 0 0 "[ . 1 . 2]" 1
1096 1 93 ILE H 1 93 ILE HG12 . . 3.550 2.617 2.513 2.671 . 0 0 "[ . 1 . 2]" 1
1097 1 93 ILE H 1 93 ILE HG13 . . 4.250 3.972 3.871 4.027 . 0 0 "[ . 1 . 2]" 1
1098 1 93 ILE H 1 93 ILE MG . . 3.890 3.825 3.813 3.840 . 0 0 "[ . 1 . 2]" 1
1099 1 93 ILE HA 1 93 ILE MD . . 3.400 2.226 2.187 2.315 . 0 0 "[ . 1 . 2]" 1
1100 1 93 ILE HA 1 93 ILE HG12 . . 4.240 3.224 3.173 3.259 . 0 0 "[ . 1 . 2]" 1
1101 1 93 ILE HA 1 93 ILE MG . . 3.420 2.410 2.370 2.430 . 0 0 "[ . 1 . 2]" 1
1102 1 93 ILE HA 1 94 ASP H . . 2.740 2.252 2.198 2.318 . 0 0 "[ . 1 . 2]" 1
1103 1 93 ILE MD 1 94 ASP H . . 4.250 3.958 3.877 4.117 . 0 0 "[ . 1 . 2]" 1
1104 1 93 ILE MD 1 104 ARG HG2 . . 4.910 4.621 3.822 4.914 0.004 15 0 "[ . 1 . 2]" 1
1105 1 93 ILE MD 1 104 ARG QG . . 4.300 4.036 3.697 4.302 0.002 15 0 "[ . 1 . 2]" 1
1106 1 93 ILE MD 1 104 ARG HG3 . . 4.910 4.595 4.135 4.916 0.006 12 0 "[ . 1 . 2]" 1
1107 1 93 ILE HG12 1 93 ILE MG . . 3.420 3.266 3.249 3.276 . 0 0 "[ . 1 . 2]" 1
1108 1 93 ILE HG13 1 93 ILE MG . . 3.510 2.360 2.340 2.387 . 0 0 "[ . 1 . 2]" 1
1109 1 93 ILE MG 1 94 ASP H . . 3.300 2.751 2.658 2.994 . 0 0 "[ . 1 . 2]" 1
1110 1 93 ILE MG 1 94 ASP HA . . 4.600 3.991 3.847 4.078 . 0 0 "[ . 1 . 2]" 1
1111 1 93 ILE MG 1 94 ASP QB . . 5.160 4.234 3.940 4.686 . 0 0 "[ . 1 . 2]" 1
1112 1 93 ILE MG 1 104 ARG HD2 . . 4.900 3.313 2.430 4.897 . 0 0 "[ . 1 . 2]" 1
1113 1 93 ILE MG 1 104 ARG QD . . 4.270 3.061 2.175 4.271 0.001 2 0 "[ . 1 . 2]" 1
1114 1 93 ILE MG 1 104 ARG HD3 . . 4.900 3.877 2.404 4.902 0.002 5 0 "[ . 1 . 2]" 1
1115 1 93 ILE MG 1 104 ARG QG . . 3.650 2.275 1.964 3.409 . 0 0 "[ . 1 . 2]" 1
1116 1 93 ILE MG 1 105 ARG H . . 4.940 3.887 3.286 4.675 . 0 0 "[ . 1 . 2]" 1
1117 1 94 ASP H 1 94 ASP HB2 . . 3.630 2.812 2.390 3.633 0.003 20 0 "[ . 1 . 2]" 1
1118 1 94 ASP H 1 94 ASP QB . . 3.010 2.471 2.227 2.744 . 0 0 "[ . 1 . 2]" 1
1119 1 94 ASP H 1 94 ASP HB3 . . 3.630 3.261 2.375 3.632 0.002 5 0 "[ . 1 . 2]" 1
1120 1 94 ASP H 1 95 LEU H . . 4.810 4.393 4.234 4.505 . 0 0 "[ . 1 . 2]" 1
1121 1 94 ASP HA 1 95 LEU H . . 3.010 2.107 1.949 2.181 . 0 0 "[ . 1 . 2]" 1
1122 1 94 ASP QB 1 95 LEU H . . 3.740 3.440 3.274 3.755 0.015 15 0 "[ . 1 . 2]" 1
1123 1 94 ASP HB2 1 95 LEU H . . 4.370 4.132 3.491 4.373 0.003 11 0 "[ . 1 . 2]" 1
1124 1 94 ASP HB3 1 95 LEU H . . 4.370 3.836 3.387 4.372 0.002 16 0 "[ . 1 . 2]" 1
1125 1 95 LEU H 1 95 LEU HB2 . . 3.880 2.407 2.329 2.593 . 0 0 "[ . 1 . 2]" 1
1126 1 95 LEU H 1 95 LEU QB . . 3.290 2.375 2.301 2.548 . 0 0 "[ . 1 . 2]" 1
1127 1 95 LEU H 1 95 LEU HB3 . . 3.880 3.639 3.581 3.745 . 0 0 "[ . 1 . 2]" 1
1128 1 95 LEU H 1 95 LEU QD . . 4.030 2.704 2.485 3.415 . 0 0 "[ . 1 . 2]" 1
1129 1 95 LEU H 1 95 LEU HG . . 5.110 4.228 2.937 4.478 . 0 0 "[ . 1 . 2]" 1
1130 1 95 LEU H 1 96 VAL H . . 4.720 4.484 4.421 4.539 . 0 0 "[ . 1 . 2]" 1
1131 1 95 LEU H 1 96 VAL QG . . 5.440 4.672 4.079 5.404 . 0 0 "[ . 1 . 2]" 1
1132 1 95 LEU HA 1 95 LEU QD . . 3.760 2.048 1.997 2.121 . 0 0 "[ . 1 . 2]" 1
1133 1 95 LEU HA 1 96 VAL H . . 3.400 2.179 2.123 2.238 . 0 0 "[ . 1 . 2]" 1
1134 1 95 LEU HA 1 96 VAL QG . . 3.920 3.308 3.074 3.628 . 0 0 "[ . 1 . 2]" 1
1135 1 95 LEU HA 1 102 LEU QD . . 4.320 4.280 4.106 4.325 0.005 20 0 "[ . 1 . 2]" 1
1136 1 95 LEU HA 1 103 ALA H . . 4.940 4.359 4.150 4.543 . 0 0 "[ . 1 . 2]" 1
1137 1 95 LEU HA 1 103 ALA MB . . 5.500 4.981 4.866 5.065 . 0 0 "[ . 1 . 2]" 1
1138 1 95 LEU HA 1 104 ARG HA . . 3.680 2.562 2.190 2.791 . 0 0 "[ . 1 . 2]" 1
1139 1 95 LEU HA 1 105 ARG H . . 3.580 3.332 2.457 3.582 0.002 5 0 "[ . 1 . 2]" 1
1140 1 95 LEU QB 1 95 LEU QD . . 2.840 2.073 1.997 2.120 . 0 0 "[ . 1 . 2]" 1
1141 1 95 LEU QB 1 96 VAL H . . 3.920 3.001 2.695 3.212 . 0 0 "[ . 1 . 2]" 1
1142 1 95 LEU QB 1 102 LEU QD . . 3.730 2.137 2.007 2.371 . 0 0 "[ . 1 . 2]" 1
1143 1 95 LEU HB2 1 96 VAL H . . 4.520 4.215 3.904 4.369 . 0 0 "[ . 1 . 2]" 1
1144 1 95 LEU HB3 1 96 VAL H . . 4.520 3.072 2.746 3.306 . 0 0 "[ . 1 . 2]" 1
1145 1 95 LEU QD 1 96 VAL QG . . 3.960 3.968 3.964 3.972 0.012 12 0 "[ . 1 . 2]" 1
1146 1 95 LEU QD 1 102 LEU QB . . 4.060 2.048 1.857 2.217 . 0 0 "[ . 1 . 2]" 1
1147 1 95 LEU QD 1 102 LEU QD . . 2.600 2.529 1.922 2.606 0.006 1 0 "[ . 1 . 2]" 1
1148 1 95 LEU QD 1 102 LEU HG . . 4.160 3.969 3.569 4.169 0.009 12 0 "[ . 1 . 2]" 1
1149 1 95 LEU QD 1 103 ALA H . . 4.300 3.440 2.850 3.923 . 0 0 "[ . 1 . 2]" 1
1150 1 95 LEU QD 1 103 ALA HA . . 4.050 3.643 3.336 4.051 0.001 19 0 "[ . 1 . 2]" 1
1151 1 95 LEU QD 1 103 ALA MB . . 4.980 4.193 3.979 4.386 . 0 0 "[ . 1 . 2]" 1
1152 1 95 LEU QD 1 104 ARG H . . 4.010 3.426 3.212 3.617 . 0 0 "[ . 1 . 2]" 1
1153 1 95 LEU QD 1 104 ARG HA . . 3.450 2.282 1.851 2.571 . 0 0 "[ . 1 . 2]" 1
1154 1 95 LEU QD 1 104 ARG QB . . 4.550 3.055 1.916 3.757 . 0 0 "[ . 1 . 2]" 1
1155 1 95 LEU QD 1 104 ARG QD . . 4.330 3.373 2.111 4.012 . 0 0 "[ . 1 . 2]" 1
1156 1 95 LEU QD 1 104 ARG QG . . 5.280 2.787 2.274 3.856 . 0 0 "[ . 1 . 2]" 1
1157 1 95 LEU QD 1 105 ARG H . . 4.370 3.687 2.574 4.261 . 0 0 "[ . 1 . 2]" 1
1158 1 95 LEU MD1 1 104 ARG HA . . 4.540 2.447 2.099 4.237 . 0 0 "[ . 1 . 2]" 1
1159 1 95 LEU MD1 1 105 ARG H . . 5.230 4.201 3.886 5.240 0.010 17 0 "[ . 1 . 2]" 1
1160 1 95 LEU MD2 1 104 ARG HA . . 4.540 3.325 1.853 3.941 . 0 0 "[ . 1 . 2]" 1
1161 1 95 LEU MD2 1 105 ARG H . . 5.230 4.234 2.580 5.170 . 0 0 "[ . 1 . 2]" 1
1162 1 95 LEU HG 1 102 LEU QD . . 3.660 2.745 2.047 3.665 0.005 17 0 "[ . 1 . 2]" 1
1163 1 96 VAL H 1 96 VAL HB . . 3.610 2.786 2.480 3.119 . 0 0 "[ . 1 . 2]" 1
1164 1 96 VAL H 1 96 VAL QG . . 3.440 2.261 2.006 2.519 . 0 0 "[ . 1 . 2]" 1
1165 1 96 VAL H 1 103 ALA H . . 3.490 2.789 2.678 2.871 . 0 0 "[ . 1 . 2]" 1
1166 1 96 VAL H 1 103 ALA HA . . 5.090 4.708 4.591 4.842 . 0 0 "[ . 1 . 2]" 1
1167 1 96 VAL H 1 103 ALA MB . . 4.450 3.702 3.464 3.815 . 0 0 "[ . 1 . 2]" 1
1168 1 96 VAL H 1 105 ARG H . . 4.560 4.206 3.849 4.549 . 0 0 "[ . 1 . 2]" 1
1169 1 96 VAL HA 1 97 PHE H . . 3.050 2.210 2.163 2.296 . 0 0 "[ . 1 . 2]" 1
1170 1 96 VAL HA 1 103 ALA H . . 5.500 4.785 4.621 4.969 . 0 0 "[ . 1 . 2]" 1
1171 1 96 VAL HA 1 103 ALA MB . . 5.500 5.369 4.889 5.502 0.002 16 0 "[ . 1 . 2]" 1
1172 1 96 VAL HB 1 97 PHE H . . 4.430 4.226 4.154 4.341 . 0 0 "[ . 1 . 2]" 1
1173 1 96 VAL HB 1 103 ALA H . . 5.500 4.211 3.138 5.363 . 0 0 "[ . 1 . 2]" 1
1174 1 96 VAL QG 1 97 PHE H . . 3.290 2.651 2.487 2.843 . 0 0 "[ . 1 . 2]" 1
1175 1 96 VAL QG 1 97 PHE HA . . 4.240 3.913 3.701 4.099 . 0 0 "[ . 1 . 2]" 1
1176 1 96 VAL QG 1 97 PHE HB3 . . 5.440 4.333 4.099 4.477 . 0 0 "[ . 1 . 2]" 1
1177 1 96 VAL QG 1 98 ALA H . . 4.410 4.239 3.966 4.412 0.002 19 0 "[ . 1 . 2]" 1
1178 1 96 VAL QG 1 105 ARG H . . 4.260 3.344 2.808 3.764 . 0 0 "[ . 1 . 2]" 1
1179 1 96 VAL QG 1 105 ARG HA . . 3.840 3.246 2.265 3.841 0.001 11 0 "[ . 1 . 2]" 1
1180 1 96 VAL QG 1 105 ARG QB . . 4.010 2.424 1.956 4.011 0.001 16 0 "[ . 1 . 2]" 1
1181 1 96 VAL QG 1 105 ARG QD . . 3.620 2.949 2.222 3.626 0.006 12 0 "[ . 1 . 2]" 1
1182 1 96 VAL MG1 1 105 ARG HD2 . . 6.010 4.630 2.625 6.015 0.005 6 0 "[ . 1 . 2]" 1
1183 1 96 VAL MG1 1 105 ARG HD3 . . 6.010 4.615 2.567 6.011 0.001 19 0 "[ . 1 . 2]" 1
1184 1 96 VAL MG2 1 105 ARG HD2 . . 6.010 3.914 2.481 5.370 . 0 0 "[ . 1 . 2]" 1
1185 1 96 VAL MG2 1 105 ARG HD3 . . 6.010 3.806 2.746 5.461 . 0 0 "[ . 1 . 2]" 1
1186 1 97 PHE H 1 97 PHE HB2 . . 3.430 2.708 2.634 2.776 . 0 0 "[ . 1 . 2]" 1
1187 1 97 PHE H 1 97 PHE HB3 . . 3.320 2.458 2.374 2.513 . 0 0 "[ . 1 . 2]" 1
1188 1 97 PHE H 1 97 PHE HD2 . . 4.690 4.601 4.515 4.690 0.000 11 0 "[ . 1 . 2]" 1
1189 1 97 PHE H 1 98 ALA H . . 4.660 4.478 4.403 4.532 . 0 0 "[ . 1 . 2]" 1
1190 1 97 PHE H 1 103 ALA H . . 5.490 5.111 4.931 5.280 . 0 0 "[ . 1 . 2]" 1
1191 1 97 PHE HA 1 97 PHE HD1 . . 3.840 2.846 2.495 3.018 . 0 0 "[ . 1 . 2]" 1
1192 1 97 PHE HA 1 98 ALA H . . 2.790 2.215 2.191 2.249 . 0 0 "[ . 1 . 2]" 1
1193 1 97 PHE HA 1 98 ALA MB . . 4.550 4.133 4.074 4.225 . 0 0 "[ . 1 . 2]" 1
1194 1 97 PHE HA 1 102 LEU QD . . 3.710 2.941 2.153 3.711 0.001 9 0 "[ . 1 . 2]" 1
1195 1 97 PHE HB2 1 98 ALA H . . 4.480 4.477 4.452 4.483 0.003 13 0 "[ . 1 . 2]" 1
1196 1 97 PHE HB2 1 102 LEU QD . . 3.710 3.096 2.366 3.712 0.002 4 0 "[ . 1 . 2]" 1
1197 1 97 PHE HB3 1 97 PHE HD2 . . 3.690 2.385 2.270 2.436 . 0 0 "[ . 1 . 2]" 1
1198 1 97 PHE HB3 1 98 ALA H . . 4.510 4.406 4.329 4.463 . 0 0 "[ . 1 . 2]" 1
1199 1 97 PHE HB3 1 102 LEU QD . . 5.440 4.374 3.685 4.934 . 0 0 "[ . 1 . 2]" 1
1200 1 97 PHE HD1 1 98 ALA H . . 5.020 4.186 3.689 4.456 . 0 0 "[ . 1 . 2]" 1
1201 1 97 PHE HD1 1 102 LEU QD . . 3.600 2.104 1.949 2.338 . 0 0 "[ . 1 . 2]" 1
1202 1 97 PHE HD2 1 98 ALA H . . 5.430 4.525 4.316 5.099 . 0 0 "[ . 1 . 2]" 1
1203 1 97 PHE HE1 1 100 GLY QA . . 4.470 2.912 2.348 3.358 . 0 0 "[ . 1 . 2]" 1
1204 1 97 PHE HZ 1 100 GLY QA . . 4.350 2.460 2.356 2.680 . 0 0 "[ . 1 . 2]" 1
1205 1 98 ALA H 1 98 ALA MB . . 3.410 2.641 2.549 2.776 . 0 0 "[ . 1 . 2]" 1
1206 1 98 ALA H 1 99 ASP H . . 4.970 4.161 3.984 4.279 . 0 0 "[ . 1 . 2]" 1
1207 1 98 ALA H 1 100 GLY H . . 4.570 4.139 3.947 4.261 . 0 0 "[ . 1 . 2]" 1
1208 1 98 ALA H 1 101 THR H . . 3.540 3.193 3.083 3.281 . 0 0 "[ . 1 . 2]" 1
1209 1 98 ALA H 1 101 THR HB . . 4.650 3.972 3.731 4.655 0.005 5 0 "[ . 1 . 2]" 1
1210 1 98 ALA H 1 102 LEU QD . . 4.690 4.074 3.700 4.565 . 0 0 "[ . 1 . 2]" 1
1211 1 98 ALA HA 1 99 ASP H . . 2.830 2.164 2.079 2.194 . 0 0 "[ . 1 . 2]" 1
1212 1 98 ALA HA 1 99 ASP HA . . 4.470 4.311 4.252 4.337 . 0 0 "[ . 1 . 2]" 1
1213 1 98 ALA HA 1 100 GLY H . . 4.390 4.161 3.835 4.390 0.000 3 0 "[ . 1 . 2]" 1
1214 1 98 ALA MB 1 99 ASP H . . 3.390 3.225 2.860 3.395 0.005 3 0 "[ . 1 . 2]" 1
1215 1 98 ALA MB 1 99 ASP QB . . 4.330 3.402 3.217 3.551 . 0 0 "[ . 1 . 2]" 1
1216 1 99 ASP H 1 99 ASP HA . . 2.760 2.201 2.179 2.233 . 0 0 "[ . 1 . 2]" 1
1217 1 99 ASP H 1 99 ASP HB2 . . 4.130 3.114 2.802 3.566 . 0 0 "[ . 1 . 2]" 1
1218 1 99 ASP H 1 99 ASP QB . . 3.530 2.968 2.703 3.343 . 0 0 "[ . 1 . 2]" 1
1219 1 99 ASP H 1 99 ASP HB3 . . 4.130 3.757 3.549 4.041 . 0 0 "[ . 1 . 2]" 1
1220 1 99 ASP H 1 100 GLY H . . 3.520 3.043 2.912 3.123 . 0 0 "[ . 1 . 2]" 1
1221 1 99 ASP H 1 100 GLY QA . . 5.160 4.846 4.748 4.911 . 0 0 "[ . 1 . 2]" 1
1222 1 99 ASP HA 1 101 THR H . . 4.500 4.381 4.352 4.445 . 0 0 "[ . 1 . 2]" 1
1223 1 100 GLY H 1 101 THR H . . 3.370 2.680 2.561 2.746 . 0 0 "[ . 1 . 2]" 1
1224 1 101 THR H 1 101 THR HB . . 3.720 2.639 2.532 3.722 0.002 5 0 "[ . 1 . 2]" 1
1225 1 101 THR H 1 101 THR MG . . 4.080 3.827 2.694 3.920 . 0 0 "[ . 1 . 2]" 1
1226 1 101 THR H 1 102 LEU QD . . 4.720 4.374 4.007 4.720 . 0 0 "[ . 1 . 2]" 1
1227 1 101 THR HA 1 102 LEU H . . 3.110 2.206 2.156 2.319 . 0 0 "[ . 1 . 2]" 1
1228 1 101 THR HA 1 102 LEU QD . . 4.110 3.473 3.182 4.114 0.004 17 0 "[ . 1 . 2]" 1
1229 1 101 THR HB 1 102 LEU H . . 4.030 3.954 2.461 4.034 0.004 9 0 "[ . 1 . 2]" 1
1230 1 101 THR MG 1 102 LEU H . . 3.650 2.516 2.415 3.652 0.002 5 0 "[ . 1 . 2]" 1
1231 1 102 LEU H 1 102 LEU QB . . 3.170 2.491 2.337 2.698 . 0 0 "[ . 1 . 2]" 1
1232 1 102 LEU H 1 102 LEU QD . . 3.450 2.768 2.456 3.285 . 0 0 "[ . 1 . 2]" 1
1233 1 102 LEU H 1 102 LEU HG . . 4.340 3.754 2.655 4.273 . 0 0 "[ . 1 . 2]" 1
1234 1 102 LEU HA 1 102 LEU MD1 . . 4.030 3.012 2.202 3.934 . 0 0 "[ . 1 . 2]" 1
1235 1 102 LEU HA 1 102 LEU QD . . 3.420 2.482 2.100 3.072 . 0 0 "[ . 1 . 2]" 1
1236 1 102 LEU HA 1 102 LEU MD2 . . 4.030 3.005 2.109 3.739 . 0 0 "[ . 1 . 2]" 1
1237 1 102 LEU HA 1 103 ALA H . . 2.880 2.199 2.157 2.229 . 0 0 "[ . 1 . 2]" 1
1238 1 102 LEU QD 1 103 ALA H . . 4.170 3.758 3.326 4.172 0.002 18 0 "[ . 1 . 2]" 1
1239 1 103 ALA H 1 103 ALA MB . . 3.280 2.492 2.403 2.570 . 0 0 "[ . 1 . 2]" 1
1240 1 103 ALA H 1 104 ARG H . . 4.510 4.469 4.412 4.512 0.002 17 0 "[ . 1 . 2]" 1
1241 1 103 ALA HA 1 104 ARG H . . 2.970 2.370 2.260 2.457 . 0 0 "[ . 1 . 2]" 1
1242 1 103 ALA HA 1 104 ARG HA . . 4.550 4.416 4.297 4.450 . 0 0 "[ . 1 . 2]" 1
1243 1 103 ALA MB 1 104 ARG H . . 3.280 2.884 2.680 3.099 . 0 0 "[ . 1 . 2]" 1
1244 1 103 ALA MB 1 104 ARG QB . . 4.890 4.385 4.124 4.864 . 0 0 "[ . 1 . 2]" 1
1245 1 103 ALA MB 1 105 ARG H . . 5.470 5.093 4.870 5.206 . 0 0 "[ . 1 . 2]" 1
1246 1 104 ARG H 1 104 ARG HB2 . . 3.820 2.682 2.343 3.778 . 0 0 "[ . 1 . 2]" 1
1247 1 104 ARG H 1 104 ARG QB . . 3.240 2.349 2.126 2.887 . 0 0 "[ . 1 . 2]" 1
1248 1 104 ARG H 1 104 ARG HB3 . . 3.820 2.972 2.270 3.642 . 0 0 "[ . 1 . 2]" 1
1249 1 104 ARG H 1 104 ARG HD2 . . 5.410 4.424 1.851 5.080 . 0 0 "[ . 1 . 2]" 1
1250 1 104 ARG H 1 104 ARG QD . . 4.740 3.574 1.845 4.507 . 0 0 "[ . 1 . 2]" 1
1251 1 104 ARG H 1 104 ARG HD3 . . 5.410 3.970 1.944 5.091 . 0 0 "[ . 1 . 2]" 1
1252 1 104 ARG H 1 104 ARG QG . . 3.850 3.357 2.309 3.858 0.008 17 0 "[ . 1 . 2]" 1
1253 1 104 ARG HA 1 104 ARG HD2 . . 5.360 4.441 4.087 4.879 . 0 0 "[ . 1 . 2]" 1
1254 1 104 ARG HA 1 104 ARG QD . . 4.670 3.842 3.036 4.290 . 0 0 "[ . 1 . 2]" 1
1255 1 104 ARG HA 1 104 ARG HD3 . . 5.360 4.371 3.096 5.275 . 0 0 "[ . 1 . 2]" 1
1256 1 104 ARG HA 1 104 ARG QG . . 3.410 2.597 2.370 3.422 0.012 5 0 "[ . 1 . 2]" 1
1257 1 104 ARG HA 1 105 ARG H . . 2.750 2.253 2.153 2.361 . 0 0 "[ . 1 . 2]" 1
1258 1 104 ARG HA 1 105 ARG QB . . 4.320 4.022 3.872 4.160 . 0 0 "[ . 1 . 2]" 1
1259 1 104 ARG QG 1 105 ARG H . . 5.070 3.529 2.710 4.150 . 0 0 "[ . 1 . 2]" 1
1260 1 105 ARG H 1 105 ARG HB2 . . 3.260 2.580 1.975 2.908 . 0 0 "[ . 1 . 2]" 1
1261 1 105 ARG H 1 105 ARG QB . . 2.800 2.225 1.959 2.352 . 0 0 "[ . 1 . 2]" 1
1262 1 105 ARG H 1 105 ARG HB3 . . 3.260 2.501 2.358 3.274 0.014 16 0 "[ . 1 . 2]" 1
1263 1 105 ARG H 1 105 ARG QD . . 4.640 4.458 3.819 4.643 0.003 6 0 "[ . 1 . 2]" 1
1264 1 105 ARG HA 1 105 ARG QD . . 4.250 3.219 2.215 4.102 . 0 0 "[ . 1 . 2]" 1
1265 1 105 ARG HA 1 106 GLU H . . 2.700 2.232 2.191 2.311 . 0 0 "[ . 1 . 2]" 1
1266 1 105 ARG QB 1 105 ARG QD . . 3.170 2.384 2.147 2.830 . 0 0 "[ . 1 . 2]" 1
1267 1 106 GLU H 1 106 GLU HB2 . . 3.690 3.170 2.459 3.698 0.008 6 0 "[ . 1 . 2]" 1
1268 1 106 GLU H 1 106 GLU QB . . 2.960 2.638 2.423 2.964 0.004 20 0 "[ . 1 . 2]" 1
1269 1 106 GLU H 1 106 GLU HB3 . . 3.690 3.094 2.646 3.696 0.006 3 0 "[ . 1 . 2]" 1
1270 1 106 GLU H 1 106 GLU HG2 . . 5.250 3.598 2.145 5.115 . 0 0 "[ . 1 . 2]" 1
1271 1 106 GLU H 1 106 GLU QG . . 4.520 3.135 2.117 4.285 . 0 0 "[ . 1 . 2]" 1
1272 1 106 GLU H 1 106 GLU HG3 . . 5.250 3.763 2.602 4.839 . 0 0 "[ . 1 . 2]" 1
1273 1 106 GLU HA 1 107 GLU H . . 2.710 2.275 2.173 2.403 . 0 0 "[ . 1 . 2]" 1
1274 1 106 GLU QB 1 107 GLU H . . 3.680 3.181 2.801 3.685 0.005 19 0 "[ . 1 . 2]" 1
1275 1 106 GLU QB 1 108 ASN H . . 3.850 3.506 2.515 3.854 0.004 20 0 "[ . 1 . 2]" 1
1276 1 106 GLU QB 1 108 ASN QB . . 3.860 3.268 2.477 3.792 . 0 0 "[ . 1 . 2]" 1
1277 1 106 GLU QG 1 107 GLU H . . 5.070 3.652 2.536 4.583 . 0 0 "[ . 1 . 2]" 1
1278 1 107 GLU H 1 107 GLU HB2 . . 4.030 2.869 2.384 3.649 . 0 0 "[ . 1 . 2]" 1
1279 1 107 GLU H 1 107 GLU HB3 . . 4.030 2.904 2.416 3.732 . 0 0 "[ . 1 . 2]" 1
1280 1 107 GLU H 1 107 GLU HG2 . . 5.500 3.876 2.171 4.934 . 0 0 "[ . 1 . 2]" 1
1281 1 107 GLU H 1 107 GLU HG3 . . 5.500 3.943 2.609 4.770 . 0 0 "[ . 1 . 2]" 1
1282 1 107 GLU H 1 108 ASN HA . . 4.670 4.660 4.541 4.676 0.006 17 0 "[ . 1 . 2]" 1
1283 1 107 GLU HA 1 108 ASN H . . 3.170 2.551 2.181 3.183 0.013 8 0 "[ . 1 . 2]" 1
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