NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463852 |
2yrl   |
11231 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yrl
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 1948
_Distance_constraint_stats_list.Viol_count 306
_Distance_constraint_stats_list.Viol_total 41.832
_Distance_constraint_stats_list.Viol_max 0.091
_Distance_constraint_stats_list.Viol_rms 0.0011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0068
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 0.013 0.007 2 0 "[ . 1 . 2]"
1 9 ALA 0.011 0.007 2 0 "[ . 1 . 2]"
1 10 ASP 0.003 0.003 15 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.011 0.004 7 0 "[ . 1 . 2]"
1 13 PRO 0.011 0.004 7 0 "[ . 1 . 2]"
1 14 ASP 0.006 0.004 15 0 "[ . 1 . 2]"
1 15 LYS 0.011 0.004 15 0 "[ . 1 . 2]"
1 16 GLU 0.018 0.007 16 0 "[ . 1 . 2]"
1 17 LEU 0.003 0.002 13 0 "[ . 1 . 2]"
1 18 THR 0.051 0.036 14 0 "[ . 1 . 2]"
1 19 LEU 0.045 0.011 5 0 "[ . 1 . 2]"
1 20 PRO 0.006 0.006 14 0 "[ . 1 . 2]"
1 21 VAL 0.003 0.001 12 0 "[ . 1 . 2]"
1 22 ASP 0.010 0.009 16 0 "[ . 1 . 2]"
1 23 SER 0.003 0.001 12 0 "[ . 1 . 2]"
1 24 THR 0.004 0.002 11 0 "[ . 1 . 2]"
1 25 THR 0.004 0.002 16 0 "[ . 1 . 2]"
1 26 LEU 0.001 0.001 6 0 "[ . 1 . 2]"
1 27 ASP 0.008 0.004 15 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 SER 0.001 0.001 9 0 "[ . 1 . 2]"
1 30 LYS 0.044 0.016 16 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.023 0.023 14 0 "[ . 1 . 2]"
1 34 ASP 0.023 0.023 14 0 "[ . 1 . 2]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LYS 0.036 0.024 3 0 "[ . 1 . 2]"
1 37 ILE 0.005 0.002 5 0 "[ . 1 . 2]"
1 38 ILE 0.064 0.014 12 0 "[ . 1 . 2]"
1 39 SER 0.045 0.020 5 0 "[ . 1 . 2]"
1 40 TYR 0.013 0.006 12 0 "[ . 1 . 2]"
1 41 LEU 0.005 0.003 15 0 "[ . 1 . 2]"
1 42 TRP 0.009 0.006 15 0 "[ . 1 . 2]"
1 43 GLU 0.003 0.001 20 0 "[ . 1 . 2]"
1 44 LYS 0.003 0.002 9 0 "[ . 1 . 2]"
1 45 THR 0.000 0.000 3 0 "[ . 1 . 2]"
1 46 GLN 0.261 0.028 5 0 "[ . 1 . 2]"
1 47 GLY 0.633 0.049 10 0 "[ . 1 . 2]"
1 48 PRO 0.378 0.049 10 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.007 0.003 5 0 "[ . 1 . 2]"
1 52 GLN 0.030 0.009 18 0 "[ . 1 . 2]"
1 53 LEU 0.279 0.027 11 0 "[ . 1 . 2]"
1 54 GLU 0.235 0.031 12 0 "[ . 1 . 2]"
1 55 ASN 0.024 0.004 16 0 "[ . 1 . 2]"
1 56 ALA 0.003 0.002 16 0 "[ . 1 . 2]"
1 57 ASN 0.001 0.001 4 0 "[ . 1 . 2]"
1 58 SER 0.001 0.001 6 0 "[ . 1 . 2]"
1 59 SER 0.003 0.003 7 0 "[ . 1 . 2]"
1 60 VAL 0.041 0.020 3 0 "[ . 1 . 2]"
1 61 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 THR 0.031 0.004 19 0 "[ . 1 . 2]"
1 63 VAL 0.115 0.013 9 0 "[ . 1 . 2]"
1 64 THR 0.026 0.011 11 0 "[ . 1 . 2]"
1 65 GLY 0.016 0.005 10 0 "[ . 1 . 2]"
1 66 LEU 0.001 0.001 13 0 "[ . 1 . 2]"
1 67 GLN 0.011 0.007 9 0 "[ . 1 . 2]"
1 68 VAL 0.091 0.076 20 0 "[ . 1 . 2]"
1 69 GLY 0.081 0.076 20 0 "[ . 1 . 2]"
1 70 THR 0.005 0.004 20 0 "[ . 1 . 2]"
1 71 TYR 0.013 0.003 5 0 "[ . 1 . 2]"
1 72 VAL 0.014 0.004 13 0 "[ . 1 . 2]"
1 73 PHE 0.005 0.004 13 0 "[ . 1 . 2]"
1 74 THR 0.002 0.002 17 0 "[ . 1 . 2]"
1 75 LEU 0.101 0.091 15 0 "[ . 1 . 2]"
1 76 THR 0.008 0.004 13 0 "[ . 1 . 2]"
1 77 VAL 0.011 0.006 12 0 "[ . 1 . 2]"
1 78 LYS 0.078 0.020 5 0 "[ . 1 . 2]"
1 79 ASP 0.017 0.011 12 0 "[ . 1 . 2]"
1 80 GLU 0.009 0.008 12 0 "[ . 1 . 2]"
1 81 ARG 0.003 0.001 13 0 "[ . 1 . 2]"
1 82 ASN 0.020 0.006 13 0 "[ . 1 . 2]"
1 83 LEU 0.122 0.063 13 0 "[ . 1 . 2]"
1 84 GLN 0.075 0.027 17 0 "[ . 1 . 2]"
1 85 SER 0.016 0.007 13 0 "[ . 1 . 2]"
1 86 GLN 0.007 0.004 13 0 "[ . 1 . 2]"
1 87 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 SER 0.007 0.004 7 0 "[ . 1 . 2]"
1 89 VAL 0.001 0.001 8 0 "[ . 1 . 2]"
1 90 ASN 0.005 0.002 14 0 "[ . 1 . 2]"
1 91 VAL 0.001 0.001 5 0 "[ . 1 . 2]"
1 92 ILE 0.013 0.004 14 0 "[ . 1 . 2]"
1 93 VAL 0.004 0.001 15 0 "[ . 1 . 2]"
1 94 LYS 0.066 0.021 14 0 "[ . 1 . 2]"
1 95 GLU 0.113 0.029 14 0 "[ . 1 . 2]"
1 96 GLU 0.126 0.036 14 0 "[ . 1 . 2]"
1 97 SER 0.013 0.013 6 0 "[ . 1 . 2]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 SER QB 1 7 GLY H . . 4.340 3.081 2.118 4.021 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 GLN H . . 3.050 2.326 2.111 2.777 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 8 GLN HA . . 4.580 4.008 3.936 4.175 . 0 0 "[ . 1 . 2]" 1
4 1 8 GLN H 1 8 GLN HB2 . . 3.840 2.627 2.186 3.805 . 0 0 "[ . 1 . 2]" 1
5 1 8 GLN H 1 8 GLN QB . . 3.230 2.483 2.129 3.160 . 0 0 "[ . 1 . 2]" 1
6 1 8 GLN H 1 8 GLN HB3 . . 3.840 3.433 2.786 3.808 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLN H 1 8 GLN HG2 . . 4.590 3.892 2.015 4.592 0.002 1 0 "[ . 1 . 2]" 1
8 1 8 GLN H 1 8 GLN HG3 . . 4.590 3.407 2.037 4.563 . 0 0 "[ . 1 . 2]" 1
9 1 8 GLN HA 1 8 GLN HG2 . . 4.200 3.208 2.330 4.194 . 0 0 "[ . 1 . 2]" 1
10 1 8 GLN HA 1 8 GLN QG . . 3.630 2.588 2.232 3.392 . 0 0 "[ . 1 . 2]" 1
11 1 8 GLN HA 1 8 GLN HG3 . . 4.200 2.957 2.293 3.897 . 0 0 "[ . 1 . 2]" 1
12 1 8 GLN HA 1 9 ALA MB . . 4.850 4.458 4.050 4.857 0.007 2 0 "[ . 1 . 2]" 1
13 1 8 GLN HA 1 77 VAL QG . . 5.440 4.993 3.796 5.428 . 0 0 "[ . 1 . 2]" 1
14 1 8 GLN HA 1 85 SER QB . . 4.710 3.990 2.090 4.707 . 0 0 "[ . 1 . 2]" 1
15 1 8 GLN QB 1 77 VAL QG . . 4.490 4.104 3.300 4.490 0.000 6 0 "[ . 1 . 2]" 1
16 1 8 GLN HB2 1 9 ALA H . . 4.580 3.371 2.023 4.584 0.004 19 0 "[ . 1 . 2]" 1
17 1 8 GLN HB2 1 85 SER QB . . 4.800 3.124 2.118 4.542 . 0 0 "[ . 1 . 2]" 1
18 1 8 GLN HB3 1 9 ALA H . . 4.580 3.529 2.021 4.421 . 0 0 "[ . 1 . 2]" 1
19 1 8 GLN HB3 1 85 SER QB . . 4.800 3.190 1.990 4.660 . 0 0 "[ . 1 . 2]" 1
20 1 9 ALA H 1 9 ALA MB . . 3.440 2.492 2.044 2.819 . 0 0 "[ . 1 . 2]" 1
21 1 9 ALA H 1 77 VAL QG . . 4.880 4.207 2.861 4.863 . 0 0 "[ . 1 . 2]" 1
22 1 9 ALA H 1 85 SER QB . . 4.290 3.385 2.476 4.285 . 0 0 "[ . 1 . 2]" 1
23 1 9 ALA HA 1 10 ASP H . . 3.040 2.228 2.141 2.799 . 0 0 "[ . 1 . 2]" 1
24 1 9 ALA HA 1 75 LEU QD . . 4.340 3.812 2.698 4.331 . 0 0 "[ . 1 . 2]" 1
25 1 9 ALA HA 1 77 VAL QG . . 3.510 2.832 1.943 3.435 . 0 0 "[ . 1 . 2]" 1
26 1 9 ALA MB 1 10 ASP H . . 4.050 3.035 2.486 3.684 . 0 0 "[ . 1 . 2]" 1
27 1 9 ALA MB 1 11 ALA H . . 4.880 4.143 3.379 4.772 . 0 0 "[ . 1 . 2]" 1
28 1 9 ALA MB 1 75 LEU QD . . 3.450 2.753 1.753 3.447 . 0 0 "[ . 1 . 2]" 1
29 1 9 ALA MB 1 76 THR HA . . 4.820 4.003 2.582 4.474 . 0 0 "[ . 1 . 2]" 1
30 1 9 ALA MB 1 77 VAL H . . 4.230 3.394 2.420 3.973 . 0 0 "[ . 1 . 2]" 1
31 1 9 ALA MB 1 77 VAL QG . . 3.100 2.057 1.734 2.441 . 0 0 "[ . 1 . 2]" 1
32 1 9 ALA MB 1 85 SER QB . . 3.960 2.597 1.879 3.449 . 0 0 "[ . 1 . 2]" 1
33 1 9 ALA MB 1 86 GLN H . . 3.910 3.365 2.354 3.899 . 0 0 "[ . 1 . 2]" 1
34 1 9 ALA MB 1 86 GLN HA . . 3.810 2.946 2.040 3.741 . 0 0 "[ . 1 . 2]" 1
35 1 9 ALA MB 1 87 SER H . . 3.950 3.178 2.386 3.826 . 0 0 "[ . 1 . 2]" 1
36 1 9 ALA MB 1 87 SER HB2 . . 3.670 2.447 1.970 3.573 . 0 0 "[ . 1 . 2]" 1
37 1 9 ALA MB 1 87 SER QB . . 3.210 2.122 1.890 2.686 . 0 0 "[ . 1 . 2]" 1
38 1 9 ALA MB 1 87 SER HB3 . . 3.670 2.822 2.022 3.656 . 0 0 "[ . 1 . 2]" 1
39 1 10 ASP H 1 10 ASP HB2 . . 4.120 2.804 2.415 3.131 . 0 0 "[ . 1 . 2]" 1
40 1 10 ASP H 1 10 ASP QB . . 3.580 2.525 2.350 2.758 . 0 0 "[ . 1 . 2]" 1
41 1 10 ASP H 1 10 ASP HB3 . . 4.120 3.079 2.489 3.810 . 0 0 "[ . 1 . 2]" 1
42 1 10 ASP H 1 31 SER HA . . 4.230 2.776 1.944 4.195 . 0 0 "[ . 1 . 2]" 1
43 1 10 ASP H 1 31 SER QB . . 4.920 3.110 1.799 4.433 . 0 0 "[ . 1 . 2]" 1
44 1 10 ASP H 1 75 LEU QD . . 4.110 3.226 2.493 4.113 0.003 15 0 "[ . 1 . 2]" 1
45 1 10 ASP H 1 77 VAL MG1 . . 5.500 4.627 3.978 5.229 . 0 0 "[ . 1 . 2]" 1
46 1 10 ASP H 1 77 VAL QG . . 4.790 3.905 3.342 4.353 . 0 0 "[ . 1 . 2]" 1
47 1 10 ASP H 1 77 VAL MG2 . . 5.500 4.247 3.439 4.780 . 0 0 "[ . 1 . 2]" 1
48 1 10 ASP HA 1 11 ALA H . . 2.850 2.230 2.141 2.464 . 0 0 "[ . 1 . 2]" 1
49 1 10 ASP HA 1 11 ALA MB . . 4.360 4.037 3.903 4.118 . 0 0 "[ . 1 . 2]" 1
50 1 10 ASP HA 1 12 GLY H . . 4.030 3.557 3.297 3.849 . 0 0 "[ . 1 . 2]" 1
51 1 10 ASP HA 1 87 SER HB2 . . 4.340 3.848 3.260 4.270 . 0 0 "[ . 1 . 2]" 1
52 1 10 ASP HA 1 87 SER QB . . 3.810 3.396 2.982 3.642 . 0 0 "[ . 1 . 2]" 1
53 1 10 ASP HA 1 87 SER HB3 . . 4.340 3.807 3.453 4.290 . 0 0 "[ . 1 . 2]" 1
54 1 10 ASP QB 1 11 ALA H . . 4.180 3.859 3.541 4.055 . 0 0 "[ . 1 . 2]" 1
55 1 10 ASP QB 1 12 GLY H . . 4.570 3.631 2.667 4.455 . 0 0 "[ . 1 . 2]" 1
56 1 10 ASP QB 1 30 LYS QB . . 3.710 3.397 2.400 3.711 0.001 16 0 "[ . 1 . 2]" 1
57 1 10 ASP QB 1 31 SER H . . 4.580 4.080 2.999 4.578 . 0 0 "[ . 1 . 2]" 1
58 1 10 ASP QB 1 31 SER HA . . 3.590 2.390 1.957 3.103 . 0 0 "[ . 1 . 2]" 1
59 1 10 ASP QB 1 31 SER QB . . 5.180 3.709 2.013 4.659 . 0 0 "[ . 1 . 2]" 1
60 1 10 ASP HB2 1 11 ALA H . . 4.850 4.505 4.268 4.630 . 0 0 "[ . 1 . 2]" 1
61 1 10 ASP HB2 1 12 GLY H . . 5.240 4.757 4.190 5.100 . 0 0 "[ . 1 . 2]" 1
62 1 10 ASP HB2 1 30 LYS HB2 . . 5.300 4.645 3.296 5.277 . 0 0 "[ . 1 . 2]" 1
63 1 10 ASP HB2 1 30 LYS HB3 . . 5.300 4.698 3.268 5.210 . 0 0 "[ . 1 . 2]" 1
64 1 10 ASP HB2 1 31 SER HA . . 4.240 2.675 2.000 3.491 . 0 0 "[ . 1 . 2]" 1
65 1 10 ASP HB3 1 11 ALA H . . 4.850 4.207 3.742 4.492 . 0 0 "[ . 1 . 2]" 1
66 1 10 ASP HB3 1 12 GLY H . . 5.240 3.798 2.698 4.914 . 0 0 "[ . 1 . 2]" 1
67 1 10 ASP HB3 1 30 LYS HB2 . . 5.300 4.040 2.490 4.896 . 0 0 "[ . 1 . 2]" 1
68 1 10 ASP HB3 1 30 LYS HB3 . . 5.300 4.410 3.539 5.267 . 0 0 "[ . 1 . 2]" 1
69 1 10 ASP HB3 1 31 SER HA . . 4.240 3.173 2.055 4.209 . 0 0 "[ . 1 . 2]" 1
70 1 11 ALA H 1 11 ALA MB . . 2.980 2.209 2.048 2.347 . 0 0 "[ . 1 . 2]" 1
71 1 11 ALA H 1 12 GLY H . . 3.360 2.805 2.401 3.174 . 0 0 "[ . 1 . 2]" 1
72 1 11 ALA H 1 75 LEU QB . . 5.220 4.376 3.614 4.978 . 0 0 "[ . 1 . 2]" 1
73 1 11 ALA H 1 75 LEU QD . . 4.960 3.725 2.979 4.318 . 0 0 "[ . 1 . 2]" 1
74 1 11 ALA H 1 87 SER HB2 . . 4.080 3.334 2.027 4.060 . 0 0 "[ . 1 . 2]" 1
75 1 11 ALA H 1 87 SER QB . . 3.400 2.570 1.880 3.314 . 0 0 "[ . 1 . 2]" 1
76 1 11 ALA H 1 87 SER HB3 . . 4.080 2.847 1.906 4.010 . 0 0 "[ . 1 . 2]" 1
77 1 11 ALA HA 1 28 GLY HA2 . . 4.390 3.751 3.008 4.210 . 0 0 "[ . 1 . 2]" 1
78 1 11 ALA HA 1 28 GLY QA . . 3.670 3.374 2.877 3.664 . 0 0 "[ . 1 . 2]" 1
79 1 11 ALA HA 1 28 GLY HA3 . . 4.390 3.879 3.154 4.139 . 0 0 "[ . 1 . 2]" 1
80 1 11 ALA HA 1 42 TRP HH2 . . 3.380 2.557 2.055 3.231 . 0 0 "[ . 1 . 2]" 1
81 1 11 ALA HA 1 42 TRP HZ2 . . 4.580 3.608 3.068 4.208 . 0 0 "[ . 1 . 2]" 1
82 1 11 ALA HA 1 42 TRP HZ3 . . 5.250 4.480 3.977 5.100 . 0 0 "[ . 1 . 2]" 1
83 1 11 ALA HA 1 75 LEU QB . . 4.560 3.322 2.979 3.610 . 0 0 "[ . 1 . 2]" 1
84 1 11 ALA HA 1 75 LEU QD . . 3.500 2.393 2.064 2.887 . 0 0 "[ . 1 . 2]" 1
85 1 11 ALA HA 1 89 VAL QG . . 4.890 4.381 4.046 4.700 . 0 0 "[ . 1 . 2]" 1
86 1 11 ALA MB 1 12 GLY H . . 3.870 3.221 2.481 3.690 . 0 0 "[ . 1 . 2]" 1
87 1 11 ALA MB 1 42 TRP HE3 . . 5.390 4.870 4.476 5.330 . 0 0 "[ . 1 . 2]" 1
88 1 11 ALA MB 1 42 TRP HH2 . . 3.350 2.531 2.133 2.906 . 0 0 "[ . 1 . 2]" 1
89 1 11 ALA MB 1 42 TRP HZ2 . . 4.860 4.267 3.830 4.687 . 0 0 "[ . 1 . 2]" 1
90 1 11 ALA MB 1 42 TRP HZ3 . . 3.430 3.010 2.556 3.321 . 0 0 "[ . 1 . 2]" 1
91 1 11 ALA MB 1 74 THR HA . . 4.730 4.106 3.855 4.351 . 0 0 "[ . 1 . 2]" 1
92 1 11 ALA MB 1 75 LEU H . . 4.170 3.257 2.912 3.651 . 0 0 "[ . 1 . 2]" 1
93 1 11 ALA MB 1 75 LEU HB2 . . 3.870 3.232 2.482 3.850 . 0 0 "[ . 1 . 2]" 1
94 1 11 ALA MB 1 75 LEU QB . . 3.190 2.410 2.013 2.803 . 0 0 "[ . 1 . 2]" 1
95 1 11 ALA MB 1 75 LEU HB3 . . 3.870 2.498 2.089 2.951 . 0 0 "[ . 1 . 2]" 1
96 1 11 ALA MB 1 75 LEU MD1 . . 5.000 4.406 3.598 4.848 . 0 0 "[ . 1 . 2]" 1
97 1 11 ALA MB 1 75 LEU QD . . 3.710 2.861 2.401 3.324 . 0 0 "[ . 1 . 2]" 1
98 1 11 ALA MB 1 75 LEU MD2 . . 5.000 2.908 2.427 3.386 . 0 0 "[ . 1 . 2]" 1
99 1 11 ALA MB 1 87 SER H . . 4.550 4.101 3.488 4.542 . 0 0 "[ . 1 . 2]" 1
100 1 11 ALA MB 1 87 SER HA . . 4.560 4.221 3.904 4.529 . 0 0 "[ . 1 . 2]" 1
101 1 11 ALA MB 1 87 SER HB2 . . 4.100 3.452 2.189 4.077 . 0 0 "[ . 1 . 2]" 1
102 1 11 ALA MB 1 87 SER QB . . 3.350 2.382 1.911 2.999 . 0 0 "[ . 1 . 2]" 1
103 1 11 ALA MB 1 87 SER HB3 . . 4.100 2.650 1.921 3.775 . 0 0 "[ . 1 . 2]" 1
104 1 11 ALA MB 1 88 SER H . . 4.300 4.104 3.820 4.265 . 0 0 "[ . 1 . 2]" 1
105 1 11 ALA MB 1 88 SER HA . . 3.970 3.523 3.272 3.772 . 0 0 "[ . 1 . 2]" 1
106 1 11 ALA MB 1 89 VAL H . . 4.170 3.720 3.370 4.056 . 0 0 "[ . 1 . 2]" 1
107 1 11 ALA MB 1 89 VAL HA . . 4.480 3.850 3.500 4.048 . 0 0 "[ . 1 . 2]" 1
108 1 11 ALA MB 1 89 VAL HB . . 3.020 2.224 2.016 2.683 . 0 0 "[ . 1 . 2]" 1
109 1 11 ALA MB 1 89 VAL QG . . 3.010 2.525 2.103 2.797 . 0 0 "[ . 1 . 2]" 1
110 1 12 GLY H 1 13 PRO HD2 . . 4.910 4.744 4.677 4.846 . 0 0 "[ . 1 . 2]" 1
111 1 12 GLY H 1 13 PRO HD3 . . 4.910 4.595 4.456 4.889 . 0 0 "[ . 1 . 2]" 1
112 1 12 GLY QA 1 13 PRO QB . . 4.870 4.270 4.269 4.275 . 0 0 "[ . 1 . 2]" 1
113 1 12 GLY QA 1 13 PRO QD . . 2.630 2.023 2.000 2.035 . 0 0 "[ . 1 . 2]" 1
114 1 12 GLY QA 1 13 PRO HG2 . . 4.830 4.061 4.027 4.067 . 0 0 "[ . 1 . 2]" 1
115 1 12 GLY QA 1 13 PRO HG3 . . 5.110 4.252 4.238 4.277 . 0 0 "[ . 1 . 2]" 1
116 1 12 GLY HA2 1 13 PRO HD2 . . 3.440 2.562 2.461 2.883 . 0 0 "[ . 1 . 2]" 1
117 1 12 GLY HA2 1 13 PRO HD3 . . 3.440 2.381 2.324 2.605 . 0 0 "[ . 1 . 2]" 1
118 1 12 GLY HA2 1 13 PRO HG2 . . 5.500 4.644 4.560 4.917 . 0 0 "[ . 1 . 2]" 1
119 1 12 GLY HA3 1 13 PRO HD2 . . 3.440 2.468 2.176 2.565 . 0 0 "[ . 1 . 2]" 1
120 1 12 GLY HA3 1 13 PRO HD3 . . 3.440 3.350 3.043 3.444 0.004 7 0 "[ . 1 . 2]" 1
121 1 12 GLY HA3 1 13 PRO HG2 . . 5.500 4.494 4.275 4.569 . 0 0 "[ . 1 . 2]" 1
122 1 13 PRO HA 1 14 ASP H . . 2.700 2.454 2.271 2.598 . 0 0 "[ . 1 . 2]" 1
123 1 13 PRO HA 1 14 ASP HB3 . . 4.780 4.604 4.452 4.752 . 0 0 "[ . 1 . 2]" 1
124 1 13 PRO HA 1 89 VAL QG . . 4.590 4.041 3.656 4.524 . 0 0 "[ . 1 . 2]" 1
125 1 13 PRO QB 1 14 ASP H . . 3.400 2.429 2.125 2.846 . 0 0 "[ . 1 . 2]" 1
126 1 13 PRO HB2 1 14 ASP H . . 3.910 2.491 2.154 2.970 . 0 0 "[ . 1 . 2]" 1
127 1 13 PRO HB3 1 14 ASP H . . 3.910 3.398 3.241 3.647 . 0 0 "[ . 1 . 2]" 1
128 1 13 PRO HG2 1 15 LYS QE . . 4.600 3.929 3.344 4.546 . 0 0 "[ . 1 . 2]" 1
129 1 13 PRO HG3 1 14 ASP H . . 5.340 4.992 4.731 5.334 . 0 0 "[ . 1 . 2]" 1
130 1 14 ASP H 1 14 ASP HB2 . . 3.640 3.515 2.897 3.590 . 0 0 "[ . 1 . 2]" 1
131 1 14 ASP H 1 14 ASP HB3 . . 3.080 2.296 2.190 2.501 . 0 0 "[ . 1 . 2]" 1
132 1 14 ASP H 1 15 LYS H . . 4.840 4.624 4.589 4.642 . 0 0 "[ . 1 . 2]" 1
133 1 14 ASP H 1 89 VAL QG . . 4.460 4.078 3.663 4.417 . 0 0 "[ . 1 . 2]" 1
134 1 14 ASP HA 1 15 LYS H . . 2.720 2.260 2.189 2.454 . 0 0 "[ . 1 . 2]" 1
135 1 14 ASP HA 1 15 LYS QB . . 5.050 4.248 4.138 4.370 . 0 0 "[ . 1 . 2]" 1
136 1 14 ASP HA 1 15 LYS QG . . 4.940 3.857 3.451 4.231 . 0 0 "[ . 1 . 2]" 1
137 1 14 ASP HA 1 89 VAL HB . . 5.500 5.309 5.039 5.500 . 0 0 "[ . 1 . 2]" 1
138 1 14 ASP HA 1 89 VAL QG . . 2.890 2.612 2.286 2.840 . 0 0 "[ . 1 . 2]" 1
139 1 14 ASP HA 1 90 ASN H . . 3.790 3.279 3.053 3.535 . 0 0 "[ . 1 . 2]" 1
140 1 14 ASP HA 1 90 ASN QB . . 4.680 3.463 3.225 3.770 . 0 0 "[ . 1 . 2]" 1
141 1 14 ASP HA 1 91 VAL MG2 . . 5.460 4.731 4.203 5.183 . 0 0 "[ . 1 . 2]" 1
142 1 14 ASP HA 1 92 ILE MD . . 5.500 5.327 4.578 5.501 0.001 19 0 "[ . 1 . 2]" 1
143 1 14 ASP HB2 1 15 LYS H . . 3.410 2.949 2.367 3.412 0.002 10 0 "[ . 1 . 2]" 1
144 1 14 ASP HB2 1 89 VAL QG . . 4.690 4.409 3.946 4.636 . 0 0 "[ . 1 . 2]" 1
145 1 14 ASP HB2 1 90 ASN H . . 4.930 4.612 3.862 4.926 . 0 0 "[ . 1 . 2]" 1
146 1 14 ASP HB2 1 90 ASN HB2 . . 4.720 3.561 2.959 4.039 . 0 0 "[ . 1 . 2]" 1
147 1 14 ASP HB2 1 90 ASN QB . . 3.960 3.382 2.881 3.776 . 0 0 "[ . 1 . 2]" 1
148 1 14 ASP HB2 1 90 ASN HB3 . . 4.720 4.241 3.650 4.633 . 0 0 "[ . 1 . 2]" 1
149 1 14 ASP HB2 1 92 ILE MD . . 4.230 3.817 3.336 4.220 . 0 0 "[ . 1 . 2]" 1
150 1 14 ASP HB3 1 15 LYS H . . 4.240 4.118 3.783 4.244 0.004 15 0 "[ . 1 . 2]" 1
151 1 14 ASP HB3 1 89 VAL QG . . 4.970 4.585 4.163 4.911 . 0 0 "[ . 1 . 2]" 1
152 1 15 LYS H 1 15 LYS QB . . 3.250 2.440 2.289 2.628 . 0 0 "[ . 1 . 2]" 1
153 1 15 LYS H 1 15 LYS HG2 . . 4.190 3.179 2.897 3.475 . 0 0 "[ . 1 . 2]" 1
154 1 15 LYS H 1 15 LYS QG . . 3.600 3.060 2.814 3.310 . 0 0 "[ . 1 . 2]" 1
155 1 15 LYS H 1 15 LYS HG3 . . 4.190 3.996 3.823 4.166 . 0 0 "[ . 1 . 2]" 1
156 1 15 LYS H 1 89 VAL QG . . 3.500 3.086 2.769 3.448 . 0 0 "[ . 1 . 2]" 1
157 1 15 LYS H 1 91 VAL HA . . 3.340 2.862 2.473 3.157 . 0 0 "[ . 1 . 2]" 1
158 1 15 LYS H 1 91 VAL MG1 . . 4.950 4.436 4.061 4.827 . 0 0 "[ . 1 . 2]" 1
159 1 15 LYS H 1 91 VAL MG2 . . 3.780 3.543 3.321 3.779 . 0 0 "[ . 1 . 2]" 1
160 1 15 LYS H 1 92 ILE H . . 4.060 3.729 3.270 3.982 . 0 0 "[ . 1 . 2]" 1
161 1 15 LYS H 1 92 ILE MD . . 5.140 4.602 3.667 4.904 . 0 0 "[ . 1 . 2]" 1
162 1 15 LYS HA 1 15 LYS QD . . 4.220 2.411 2.226 3.154 . 0 0 "[ . 1 . 2]" 1
163 1 15 LYS HA 1 15 LYS HG2 . . 4.090 2.609 2.449 2.739 . 0 0 "[ . 1 . 2]" 1
164 1 15 LYS HA 1 15 LYS QG . . 3.570 2.559 2.414 2.679 . 0 0 "[ . 1 . 2]" 1
165 1 15 LYS HA 1 15 LYS HG3 . . 4.090 3.714 3.644 3.787 . 0 0 "[ . 1 . 2]" 1
166 1 15 LYS HA 1 16 GLU H . . 2.740 2.153 2.141 2.184 . 0 0 "[ . 1 . 2]" 1
167 1 15 LYS HA 1 16 GLU HA . . 4.900 4.399 4.392 4.412 . 0 0 "[ . 1 . 2]" 1
168 1 15 LYS HA 1 16 GLU HB2 . . 5.050 4.264 4.173 4.465 . 0 0 "[ . 1 . 2]" 1
169 1 15 LYS HA 1 16 GLU HB3 . . 4.990 4.914 4.682 4.979 . 0 0 "[ . 1 . 2]" 1
170 1 15 LYS QB 1 15 LYS QE . . 4.550 3.655 3.375 3.771 . 0 0 "[ . 1 . 2]" 1
171 1 15 LYS QB 1 16 GLU H . . 3.460 3.235 3.029 3.394 . 0 0 "[ . 1 . 2]" 1
172 1 15 LYS QB 1 16 GLU HA . . 4.650 4.128 4.039 4.196 . 0 0 "[ . 1 . 2]" 1
173 1 15 LYS QB 1 17 LEU MD1 . . 3.730 3.557 3.352 3.683 . 0 0 "[ . 1 . 2]" 1
174 1 15 LYS QB 1 17 LEU QD . . 3.270 3.158 3.039 3.251 . 0 0 "[ . 1 . 2]" 1
175 1 15 LYS QB 1 17 LEU MD2 . . 3.730 3.544 3.285 3.713 . 0 0 "[ . 1 . 2]" 1
176 1 15 LYS QB 1 17 LEU HG . . 4.100 3.325 3.221 3.550 . 0 0 "[ . 1 . 2]" 1
177 1 15 LYS QB 1 24 THR MG . . 4.230 3.506 2.977 3.843 . 0 0 "[ . 1 . 2]" 1
178 1 15 LYS QB 1 91 VAL HA . . 3.580 2.086 1.956 2.397 . 0 0 "[ . 1 . 2]" 1
179 1 15 LYS QB 1 91 VAL MG1 . . 3.320 2.285 1.972 2.602 . 0 0 "[ . 1 . 2]" 1
180 1 15 LYS QB 1 91 VAL MG2 . . 3.280 1.989 1.854 2.114 . 0 0 "[ . 1 . 2]" 1
181 1 15 LYS QB 1 92 ILE H . . 4.380 3.552 3.275 3.747 . 0 0 "[ . 1 . 2]" 1
182 1 15 LYS QD 1 16 GLU H . . 4.470 3.487 3.055 3.762 . 0 0 "[ . 1 . 2]" 1
183 1 15 LYS QD 1 17 LEU QD . . 3.980 3.193 2.666 3.561 . 0 0 "[ . 1 . 2]" 1
184 1 15 LYS QD 1 24 THR MG . . 3.840 3.020 2.599 3.177 . 0 0 "[ . 1 . 2]" 1
185 1 15 LYS QD 1 91 VAL MG1 . . 4.270 3.829 3.170 4.169 . 0 0 "[ . 1 . 2]" 1
186 1 15 LYS QD 1 91 VAL MG2 . . 4.040 3.698 3.083 4.022 . 0 0 "[ . 1 . 2]" 1
187 1 15 LYS HD2 1 16 GLU H . . 5.180 4.942 4.277 5.183 0.003 9 0 "[ . 1 . 2]" 1
188 1 15 LYS HD2 1 24 THR MG . . 4.500 3.100 2.864 3.248 . 0 0 "[ . 1 . 2]" 1
189 1 15 LYS HD2 1 91 VAL MG1 . . 5.000 4.134 3.723 4.472 . 0 0 "[ . 1 . 2]" 1
190 1 15 LYS HD3 1 16 GLU H . . 5.180 3.566 3.129 3.862 . 0 0 "[ . 1 . 2]" 1
191 1 15 LYS HD3 1 24 THR MG . . 4.500 4.363 2.775 4.502 0.002 11 0 "[ . 1 . 2]" 1
192 1 15 LYS HD3 1 91 VAL MG1 . . 5.000 4.608 3.252 4.983 . 0 0 "[ . 1 . 2]" 1
193 1 15 LYS QE 1 15 LYS QG . . 3.220 2.131 2.036 2.344 . 0 0 "[ . 1 . 2]" 1
194 1 15 LYS QE 1 24 THR MG . . 4.570 4.261 3.628 4.529 . 0 0 "[ . 1 . 2]" 1
195 1 15 LYS QE 1 26 LEU HA . . 4.750 3.406 2.804 4.737 . 0 0 "[ . 1 . 2]" 1
196 1 15 LYS QE 1 26 LEU QD . . 3.860 2.914 2.337 3.827 . 0 0 "[ . 1 . 2]" 1
197 1 15 LYS QE 1 89 VAL QG . . 5.220 3.617 2.878 4.127 . 0 0 "[ . 1 . 2]" 1
198 1 15 LYS QE 1 91 VAL MG2 . . 4.830 4.458 4.165 4.735 . 0 0 "[ . 1 . 2]" 1
199 1 15 LYS HE2 1 91 VAL MG2 . . 5.500 5.109 4.465 5.458 . 0 0 "[ . 1 . 2]" 1
200 1 15 LYS HE3 1 91 VAL MG2 . . 5.500 4.984 4.500 5.486 . 0 0 "[ . 1 . 2]" 1
201 1 15 LYS QG 1 17 LEU QD . . 4.960 4.345 4.148 4.526 . 0 0 "[ . 1 . 2]" 1
202 1 15 LYS QG 1 24 THR MG . . 4.650 3.647 3.365 3.928 . 0 0 "[ . 1 . 2]" 1
203 1 15 LYS QG 1 89 VAL QG . . 4.210 2.475 2.002 3.001 . 0 0 "[ . 1 . 2]" 1
204 1 15 LYS QG 1 91 VAL MG1 . . 4.420 3.529 3.220 3.797 . 0 0 "[ . 1 . 2]" 1
205 1 15 LYS QG 1 91 VAL MG2 . . 4.000 2.427 2.119 2.743 . 0 0 "[ . 1 . 2]" 1
206 1 15 LYS HG2 1 91 VAL MG1 . . 5.030 4.639 4.363 4.947 . 0 0 "[ . 1 . 2]" 1
207 1 15 LYS HG3 1 91 VAL MG1 . . 5.030 3.660 3.317 3.956 . 0 0 "[ . 1 . 2]" 1
208 1 16 GLU H 1 16 GLU HB2 . . 3.400 2.841 2.725 3.009 . 0 0 "[ . 1 . 2]" 1
209 1 16 GLU H 1 16 GLU HB3 . . 3.420 2.942 2.723 3.013 . 0 0 "[ . 1 . 2]" 1
210 1 16 GLU H 1 16 GLU HG2 . . 4.920 4.637 4.547 4.742 . 0 0 "[ . 1 . 2]" 1
211 1 16 GLU H 1 16 GLU QG . . 4.240 4.141 4.095 4.222 . 0 0 "[ . 1 . 2]" 1
212 1 16 GLU H 1 16 GLU HG3 . . 4.920 4.667 4.513 4.927 0.007 16 0 "[ . 1 . 2]" 1
213 1 16 GLU H 1 17 LEU H . . 4.690 4.059 3.950 4.344 . 0 0 "[ . 1 . 2]" 1
214 1 16 GLU H 1 17 LEU QD . . 4.630 3.982 3.657 4.244 . 0 0 "[ . 1 . 2]" 1
215 1 16 GLU H 1 17 LEU HG . . 4.310 4.047 3.779 4.275 . 0 0 "[ . 1 . 2]" 1
216 1 16 GLU H 1 91 VAL MG1 . . 5.500 4.900 4.598 5.158 . 0 0 "[ . 1 . 2]" 1
217 1 16 GLU HA 1 16 GLU HG2 . . 4.200 2.616 2.235 3.120 . 0 0 "[ . 1 . 2]" 1
218 1 16 GLU HA 1 16 GLU QG . . 3.540 2.294 2.164 2.354 . 0 0 "[ . 1 . 2]" 1
219 1 16 GLU HA 1 16 GLU HG3 . . 4.200 2.665 2.207 3.529 . 0 0 "[ . 1 . 2]" 1
220 1 16 GLU HA 1 17 LEU H . . 2.740 2.163 2.142 2.182 . 0 0 "[ . 1 . 2]" 1
221 1 16 GLU HA 1 17 LEU HA . . 5.270 4.407 4.393 4.424 . 0 0 "[ . 1 . 2]" 1
222 1 16 GLU HA 1 17 LEU QB . . 4.680 4.564 4.501 4.636 . 0 0 "[ . 1 . 2]" 1
223 1 16 GLU HA 1 17 LEU HG . . 4.620 3.796 3.523 3.984 . 0 0 "[ . 1 . 2]" 1
224 1 16 GLU HA 1 91 VAL MG1 . . 4.910 4.297 4.039 4.533 . 0 0 "[ . 1 . 2]" 1
225 1 16 GLU HA 1 92 ILE H . . 3.430 3.158 2.876 3.381 . 0 0 "[ . 1 . 2]" 1
226 1 16 GLU HA 1 92 ILE HB . . 3.260 3.092 2.915 3.260 0.000 6 0 "[ . 1 . 2]" 1
227 1 16 GLU HA 1 92 ILE MD . . 4.820 4.394 4.122 4.677 . 0 0 "[ . 1 . 2]" 1
228 1 16 GLU HA 1 92 ILE MG . . 4.120 3.970 3.662 4.121 0.001 9 0 "[ . 1 . 2]" 1
229 1 16 GLU HB2 1 16 GLU QG . . 2.620 2.272 2.141 2.455 . 0 0 "[ . 1 . 2]" 1
230 1 16 GLU HB2 1 17 LEU H . . 4.660 4.549 4.329 4.597 . 0 0 "[ . 1 . 2]" 1
231 1 16 GLU HB2 1 92 ILE MD . . 4.800 4.443 4.115 4.710 . 0 0 "[ . 1 . 2]" 1
232 1 16 GLU HB3 1 16 GLU QG . . 2.580 2.402 2.224 2.468 . 0 0 "[ . 1 . 2]" 1
233 1 16 GLU HB3 1 17 LEU H . . 4.770 4.201 4.028 4.251 . 0 0 "[ . 1 . 2]" 1
234 1 16 GLU QG 1 92 ILE HA . . 5.340 5.246 4.964 5.341 0.001 15 0 "[ . 1 . 2]" 1
235 1 16 GLU QG 1 92 ILE HB . . 4.190 2.781 2.497 3.071 . 0 0 "[ . 1 . 2]" 1
236 1 16 GLU QG 1 92 ILE MD . . 4.340 3.506 3.012 3.860 . 0 0 "[ . 1 . 2]" 1
237 1 16 GLU QG 1 92 ILE MG . . 3.590 3.063 2.569 3.279 . 0 0 "[ . 1 . 2]" 1
238 1 16 GLU QG 1 94 LYS QD . . 4.270 2.932 2.088 4.272 0.002 14 0 "[ . 1 . 2]" 1
239 1 16 GLU HG2 1 17 LEU H . . 4.580 3.433 2.911 4.093 . 0 0 "[ . 1 . 2]" 1
240 1 16 GLU HG2 1 92 ILE MG . . 4.140 3.728 3.092 4.024 . 0 0 "[ . 1 . 2]" 1
241 1 16 GLU HG2 1 94 LYS QD . . 4.970 3.117 2.161 4.855 . 0 0 "[ . 1 . 2]" 1
242 1 16 GLU HG2 1 94 LYS QE . . 4.320 3.380 1.990 4.321 0.001 14 0 "[ . 1 . 2]" 1
243 1 16 GLU HG3 1 17 LEU H . . 4.580 4.245 3.742 4.553 . 0 0 "[ . 1 . 2]" 1
244 1 16 GLU HG3 1 92 ILE MG . . 4.140 3.344 2.612 4.141 0.001 2 0 "[ . 1 . 2]" 1
245 1 16 GLU HG3 1 94 LYS QD . . 4.970 3.669 2.762 4.944 . 0 0 "[ . 1 . 2]" 1
246 1 16 GLU HG3 1 94 LYS QE . . 4.320 3.194 2.067 4.226 . 0 0 "[ . 1 . 2]" 1
247 1 17 LEU H 1 17 LEU QB . . 3.440 2.614 2.520 2.750 . 0 0 "[ . 1 . 2]" 1
248 1 17 LEU H 1 17 LEU MD1 . . 4.410 3.553 3.364 3.760 . 0 0 "[ . 1 . 2]" 1
249 1 17 LEU H 1 17 LEU MD2 . . 4.410 3.761 3.651 3.888 . 0 0 "[ . 1 . 2]" 1
250 1 17 LEU H 1 17 LEU HG . . 3.650 2.487 2.275 2.732 . 0 0 "[ . 1 . 2]" 1
251 1 17 LEU H 1 18 THR H . . 4.580 4.528 4.442 4.563 . 0 0 "[ . 1 . 2]" 1
252 1 17 LEU H 1 91 VAL MG1 . . 4.700 3.978 3.663 4.220 . 0 0 "[ . 1 . 2]" 1
253 1 17 LEU H 1 92 ILE H . . 4.450 4.233 3.928 4.452 0.002 13 0 "[ . 1 . 2]" 1
254 1 17 LEU H 1 92 ILE HB . . 4.750 4.415 4.120 4.668 . 0 0 "[ . 1 . 2]" 1
255 1 17 LEU H 1 92 ILE MG . . 4.690 4.404 4.151 4.667 . 0 0 "[ . 1 . 2]" 1
256 1 17 LEU H 1 93 VAL MG1 . . 4.960 4.352 3.983 4.532 . 0 0 "[ . 1 . 2]" 1
257 1 17 LEU H 1 93 VAL MG2 . . 4.070 3.508 3.213 3.781 . 0 0 "[ . 1 . 2]" 1
258 1 17 LEU H 1 94 LYS H . . 4.360 3.888 3.489 4.225 . 0 0 "[ . 1 . 2]" 1
259 1 17 LEU QB 1 17 LEU QD . . 2.760 1.845 1.793 1.884 . 0 0 "[ . 1 . 2]" 1
260 1 17 LEU QB 1 18 THR H . . 3.230 2.611 2.439 2.810 . 0 0 "[ . 1 . 2]" 1
261 1 17 LEU QB 1 21 VAL H . . 5.500 5.335 5.117 5.497 . 0 0 "[ . 1 . 2]" 1
262 1 17 LEU QB 1 21 VAL HB . . 4.150 3.117 2.881 3.309 . 0 0 "[ . 1 . 2]" 1
263 1 17 LEU QB 1 21 VAL QG . . 3.740 2.338 2.135 2.682 . 0 0 "[ . 1 . 2]" 1
264 1 17 LEU QB 1 93 VAL MG1 . . 3.050 2.933 2.739 3.044 . 0 0 "[ . 1 . 2]" 1
265 1 17 LEU QB 1 93 VAL MG2 . . 3.300 2.468 1.971 2.970 . 0 0 "[ . 1 . 2]" 1
266 1 17 LEU QB 1 94 LYS H . . 4.150 3.856 3.586 4.125 . 0 0 "[ . 1 . 2]" 1
267 1 17 LEU QD 1 18 THR H . . 3.820 3.555 3.381 3.739 . 0 0 "[ . 1 . 2]" 1
268 1 17 LEU QD 1 21 VAL HB . . 4.390 3.911 3.740 4.063 . 0 0 "[ . 1 . 2]" 1
269 1 17 LEU QD 1 21 VAL QG . . 3.650 2.359 2.114 2.557 . 0 0 "[ . 1 . 2]" 1
270 1 17 LEU QD 1 22 ASP HA . . 4.350 3.647 3.088 4.013 . 0 0 "[ . 1 . 2]" 1
271 1 17 LEU QD 1 23 SER H . . 4.110 3.158 2.959 3.594 . 0 0 "[ . 1 . 2]" 1
272 1 17 LEU QD 1 24 THR H . . 4.400 3.605 3.390 4.052 . 0 0 "[ . 1 . 2]" 1
273 1 17 LEU QD 1 24 THR HB . . 3.070 1.801 1.679 2.006 . 0 0 "[ . 1 . 2]" 1
274 1 17 LEU QD 1 66 LEU H . . 5.440 5.190 4.962 5.368 . 0 0 "[ . 1 . 2]" 1
275 1 17 LEU QD 1 66 LEU HB2 . . 4.700 3.508 3.247 3.701 . 0 0 "[ . 1 . 2]" 1
276 1 17 LEU QD 1 66 LEU HB3 . . 4.750 3.575 3.274 3.808 . 0 0 "[ . 1 . 2]" 1
277 1 17 LEU QD 1 66 LEU QD . . 2.930 1.990 1.862 2.167 . 0 0 "[ . 1 . 2]" 1
278 1 17 LEU QD 1 93 VAL MG2 . . 2.860 2.162 1.953 2.514 . 0 0 "[ . 1 . 2]" 1
279 1 17 LEU MD1 1 18 THR H . . 4.990 4.800 4.637 4.978 . 0 0 "[ . 1 . 2]" 1
280 1 17 LEU MD1 1 21 VAL HB . . 5.140 4.896 4.666 5.085 . 0 0 "[ . 1 . 2]" 1
281 1 17 LEU MD1 1 23 SER H . . 5.070 3.403 3.073 3.842 . 0 0 "[ . 1 . 2]" 1
282 1 17 LEU MD1 1 24 THR HA . . 4.870 3.967 3.636 4.457 . 0 0 "[ . 1 . 2]" 1
283 1 17 LEU MD1 1 24 THR HB . . 3.670 2.014 1.827 2.267 . 0 0 "[ . 1 . 2]" 1
284 1 17 LEU MD2 1 18 THR H . . 4.990 3.666 3.454 3.901 . 0 0 "[ . 1 . 2]" 1
285 1 17 LEU MD2 1 21 VAL HB . . 5.140 4.118 3.876 4.358 . 0 0 "[ . 1 . 2]" 1
286 1 17 LEU MD2 1 23 SER H . . 5.070 3.800 3.434 4.323 . 0 0 "[ . 1 . 2]" 1
287 1 17 LEU MD2 1 24 THR HA . . 4.870 3.241 2.842 3.855 . 0 0 "[ . 1 . 2]" 1
288 1 17 LEU MD2 1 24 THR HB . . 3.670 2.069 1.858 2.494 . 0 0 "[ . 1 . 2]" 1
289 1 17 LEU HG 1 18 THR H . . 5.010 4.946 4.875 5.009 . 0 0 "[ . 1 . 2]" 1
290 1 17 LEU HG 1 21 VAL QG . . 5.130 4.464 4.208 4.652 . 0 0 "[ . 1 . 2]" 1
291 1 17 LEU HG 1 91 VAL MG1 . . 3.650 3.204 2.839 3.495 . 0 0 "[ . 1 . 2]" 1
292 1 17 LEU HG 1 93 VAL MG2 . . 4.150 3.696 3.328 4.082 . 0 0 "[ . 1 . 2]" 1
293 1 18 THR H 1 18 THR HB . . 2.970 2.831 2.771 2.965 . 0 0 "[ . 1 . 2]" 1
294 1 18 THR H 1 18 THR MG . . 3.980 3.934 3.912 3.971 . 0 0 "[ . 1 . 2]" 1
295 1 18 THR H 1 19 LEU H . . 4.400 4.123 4.001 4.256 . 0 0 "[ . 1 . 2]" 1
296 1 18 THR H 1 21 VAL HB . . 3.850 2.573 2.402 2.809 . 0 0 "[ . 1 . 2]" 1
297 1 18 THR H 1 21 VAL MG1 . . 4.480 3.234 2.967 3.424 . 0 0 "[ . 1 . 2]" 1
298 1 18 THR H 1 21 VAL QG . . 3.800 2.965 2.724 3.148 . 0 0 "[ . 1 . 2]" 1
299 1 18 THR H 1 21 VAL MG2 . . 4.480 3.461 3.172 3.696 . 0 0 "[ . 1 . 2]" 1
300 1 18 THR H 1 93 VAL MG1 . . 5.250 4.662 4.343 4.964 . 0 0 "[ . 1 . 2]" 1
301 1 18 THR HA 1 18 THR MG . . 3.050 2.304 2.203 2.395 . 0 0 "[ . 1 . 2]" 1
302 1 18 THR HA 1 19 LEU H . . 2.820 2.147 2.141 2.163 . 0 0 "[ . 1 . 2]" 1
303 1 18 THR HA 1 19 LEU QD . . 4.810 3.933 3.219 4.745 . 0 0 "[ . 1 . 2]" 1
304 1 18 THR HA 1 94 LYS H . . 3.330 2.745 2.440 3.181 . 0 0 "[ . 1 . 2]" 1
305 1 18 THR HA 1 94 LYS QB . . 3.620 3.005 2.650 3.324 . 0 0 "[ . 1 . 2]" 1
306 1 18 THR HB 1 19 LEU H . . 4.440 4.259 4.159 4.381 . 0 0 "[ . 1 . 2]" 1
307 1 18 THR HB 1 96 GLU HA . . 5.350 4.651 3.695 5.347 . 0 0 "[ . 1 . 2]" 1
308 1 18 THR MG 1 19 LEU H . . 3.390 2.886 2.591 3.089 . 0 0 "[ . 1 . 2]" 1
309 1 18 THR MG 1 19 LEU HA . . 4.860 4.456 4.301 4.661 . 0 0 "[ . 1 . 2]" 1
310 1 18 THR MG 1 94 LYS H . . 4.400 4.148 3.820 4.414 0.014 14 0 "[ . 1 . 2]" 1
311 1 18 THR MG 1 94 LYS QB . . 3.520 2.833 2.484 3.079 . 0 0 "[ . 1 . 2]" 1
312 1 18 THR MG 1 95 GLU H . . 4.680 3.998 3.513 4.600 . 0 0 "[ . 1 . 2]" 1
313 1 18 THR MG 1 95 GLU HA . . 4.050 3.716 3.400 3.980 . 0 0 "[ . 1 . 2]" 1
314 1 18 THR MG 1 96 GLU H . . 4.150 3.687 3.016 4.151 0.001 10 0 "[ . 1 . 2]" 1
315 1 18 THR MG 1 96 GLU HA . . 3.250 2.265 1.767 2.699 . 0 0 "[ . 1 . 2]" 1
316 1 18 THR MG 1 96 GLU QB . . 4.100 3.681 3.278 4.041 . 0 0 "[ . 1 . 2]" 1
317 1 18 THR MG 1 96 GLU QG . . 4.030 3.646 3.374 4.066 0.036 14 0 "[ . 1 . 2]" 1
318 1 18 THR MG 1 97 SER H . . 4.290 3.132 2.244 3.976 . 0 0 "[ . 1 . 2]" 1
319 1 19 LEU H 1 19 LEU HB2 . . 3.100 2.367 2.308 2.449 . 0 0 "[ . 1 . 2]" 1
320 1 19 LEU H 1 19 LEU HB3 . . 3.610 3.578 3.558 3.601 . 0 0 "[ . 1 . 2]" 1
321 1 19 LEU H 1 19 LEU MD1 . . 3.870 3.671 3.176 3.879 0.009 7 0 "[ . 1 . 2]" 1
322 1 19 LEU H 1 19 LEU QD . . 3.260 2.508 1.846 3.271 0.011 5 0 "[ . 1 . 2]" 1
323 1 19 LEU H 1 19 LEU MD2 . . 3.870 2.700 1.851 3.863 . 0 0 "[ . 1 . 2]" 1
324 1 19 LEU H 1 19 LEU HG . . 3.950 3.189 2.409 3.953 0.003 16 0 "[ . 1 . 2]" 1
325 1 19 LEU H 1 21 VAL QG . . 5.440 4.672 4.545 4.753 . 0 0 "[ . 1 . 2]" 1
326 1 19 LEU H 1 68 VAL QG . . 5.440 4.631 4.296 5.204 . 0 0 "[ . 1 . 2]" 1
327 1 19 LEU H 1 93 VAL MG1 . . 3.800 3.276 2.949 3.589 . 0 0 "[ . 1 . 2]" 1
328 1 19 LEU H 1 94 LYS H . . 4.410 3.837 3.469 4.341 . 0 0 "[ . 1 . 2]" 1
329 1 19 LEU H 1 95 GLU HA . . 3.770 3.151 2.843 3.604 . 0 0 "[ . 1 . 2]" 1
330 1 19 LEU H 1 95 GLU QG . . 5.500 5.031 4.593 5.500 . 0 0 "[ . 1 . 2]" 1
331 1 19 LEU HA 1 19 LEU MD1 . . 4.040 2.886 1.907 3.854 . 0 0 "[ . 1 . 2]" 1
332 1 19 LEU HA 1 19 LEU QD . . 2.850 1.955 1.876 2.158 . 0 0 "[ . 1 . 2]" 1
333 1 19 LEU HA 1 19 LEU MD2 . . 4.040 2.174 1.968 3.002 . 0 0 "[ . 1 . 2]" 1
334 1 19 LEU HA 1 19 LEU HG . . 3.770 3.305 2.644 3.719 . 0 0 "[ . 1 . 2]" 1
335 1 19 LEU HA 1 20 PRO HA . . 2.970 2.438 2.409 2.466 . 0 0 "[ . 1 . 2]" 1
336 1 19 LEU HA 1 20 PRO QB . . 4.340 3.992 3.973 4.010 . 0 0 "[ . 1 . 2]" 1
337 1 19 LEU HA 1 21 VAL H . . 3.090 2.348 2.289 2.486 . 0 0 "[ . 1 . 2]" 1
338 1 19 LEU HA 1 21 VAL HB . . 4.400 3.496 3.423 3.610 . 0 0 "[ . 1 . 2]" 1
339 1 19 LEU HA 1 21 VAL QG . . 3.940 3.717 3.663 3.803 . 0 0 "[ . 1 . 2]" 1
340 1 19 LEU HA 1 93 VAL MG1 . . 4.600 4.319 4.038 4.498 . 0 0 "[ . 1 . 2]" 1
341 1 19 LEU HB2 1 19 LEU MD1 . . 3.570 2.764 2.093 3.191 . 0 0 "[ . 1 . 2]" 1
342 1 19 LEU HB2 1 19 LEU MD2 . . 3.570 2.781 2.163 3.193 . 0 0 "[ . 1 . 2]" 1
343 1 19 LEU HB2 1 20 PRO HA . . 3.680 3.585 3.570 3.597 . 0 0 "[ . 1 . 2]" 1
344 1 19 LEU HB2 1 20 PRO QB . . 5.500 5.107 5.097 5.113 . 0 0 "[ . 1 . 2]" 1
345 1 19 LEU HB2 1 21 VAL H . . 5.110 4.840 4.761 4.979 . 0 0 "[ . 1 . 2]" 1
346 1 19 LEU HB2 1 93 VAL MG1 . . 4.830 4.513 4.278 4.772 . 0 0 "[ . 1 . 2]" 1
347 1 19 LEU HB2 1 95 GLU HA . . 3.580 2.261 1.997 2.784 . 0 0 "[ . 1 . 2]" 1
348 1 19 LEU HB2 1 96 GLU H . . 3.920 2.461 1.990 2.949 . 0 0 "[ . 1 . 2]" 1
349 1 19 LEU HB2 1 96 GLU HA . . 4.570 4.059 3.711 4.301 . 0 0 "[ . 1 . 2]" 1
350 1 19 LEU HB2 1 96 GLU QB . . 4.320 3.400 2.703 4.320 . 0 0 "[ . 1 . 2]" 1
351 1 19 LEU HB2 1 96 GLU QG . . 5.500 4.968 3.205 5.475 . 0 0 "[ . 1 . 2]" 1
352 1 19 LEU HB3 1 19 LEU MD1 . . 3.580 2.347 2.114 2.527 . 0 0 "[ . 1 . 2]" 1
353 1 19 LEU HB3 1 19 LEU QD . . 2.960 2.183 2.053 2.382 . 0 0 "[ . 1 . 2]" 1
354 1 19 LEU HB3 1 19 LEU MD2 . . 3.580 2.802 2.251 3.194 . 0 0 "[ . 1 . 2]" 1
355 1 19 LEU HB3 1 20 PRO HA . . 3.020 1.987 1.985 1.989 . 0 0 "[ . 1 . 2]" 1
356 1 19 LEU HB3 1 20 PRO QB . . 4.480 3.582 3.566 3.602 . 0 0 "[ . 1 . 2]" 1
357 1 19 LEU HB3 1 21 VAL H . . 4.330 4.230 4.191 4.317 . 0 0 "[ . 1 . 2]" 1
358 1 19 LEU HB3 1 93 VAL MG1 . . 5.500 5.272 4.982 5.499 . 0 0 "[ . 1 . 2]" 1
359 1 19 LEU HB3 1 95 GLU HA . . 4.520 3.894 3.566 4.396 . 0 0 "[ . 1 . 2]" 1
360 1 19 LEU HB3 1 96 GLU H . . 4.600 3.481 3.123 3.957 . 0 0 "[ . 1 . 2]" 1
361 1 19 LEU HB3 1 96 GLU HA . . 5.340 4.965 4.521 5.274 . 0 0 "[ . 1 . 2]" 1
362 1 19 LEU HB3 1 96 GLU QB . . 4.750 3.477 2.575 4.623 . 0 0 "[ . 1 . 2]" 1
363 1 19 LEU QD 1 20 PRO HA . . 3.140 1.914 1.819 2.080 . 0 0 "[ . 1 . 2]" 1
364 1 19 LEU QD 1 20 PRO QB . . 4.760 3.235 3.073 3.482 . 0 0 "[ . 1 . 2]" 1
365 1 19 LEU QD 1 20 PRO QD . . 5.060 4.283 4.208 4.400 . 0 0 "[ . 1 . 2]" 1
366 1 19 LEU QD 1 21 VAL H . . 3.710 3.581 3.447 3.696 . 0 0 "[ . 1 . 2]" 1
367 1 19 LEU QD 1 22 ASP HA . . 3.750 3.357 3.107 3.751 0.001 11 0 "[ . 1 . 2]" 1
368 1 19 LEU QD 1 22 ASP QB . . 3.220 2.500 1.886 3.229 0.009 16 0 "[ . 1 . 2]" 1
369 1 19 LEU QD 1 66 LEU H . . 5.440 5.052 4.482 5.434 . 0 0 "[ . 1 . 2]" 1
370 1 19 LEU QD 1 68 VAL H . . 3.570 3.162 2.654 3.554 . 0 0 "[ . 1 . 2]" 1
371 1 19 LEU QD 1 68 VAL HA . . 4.410 4.067 3.744 4.382 . 0 0 "[ . 1 . 2]" 1
372 1 19 LEU QD 1 68 VAL HB . . 5.210 4.619 3.899 5.180 . 0 0 "[ . 1 . 2]" 1
373 1 19 LEU QD 1 93 VAL MG1 . . 2.880 2.410 1.907 2.881 0.001 17 0 "[ . 1 . 2]" 1
374 1 19 LEU QD 1 94 LYS QB . . 5.440 4.806 4.212 5.354 . 0 0 "[ . 1 . 2]" 1
375 1 19 LEU QD 1 95 GLU H . . 4.740 4.389 3.599 4.744 0.004 14 0 "[ . 1 . 2]" 1
376 1 19 LEU QD 1 95 GLU HA . . 3.460 2.547 1.972 3.166 . 0 0 "[ . 1 . 2]" 1
377 1 19 LEU QD 1 95 GLU QB . . 4.900 3.810 2.356 4.728 . 0 0 "[ . 1 . 2]" 1
378 1 19 LEU QD 1 95 GLU QG . . 4.050 3.228 2.090 4.052 0.002 10 0 "[ . 1 . 2]" 1
379 1 19 LEU QD 1 96 GLU H . . 4.210 3.712 2.928 4.209 . 0 0 "[ . 1 . 2]" 1
380 1 19 LEU MD1 1 20 PRO HA . . 4.250 2.678 1.823 3.713 . 0 0 "[ . 1 . 2]" 1
381 1 19 LEU MD1 1 67 GLN HA . . 3.960 3.644 3.353 3.911 . 0 0 "[ . 1 . 2]" 1
382 1 19 LEU MD1 1 68 VAL H . . 4.810 3.973 2.781 4.810 . 0 0 "[ . 1 . 2]" 1
383 1 19 LEU MD2 1 20 PRO HA . . 4.250 2.974 1.829 4.222 . 0 0 "[ . 1 . 2]" 1
384 1 19 LEU MD2 1 67 GLN HA . . 3.960 3.061 2.160 3.626 . 0 0 "[ . 1 . 2]" 1
385 1 19 LEU MD2 1 68 VAL H . . 4.810 3.712 2.677 4.515 . 0 0 "[ . 1 . 2]" 1
386 1 19 LEU HG 1 20 PRO HA . . 4.950 3.840 3.517 4.127 . 0 0 "[ . 1 . 2]" 1
387 1 19 LEU HG 1 93 VAL MG1 . . 4.400 3.503 2.578 4.315 . 0 0 "[ . 1 . 2]" 1
388 1 19 LEU HG 1 95 GLU HA . . 4.030 3.379 2.655 4.028 . 0 0 "[ . 1 . 2]" 1
389 1 20 PRO HA 1 21 VAL H . . 3.510 3.350 3.330 3.388 . 0 0 "[ . 1 . 2]" 1
390 1 20 PRO QB 1 21 VAL H . . 3.820 3.647 3.582 3.677 . 0 0 "[ . 1 . 2]" 1
391 1 20 PRO QB 1 21 VAL HA . . 4.990 4.253 4.229 4.272 . 0 0 "[ . 1 . 2]" 1
392 1 20 PRO QD 1 21 VAL H . . 4.000 2.847 2.775 2.885 . 0 0 "[ . 1 . 2]" 1
393 1 20 PRO QD 1 21 VAL QG . . 4.430 3.192 3.122 3.282 . 0 0 "[ . 1 . 2]" 1
394 1 20 PRO QD 1 96 GLU QG . . 4.270 3.342 2.082 4.276 0.006 14 0 "[ . 1 . 2]" 1
395 1 20 PRO HD2 1 21 VAL H . . 4.720 2.916 2.835 2.958 . 0 0 "[ . 1 . 2]" 1
396 1 20 PRO HD3 1 21 VAL H . . 4.720 3.985 3.942 4.007 . 0 0 "[ . 1 . 2]" 1
397 1 20 PRO QG 1 21 VAL H . . 4.320 3.113 2.981 3.178 . 0 0 "[ . 1 . 2]" 1
398 1 20 PRO QG 1 21 VAL QG . . 3.970 3.361 3.203 3.499 . 0 0 "[ . 1 . 2]" 1
399 1 20 PRO HG2 1 21 VAL H . . 5.210 3.175 3.033 3.245 . 0 0 "[ . 1 . 2]" 1
400 1 20 PRO HG3 1 21 VAL H . . 5.210 4.486 4.378 4.540 . 0 0 "[ . 1 . 2]" 1
401 1 21 VAL H 1 21 VAL HB . . 3.040 2.629 2.557 2.689 . 0 0 "[ . 1 . 2]" 1
402 1 21 VAL H 1 21 VAL QG . . 3.020 2.010 1.898 2.156 . 0 0 "[ . 1 . 2]" 1
403 1 21 VAL HA 1 21 VAL MG1 . . 3.240 2.328 2.240 2.428 . 0 0 "[ . 1 . 2]" 1
404 1 21 VAL HA 1 21 VAL QG . . 2.740 2.095 2.043 2.165 . 0 0 "[ . 1 . 2]" 1
405 1 21 VAL HA 1 21 VAL MG2 . . 3.240 2.380 2.305 2.455 . 0 0 "[ . 1 . 2]" 1
406 1 21 VAL HA 1 22 ASP H . . 3.040 2.231 2.148 2.319 . 0 0 "[ . 1 . 2]" 1
407 1 21 VAL HA 1 23 SER H . . 3.670 3.599 3.374 3.671 0.001 12 0 "[ . 1 . 2]" 1
408 1 21 VAL HB 1 23 SER H . . 4.730 4.529 4.344 4.693 . 0 0 "[ . 1 . 2]" 1
409 1 21 VAL HB 1 93 VAL MG1 . . 5.500 5.088 4.834 5.381 . 0 0 "[ . 1 . 2]" 1
410 1 21 VAL QG 1 22 ASP H . . 3.770 3.182 2.761 3.380 . 0 0 "[ . 1 . 2]" 1
411 1 21 VAL QG 1 23 SER H . . 2.940 2.379 2.120 2.592 . 0 0 "[ . 1 . 2]" 1
412 1 21 VAL QG 1 23 SER HA . . 4.880 4.632 4.496 4.800 . 0 0 "[ . 1 . 2]" 1
413 1 21 VAL QG 1 24 THR HB . . 4.420 4.261 3.879 4.408 . 0 0 "[ . 1 . 2]" 1
414 1 21 VAL QG 1 66 LEU QD . . 4.710 4.273 3.955 4.567 . 0 0 "[ . 1 . 2]" 1
415 1 22 ASP H 1 23 SER H . . 3.080 2.826 2.518 3.043 . 0 0 "[ . 1 . 2]" 1
416 1 22 ASP HA 1 23 SER H . . 3.460 2.817 2.751 2.896 . 0 0 "[ . 1 . 2]" 1
417 1 22 ASP HA 1 65 GLY H . . 5.500 5.176 4.714 5.501 0.001 8 0 "[ . 1 . 2]" 1
418 1 22 ASP HA 1 66 LEU H . . 4.150 3.626 3.127 3.966 . 0 0 "[ . 1 . 2]" 1
419 1 22 ASP HA 1 66 LEU HB2 . . 3.550 2.532 2.182 2.712 . 0 0 "[ . 1 . 2]" 1
420 1 22 ASP HA 1 66 LEU HB3 . . 4.240 3.892 3.552 4.103 . 0 0 "[ . 1 . 2]" 1
421 1 22 ASP HA 1 66 LEU MD1 . . 5.410 3.285 2.866 3.713 . 0 0 "[ . 1 . 2]" 1
422 1 22 ASP HA 1 66 LEU QD . . 3.880 3.246 2.846 3.635 . 0 0 "[ . 1 . 2]" 1
423 1 22 ASP HA 1 66 LEU MD2 . . 5.410 5.123 4.827 5.282 . 0 0 "[ . 1 . 2]" 1
424 1 22 ASP HA 1 93 VAL MG1 . . 4.860 3.723 3.225 4.168 . 0 0 "[ . 1 . 2]" 1
425 1 22 ASP QB 1 23 SER QB . . 5.010 4.448 4.014 4.776 . 0 0 "[ . 1 . 2]" 1
426 1 22 ASP QB 1 65 GLY H . . 4.540 3.348 2.577 3.786 . 0 0 "[ . 1 . 2]" 1
427 1 22 ASP QB 1 66 LEU H . . 3.320 2.148 1.910 2.472 . 0 0 "[ . 1 . 2]" 1
428 1 22 ASP QB 1 66 LEU HB2 . . 4.060 2.900 2.182 3.298 . 0 0 "[ . 1 . 2]" 1
429 1 22 ASP HB2 1 23 SER H . . 4.810 4.412 4.237 4.511 . 0 0 "[ . 1 . 2]" 1
430 1 22 ASP HB2 1 66 LEU H . . 4.170 2.420 1.919 3.935 . 0 0 "[ . 1 . 2]" 1
431 1 22 ASP HB3 1 23 SER H . . 4.810 4.594 4.324 4.667 . 0 0 "[ . 1 . 2]" 1
432 1 22 ASP HB3 1 66 LEU H . . 4.170 3.568 1.982 4.093 . 0 0 "[ . 1 . 2]" 1
433 1 23 SER H 1 23 SER QB . . 3.390 3.199 3.096 3.295 . 0 0 "[ . 1 . 2]" 1
434 1 23 SER H 1 24 THR H . . 4.540 4.227 4.160 4.294 . 0 0 "[ . 1 . 2]" 1
435 1 23 SER H 1 66 LEU QD . . 4.080 3.378 2.944 3.747 . 0 0 "[ . 1 . 2]" 1
436 1 23 SER HA 1 24 THR H . . 2.710 2.192 2.158 2.254 . 0 0 "[ . 1 . 2]" 1
437 1 23 SER HA 1 24 THR MG . . 4.580 3.927 3.762 4.132 . 0 0 "[ . 1 . 2]" 1
438 1 23 SER HA 1 62 THR MG . . 4.830 4.396 3.846 4.826 . 0 0 "[ . 1 . 2]" 1
439 1 23 SER HA 1 63 VAL H . . 4.990 4.725 4.463 4.988 . 0 0 "[ . 1 . 2]" 1
440 1 23 SER HA 1 63 VAL HB . . 4.970 4.505 3.953 4.715 . 0 0 "[ . 1 . 2]" 1
441 1 23 SER HA 1 63 VAL QG . . 4.590 4.128 3.695 4.346 . 0 0 "[ . 1 . 2]" 1
442 1 23 SER HA 1 64 THR HB . . 4.940 4.649 4.317 4.907 . 0 0 "[ . 1 . 2]" 1
443 1 23 SER HA 1 64 THR MG . . 4.330 3.679 3.423 4.147 . 0 0 "[ . 1 . 2]" 1
444 1 23 SER HA 1 65 GLY H . . 4.640 4.141 3.762 4.436 . 0 0 "[ . 1 . 2]" 1
445 1 23 SER HA 1 66 LEU H . . 4.710 4.236 3.772 4.655 . 0 0 "[ . 1 . 2]" 1
446 1 23 SER HA 1 66 LEU QD . . 3.690 2.433 2.103 2.995 . 0 0 "[ . 1 . 2]" 1
447 1 23 SER HA 1 66 LEU HG . . 4.710 3.968 3.490 4.507 . 0 0 "[ . 1 . 2]" 1
448 1 23 SER QB 1 24 THR H . . 3.150 3.000 2.767 3.135 . 0 0 "[ . 1 . 2]" 1
449 1 23 SER QB 1 24 THR HA . . 4.740 4.328 4.169 4.498 . 0 0 "[ . 1 . 2]" 1
450 1 23 SER QB 1 24 THR MG . . 5.260 4.851 4.701 5.006 . 0 0 "[ . 1 . 2]" 1
451 1 23 SER QB 1 62 THR MG . . 3.520 3.258 2.828 3.520 . 0 0 "[ . 1 . 2]" 1
452 1 23 SER QB 1 63 VAL H . . 5.100 4.801 4.425 5.089 . 0 0 "[ . 1 . 2]" 1
453 1 23 SER QB 1 64 THR HB . . 4.060 3.411 2.729 3.774 . 0 0 "[ . 1 . 2]" 1
454 1 23 SER QB 1 64 THR MG . . 3.030 2.567 2.125 3.015 . 0 0 "[ . 1 . 2]" 1
455 1 23 SER QB 1 65 GLY H . . 4.810 3.675 3.186 4.204 . 0 0 "[ . 1 . 2]" 1
456 1 24 THR H 1 24 THR HB . . 3.920 3.178 3.036 3.333 . 0 0 "[ . 1 . 2]" 1
457 1 24 THR H 1 24 THR MG . . 3.250 2.499 2.364 2.629 . 0 0 "[ . 1 . 2]" 1
458 1 24 THR H 1 62 THR MG . . 3.900 3.533 3.081 3.875 . 0 0 "[ . 1 . 2]" 1
459 1 24 THR H 1 63 VAL H . . 3.440 3.143 2.893 3.395 . 0 0 "[ . 1 . 2]" 1
460 1 24 THR H 1 63 VAL HB . . 3.880 3.465 2.973 3.671 . 0 0 "[ . 1 . 2]" 1
461 1 24 THR H 1 63 VAL MG1 . . 4.930 4.264 3.783 4.550 . 0 0 "[ . 1 . 2]" 1
462 1 24 THR H 1 63 VAL QG . . 4.090 3.944 3.615 4.084 . 0 0 "[ . 1 . 2]" 1
463 1 24 THR H 1 63 VAL MG2 . . 4.930 4.692 4.313 4.929 . 0 0 "[ . 1 . 2]" 1
464 1 24 THR H 1 64 THR MG . . 4.360 4.161 3.908 4.361 0.001 10 0 "[ . 1 . 2]" 1
465 1 24 THR H 1 66 LEU QD . . 3.600 2.835 2.524 3.175 . 0 0 "[ . 1 . 2]" 1
466 1 24 THR HA 1 25 THR H . . 2.890 2.445 2.235 2.520 . 0 0 "[ . 1 . 2]" 1
467 1 24 THR HA 1 25 THR MG . . 4.290 3.667 3.478 3.989 . 0 0 "[ . 1 . 2]" 1
468 1 24 THR HB 1 25 THR H . . 4.200 3.826 3.671 4.167 . 0 0 "[ . 1 . 2]" 1
469 1 24 THR HB 1 66 LEU QD . . 4.360 3.198 2.846 3.704 . 0 0 "[ . 1 . 2]" 1
470 1 24 THR MG 1 25 THR H . . 3.560 3.043 2.647 3.499 . 0 0 "[ . 1 . 2]" 1
471 1 24 THR MG 1 25 THR HA . . 4.580 3.502 3.240 3.745 . 0 0 "[ . 1 . 2]" 1
472 1 24 THR MG 1 25 THR HB . . 5.500 5.353 5.080 5.499 . 0 0 "[ . 1 . 2]" 1
473 1 24 THR MG 1 26 LEU MD1 . . 4.760 3.507 3.065 4.388 . 0 0 "[ . 1 . 2]" 1
474 1 24 THR MG 1 26 LEU QD . . 3.340 2.810 2.477 3.135 . 0 0 "[ . 1 . 2]" 1
475 1 24 THR MG 1 26 LEU MD2 . . 4.760 2.980 2.543 3.526 . 0 0 "[ . 1 . 2]" 1
476 1 24 THR MG 1 63 VAL H . . 4.230 3.189 2.769 3.952 . 0 0 "[ . 1 . 2]" 1
477 1 24 THR MG 1 63 VAL HB . . 3.620 2.635 2.152 3.340 . 0 0 "[ . 1 . 2]" 1
478 1 24 THR MG 1 66 LEU QD . . 3.020 2.343 1.959 2.721 . 0 0 "[ . 1 . 2]" 1
479 1 25 THR H 1 25 THR HB . . 3.800 3.732 3.238 3.801 0.001 8 0 "[ . 1 . 2]" 1
480 1 25 THR H 1 25 THR MG . . 3.600 3.014 1.908 3.197 . 0 0 "[ . 1 . 2]" 1
481 1 25 THR H 1 26 LEU H . . 4.620 4.316 4.144 4.523 . 0 0 "[ . 1 . 2]" 1
482 1 25 THR HA 1 25 THR MG . . 3.240 2.267 2.087 3.169 . 0 0 "[ . 1 . 2]" 1
483 1 25 THR HA 1 26 LEU H . . 2.840 2.158 2.142 2.270 . 0 0 "[ . 1 . 2]" 1
484 1 25 THR HA 1 26 LEU HG . . 5.500 3.791 3.450 4.046 . 0 0 "[ . 1 . 2]" 1
485 1 25 THR HA 1 60 VAL QG . . 4.370 4.004 3.699 4.358 . 0 0 "[ . 1 . 2]" 1
486 1 25 THR HA 1 62 THR HA . . 3.190 2.397 2.145 2.595 . 0 0 "[ . 1 . 2]" 1
487 1 25 THR HA 1 63 VAL H . . 3.930 3.492 2.936 3.836 . 0 0 "[ . 1 . 2]" 1
488 1 25 THR HB 1 26 LEU H . . 4.120 3.345 3.069 3.724 . 0 0 "[ . 1 . 2]" 1
489 1 25 THR HB 1 60 VAL HA . . 5.500 5.227 4.881 5.501 0.001 2 0 "[ . 1 . 2]" 1
490 1 25 THR HB 1 60 VAL QG . . 3.700 2.745 2.453 3.324 . 0 0 "[ . 1 . 2]" 1
491 1 25 THR HB 1 61 ALA H . . 5.500 4.780 4.349 5.063 . 0 0 "[ . 1 . 2]" 1
492 1 25 THR MG 1 26 LEU H . . 3.990 3.881 3.640 3.986 . 0 0 "[ . 1 . 2]" 1
493 1 25 THR MG 1 27 ASP QB . . 5.110 5.040 4.420 5.112 0.002 16 0 "[ . 1 . 2]" 1
494 1 25 THR MG 1 61 ALA H . . 5.440 5.256 4.931 5.418 . 0 0 "[ . 1 . 2]" 1
495 1 25 THR MG 1 62 THR HA . . 3.850 2.972 2.124 3.850 . 14 0 "[ . 1 . 2]" 1
496 1 26 LEU H 1 26 LEU QB . . 3.420 2.495 2.364 2.613 . 0 0 "[ . 1 . 2]" 1
497 1 26 LEU H 1 26 LEU MD1 . . 4.220 3.503 3.299 3.775 . 0 0 "[ . 1 . 2]" 1
498 1 26 LEU H 1 26 LEU QD . . 3.700 3.257 3.082 3.456 . 0 0 "[ . 1 . 2]" 1
499 1 26 LEU H 1 26 LEU MD2 . . 4.220 3.885 3.699 4.108 . 0 0 "[ . 1 . 2]" 1
500 1 26 LEU H 1 26 LEU HG . . 4.220 2.634 2.324 2.885 . 0 0 "[ . 1 . 2]" 1
501 1 26 LEU H 1 60 VAL HA . . 4.930 4.683 4.071 4.931 0.001 6 0 "[ . 1 . 2]" 1
502 1 26 LEU H 1 60 VAL QG . . 4.090 3.620 3.074 4.022 . 0 0 "[ . 1 . 2]" 1
503 1 26 LEU H 1 61 ALA H . . 3.760 3.175 2.790 3.430 . 0 0 "[ . 1 . 2]" 1
504 1 26 LEU H 1 61 ALA MB . . 4.340 3.499 3.218 3.682 . 0 0 "[ . 1 . 2]" 1
505 1 26 LEU H 1 62 THR HA . . 4.040 3.404 3.016 3.954 . 0 0 "[ . 1 . 2]" 1
506 1 26 LEU H 1 63 VAL QG . . 4.710 4.378 4.025 4.708 . 0 0 "[ . 1 . 2]" 1
507 1 26 LEU HA 1 26 LEU MD1 . . 4.440 3.940 3.896 3.969 . 0 0 "[ . 1 . 2]" 1
508 1 26 LEU HA 1 26 LEU QD . . 3.000 2.320 2.147 2.464 . 0 0 "[ . 1 . 2]" 1
509 1 26 LEU HA 1 26 LEU MD2 . . 4.440 2.337 2.157 2.491 . 0 0 "[ . 1 . 2]" 1
510 1 26 LEU HA 1 26 LEU HG . . 4.090 2.944 2.759 3.049 . 0 0 "[ . 1 . 2]" 1
511 1 26 LEU HA 1 27 ASP H . . 2.920 2.259 2.143 2.279 . 0 0 "[ . 1 . 2]" 1
512 1 26 LEU HA 1 27 ASP HA . . 5.080 4.467 4.404 4.487 . 0 0 "[ . 1 . 2]" 1
513 1 26 LEU HA 1 42 TRP HH2 . . 5.500 4.463 4.171 4.854 . 0 0 "[ . 1 . 2]" 1
514 1 26 LEU HA 1 42 TRP HZ2 . . 5.500 5.032 4.586 5.410 . 0 0 "[ . 1 . 2]" 1
515 1 26 LEU QB 1 26 LEU QD . . 2.860 1.852 1.792 1.897 . 0 0 "[ . 1 . 2]" 1
516 1 26 LEU QB 1 42 TRP HE3 . . 5.250 3.678 3.404 3.936 . 0 0 "[ . 1 . 2]" 1
517 1 26 LEU QB 1 42 TRP HH2 . . 4.450 2.547 2.399 2.790 . 0 0 "[ . 1 . 2]" 1
518 1 26 LEU QB 1 42 TRP HZ3 . . 5.020 2.934 2.741 3.179 . 0 0 "[ . 1 . 2]" 1
519 1 26 LEU QB 1 61 ALA H . . 3.810 3.121 2.781 3.538 . 0 0 "[ . 1 . 2]" 1
520 1 26 LEU QB 1 61 ALA MB . . 3.370 2.669 2.204 3.288 . 0 0 "[ . 1 . 2]" 1
521 1 26 LEU QB 1 89 VAL QG . . 4.530 3.602 3.140 3.937 . 0 0 "[ . 1 . 2]" 1
522 1 26 LEU HB2 1 42 TRP HH2 . . 5.320 3.932 3.236 4.422 . 0 0 "[ . 1 . 2]" 1
523 1 26 LEU HB2 1 42 TRP HZ2 . . 5.070 4.084 3.536 4.380 . 0 0 "[ . 1 . 2]" 1
524 1 26 LEU HB3 1 42 TRP HH2 . . 5.320 2.582 2.435 2.821 . 0 0 "[ . 1 . 2]" 1
525 1 26 LEU HB3 1 42 TRP HZ2 . . 5.070 3.547 3.276 3.886 . 0 0 "[ . 1 . 2]" 1
526 1 26 LEU QD 1 27 ASP H . . 4.210 4.101 3.877 4.205 . 0 0 "[ . 1 . 2]" 1
527 1 26 LEU QD 1 42 TRP HB3 . . 4.600 3.605 3.117 4.142 . 0 0 "[ . 1 . 2]" 1
528 1 26 LEU QD 1 42 TRP HE3 . . 3.820 2.558 2.173 2.915 . 0 0 "[ . 1 . 2]" 1
529 1 26 LEU QD 1 42 TRP HH2 . . 4.280 3.235 2.907 3.477 . 0 0 "[ . 1 . 2]" 1
530 1 26 LEU QD 1 42 TRP HZ3 . . 3.880 2.380 1.970 2.648 . 0 0 "[ . 1 . 2]" 1
531 1 26 LEU QD 1 53 LEU MD1 . . 4.520 4.087 3.752 4.374 . 0 0 "[ . 1 . 2]" 1
532 1 26 LEU QD 1 53 LEU MD2 . . 3.580 2.714 2.368 3.170 . 0 0 "[ . 1 . 2]" 1
533 1 26 LEU QD 1 61 ALA H . . 5.230 4.333 4.025 4.671 . 0 0 "[ . 1 . 2]" 1
534 1 26 LEU QD 1 61 ALA MB . . 3.280 2.881 2.450 3.225 . 0 0 "[ . 1 . 2]" 1
535 1 26 LEU QD 1 63 VAL HB . . 4.370 3.805 3.590 4.298 . 0 0 "[ . 1 . 2]" 1
536 1 26 LEU QD 1 63 VAL QG . . 3.150 2.203 1.892 2.879 . 0 0 "[ . 1 . 2]" 1
537 1 26 LEU QD 1 73 PHE HB2 . . 3.960 2.381 2.086 2.877 . 0 0 "[ . 1 . 2]" 1
538 1 26 LEU QD 1 73 PHE HB3 . . 3.890 2.754 2.457 3.265 . 0 0 "[ . 1 . 2]" 1
539 1 26 LEU QD 1 89 VAL QG . . 3.000 2.028 1.724 2.285 . 0 0 "[ . 1 . 2]" 1
540 1 26 LEU QD 1 91 VAL MG2 . . 3.110 2.469 2.181 2.708 . 0 0 "[ . 1 . 2]" 1
541 1 26 LEU MD1 1 42 TRP HZ3 . . 4.470 2.550 1.982 2.881 . 0 0 "[ . 1 . 2]" 1
542 1 26 LEU MD1 1 73 PHE HB2 . . 4.840 2.465 2.098 2.979 . 0 0 "[ . 1 . 2]" 1
543 1 26 LEU MD1 1 73 PHE HB3 . . 5.210 2.788 2.493 3.320 . 0 0 "[ . 1 . 2]" 1
544 1 26 LEU MD1 1 73 PHE QD . . 3.950 2.902 2.457 3.140 . 0 0 "[ . 1 . 2]" 1
545 1 26 LEU MD1 1 73 PHE QE . . 4.910 3.695 3.313 3.985 . 0 0 "[ . 1 . 2]" 1
546 1 26 LEU MD1 1 91 VAL MG2 . . 4.460 3.442 3.007 3.905 . 0 0 "[ . 1 . 2]" 1
547 1 26 LEU MD2 1 42 TRP HZ3 . . 4.470 2.971 2.293 3.430 . 0 0 "[ . 1 . 2]" 1
548 1 26 LEU MD2 1 73 PHE HB2 . . 4.840 3.242 2.716 3.803 . 0 0 "[ . 1 . 2]" 1
549 1 26 LEU MD2 1 73 PHE HB3 . . 5.210 4.312 3.724 4.848 . 0 0 "[ . 1 . 2]" 1
550 1 26 LEU MD2 1 73 PHE QD . . 3.950 3.268 2.855 3.707 . 0 0 "[ . 1 . 2]" 1
551 1 26 LEU MD2 1 73 PHE QE . . 4.910 4.298 3.914 4.804 . 0 0 "[ . 1 . 2]" 1
552 1 26 LEU MD2 1 91 VAL MG2 . . 4.460 2.536 2.239 2.866 . 0 0 "[ . 1 . 2]" 1
553 1 26 LEU HG 1 63 VAL QG . . 4.190 3.451 3.074 3.761 . 0 0 "[ . 1 . 2]" 1
554 1 27 ASP H 1 27 ASP HB2 . . 3.680 3.350 2.575 3.684 0.004 15 0 "[ . 1 . 2]" 1
555 1 27 ASP H 1 27 ASP HB3 . . 3.680 2.508 2.212 2.830 . 0 0 "[ . 1 . 2]" 1
556 1 27 ASP H 1 28 GLY H . . 4.700 4.437 4.257 4.551 . 0 0 "[ . 1 . 2]" 1
557 1 27 ASP H 1 42 TRP HH2 . . 5.500 5.295 4.975 5.497 . 0 0 "[ . 1 . 2]" 1
558 1 27 ASP H 1 42 TRP HZ2 . . 5.500 5.045 4.497 5.407 . 0 0 "[ . 1 . 2]" 1
559 1 27 ASP HA 1 28 GLY H . . 2.940 2.156 2.143 2.187 . 0 0 "[ . 1 . 2]" 1
560 1 27 ASP HA 1 28 GLY HA2 . . 5.100 4.398 4.381 4.419 . 0 0 "[ . 1 . 2]" 1
561 1 27 ASP HA 1 28 GLY QA . . 4.270 3.910 3.890 3.952 . 0 0 "[ . 1 . 2]" 1
562 1 27 ASP HA 1 28 GLY HA3 . . 5.100 4.380 4.336 4.453 . 0 0 "[ . 1 . 2]" 1
563 1 27 ASP HA 1 29 SER H . . 4.230 3.730 3.465 4.105 . 0 0 "[ . 1 . 2]" 1
564 1 27 ASP HA 1 42 TRP HZ2 . . 4.810 4.137 3.637 4.662 . 0 0 "[ . 1 . 2]" 1
565 1 27 ASP HA 1 60 VAL HA . . 3.560 2.250 1.999 2.937 . 0 0 "[ . 1 . 2]" 1
566 1 27 ASP HA 1 60 VAL MG1 . . 3.690 2.847 2.344 3.666 . 0 0 "[ . 1 . 2]" 1
567 1 27 ASP HA 1 60 VAL MG2 . . 3.690 2.372 1.976 2.928 . 0 0 "[ . 1 . 2]" 1
568 1 27 ASP HA 1 61 ALA H . . 4.530 3.637 3.181 4.518 . 0 0 "[ . 1 . 2]" 1
569 1 27 ASP QB 1 28 GLY H . . 4.370 3.512 3.155 3.945 . 0 0 "[ . 1 . 2]" 1
570 1 27 ASP QB 1 29 SER H . . 5.270 3.413 2.874 4.168 . 0 0 "[ . 1 . 2]" 1
571 1 27 ASP QB 1 60 VAL QG . . 3.630 2.213 1.692 3.157 . 0 0 "[ . 1 . 2]" 1
572 1 27 ASP HB2 1 28 GLY H . . 5.210 3.746 3.245 4.472 . 0 0 "[ . 1 . 2]" 1
573 1 27 ASP HB2 1 60 VAL MG1 . . 5.140 3.287 2.633 4.828 . 0 0 "[ . 1 . 2]" 1
574 1 27 ASP HB2 1 60 VAL MG2 . . 5.140 2.493 1.851 3.666 . 0 0 "[ . 1 . 2]" 1
575 1 27 ASP HB3 1 28 GLY H . . 5.210 4.374 4.153 4.542 . 0 0 "[ . 1 . 2]" 1
576 1 27 ASP HB3 1 60 VAL MG1 . . 5.140 3.318 2.203 5.030 . 0 0 "[ . 1 . 2]" 1
577 1 27 ASP HB3 1 60 VAL MG2 . . 5.140 3.217 2.243 4.291 . 0 0 "[ . 1 . 2]" 1
578 1 28 GLY H 1 29 SER H . . 3.610 2.624 2.042 2.904 . 0 0 "[ . 1 . 2]" 1
579 1 28 GLY H 1 29 SER HA . . 4.930 4.492 4.206 4.727 . 0 0 "[ . 1 . 2]" 1
580 1 28 GLY H 1 42 TRP HZ2 . . 3.440 3.132 2.692 3.438 . 0 0 "[ . 1 . 2]" 1
581 1 28 GLY H 1 59 SER HA . . 5.140 4.032 3.652 4.548 . 0 0 "[ . 1 . 2]" 1
582 1 28 GLY H 1 59 SER QB . . 5.180 3.546 2.755 4.104 . 0 0 "[ . 1 . 2]" 1
583 1 28 GLY H 1 60 VAL HA . . 3.840 3.122 2.571 3.424 . 0 0 "[ . 1 . 2]" 1
584 1 28 GLY H 1 60 VAL MG1 . . 4.930 4.457 4.082 4.896 . 0 0 "[ . 1 . 2]" 1
585 1 28 GLY H 1 60 VAL QG . . 3.770 3.047 2.488 3.639 . 0 0 "[ . 1 . 2]" 1
586 1 28 GLY H 1 60 VAL MG2 . . 4.930 3.110 2.510 3.830 . 0 0 "[ . 1 . 2]" 1
587 1 28 GLY H 1 61 ALA H . . 5.030 4.628 4.271 4.989 . 0 0 "[ . 1 . 2]" 1
588 1 28 GLY H 1 75 LEU QD . . 5.050 3.882 3.505 4.218 . 0 0 "[ . 1 . 2]" 1
589 1 28 GLY QA 1 30 LYS H . . 4.850 3.324 2.896 3.854 . 0 0 "[ . 1 . 2]" 1
590 1 28 GLY QA 1 42 TRP HZ2 . . 3.260 2.549 2.148 3.019 . 0 0 "[ . 1 . 2]" 1
591 1 28 GLY QA 1 60 VAL HA . . 5.340 4.922 4.459 5.272 . 0 0 "[ . 1 . 2]" 1
592 1 28 GLY QA 1 75 LEU QD . . 3.250 2.333 1.856 2.683 . 0 0 "[ . 1 . 2]" 1
593 1 28 GLY HA2 1 42 TRP HZ2 . . 3.780 3.591 2.831 3.780 . 0 0 "[ . 1 . 2]" 1
594 1 28 GLY HA3 1 42 TRP HZ2 . . 3.780 2.618 2.178 3.216 . 0 0 "[ . 1 . 2]" 1
595 1 29 SER H 1 29 SER HB2 . . 4.050 2.804 2.192 3.607 . 0 0 "[ . 1 . 2]" 1
596 1 29 SER H 1 29 SER QB . . 3.390 2.316 2.170 2.592 . 0 0 "[ . 1 . 2]" 1
597 1 29 SER H 1 29 SER HB3 . . 4.050 2.789 2.320 3.546 . 0 0 "[ . 1 . 2]" 1
598 1 29 SER H 1 30 LYS H . . 3.810 2.701 2.406 3.398 . 0 0 "[ . 1 . 2]" 1
599 1 29 SER H 1 59 SER QB . . 4.580 3.771 3.053 4.355 . 0 0 "[ . 1 . 2]" 1
600 1 29 SER H 1 60 VAL QG . . 4.330 3.680 3.072 4.331 0.001 9 0 "[ . 1 . 2]" 1
601 1 29 SER HA 1 31 SER H . . 4.950 3.673 3.360 3.958 . 0 0 "[ . 1 . 2]" 1
602 1 29 SER HA 1 59 SER QB . . 3.640 3.084 2.059 3.498 . 0 0 "[ . 1 . 2]" 1
603 1 29 SER QB 1 59 SER QB . . 4.300 3.428 2.098 4.284 . 0 0 "[ . 1 . 2]" 1
604 1 29 SER QB 1 60 VAL QG . . 3.920 3.514 3.061 3.863 . 0 0 "[ . 1 . 2]" 1
605 1 29 SER HB2 1 30 LYS H . . 4.740 3.802 2.878 4.621 . 0 0 "[ . 1 . 2]" 1
606 1 29 SER HB3 1 30 LYS H . . 4.740 3.559 2.597 4.290 . 0 0 "[ . 1 . 2]" 1
607 1 30 LYS H 1 30 LYS HB2 . . 3.800 2.461 2.275 3.659 . 0 0 "[ . 1 . 2]" 1
608 1 30 LYS H 1 30 LYS QB . . 3.100 2.376 2.250 2.633 . 0 0 "[ . 1 . 2]" 1
609 1 30 LYS H 1 30 LYS HB3 . . 3.800 3.563 2.642 3.805 0.005 9 0 "[ . 1 . 2]" 1
610 1 30 LYS H 1 30 LYS QD . . 4.970 3.764 1.889 4.717 . 0 0 "[ . 1 . 2]" 1
611 1 30 LYS H 1 30 LYS HG2 . . 4.060 3.439 2.446 4.071 0.011 7 0 "[ . 1 . 2]" 1
612 1 30 LYS H 1 30 LYS QG . . 3.510 2.795 2.346 3.402 . 0 0 "[ . 1 . 2]" 1
613 1 30 LYS H 1 30 LYS HG3 . . 4.060 3.260 2.390 4.062 0.002 9 0 "[ . 1 . 2]" 1
614 1 30 LYS H 1 31 SER H . . 3.700 3.188 2.243 3.613 . 0 0 "[ . 1 . 2]" 1
615 1 30 LYS H 1 31 SER HA . . 5.500 4.876 4.266 5.468 . 0 0 "[ . 1 . 2]" 1
616 1 30 LYS HA 1 30 LYS QD . . 4.210 3.313 2.152 4.226 0.016 16 0 "[ . 1 . 2]" 1
617 1 30 LYS HA 1 30 LYS HG2 . . 3.940 2.817 2.233 3.950 0.010 16 0 "[ . 1 . 2]" 1
618 1 30 LYS HA 1 30 LYS QG . . 3.370 2.497 2.196 3.333 . 0 0 "[ . 1 . 2]" 1
619 1 30 LYS HA 1 30 LYS HG3 . . 3.940 3.164 2.310 3.807 . 0 0 "[ . 1 . 2]" 1
620 1 30 LYS QB 1 31 SER H . . 4.360 3.776 2.616 4.048 . 0 0 "[ . 1 . 2]" 1
621 1 30 LYS QB 1 31 SER HA . . 5.050 4.339 3.852 4.958 . 0 0 "[ . 1 . 2]" 1
622 1 30 LYS HB2 1 31 SER H . . 4.980 4.193 2.709 4.519 . 0 0 "[ . 1 . 2]" 1
623 1 30 LYS HB3 1 31 SER H . . 4.980 4.311 3.452 4.571 . 0 0 "[ . 1 . 2]" 1
624 1 31 SER H 1 31 SER QB . . 3.620 2.445 2.227 3.042 . 0 0 "[ . 1 . 2]" 1
625 1 31 SER H 1 32 SER H . . 4.920 3.754 2.286 4.634 . 0 0 "[ . 1 . 2]" 1
626 1 31 SER QB 1 40 TYR QE . . 4.190 3.542 2.865 4.189 . 0 0 "[ . 1 . 2]" 1
627 1 31 SER QB 1 77 VAL QG . . 4.080 3.136 2.168 3.845 . 0 0 "[ . 1 . 2]" 1
628 1 31 SER HB2 1 40 TYR QE . . 5.000 4.149 3.287 4.939 . 0 0 "[ . 1 . 2]" 1
629 1 31 SER HB2 1 77 VAL MG1 . . 5.350 4.152 2.567 5.125 . 0 0 "[ . 1 . 2]" 1
630 1 31 SER HB2 1 77 VAL MG2 . . 5.350 3.825 2.423 4.648 . 0 0 "[ . 1 . 2]" 1
631 1 31 SER HB3 1 40 TYR QE . . 5.000 4.071 3.000 4.822 . 0 0 "[ . 1 . 2]" 1
632 1 31 SER HB3 1 77 VAL MG1 . . 5.350 4.335 3.244 5.212 . 0 0 "[ . 1 . 2]" 1
633 1 31 SER HB3 1 77 VAL MG2 . . 5.350 4.095 2.306 5.019 . 0 0 "[ . 1 . 2]" 1
634 1 33 ASP QB 1 34 ASP H . . 3.990 2.917 2.105 4.013 0.023 14 0 "[ . 1 . 2]" 1
635 1 34 ASP H 1 34 ASP HB2 . . 4.070 2.872 2.223 3.794 . 0 0 "[ . 1 . 2]" 1
636 1 34 ASP H 1 34 ASP QB . . 3.560 2.609 2.164 3.314 . 0 0 "[ . 1 . 2]" 1
637 1 34 ASP H 1 34 ASP HB3 . . 4.070 3.333 2.309 3.952 . 0 0 "[ . 1 . 2]" 1
638 1 35 GLN HA 1 35 GLN QG . . 3.830 2.590 2.140 3.339 . 0 0 "[ . 1 . 2]" 1
639 1 36 LYS H 1 36 LYS HG2 . . 5.090 3.846 2.060 4.767 . 0 0 "[ . 1 . 2]" 1
640 1 36 LYS H 1 36 LYS QG . . 4.380 3.058 1.917 4.133 . 0 0 "[ . 1 . 2]" 1
641 1 36 LYS H 1 36 LYS HG3 . . 5.090 3.427 1.927 4.674 . 0 0 "[ . 1 . 2]" 1
642 1 36 LYS HA 1 36 LYS QD . . 4.310 3.487 2.042 4.299 . 0 0 "[ . 1 . 2]" 1
643 1 36 LYS HA 1 36 LYS HG2 . . 4.200 3.173 2.324 4.224 0.024 3 0 "[ . 1 . 2]" 1
644 1 36 LYS HA 1 36 LYS QG . . 3.680 2.635 2.181 3.432 . 0 0 "[ . 1 . 2]" 1
645 1 36 LYS HA 1 36 LYS HG3 . . 4.200 3.012 2.220 3.837 . 0 0 "[ . 1 . 2]" 1
646 1 36 LYS HA 1 37 ILE H . . 3.440 2.421 2.142 3.435 . 0 0 "[ . 1 . 2]" 1
647 1 36 LYS QB 1 36 LYS QE . . 4.460 3.022 2.120 3.820 . 0 0 "[ . 1 . 2]" 1
648 1 36 LYS HB2 1 36 LYS QE . . 5.140 3.540 2.315 4.403 . 0 0 "[ . 1 . 2]" 1
649 1 36 LYS HB3 1 36 LYS QE . . 5.140 3.484 2.142 4.586 . 0 0 "[ . 1 . 2]" 1
650 1 36 LYS QE 1 36 LYS HG2 . . 3.890 2.537 2.069 3.339 . 0 0 "[ . 1 . 2]" 1
651 1 36 LYS QE 1 36 LYS HG3 . . 3.890 2.830 2.163 3.510 . 0 0 "[ . 1 . 2]" 1
652 1 37 ILE H 1 37 ILE HB . . 3.840 2.788 2.416 3.769 . 0 0 "[ . 1 . 2]" 1
653 1 37 ILE H 1 37 ILE QG . . 4.910 2.661 1.915 4.233 . 0 0 "[ . 1 . 2]" 1
654 1 37 ILE HA 1 37 ILE MD . . 4.370 3.100 1.944 4.154 . 0 0 "[ . 1 . 2]" 1
655 1 37 ILE HA 1 79 ASP HA . . 3.350 2.627 2.000 3.339 . 0 0 "[ . 1 . 2]" 1
656 1 37 ILE HA 1 79 ASP HB2 . . 5.500 4.737 3.606 5.502 0.002 5 0 "[ . 1 . 2]" 1
657 1 37 ILE HA 1 79 ASP QB . . 4.740 4.059 3.333 4.613 . 0 0 "[ . 1 . 2]" 1
658 1 37 ILE HA 1 79 ASP HB3 . . 5.500 4.614 3.783 5.451 . 0 0 "[ . 1 . 2]" 1
659 1 37 ILE HB 1 40 TYR QE . . 4.810 3.509 2.743 4.810 0.000 7 0 "[ . 1 . 2]" 1
660 1 37 ILE MD 1 79 ASP HA . . 4.650 4.185 3.004 4.652 0.002 7 0 "[ . 1 . 2]" 1
661 1 37 ILE MD 1 79 ASP QB . . 5.340 4.264 2.589 5.182 . 0 0 "[ . 1 . 2]" 1
662 1 38 ILE H 1 38 ILE QG . . 4.690 2.355 1.883 4.190 . 0 0 "[ . 1 . 2]" 1
663 1 38 ILE HA 1 38 ILE MD . . 4.200 3.979 2.421 4.172 . 0 0 "[ . 1 . 2]" 1
664 1 38 ILE MD 1 39 SER QB . . 5.340 4.238 2.576 5.213 . 0 0 "[ . 1 . 2]" 1
665 1 38 ILE MD 1 78 LYS HB2 . . 5.500 5.163 4.221 5.512 0.012 12 0 "[ . 1 . 2]" 1
666 1 38 ILE MD 1 78 LYS HB3 . . 4.950 4.707 3.709 4.964 0.014 12 0 "[ . 1 . 2]" 1
667 1 38 ILE MD 1 79 ASP HA . . 5.080 4.430 2.508 5.081 0.001 7 0 "[ . 1 . 2]" 1
668 1 38 ILE MD 1 80 GLU HA . . 3.620 2.928 2.111 3.448 . 0 0 "[ . 1 . 2]" 1
669 1 38 ILE MD 1 80 GLU QB . . 4.870 4.121 2.345 4.860 . 0 0 "[ . 1 . 2]" 1
670 1 38 ILE MD 1 82 ASN H . . 5.070 4.752 3.782 5.070 0.000 17 0 "[ . 1 . 2]" 1
671 1 38 ILE QG 1 39 SER QB . . 4.050 3.209 2.631 3.884 . 0 0 "[ . 1 . 2]" 1
672 1 38 ILE QG 1 78 LYS HB2 . . 5.340 4.434 3.730 5.184 . 0 0 "[ . 1 . 2]" 1
673 1 38 ILE QG 1 78 LYS HB3 . . 5.250 4.282 3.637 4.933 . 0 0 "[ . 1 . 2]" 1
674 1 38 ILE QG 1 79 ASP HA . . 4.330 3.541 2.279 4.341 0.011 12 0 "[ . 1 . 2]" 1
675 1 38 ILE QG 1 80 GLU HA . . 3.820 3.477 2.609 3.820 0.000 15 0 "[ . 1 . 2]" 1
676 1 38 ILE HG12 1 79 ASP HA . . 5.170 3.767 2.301 4.673 . 0 0 "[ . 1 . 2]" 1
677 1 38 ILE HG13 1 79 ASP HA . . 5.170 4.533 3.350 5.162 . 0 0 "[ . 1 . 2]" 1
678 1 38 ILE MG 1 39 SER QB . . 5.340 5.013 2.095 5.352 0.012 9 0 "[ . 1 . 2]" 1
679 1 38 ILE MG 1 80 GLU HA . . 4.460 4.254 3.601 4.468 0.008 12 0 "[ . 1 . 2]" 1
680 1 39 SER HA 1 40 TYR H . . 2.850 2.213 2.170 2.439 . 0 0 "[ . 1 . 2]" 1
681 1 39 SER HA 1 40 TYR HB2 . . 4.870 4.387 4.243 4.546 . 0 0 "[ . 1 . 2]" 1
682 1 39 SER HA 1 40 TYR QD . . 4.240 3.994 3.413 4.240 . 0 0 "[ . 1 . 2]" 1
683 1 39 SER QB 1 40 TYR H . . 3.670 3.360 2.987 3.619 . 0 0 "[ . 1 . 2]" 1
684 1 39 SER QB 1 78 LYS H . . 4.430 2.150 1.843 3.229 . 0 0 "[ . 1 . 2]" 1
685 1 39 SER QB 1 78 LYS HB2 . . 3.670 2.305 1.931 2.773 . 0 0 "[ . 1 . 2]" 1
686 1 39 SER QB 1 78 LYS HB3 . . 3.960 3.502 3.112 3.968 0.008 12 0 "[ . 1 . 2]" 1
687 1 39 SER HB2 1 40 TYR H . . 4.350 4.008 3.073 4.332 . 0 0 "[ . 1 . 2]" 1
688 1 39 SER HB2 1 78 LYS H . . 5.180 3.121 1.900 4.103 . 0 0 "[ . 1 . 2]" 1
689 1 39 SER HB2 1 78 LYS HB2 . . 4.200 2.735 2.000 3.528 . 0 0 "[ . 1 . 2]" 1
690 1 39 SER HB2 1 78 LYS HB3 . . 4.520 3.982 3.202 4.540 0.020 5 0 "[ . 1 . 2]" 1
691 1 39 SER HB3 1 40 TYR H . . 4.350 3.754 3.077 4.327 . 0 0 "[ . 1 . 2]" 1
692 1 39 SER HB3 1 78 LYS H . . 5.180 2.408 1.906 3.883 . 0 0 "[ . 1 . 2]" 1
693 1 39 SER HB3 1 78 LYS HB2 . . 4.200 2.617 2.005 3.194 . 0 0 "[ . 1 . 2]" 1
694 1 39 SER HB3 1 78 LYS HB3 . . 4.520 4.051 3.262 4.517 . 0 0 "[ . 1 . 2]" 1
695 1 40 TYR H 1 40 TYR HB2 . . 3.490 2.815 2.713 2.929 . 0 0 "[ . 1 . 2]" 1
696 1 40 TYR H 1 40 TYR HB3 . . 4.090 3.865 3.754 3.939 . 0 0 "[ . 1 . 2]" 1
697 1 40 TYR H 1 40 TYR QD . . 3.940 3.602 3.158 3.837 . 0 0 "[ . 1 . 2]" 1
698 1 40 TYR HA 1 40 TYR QD . . 3.930 2.615 2.359 2.972 . 0 0 "[ . 1 . 2]" 1
699 1 40 TYR HA 1 41 LEU H . . 2.860 2.155 2.138 2.194 . 0 0 "[ . 1 . 2]" 1
700 1 40 TYR HA 1 75 LEU QD . . 3.630 3.020 2.571 3.399 . 0 0 "[ . 1 . 2]" 1
701 1 40 TYR HA 1 77 VAL HA . . 3.770 3.267 3.072 3.754 . 0 0 "[ . 1 . 2]" 1
702 1 40 TYR HA 1 77 VAL MG1 . . 5.020 2.444 2.014 2.836 . 0 0 "[ . 1 . 2]" 1
703 1 40 TYR HA 1 77 VAL QG . . 3.570 2.437 2.012 2.819 . 0 0 "[ . 1 . 2]" 1
704 1 40 TYR HA 1 77 VAL MG2 . . 5.020 4.877 4.444 5.026 0.006 12 0 "[ . 1 . 2]" 1
705 1 40 TYR HB2 1 41 LEU H . . 4.380 4.260 4.060 4.372 . 0 0 "[ . 1 . 2]" 1
706 1 40 TYR HB2 1 57 ASN HA . . 4.550 4.290 3.835 4.550 . 15 0 "[ . 1 . 2]" 1
707 1 40 TYR HB2 1 58 SER H . . 4.570 4.115 3.623 4.438 . 0 0 "[ . 1 . 2]" 1
708 1 40 TYR HB2 1 59 SER H . . 4.890 3.575 2.800 4.224 . 0 0 "[ . 1 . 2]" 1
709 1 40 TYR HB2 1 59 SER HA . . 4.960 3.775 3.125 4.493 . 0 0 "[ . 1 . 2]" 1
710 1 40 TYR HB2 1 75 LEU QD . . 4.990 4.604 4.179 4.849 . 0 0 "[ . 1 . 2]" 1
711 1 40 TYR HB3 1 41 LEU H . . 3.990 3.303 3.060 3.511 . 0 0 "[ . 1 . 2]" 1
712 1 40 TYR HB3 1 58 SER H . . 4.650 3.944 3.548 4.497 . 0 0 "[ . 1 . 2]" 1
713 1 40 TYR HB3 1 59 SER HA . . 4.350 2.736 2.043 3.275 . 0 0 "[ . 1 . 2]" 1
714 1 40 TYR HB3 1 75 LEU QD . . 3.720 3.335 2.843 3.644 . 0 0 "[ . 1 . 2]" 1
715 1 40 TYR QD 1 41 LEU H . . 4.580 3.834 3.377 4.282 . 0 0 "[ . 1 . 2]" 1
716 1 40 TYR QD 1 59 SER H . . 4.340 3.513 3.005 3.991 . 0 0 "[ . 1 . 2]" 1
717 1 40 TYR QD 1 59 SER HA . . 3.930 2.704 2.147 3.228 . 0 0 "[ . 1 . 2]" 1
718 1 40 TYR QD 1 59 SER HB2 . . 5.320 4.183 2.883 4.764 . 0 0 "[ . 1 . 2]" 1
719 1 40 TYR QD 1 59 SER QB . . 4.630 3.317 2.830 3.813 . 0 0 "[ . 1 . 2]" 1
720 1 40 TYR QD 1 59 SER HB3 . . 5.320 3.622 2.932 4.622 . 0 0 "[ . 1 . 2]" 1
721 1 40 TYR QD 1 75 LEU MD1 . . 3.820 2.515 2.066 2.990 . 0 0 "[ . 1 . 2]" 1
722 1 40 TYR QD 1 75 LEU QD . . 2.970 2.455 2.028 2.848 . 0 0 "[ . 1 . 2]" 1
723 1 40 TYR QD 1 75 LEU MD2 . . 3.820 3.531 2.958 3.765 . 0 0 "[ . 1 . 2]" 1
724 1 40 TYR QD 1 75 LEU HG . . 5.340 4.534 3.803 4.929 . 0 0 "[ . 1 . 2]" 1
725 1 40 TYR QD 1 77 VAL MG1 . . 4.980 2.300 1.931 2.685 . 0 0 "[ . 1 . 2]" 1
726 1 40 TYR QD 1 77 VAL QG . . 3.550 2.294 1.928 2.674 . 0 0 "[ . 1 . 2]" 1
727 1 40 TYR QD 1 77 VAL MG2 . . 4.980 4.645 4.265 4.954 . 0 0 "[ . 1 . 2]" 1
728 1 40 TYR QE 1 59 SER H . . 4.690 4.464 4.109 4.689 . 0 0 "[ . 1 . 2]" 1
729 1 40 TYR QE 1 59 SER HA . . 4.550 3.662 2.998 4.314 . 0 0 "[ . 1 . 2]" 1
730 1 40 TYR QE 1 59 SER HB2 . . 4.440 3.831 2.846 4.443 0.003 7 0 "[ . 1 . 2]" 1
731 1 40 TYR QE 1 59 SER QB . . 3.890 3.005 2.727 3.313 . 0 0 "[ . 1 . 2]" 1
732 1 40 TYR QE 1 59 SER HB3 . . 4.440 3.296 2.757 4.337 . 0 0 "[ . 1 . 2]" 1
733 1 40 TYR QE 1 75 LEU MD1 . . 4.620 4.091 3.297 4.596 . 0 0 "[ . 1 . 2]" 1
734 1 40 TYR QE 1 75 LEU MD2 . . 4.620 3.987 3.089 4.473 . 0 0 "[ . 1 . 2]" 1
735 1 40 TYR QE 1 77 VAL QG . . 4.030 2.849 2.126 3.386 . 0 0 "[ . 1 . 2]" 1
736 1 41 LEU H 1 41 LEU HB2 . . 3.750 3.194 3.039 3.422 . 0 0 "[ . 1 . 2]" 1
737 1 41 LEU H 1 41 LEU HB3 . . 3.490 2.812 2.665 3.019 . 0 0 "[ . 1 . 2]" 1
738 1 41 LEU H 1 41 LEU MD1 . . 4.710 4.337 3.661 4.545 . 0 0 "[ . 1 . 2]" 1
739 1 41 LEU H 1 41 LEU MD2 . . 4.710 4.578 4.290 4.678 . 0 0 "[ . 1 . 2]" 1
740 1 41 LEU H 1 42 TRP H . . 4.440 4.321 4.150 4.411 . 0 0 "[ . 1 . 2]" 1
741 1 41 LEU H 1 75 LEU HA . . 5.140 4.327 4.013 4.576 . 0 0 "[ . 1 . 2]" 1
742 1 41 LEU H 1 75 LEU QD . . 3.270 2.372 1.939 2.987 . 0 0 "[ . 1 . 2]" 1
743 1 41 LEU H 1 75 LEU HG . . 5.500 4.294 2.657 4.816 . 0 0 "[ . 1 . 2]" 1
744 1 41 LEU H 1 76 THR H . . 3.730 3.553 3.009 3.730 0.000 16 0 "[ . 1 . 2]" 1
745 1 41 LEU H 1 76 THR HB . . 4.700 4.426 3.997 4.703 0.003 15 0 "[ . 1 . 2]" 1
746 1 41 LEU H 1 77 VAL HA . . 4.210 3.950 3.670 4.193 . 0 0 "[ . 1 . 2]" 1
747 1 41 LEU H 1 77 VAL QG . . 4.120 2.976 2.341 3.453 . 0 0 "[ . 1 . 2]" 1
748 1 41 LEU HA 1 41 LEU MD1 . . 4.260 2.255 1.952 3.277 . 0 0 "[ . 1 . 2]" 1
749 1 41 LEU HA 1 41 LEU QD . . 2.930 2.177 1.947 2.452 . 0 0 "[ . 1 . 2]" 1
750 1 41 LEU HA 1 41 LEU MD2 . . 4.260 3.793 1.975 3.982 . 0 0 "[ . 1 . 2]" 1
751 1 41 LEU HA 1 42 TRP H . . 2.790 2.205 2.143 2.254 . 0 0 "[ . 1 . 2]" 1
752 1 41 LEU HA 1 42 TRP HB2 . . 4.550 4.309 4.223 4.399 . 0 0 "[ . 1 . 2]" 1
753 1 41 LEU HA 1 56 ALA MB . . 4.510 3.996 3.774 4.293 . 0 0 "[ . 1 . 2]" 1
754 1 41 LEU HA 1 57 ASN HA . . 3.430 2.844 2.384 3.150 . 0 0 "[ . 1 . 2]" 1
755 1 41 LEU HA 1 58 SER H . . 5.140 4.447 4.060 4.765 . 0 0 "[ . 1 . 2]" 1
756 1 41 LEU HB2 1 42 TRP H . . 5.130 4.121 3.911 4.300 . 0 0 "[ . 1 . 2]" 1
757 1 41 LEU HB2 1 57 ASN HA . . 4.910 4.529 3.949 4.910 0.000 19 0 "[ . 1 . 2]" 1
758 1 41 LEU HB2 1 76 THR H . . 4.870 4.543 4.232 4.861 . 0 0 "[ . 1 . 2]" 1
759 1 41 LEU HB2 1 76 THR HB . . 4.210 3.753 3.256 4.210 0.000 15 0 "[ . 1 . 2]" 1
760 1 41 LEU HB3 1 41 LEU MD1 . . 3.600 3.130 2.174 3.195 . 0 0 "[ . 1 . 2]" 1
761 1 41 LEU HB3 1 41 LEU QD . . 2.930 2.179 1.981 2.295 . 0 0 "[ . 1 . 2]" 1
762 1 41 LEU HB3 1 41 LEU MD2 . . 3.600 2.269 2.003 3.177 . 0 0 "[ . 1 . 2]" 1
763 1 41 LEU HB3 1 42 TRP H . . 5.090 3.982 3.775 4.234 . 0 0 "[ . 1 . 2]" 1
764 1 41 LEU HB3 1 76 THR H . . 4.250 2.857 2.510 3.202 . 0 0 "[ . 1 . 2]" 1
765 1 41 LEU HB3 1 76 THR HB . . 3.470 2.437 2.100 2.907 . 0 0 "[ . 1 . 2]" 1
766 1 41 LEU QD 1 42 TRP H . . 3.290 2.400 1.910 2.884 . 0 0 "[ . 1 . 2]" 1
767 1 41 LEU QD 1 42 TRP HA . . 5.020 4.209 2.554 4.582 . 0 0 "[ . 1 . 2]" 1
768 1 41 LEU QD 1 42 TRP HB2 . . 5.430 4.465 3.655 4.789 . 0 0 "[ . 1 . 2]" 1
769 1 41 LEU QD 1 43 GLU HB3 . . 5.200 4.564 3.618 5.126 . 0 0 "[ . 1 . 2]" 1
770 1 41 LEU QD 1 43 GLU QG . . 3.310 2.529 1.792 2.996 . 0 0 "[ . 1 . 2]" 1
771 1 41 LEU QD 1 56 ALA MB . . 3.470 3.176 2.898 3.374 . 0 0 "[ . 1 . 2]" 1
772 1 41 LEU QD 1 57 ASN H . . 5.110 4.672 4.276 5.099 . 0 0 "[ . 1 . 2]" 1
773 1 41 LEU QD 1 57 ASN HA . . 3.850 3.244 2.658 3.732 . 0 0 "[ . 1 . 2]" 1
774 1 41 LEU QD 1 57 ASN QB . . 5.280 4.112 3.487 4.480 . 0 0 "[ . 1 . 2]" 1
775 1 41 LEU QD 1 57 ASN QD . . 3.870 3.043 2.054 3.666 . 0 0 "[ . 1 . 2]" 1
776 1 41 LEU QD 1 76 THR H . . 4.400 3.697 2.195 4.395 . 0 0 "[ . 1 . 2]" 1
777 1 41 LEU QD 1 76 THR HB . . 4.020 2.542 2.000 3.137 . 0 0 "[ . 1 . 2]" 1
778 1 41 LEU MD1 1 42 TRP H . . 4.800 2.448 2.018 2.941 . 0 0 "[ . 1 . 2]" 1
779 1 41 LEU MD1 1 43 GLU HG2 . . 4.370 3.434 2.189 4.271 . 0 0 "[ . 1 . 2]" 1
780 1 41 LEU MD1 1 43 GLU HG3 . . 4.370 3.138 2.660 3.810 . 0 0 "[ . 1 . 2]" 1
781 1 41 LEU MD2 1 42 TRP H . . 4.800 4.127 1.978 4.629 . 0 0 "[ . 1 . 2]" 1
782 1 41 LEU MD2 1 43 GLU HG2 . . 4.370 3.829 1.971 4.371 0.001 13 0 "[ . 1 . 2]" 1
783 1 41 LEU MD2 1 43 GLU HG3 . . 4.370 3.016 2.611 3.676 . 0 0 "[ . 1 . 2]" 1
784 1 41 LEU HG 1 42 TRP H . . 4.320 2.768 2.308 4.221 . 0 0 "[ . 1 . 2]" 1
785 1 41 LEU HG 1 43 GLU H . . 5.500 4.295 3.950 5.425 . 0 0 "[ . 1 . 2]" 1
786 1 41 LEU HG 1 43 GLU HG2 . . 4.120 3.478 2.520 4.086 . 0 0 "[ . 1 . 2]" 1
787 1 41 LEU HG 1 43 GLU QG . . 3.560 2.435 2.135 3.369 . 0 0 "[ . 1 . 2]" 1
788 1 41 LEU HG 1 43 GLU HG3 . . 4.120 2.663 2.150 3.844 . 0 0 "[ . 1 . 2]" 1
789 1 42 TRP H 1 42 TRP HB2 . . 3.210 2.604 2.476 2.689 . 0 0 "[ . 1 . 2]" 1
790 1 42 TRP H 1 42 TRP HB3 . . 3.880 3.733 3.669 3.790 . 0 0 "[ . 1 . 2]" 1
791 1 42 TRP H 1 42 TRP HD1 . . 3.910 3.646 3.368 3.858 . 0 0 "[ . 1 . 2]" 1
792 1 42 TRP H 1 56 ALA HA . . 4.130 3.712 3.396 3.986 . 0 0 "[ . 1 . 2]" 1
793 1 42 TRP H 1 56 ALA MB . . 3.600 2.583 2.330 2.839 . 0 0 "[ . 1 . 2]" 1
794 1 42 TRP H 1 57 ASN HA . . 4.250 4.043 3.639 4.251 0.001 4 0 "[ . 1 . 2]" 1
795 1 42 TRP H 1 75 LEU QD . . 4.840 4.494 4.133 4.815 . 0 0 "[ . 1 . 2]" 1
796 1 42 TRP HA 1 42 TRP HE3 . . 3.640 3.032 2.714 3.243 . 0 0 "[ . 1 . 2]" 1
797 1 42 TRP HA 1 43 GLU H . . 2.790 2.145 2.141 2.159 . 0 0 "[ . 1 . 2]" 1
798 1 42 TRP HA 1 53 LEU MD1 . . 5.190 4.734 4.288 4.899 . 0 0 "[ . 1 . 2]" 1
799 1 42 TRP HA 1 74 THR H . . 5.340 5.061 4.868 5.269 . 0 0 "[ . 1 . 2]" 1
800 1 42 TRP HA 1 75 LEU HA . . 3.390 2.907 2.498 3.228 . 0 0 "[ . 1 . 2]" 1
801 1 42 TRP HA 1 75 LEU QD . . 4.060 3.464 3.215 3.846 . 0 0 "[ . 1 . 2]" 1
802 1 42 TRP HA 1 76 THR H . . 4.340 3.974 3.468 4.332 . 0 0 "[ . 1 . 2]" 1
803 1 42 TRP HB2 1 43 GLU H . . 4.640 4.416 4.258 4.492 . 0 0 "[ . 1 . 2]" 1
804 1 42 TRP HB2 1 53 LEU MD1 . . 4.300 4.143 3.837 4.283 . 0 0 "[ . 1 . 2]" 1
805 1 42 TRP HB2 1 53 LEU MD2 . . 3.720 3.110 2.847 3.343 . 0 0 "[ . 1 . 2]" 1
806 1 42 TRP HB2 1 56 ALA HA . . 3.430 2.097 1.999 2.428 . 0 0 "[ . 1 . 2]" 1
807 1 42 TRP HB2 1 56 ALA MB . . 3.530 2.352 2.069 2.729 . 0 0 "[ . 1 . 2]" 1
808 1 42 TRP HB2 1 58 SER H . . 4.980 4.571 4.232 4.905 . 0 0 "[ . 1 . 2]" 1
809 1 42 TRP HB2 1 61 ALA MB . . 4.150 2.630 2.327 2.811 . 0 0 "[ . 1 . 2]" 1
810 1 42 TRP HB3 1 42 TRP HE3 . . 4.010 2.652 2.569 2.779 . 0 0 "[ . 1 . 2]" 1
811 1 42 TRP HB3 1 43 GLU H . . 3.850 3.517 3.255 3.677 . 0 0 "[ . 1 . 2]" 1
812 1 42 TRP HB3 1 53 LEU MD1 . . 3.850 3.357 2.988 3.518 . 0 0 "[ . 1 . 2]" 1
813 1 42 TRP HB3 1 53 LEU MD2 . . 3.590 2.445 2.187 2.644 . 0 0 "[ . 1 . 2]" 1
814 1 42 TRP HB3 1 56 ALA HA . . 4.080 3.564 3.393 3.988 . 0 0 "[ . 1 . 2]" 1
815 1 42 TRP HB3 1 56 ALA MB . . 4.120 3.376 2.972 3.737 . 0 0 "[ . 1 . 2]" 1
816 1 42 TRP HB3 1 61 ALA MB . . 4.420 2.879 2.622 3.137 . 0 0 "[ . 1 . 2]" 1
817 1 42 TRP HD1 1 56 ALA HA . . 3.580 3.077 2.740 3.210 . 0 0 "[ . 1 . 2]" 1
818 1 42 TRP HD1 1 56 ALA MB . . 4.670 4.101 3.914 4.292 . 0 0 "[ . 1 . 2]" 1
819 1 42 TRP HD1 1 58 SER H . . 3.820 3.138 2.726 3.538 . 0 0 "[ . 1 . 2]" 1
820 1 42 TRP HD1 1 61 ALA H . . 4.950 4.566 4.134 4.846 . 0 0 "[ . 1 . 2]" 1
821 1 42 TRP HD1 1 61 ALA MB . . 3.490 2.698 2.397 3.058 . 0 0 "[ . 1 . 2]" 1
822 1 42 TRP HD1 1 75 LEU QD . . 4.350 3.423 3.011 3.779 . 0 0 "[ . 1 . 2]" 1
823 1 42 TRP HE1 1 56 ALA HA . . 5.500 5.398 5.115 5.501 0.001 4 0 "[ . 1 . 2]" 1
824 1 42 TRP HE1 1 59 SER HA . . 3.650 3.081 1.968 3.612 . 0 0 "[ . 1 . 2]" 1
825 1 42 TRP HE1 1 60 VAL H . . 4.930 4.381 3.872 4.757 . 0 0 "[ . 1 . 2]" 1
826 1 42 TRP HE1 1 60 VAL HA . . 4.120 3.747 3.220 4.120 . 0 0 "[ . 1 . 2]" 1
827 1 42 TRP HE1 1 61 ALA H . . 4.260 3.857 3.495 4.094 . 0 0 "[ . 1 . 2]" 1
828 1 42 TRP HE1 1 61 ALA MB . . 4.130 3.586 3.309 3.916 . 0 0 "[ . 1 . 2]" 1
829 1 42 TRP HE1 1 75 LEU MD1 . . 4.800 2.612 2.268 3.028 . 0 0 "[ . 1 . 2]" 1
830 1 42 TRP HE1 1 75 LEU QD . . 3.610 2.545 2.263 2.882 . 0 0 "[ . 1 . 2]" 1
831 1 42 TRP HE1 1 75 LEU MD2 . . 4.800 3.758 2.993 4.801 0.001 15 0 "[ . 1 . 2]" 1
832 1 42 TRP HE3 1 43 GLU H . . 3.920 3.619 3.401 3.889 . 0 0 "[ . 1 . 2]" 1
833 1 42 TRP HE3 1 53 LEU MD2 . . 4.940 3.799 3.456 4.119 . 0 0 "[ . 1 . 2]" 1
834 1 42 TRP HE3 1 61 ALA MB . . 5.020 3.934 3.624 4.234 . 0 0 "[ . 1 . 2]" 1
835 1 42 TRP HE3 1 73 PHE HA . . 4.990 4.652 4.373 4.990 . 0 0 "[ . 1 . 2]" 1
836 1 42 TRP HE3 1 73 PHE HB2 . . 4.250 3.426 3.232 3.685 . 0 0 "[ . 1 . 2]" 1
837 1 42 TRP HE3 1 73 PHE HB3 . . 3.870 2.460 2.227 2.747 . 0 0 "[ . 1 . 2]" 1
838 1 42 TRP HE3 1 74 THR H . . 5.080 4.699 4.478 5.068 . 0 0 "[ . 1 . 2]" 1
839 1 42 TRP HE3 1 75 LEU HA . . 4.560 4.151 3.738 4.489 . 0 0 "[ . 1 . 2]" 1
840 1 42 TRP HE3 1 75 LEU QB . . 5.300 3.595 3.142 4.096 . 0 0 "[ . 1 . 2]" 1
841 1 42 TRP HE3 1 75 LEU QD . . 5.440 4.136 3.799 4.384 . 0 0 "[ . 1 . 2]" 1
842 1 42 TRP HE3 1 89 VAL QG . . 4.970 4.376 4.167 4.642 . 0 0 "[ . 1 . 2]" 1
843 1 42 TRP HH2 1 75 LEU QB . . 5.190 3.162 2.752 3.500 . 0 0 "[ . 1 . 2]" 1
844 1 42 TRP HH2 1 75 LEU QD . . 4.730 3.005 2.425 3.643 . 0 0 "[ . 1 . 2]" 1
845 1 42 TRP HH2 1 89 VAL MG1 . . 5.220 3.552 3.347 3.724 . 0 0 "[ . 1 . 2]" 1
846 1 42 TRP HH2 1 89 VAL QG . . 3.690 3.490 3.291 3.647 . 0 0 "[ . 1 . 2]" 1
847 1 42 TRP HH2 1 89 VAL MG2 . . 5.220 5.122 4.737 5.219 . 0 0 "[ . 1 . 2]" 1
848 1 42 TRP HZ2 1 60 VAL HA . . 5.030 4.490 3.765 4.886 . 0 0 "[ . 1 . 2]" 1
849 1 42 TRP HZ2 1 61 ALA H . . 5.040 4.615 4.273 4.973 . 0 0 "[ . 1 . 2]" 1
850 1 42 TRP HZ2 1 75 LEU HB2 . . 5.500 3.569 3.141 3.971 . 0 0 "[ . 1 . 2]" 1
851 1 42 TRP HZ2 1 75 LEU HB3 . . 5.500 4.564 4.038 5.025 . 0 0 "[ . 1 . 2]" 1
852 1 42 TRP HZ2 1 75 LEU MD1 . . 4.130 2.996 2.239 3.761 . 0 0 "[ . 1 . 2]" 1
853 1 42 TRP HZ2 1 75 LEU MD2 . . 4.130 2.571 2.019 4.136 0.006 15 0 "[ . 1 . 2]" 1
854 1 42 TRP HZ3 1 73 PHE HB2 . . 4.170 2.898 2.534 3.254 . 0 0 "[ . 1 . 2]" 1
855 1 42 TRP HZ3 1 73 PHE HB3 . . 4.230 3.308 2.736 3.582 . 0 0 "[ . 1 . 2]" 1
856 1 42 TRP HZ3 1 75 LEU HB2 . . 5.050 3.398 2.935 3.912 . 0 0 "[ . 1 . 2]" 1
857 1 42 TRP HZ3 1 75 LEU HB3 . . 5.050 4.276 3.510 5.047 . 0 0 "[ . 1 . 2]" 1
858 1 42 TRP HZ3 1 89 VAL H . . 5.030 4.809 4.548 5.028 . 0 0 "[ . 1 . 2]" 1
859 1 42 TRP HZ3 1 89 VAL QG . . 3.110 2.596 2.350 2.793 . 0 0 "[ . 1 . 2]" 1
860 1 43 GLU H 1 43 GLU HB2 . . 3.660 2.822 2.613 3.083 . 0 0 "[ . 1 . 2]" 1
861 1 43 GLU H 1 43 GLU HB3 . . 4.060 3.873 3.741 3.949 . 0 0 "[ . 1 . 2]" 1
862 1 43 GLU H 1 43 GLU HG2 . . 4.410 3.814 3.113 4.364 . 0 0 "[ . 1 . 2]" 1
863 1 43 GLU H 1 43 GLU HG3 . . 4.410 3.588 2.996 4.389 . 0 0 "[ . 1 . 2]" 1
864 1 43 GLU H 1 45 THR MG . . 5.480 5.221 4.994 5.411 . 0 0 "[ . 1 . 2]" 1
865 1 43 GLU H 1 53 LEU MD1 . . 4.700 4.074 3.732 4.321 . 0 0 "[ . 1 . 2]" 1
866 1 43 GLU H 1 53 LEU MD2 . . 4.800 4.699 4.491 4.801 0.001 20 0 "[ . 1 . 2]" 1
867 1 43 GLU H 1 56 ALA MB . . 5.120 4.887 4.740 5.107 . 0 0 "[ . 1 . 2]" 1
868 1 43 GLU H 1 73 PHE HB3 . . 4.850 3.928 3.607 4.383 . 0 0 "[ . 1 . 2]" 1
869 1 43 GLU H 1 73 PHE QD . . 4.720 4.399 3.985 4.694 . 0 0 "[ . 1 . 2]" 1
870 1 43 GLU H 1 74 THR H . . 3.780 3.488 3.247 3.689 . 0 0 "[ . 1 . 2]" 1
871 1 43 GLU H 1 74 THR HB . . 4.470 4.361 4.197 4.467 . 0 0 "[ . 1 . 2]" 1
872 1 43 GLU H 1 74 THR MG . . 5.300 4.839 4.466 5.266 . 0 0 "[ . 1 . 2]" 1
873 1 43 GLU H 1 75 LEU HA . . 4.200 3.884 3.520 4.139 . 0 0 "[ . 1 . 2]" 1
874 1 43 GLU HA 1 43 GLU HG2 . . 3.940 2.624 2.396 3.708 . 0 0 "[ . 1 . 2]" 1
875 1 43 GLU HA 1 43 GLU QG . . 3.410 2.501 2.341 2.798 . 0 0 "[ . 1 . 2]" 1
876 1 43 GLU HA 1 43 GLU HG3 . . 3.940 3.365 2.722 3.816 . 0 0 "[ . 1 . 2]" 1
877 1 43 GLU HA 1 44 LYS H . . 2.790 2.245 2.186 2.301 . 0 0 "[ . 1 . 2]" 1
878 1 43 GLU HA 1 44 LYS QB . . 4.610 4.066 4.051 4.076 . 0 0 "[ . 1 . 2]" 1
879 1 43 GLU HA 1 53 LEU MD1 . . 3.630 2.474 2.235 2.746 . 0 0 "[ . 1 . 2]" 1
880 1 43 GLU HA 1 53 LEU MD2 . . 4.260 4.163 3.936 4.261 0.001 4 0 "[ . 1 . 2]" 1
881 1 43 GLU HA 1 56 ALA MB . . 4.940 4.238 4.091 4.418 . 0 0 "[ . 1 . 2]" 1
882 1 43 GLU HB2 1 44 LYS H . . 4.290 3.929 3.740 4.198 . 0 0 "[ . 1 . 2]" 1
883 1 43 GLU HB2 1 45 THR MG . . 4.430 4.237 3.905 4.396 . 0 0 "[ . 1 . 2]" 1
884 1 43 GLU HB2 1 74 THR H . . 4.720 4.352 4.061 4.668 . 0 0 "[ . 1 . 2]" 1
885 1 43 GLU HB2 1 74 THR HB . . 4.630 4.179 3.856 4.455 . 0 0 "[ . 1 . 2]" 1
886 1 43 GLU HB3 1 44 LYS H . . 3.220 2.863 2.678 3.097 . 0 0 "[ . 1 . 2]" 1
887 1 43 GLU HB3 1 45 THR MG . . 5.050 4.735 4.428 5.029 . 0 0 "[ . 1 . 2]" 1
888 1 43 GLU QG 1 44 LYS H . . 4.440 4.141 3.869 4.439 . 0 0 "[ . 1 . 2]" 1
889 1 43 GLU HG2 1 44 LYS H . . 5.280 4.415 4.034 5.211 . 0 0 "[ . 1 . 2]" 1
890 1 43 GLU HG3 1 44 LYS H . . 5.280 5.083 4.739 5.239 . 0 0 "[ . 1 . 2]" 1
891 1 44 LYS H 1 44 LYS HB2 . . 3.390 2.766 2.551 2.891 . 0 0 "[ . 1 . 2]" 1
892 1 44 LYS H 1 44 LYS QB . . 2.920 2.269 2.216 2.303 . 0 0 "[ . 1 . 2]" 1
893 1 44 LYS H 1 44 LYS HB3 . . 3.390 2.419 2.301 2.592 . 0 0 "[ . 1 . 2]" 1
894 1 44 LYS H 1 44 LYS QE . . 4.750 4.364 3.926 4.733 . 0 0 "[ . 1 . 2]" 1
895 1 44 LYS H 1 44 LYS HG2 . . 4.660 4.366 4.240 4.453 . 0 0 "[ . 1 . 2]" 1
896 1 44 LYS H 1 44 LYS HG3 . . 4.660 4.530 4.464 4.610 . 0 0 "[ . 1 . 2]" 1
897 1 44 LYS H 1 53 LEU MD1 . . 3.670 2.843 2.648 3.086 . 0 0 "[ . 1 . 2]" 1
898 1 44 LYS H 1 53 LEU MD2 . . 5.110 4.914 4.614 5.102 . 0 0 "[ . 1 . 2]" 1
899 1 44 LYS H 1 73 PHE QD . . 4.710 3.534 3.424 3.725 . 0 0 "[ . 1 . 2]" 1
900 1 44 LYS H 1 73 PHE QE . . 4.590 4.366 4.143 4.554 . 0 0 "[ . 1 . 2]" 1
901 1 44 LYS HA 1 44 LYS HG2 . . 3.610 3.281 2.660 3.538 . 0 0 "[ . 1 . 2]" 1
902 1 44 LYS HA 1 44 LYS QG . . 3.160 2.483 2.436 2.576 . 0 0 "[ . 1 . 2]" 1
903 1 44 LYS HA 1 44 LYS HG3 . . 3.610 2.592 2.500 2.829 . 0 0 "[ . 1 . 2]" 1
904 1 44 LYS HA 1 45 THR H . . 2.990 2.145 2.139 2.164 . 0 0 "[ . 1 . 2]" 1
905 1 44 LYS HA 1 46 GLN H . . 4.230 3.959 3.746 4.182 . 0 0 "[ . 1 . 2]" 1
906 1 44 LYS HA 1 73 PHE HA . . 3.310 2.128 2.007 2.335 . 0 0 "[ . 1 . 2]" 1
907 1 44 LYS HA 1 73 PHE QD . . 3.440 2.622 2.492 2.781 . 0 0 "[ . 1 . 2]" 1
908 1 44 LYS HA 1 73 PHE QE . . 4.320 3.944 3.730 4.125 . 0 0 "[ . 1 . 2]" 1
909 1 44 LYS HA 1 74 THR H . . 4.090 3.403 3.250 3.740 . 0 0 "[ . 1 . 2]" 1
910 1 44 LYS QB 1 44 LYS QD . . 3.310 2.229 2.036 2.482 . 0 0 "[ . 1 . 2]" 1
911 1 44 LYS QB 1 44 LYS QE . . 3.340 2.162 1.876 2.530 . 0 0 "[ . 1 . 2]" 1
912 1 44 LYS QB 1 45 THR H . . 4.420 3.880 3.813 3.943 . 0 0 "[ . 1 . 2]" 1
913 1 44 LYS QB 1 53 LEU MD1 . . 4.070 2.676 2.501 2.890 . 0 0 "[ . 1 . 2]" 1
914 1 44 LYS QB 1 73 PHE QD . . 4.060 2.585 2.402 2.892 . 0 0 "[ . 1 . 2]" 1
915 1 44 LYS QB 1 73 PHE QE . . 3.610 2.205 1.989 2.402 . 0 0 "[ . 1 . 2]" 1
916 1 44 LYS HB2 1 44 LYS HE2 . . 4.760 3.443 2.319 4.224 . 0 0 "[ . 1 . 2]" 1
917 1 44 LYS HB2 1 44 LYS HE3 . . 4.760 3.433 2.085 4.410 . 0 0 "[ . 1 . 2]" 1
918 1 44 LYS HB2 1 45 THR H . . 5.060 4.337 4.237 4.438 . 0 0 "[ . 1 . 2]" 1
919 1 44 LYS HB2 1 53 LEU MD1 . . 4.720 2.765 2.576 2.986 . 0 0 "[ . 1 . 2]" 1
920 1 44 LYS HB2 1 73 PHE QE . . 4.450 2.219 1.999 2.420 . 0 0 "[ . 1 . 2]" 1
921 1 44 LYS HB3 1 44 LYS HE2 . . 4.760 3.045 2.006 3.889 . 0 0 "[ . 1 . 2]" 1
922 1 44 LYS HB3 1 44 LYS HE3 . . 4.760 2.878 2.004 3.838 . 0 0 "[ . 1 . 2]" 1
923 1 44 LYS HB3 1 45 THR H . . 5.060 4.377 4.229 4.472 . 0 0 "[ . 1 . 2]" 1
924 1 44 LYS HB3 1 53 LEU MD1 . . 4.720 3.585 3.355 4.003 . 0 0 "[ . 1 . 2]" 1
925 1 44 LYS HB3 1 73 PHE QE . . 4.450 3.812 3.532 4.068 . 0 0 "[ . 1 . 2]" 1
926 1 44 LYS QD 1 46 GLN H . . 4.810 4.515 3.947 4.796 . 0 0 "[ . 1 . 2]" 1
927 1 44 LYS QD 1 47 GLY HA3 . . 4.710 2.730 2.430 2.980 . 0 0 "[ . 1 . 2]" 1
928 1 44 LYS QD 1 51 VAL QG . . 4.220 2.591 2.071 3.427 . 0 0 "[ . 1 . 2]" 1
929 1 44 LYS QD 1 71 TYR QD . . 3.480 2.017 1.898 2.321 . 0 0 "[ . 1 . 2]" 1
930 1 44 LYS HD2 1 71 TYR QD . . 4.030 2.385 2.002 3.961 . 0 0 "[ . 1 . 2]" 1
931 1 44 LYS HD2 1 71 TYR QE . . 4.460 3.887 3.538 4.462 0.002 9 0 "[ . 1 . 2]" 1
932 1 44 LYS HD3 1 71 TYR QD . . 4.030 2.383 2.008 2.688 . 0 0 "[ . 1 . 2]" 1
933 1 44 LYS HD3 1 71 TYR QE . . 4.460 3.997 3.227 4.421 . 0 0 "[ . 1 . 2]" 1
934 1 44 LYS QE 1 51 VAL H . . 4.930 3.895 3.418 4.889 . 0 0 "[ . 1 . 2]" 1
935 1 44 LYS QE 1 51 VAL QG . . 3.420 2.391 1.834 3.304 . 0 0 "[ . 1 . 2]" 1
936 1 44 LYS QE 1 71 TYR QD . . 4.030 3.208 1.989 3.823 . 0 0 "[ . 1 . 2]" 1
937 1 44 LYS QE 1 71 TYR QE . . 4.500 3.608 2.505 4.351 . 0 0 "[ . 1 . 2]" 1
938 1 44 LYS HE2 1 49 ASP HA . . 4.380 3.244 2.365 4.356 . 0 0 "[ . 1 . 2]" 1
939 1 44 LYS HE2 1 71 TYR QD . . 4.630 3.641 2.000 4.620 . 0 0 "[ . 1 . 2]" 1
940 1 44 LYS HE3 1 49 ASP HA . . 4.380 3.138 2.011 4.315 . 0 0 "[ . 1 . 2]" 1
941 1 44 LYS HE3 1 71 TYR QD . . 4.630 3.979 3.191 4.605 . 0 0 "[ . 1 . 2]" 1
942 1 44 LYS QG 1 45 THR H . . 3.760 3.069 2.780 3.300 . 0 0 "[ . 1 . 2]" 1
943 1 44 LYS QG 1 46 GLN H . . 3.420 2.895 2.521 3.161 . 0 0 "[ . 1 . 2]" 1
944 1 44 LYS QG 1 71 TYR QD . . 4.010 3.540 2.673 3.863 . 0 0 "[ . 1 . 2]" 1
945 1 44 LYS QG 1 72 VAL H . . 4.600 3.051 2.887 3.393 . 0 0 "[ . 1 . 2]" 1
946 1 44 LYS QG 1 73 PHE HA . . 4.650 3.795 3.611 4.023 . 0 0 "[ . 1 . 2]" 1
947 1 44 LYS QG 1 73 PHE QD . . 4.360 3.780 3.305 3.996 . 0 0 "[ . 1 . 2]" 1
948 1 44 LYS QG 1 73 PHE QE . . 4.070 3.635 2.979 3.905 . 0 0 "[ . 1 . 2]" 1
949 1 44 LYS HG2 1 45 THR H . . 4.470 3.689 2.946 3.966 . 0 0 "[ . 1 . 2]" 1
950 1 44 LYS HG2 1 46 GLN H . . 4.000 3.370 2.548 3.810 . 0 0 "[ . 1 . 2]" 1
951 1 44 LYS HG2 1 71 TYR QD . . 4.760 4.457 3.866 4.680 . 0 0 "[ . 1 . 2]" 1
952 1 44 LYS HG2 1 73 PHE QD . . 5.210 4.999 4.390 5.175 . 0 0 "[ . 1 . 2]" 1
953 1 44 LYS HG2 1 73 PHE QE . . 4.850 4.754 4.491 4.850 . 0 0 "[ . 1 . 2]" 1
954 1 44 LYS HG3 1 45 THR H . . 4.470 3.371 2.850 4.000 . 0 0 "[ . 1 . 2]" 1
955 1 44 LYS HG3 1 46 GLN H . . 4.000 3.289 2.737 4.000 0.000 9 0 "[ . 1 . 2]" 1
956 1 44 LYS HG3 1 71 TYR QD . . 4.760 3.728 2.724 4.168 . 0 0 "[ . 1 . 2]" 1
957 1 44 LYS HG3 1 73 PHE QD . . 5.210 3.914 3.418 4.162 . 0 0 "[ . 1 . 2]" 1
958 1 44 LYS HG3 1 73 PHE QE . . 4.850 3.781 3.024 4.118 . 0 0 "[ . 1 . 2]" 1
959 1 45 THR H 1 45 THR HB . . 3.590 3.529 3.509 3.589 . 0 0 "[ . 1 . 2]" 1
960 1 45 THR H 1 45 THR MG . . 3.700 2.914 2.673 3.060 . 0 0 "[ . 1 . 2]" 1
961 1 45 THR H 1 46 GLN H . . 2.730 2.526 2.348 2.636 . 0 0 "[ . 1 . 2]" 1
962 1 45 THR H 1 72 VAL H . . 4.760 4.522 4.365 4.659 . 0 0 "[ . 1 . 2]" 1
963 1 45 THR H 1 72 VAL HB . . 4.900 3.686 3.537 3.822 . 0 0 "[ . 1 . 2]" 1
964 1 45 THR H 1 72 VAL MG1 . . 4.520 3.830 3.624 4.009 . 0 0 "[ . 1 . 2]" 1
965 1 45 THR H 1 73 PHE HA . . 3.490 2.629 2.353 2.766 . 0 0 "[ . 1 . 2]" 1
966 1 45 THR H 1 73 PHE QD . . 5.110 4.505 4.360 4.652 . 0 0 "[ . 1 . 2]" 1
967 1 45 THR H 1 74 THR H . . 4.170 3.070 2.880 3.219 . 0 0 "[ . 1 . 2]" 1
968 1 45 THR HA 1 45 THR MG . . 3.080 2.111 2.013 2.219 . 0 0 "[ . 1 . 2]" 1
969 1 45 THR HA 1 73 PHE HA . . 5.500 5.382 5.096 5.500 0.000 3 0 "[ . 1 . 2]" 1
970 1 45 THR HA 1 74 THR HG1 . . 5.500 5.178 4.420 5.500 . 0 0 "[ . 1 . 2]" 1
971 1 45 THR HB 1 46 GLN H . . 3.530 3.215 2.996 3.455 . 0 0 "[ . 1 . 2]" 1
972 1 45 THR HB 1 46 GLN QG . . 4.690 3.312 3.249 3.425 . 0 0 "[ . 1 . 2]" 1
973 1 45 THR HB 1 72 VAL HB . . 4.150 3.873 3.673 4.109 . 0 0 "[ . 1 . 2]" 1
974 1 45 THR HB 1 72 VAL MG1 . . 3.860 3.637 3.268 3.824 . 0 0 "[ . 1 . 2]" 1
975 1 45 THR HB 1 74 THR H . . 5.500 5.372 5.242 5.474 . 0 0 "[ . 1 . 2]" 1
976 1 45 THR HB 1 74 THR HG1 . . 4.560 4.120 3.833 4.450 . 0 0 "[ . 1 . 2]" 1
977 1 45 THR HG1 1 72 VAL MG1 . . 4.730 2.536 2.000 3.056 . 0 0 "[ . 1 . 2]" 1
978 1 45 THR HG1 1 74 THR HB . . 4.580 3.508 2.992 4.410 . 0 0 "[ . 1 . 2]" 1
979 1 45 THR HG1 1 74 THR MG . . 4.850 4.358 4.149 4.682 . 0 0 "[ . 1 . 2]" 1
980 1 45 THR MG 1 46 GLN H . . 4.450 4.073 3.969 4.177 . 0 0 "[ . 1 . 2]" 1
981 1 45 THR MG 1 46 GLN QG . . 4.830 4.666 4.587 4.798 . 0 0 "[ . 1 . 2]" 1
982 1 45 THR MG 1 72 VAL HB . . 4.890 4.645 4.530 4.812 . 0 0 "[ . 1 . 2]" 1
983 1 45 THR MG 1 73 PHE HA . . 5.330 4.291 3.932 4.525 . 0 0 "[ . 1 . 2]" 1
984 1 45 THR MG 1 74 THR H . . 4.130 3.120 2.796 3.397 . 0 0 "[ . 1 . 2]" 1
985 1 45 THR MG 1 74 THR HB . . 3.490 2.276 2.012 2.712 . 0 0 "[ . 1 . 2]" 1
986 1 45 THR MG 1 74 THR HG1 . . 4.190 2.208 1.877 2.790 . 0 0 "[ . 1 . 2]" 1
987 1 46 GLN H 1 46 GLN HB2 . . 3.770 2.523 2.409 2.621 . 0 0 "[ . 1 . 2]" 1
988 1 46 GLN H 1 46 GLN HB3 . . 3.770 3.616 3.567 3.661 . 0 0 "[ . 1 . 2]" 1
989 1 46 GLN H 1 46 GLN QG . . 4.140 3.527 3.423 3.609 . 0 0 "[ . 1 . 2]" 1
990 1 46 GLN H 1 47 GLY H . . 4.460 4.438 4.406 4.470 0.010 18 0 "[ . 1 . 2]" 1
991 1 46 GLN H 1 72 VAL H . . 3.220 3.067 2.948 3.211 . 0 0 "[ . 1 . 2]" 1
992 1 46 GLN H 1 72 VAL HB . . 3.320 2.114 1.928 2.326 . 0 0 "[ . 1 . 2]" 1
993 1 46 GLN H 1 72 VAL MG1 . . 4.010 3.506 3.282 3.723 . 0 0 "[ . 1 . 2]" 1
994 1 46 GLN H 1 72 VAL MG2 . . 4.390 3.537 3.277 3.670 . 0 0 "[ . 1 . 2]" 1
995 1 46 GLN H 1 73 PHE HA . . 4.870 4.501 4.332 4.616 . 0 0 "[ . 1 . 2]" 1
996 1 46 GLN HA 1 46 GLN QG . . 3.700 2.290 2.286 2.293 . 0 0 "[ . 1 . 2]" 1
997 1 46 GLN HA 1 47 GLY H . . 2.820 2.520 2.368 2.630 . 0 0 "[ . 1 . 2]" 1
998 1 46 GLN HA 1 47 GLY HA3 . . 4.910 4.481 4.423 4.537 . 0 0 "[ . 1 . 2]" 1
999 1 46 GLN QB 1 47 GLY H . . 3.650 2.233 1.999 2.582 . 0 0 "[ . 1 . 2]" 1
1000 1 46 GLN QB 1 72 VAL H . . 3.680 3.270 3.160 3.410 . 0 0 "[ . 1 . 2]" 1
1001 1 46 GLN QB 1 72 VAL HB . . 3.260 2.008 1.988 2.085 . 0 0 "[ . 1 . 2]" 1
1002 1 46 GLN HB2 1 47 GLY H . . 4.320 3.706 3.524 3.964 . 0 0 "[ . 1 . 2]" 1
1003 1 46 GLN HB2 1 72 VAL H . . 4.380 3.514 3.397 3.668 . 0 0 "[ . 1 . 2]" 1
1004 1 46 GLN HB2 1 72 VAL HB . . 3.730 2.019 1.999 2.097 . 0 0 "[ . 1 . 2]" 1
1005 1 46 GLN HB2 1 72 VAL MG2 . . 3.580 2.052 1.966 2.265 . 0 0 "[ . 1 . 2]" 1
1006 1 46 GLN HB3 1 47 GLY H . . 4.320 2.252 2.010 2.617 . 0 0 "[ . 1 . 2]" 1
1007 1 46 GLN HB3 1 72 VAL H . . 4.380 3.897 3.759 4.054 . 0 0 "[ . 1 . 2]" 1
1008 1 46 GLN HB3 1 72 VAL HB . . 3.730 3.522 3.450 3.642 . 0 0 "[ . 1 . 2]" 1
1009 1 46 GLN HB3 1 72 VAL MG2 . . 3.580 2.665 2.431 2.969 . 0 0 "[ . 1 . 2]" 1
1010 1 46 GLN QE 1 72 VAL MG2 . . 4.340 3.809 3.052 4.222 . 0 0 "[ . 1 . 2]" 1
1011 1 46 GLN HE21 1 72 VAL MG2 . . 4.940 4.382 3.361 4.941 0.001 16 0 "[ . 1 . 2]" 1
1012 1 46 GLN HE22 1 72 VAL MG2 . . 4.940 4.198 3.501 4.584 . 0 0 "[ . 1 . 2]" 1
1013 1 46 GLN QG 1 47 GLY H . . 3.880 3.164 3.124 3.251 . 0 0 "[ . 1 . 2]" 1
1014 1 46 GLN QG 1 47 GLY HA2 . . 5.500 5.208 5.198 5.221 . 0 0 "[ . 1 . 2]" 1
1015 1 46 GLN QG 1 47 GLY HA3 . . 5.500 5.512 5.500 5.528 0.028 5 0 "[ . 1 . 2]" 1
1016 1 46 GLN QG 1 72 VAL HB . . 3.950 3.940 3.898 3.952 0.002 15 0 "[ . 1 . 2]" 1
1017 1 46 GLN QG 1 72 VAL MG2 . . 3.850 3.748 3.633 3.829 . 0 0 "[ . 1 . 2]" 1
1018 1 47 GLY H 1 48 PRO HD3 . . 4.640 4.626 4.587 4.648 0.008 3 0 "[ . 1 . 2]" 1
1019 1 47 GLY HA2 1 48 PRO HB3 . . 5.090 4.893 4.878 4.901 . 0 0 "[ . 1 . 2]" 1
1020 1 47 GLY HA2 1 48 PRO HD2 . . 3.410 2.610 2.561 2.635 . 0 0 "[ . 1 . 2]" 1
1021 1 47 GLY HA2 1 48 PRO HD3 . . 3.060 2.404 2.375 2.419 . 0 0 "[ . 1 . 2]" 1
1022 1 47 GLY HA2 1 48 PRO HG2 . . 4.880 4.684 4.643 4.705 . 0 0 "[ . 1 . 2]" 1
1023 1 47 GLY HA2 1 48 PRO HG3 . . 4.930 4.611 4.576 4.629 . 0 0 "[ . 1 . 2]" 1
1024 1 47 GLY HA2 1 71 TYR QD . . 5.120 4.706 4.402 4.956 . 0 0 "[ . 1 . 2]" 1
1025 1 47 GLY HA2 1 71 TYR QE . . 5.380 5.227 5.012 5.381 0.001 17 0 "[ . 1 . 2]" 1
1026 1 47 GLY HA2 1 72 VAL H . . 4.950 4.452 4.290 4.671 . 0 0 "[ . 1 . 2]" 1
1027 1 47 GLY HA2 1 72 VAL MG2 . . 5.130 4.637 4.368 4.821 . 0 0 "[ . 1 . 2]" 1
1028 1 47 GLY HA3 1 48 PRO HB3 . . 5.500 5.518 5.503 5.549 0.049 10 0 "[ . 1 . 2]" 1
1029 1 47 GLY HA3 1 48 PRO HD2 . . 3.390 2.418 2.396 2.464 . 0 0 "[ . 1 . 2]" 1
1030 1 47 GLY HA3 1 48 PRO HD3 . . 3.420 3.306 3.284 3.352 . 0 0 "[ . 1 . 2]" 1
1031 1 47 GLY HA3 1 48 PRO HG2 . . 4.830 4.453 4.436 4.490 . 0 0 "[ . 1 . 2]" 1
1032 1 47 GLY HA3 1 71 TYR QD . . 3.980 3.345 3.037 3.626 . 0 0 "[ . 1 . 2]" 1
1033 1 47 GLY HA3 1 71 TYR QE . . 4.770 4.379 3.965 4.579 . 0 0 "[ . 1 . 2]" 1
1034 1 47 GLY HA3 1 72 VAL H . . 4.330 3.348 3.190 3.526 . 0 0 "[ . 1 . 2]" 1
1035 1 48 PRO HA 1 49 ASP H . . 2.890 2.184 2.150 2.308 . 0 0 "[ . 1 . 2]" 1
1036 1 48 PRO HA 1 49 ASP QB . . 4.500 4.250 4.031 4.479 . 0 0 "[ . 1 . 2]" 1
1037 1 48 PRO HB2 1 71 TYR QE . . 4.340 3.977 3.793 4.231 . 0 0 "[ . 1 . 2]" 1
1038 1 48 PRO HB2 1 71 TYR HH . . 4.230 3.987 3.804 4.212 . 0 0 "[ . 1 . 2]" 1
1039 1 48 PRO HB3 1 49 ASP H . . 4.260 4.029 3.586 4.250 . 0 0 "[ . 1 . 2]" 1
1040 1 48 PRO HB3 1 71 TYR QE . . 5.430 4.929 4.758 5.143 . 0 0 "[ . 1 . 2]" 1
1041 1 48 PRO HB3 1 71 TYR HH . . 5.500 5.193 4.899 5.439 . 0 0 "[ . 1 . 2]" 1
1042 1 48 PRO HD2 1 70 THR H . . 5.030 3.882 3.551 4.268 . 0 0 "[ . 1 . 2]" 1
1043 1 48 PRO HD2 1 71 TYR HB3 . . 5.500 4.800 4.451 5.295 . 0 0 "[ . 1 . 2]" 1
1044 1 48 PRO HD2 1 71 TYR QD . . 4.630 3.292 2.999 3.546 . 0 0 "[ . 1 . 2]" 1
1045 1 48 PRO HD2 1 71 TYR QE . . 4.260 3.119 2.846 3.299 . 0 0 "[ . 1 . 2]" 1
1046 1 48 PRO HD3 1 69 GLY HA2 . . 5.500 5.223 5.009 5.454 . 0 0 "[ . 1 . 2]" 1
1047 1 48 PRO HD3 1 69 GLY HA3 . . 4.800 4.010 3.804 4.333 . 0 0 "[ . 1 . 2]" 1
1048 1 48 PRO HD3 1 70 THR H . . 4.210 3.350 2.925 3.825 . 0 0 "[ . 1 . 2]" 1
1049 1 48 PRO HD3 1 71 TYR QE . . 4.780 4.357 4.087 4.596 . 0 0 "[ . 1 . 2]" 1
1050 1 48 PRO HG2 1 71 TYR QE . . 4.710 2.347 2.037 2.712 . 0 0 "[ . 1 . 2]" 1
1051 1 48 PRO HG3 1 69 GLY HA2 . . 5.170 4.996 4.773 5.144 . 0 0 "[ . 1 . 2]" 1
1052 1 48 PRO HG3 1 69 GLY HA3 . . 3.880 3.406 3.129 3.588 . 0 0 "[ . 1 . 2]" 1
1053 1 48 PRO HG3 1 70 THR H . . 4.770 4.222 3.822 4.651 . 0 0 "[ . 1 . 2]" 1
1054 1 48 PRO HG3 1 71 TYR QE . . 4.560 3.686 3.443 4.051 . 0 0 "[ . 1 . 2]" 1
1055 1 48 PRO HG3 1 71 TYR HH . . 5.100 3.763 3.301 4.214 . 0 0 "[ . 1 . 2]" 1
1056 1 49 ASP H 1 49 ASP HB2 . . 3.800 2.649 2.211 3.616 . 0 0 "[ . 1 . 2]" 1
1057 1 49 ASP H 1 49 ASP QB . . 3.050 2.340 2.147 2.630 . 0 0 "[ . 1 . 2]" 1
1058 1 49 ASP H 1 49 ASP HB3 . . 3.800 3.059 2.318 3.641 . 0 0 "[ . 1 . 2]" 1
1059 1 50 GLY H 1 51 VAL H . . 4.810 2.430 1.800 3.022 . 0 0 "[ . 1 . 2]" 1
1060 1 51 VAL H 1 51 VAL HB . . 3.650 3.607 3.574 3.628 . 0 0 "[ . 1 . 2]" 1
1061 1 51 VAL H 1 51 VAL MG1 . . 3.240 1.946 1.852 2.072 . 0 0 "[ . 1 . 2]" 1
1062 1 51 VAL H 1 51 VAL MG2 . . 3.240 2.398 2.194 2.643 . 0 0 "[ . 1 . 2]" 1
1063 1 51 VAL H 1 52 GLN H . . 4.820 4.637 4.608 4.649 . 0 0 "[ . 1 . 2]" 1
1064 1 51 VAL H 1 71 TYR HH . . 4.840 4.279 3.397 4.780 . 0 0 "[ . 1 . 2]" 1
1065 1 51 VAL HA 1 51 VAL MG1 . . 3.460 2.437 2.365 2.525 . 0 0 "[ . 1 . 2]" 1
1066 1 51 VAL HA 1 51 VAL MG2 . . 3.460 3.188 3.169 3.203 . 0 0 "[ . 1 . 2]" 1
1067 1 51 VAL HA 1 52 GLN H . . 2.710 2.406 2.331 2.467 . 0 0 "[ . 1 . 2]" 1
1068 1 51 VAL HA 1 52 GLN QB . . 5.300 4.172 4.073 4.353 . 0 0 "[ . 1 . 2]" 1
1069 1 51 VAL HA 1 52 GLN QG . . 4.920 3.983 3.540 4.880 . 0 0 "[ . 1 . 2]" 1
1070 1 51 VAL HA 1 63 VAL QG . . 4.420 3.857 3.576 4.203 . 0 0 "[ . 1 . 2]" 1
1071 1 51 VAL HA 1 64 THR H . . 5.050 4.712 4.312 5.008 . 0 0 "[ . 1 . 2]" 1
1072 1 51 VAL HA 1 65 GLY H . . 5.500 5.117 4.816 5.287 . 0 0 "[ . 1 . 2]" 1
1073 1 51 VAL HA 1 65 GLY HA3 . . 3.550 3.031 2.851 3.275 . 0 0 "[ . 1 . 2]" 1
1074 1 51 VAL HA 1 66 LEU QD . . 4.910 4.549 4.365 4.751 . 0 0 "[ . 1 . 2]" 1
1075 1 51 VAL HB 1 52 GLN H . . 3.840 2.429 2.286 2.584 . 0 0 "[ . 1 . 2]" 1
1076 1 51 VAL HB 1 63 VAL MG1 . . 4.380 2.017 1.836 2.333 . 0 0 "[ . 1 . 2]" 1
1077 1 51 VAL HB 1 63 VAL QG . . 3.760 2.013 1.833 2.324 . 0 0 "[ . 1 . 2]" 1
1078 1 51 VAL HB 1 63 VAL MG2 . . 4.380 4.180 3.789 4.381 0.001 4 0 "[ . 1 . 2]" 1
1079 1 51 VAL HB 1 64 THR H . . 4.770 3.736 3.315 4.173 . 0 0 "[ . 1 . 2]" 1
1080 1 51 VAL HB 1 66 LEU QD . . 4.160 3.232 2.903 3.504 . 0 0 "[ . 1 . 2]" 1
1081 1 51 VAL HB 1 71 TYR QE . . 4.920 4.740 4.474 4.921 0.001 12 0 "[ . 1 . 2]" 1
1082 1 51 VAL HB 1 71 TYR HH . . 5.500 5.344 4.884 5.503 0.003 5 0 "[ . 1 . 2]" 1
1083 1 51 VAL QG 1 52 GLN H . . 3.570 3.039 2.841 3.226 . 0 0 "[ . 1 . 2]" 1
1084 1 51 VAL QG 1 52 GLN HA . . 4.520 3.592 3.381 3.750 . 0 0 "[ . 1 . 2]" 1
1085 1 51 VAL QG 1 53 LEU H . . 4.560 3.959 3.522 4.424 . 0 0 "[ . 1 . 2]" 1
1086 1 51 VAL QG 1 53 LEU HA . . 5.040 4.509 4.015 5.018 . 0 0 "[ . 1 . 2]" 1
1087 1 51 VAL QG 1 53 LEU HG . . 4.710 3.237 2.812 3.768 . 0 0 "[ . 1 . 2]" 1
1088 1 51 VAL QG 1 63 VAL HA . . 4.610 4.144 3.554 4.561 . 0 0 "[ . 1 . 2]" 1
1089 1 51 VAL QG 1 63 VAL HB . . 5.010 4.329 4.082 4.707 . 0 0 "[ . 1 . 2]" 1
1090 1 51 VAL QG 1 63 VAL QG . . 3.210 2.103 1.860 2.464 . 0 0 "[ . 1 . 2]" 1
1091 1 51 VAL QG 1 64 THR H . . 4.630 4.146 3.825 4.572 . 0 0 "[ . 1 . 2]" 1
1092 1 51 VAL QG 1 66 LEU H . . 4.860 3.934 3.590 4.414 . 0 0 "[ . 1 . 2]" 1
1093 1 51 VAL QG 1 66 LEU HA . . 3.740 2.338 2.066 2.670 . 0 0 "[ . 1 . 2]" 1
1094 1 51 VAL QG 1 66 LEU QD . . 4.940 1.948 1.803 2.126 . 0 0 "[ . 1 . 2]" 1
1095 1 51 VAL QG 1 67 GLN H . . 4.330 3.872 3.499 4.177 . 0 0 "[ . 1 . 2]" 1
1096 1 51 VAL QG 1 71 TYR QE . . 3.570 2.034 1.892 2.256 . 0 0 "[ . 1 . 2]" 1
1097 1 51 VAL QG 1 71 TYR HH . . 4.050 2.543 2.020 2.734 . 0 0 "[ . 1 . 2]" 1
1098 1 51 VAL QG 1 73 PHE QE . . 3.490 2.620 2.348 2.882 . 0 0 "[ . 1 . 2]" 1
1099 1 51 VAL QG 1 73 PHE HZ . . 3.310 2.673 2.373 2.992 . 0 0 "[ . 1 . 2]" 1
1100 1 51 VAL MG1 1 64 THR H . . 5.390 4.952 4.646 5.317 . 0 0 "[ . 1 . 2]" 1
1101 1 51 VAL MG1 1 66 LEU HA . . 5.080 2.343 2.068 2.679 . 0 0 "[ . 1 . 2]" 1
1102 1 51 VAL MG1 1 71 TYR QD . . 4.050 2.919 2.618 3.227 . 0 0 "[ . 1 . 2]" 1
1103 1 51 VAL MG1 1 71 TYR HH . . 5.080 2.554 2.026 2.746 . 0 0 "[ . 1 . 2]" 1
1104 1 51 VAL MG1 1 73 PHE QE . . 4.500 4.134 3.835 4.367 . 0 0 "[ . 1 . 2]" 1
1105 1 51 VAL MG1 1 73 PHE HZ . . 3.820 3.318 3.016 3.618 . 0 0 "[ . 1 . 2]" 1
1106 1 51 VAL MG2 1 64 THR H . . 5.390 4.486 3.970 5.102 . 0 0 "[ . 1 . 2]" 1
1107 1 51 VAL MG2 1 66 LEU HA . . 5.080 4.943 4.797 5.074 . 0 0 "[ . 1 . 2]" 1
1108 1 51 VAL MG2 1 71 TYR QD . . 4.050 3.237 2.763 3.482 . 0 0 "[ . 1 . 2]" 1
1109 1 51 VAL MG2 1 71 TYR HH . . 5.080 4.744 4.027 5.080 . 0 0 "[ . 1 . 2]" 1
1110 1 51 VAL MG2 1 73 PHE QE . . 4.500 2.651 2.363 2.932 . 0 0 "[ . 1 . 2]" 1
1111 1 51 VAL MG2 1 73 PHE HZ . . 3.820 2.827 2.463 3.190 . 0 0 "[ . 1 . 2]" 1
1112 1 52 GLN H 1 52 GLN HB2 . . 3.800 2.507 2.415 2.648 . 0 0 "[ . 1 . 2]" 1
1113 1 52 GLN H 1 52 GLN QB . . 3.300 2.466 2.378 2.600 . 0 0 "[ . 1 . 2]" 1
1114 1 52 GLN H 1 52 GLN HB3 . . 3.800 3.654 3.571 3.784 . 0 0 "[ . 1 . 2]" 1
1115 1 52 GLN H 1 52 GLN QG . . 3.920 3.325 2.980 3.888 . 0 0 "[ . 1 . 2]" 1
1116 1 52 GLN H 1 63 VAL HA . . 4.780 4.010 3.771 4.282 . 0 0 "[ . 1 . 2]" 1
1117 1 52 GLN H 1 63 VAL MG1 . . 5.110 3.042 2.726 3.450 . 0 0 "[ . 1 . 2]" 1
1118 1 52 GLN H 1 63 VAL QG . . 4.300 3.013 2.706 3.397 . 0 0 "[ . 1 . 2]" 1
1119 1 52 GLN H 1 63 VAL MG2 . . 5.110 4.926 4.551 5.111 0.001 12 0 "[ . 1 . 2]" 1
1120 1 52 GLN H 1 64 THR H . . 3.500 2.655 2.253 2.941 . 0 0 "[ . 1 . 2]" 1
1121 1 52 GLN H 1 65 GLY HA2 . . 5.500 5.448 5.350 5.505 0.005 10 0 "[ . 1 . 2]" 1
1122 1 52 GLN H 1 65 GLY HA3 . . 4.240 3.919 3.810 4.041 . 0 0 "[ . 1 . 2]" 1
1123 1 52 GLN HA 1 52 GLN QE . . 5.110 4.147 2.059 4.874 . 0 0 "[ . 1 . 2]" 1
1124 1 52 GLN HA 1 52 GLN QG . . 3.510 2.397 2.151 2.830 . 0 0 "[ . 1 . 2]" 1
1125 1 52 GLN HA 1 53 LEU H . . 2.680 2.146 2.139 2.172 . 0 0 "[ . 1 . 2]" 1
1126 1 52 GLN HA 1 53 LEU HB2 . . 4.900 4.251 4.199 4.278 . 0 0 "[ . 1 . 2]" 1
1127 1 52 GLN QB 1 53 LEU H . . 3.610 3.361 3.123 3.500 . 0 0 "[ . 1 . 2]" 1
1128 1 52 GLN QB 1 64 THR H . . 3.830 3.241 3.062 3.429 . 0 0 "[ . 1 . 2]" 1
1129 1 52 GLN HB2 1 64 THR H . . 4.680 3.381 3.134 3.609 . 0 0 "[ . 1 . 2]" 1
1130 1 52 GLN HB2 1 64 THR MG . . 4.900 3.946 3.504 4.423 . 0 0 "[ . 1 . 2]" 1
1131 1 52 GLN HB3 1 64 THR H . . 4.680 4.192 3.943 4.629 . 0 0 "[ . 1 . 2]" 1
1132 1 52 GLN HB3 1 64 THR MG . . 4.900 4.412 3.788 4.880 . 0 0 "[ . 1 . 2]" 1
1133 1 52 GLN QG 1 53 LEU H . . 4.360 4.137 3.695 4.369 0.009 18 0 "[ . 1 . 2]" 1
1134 1 53 LEU H 1 53 LEU HB2 . . 3.200 2.238 2.173 2.355 . 0 0 "[ . 1 . 2]" 1
1135 1 53 LEU H 1 53 LEU HB3 . . 3.660 3.487 3.468 3.528 . 0 0 "[ . 1 . 2]" 1
1136 1 53 LEU H 1 53 LEU MD1 . . 4.120 3.558 3.435 3.729 . 0 0 "[ . 1 . 2]" 1
1137 1 53 LEU H 1 53 LEU MD2 . . 4.620 4.373 4.297 4.473 . 0 0 "[ . 1 . 2]" 1
1138 1 53 LEU H 1 53 LEU HG . . 3.960 3.472 3.321 3.659 . 0 0 "[ . 1 . 2]" 1
1139 1 53 LEU HA 1 53 LEU MD1 . . 3.820 3.768 3.754 3.780 . 0 0 "[ . 1 . 2]" 1
1140 1 53 LEU HA 1 53 LEU MD2 . . 3.450 2.501 2.421 2.612 . 0 0 "[ . 1 . 2]" 1
1141 1 53 LEU HA 1 53 LEU HG . . 3.820 2.449 2.419 2.474 . 0 0 "[ . 1 . 2]" 1
1142 1 53 LEU HA 1 54 GLU H . . 2.670 2.151 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
1143 1 53 LEU HA 1 56 ALA MB . . 4.920 4.702 4.391 4.894 . 0 0 "[ . 1 . 2]" 1
1144 1 53 LEU HA 1 61 ALA MB . . 4.540 4.331 4.092 4.477 . 0 0 "[ . 1 . 2]" 1
1145 1 53 LEU HA 1 62 THR MG . . 5.500 4.930 4.528 5.372 . 0 0 "[ . 1 . 2]" 1
1146 1 53 LEU HA 1 63 VAL MG1 . . 4.770 3.794 3.210 4.051 . 0 0 "[ . 1 . 2]" 1
1147 1 53 LEU HA 1 63 VAL QG . . 4.150 2.787 2.190 3.124 . 0 0 "[ . 1 . 2]" 1
1148 1 53 LEU HA 1 63 VAL MG2 . . 4.770 2.890 2.205 3.269 . 0 0 "[ . 1 . 2]" 1
1149 1 53 LEU HB2 1 53 LEU MD1 . . 3.150 2.045 2.017 2.074 . 0 0 "[ . 1 . 2]" 1
1150 1 53 LEU HB2 1 53 LEU MD2 . . 3.490 3.125 3.109 3.136 . 0 0 "[ . 1 . 2]" 1
1151 1 53 LEU HB2 1 53 LEU HG . . 2.990 2.649 2.643 2.657 . 0 0 "[ . 1 . 2]" 1
1152 1 53 LEU HB2 1 54 GLU H . . 4.710 4.403 4.330 4.486 . 0 0 "[ . 1 . 2]" 1
1153 1 53 LEU HB2 1 61 ALA MB . . 5.500 5.187 4.884 5.341 . 0 0 "[ . 1 . 2]" 1
1154 1 53 LEU HB2 1 63 VAL QG . . 5.440 3.992 3.776 4.114 . 0 0 "[ . 1 . 2]" 1
1155 1 53 LEU HB3 1 53 LEU MD1 . . 3.530 2.693 2.681 2.703 . 0 0 "[ . 1 . 2]" 1
1156 1 53 LEU HB3 1 53 LEU MD2 . . 3.280 2.146 2.016 2.225 . 0 0 "[ . 1 . 2]" 1
1157 1 53 LEU HB3 1 54 GLU H . . 3.830 3.400 3.248 3.582 . 0 0 "[ . 1 . 2]" 1
1158 1 53 LEU HB3 1 56 ALA H . . 4.580 4.078 3.785 4.325 . 0 0 "[ . 1 . 2]" 1
1159 1 53 LEU HB3 1 61 ALA MB . . 4.460 3.774 3.455 3.951 . 0 0 "[ . 1 . 2]" 1
1160 1 53 LEU MD1 1 56 ALA HA . . 5.250 4.910 4.682 5.089 . 0 0 "[ . 1 . 2]" 1
1161 1 53 LEU MD1 1 56 ALA MB . . 3.670 3.398 3.137 3.672 0.002 16 0 "[ . 1 . 2]" 1
1162 1 53 LEU MD1 1 63 VAL HA . . 5.090 4.832 4.658 5.082 . 0 0 "[ . 1 . 2]" 1
1163 1 53 LEU MD1 1 63 VAL HB . . 5.500 5.503 5.485 5.513 0.013 9 0 "[ . 1 . 2]" 1
1164 1 53 LEU MD1 1 63 VAL QG . . 3.750 2.803 2.742 2.856 . 0 0 "[ . 1 . 2]" 1
1165 1 53 LEU MD1 1 73 PHE HA . . 5.260 4.799 4.594 4.965 . 0 0 "[ . 1 . 2]" 1
1166 1 53 LEU MD1 1 73 PHE QD . . 3.750 2.425 2.019 2.693 . 0 0 "[ . 1 . 2]" 1
1167 1 53 LEU MD1 1 73 PHE QE . . 3.650 2.266 2.004 2.467 . 0 0 "[ . 1 . 2]" 1
1168 1 53 LEU MD2 1 54 GLU H . . 3.920 3.196 3.013 3.453 . 0 0 "[ . 1 . 2]" 1
1169 1 53 LEU MD2 1 56 ALA H . . 4.800 4.624 4.303 4.800 0.000 8 0 "[ . 1 . 2]" 1
1170 1 53 LEU MD2 1 56 ALA HA . . 4.040 3.488 3.314 3.635 . 0 0 "[ . 1 . 2]" 1
1171 1 53 LEU MD2 1 56 ALA MB . . 3.350 3.017 2.797 3.284 . 0 0 "[ . 1 . 2]" 1
1172 1 53 LEU MD2 1 61 ALA MB . . 3.240 2.239 1.982 2.452 . 0 0 "[ . 1 . 2]" 1
1173 1 53 LEU MD2 1 62 THR H . . 4.900 3.407 3.138 3.948 . 0 0 "[ . 1 . 2]" 1
1174 1 53 LEU MD2 1 63 VAL HA . . 4.340 3.351 3.049 3.735 . 0 0 "[ . 1 . 2]" 1
1175 1 53 LEU MD2 1 63 VAL HB . . 4.570 4.098 3.995 4.251 . 0 0 "[ . 1 . 2]" 1
1176 1 53 LEU MD2 1 63 VAL QG . . 3.350 1.745 1.693 1.829 . 0 0 "[ . 1 . 2]" 1
1177 1 53 LEU MD2 1 73 PHE QD . . 3.720 3.209 2.917 3.631 . 0 0 "[ . 1 . 2]" 1
1178 1 53 LEU MD2 1 73 PHE QE . . 3.900 3.515 3.278 3.796 . 0 0 "[ . 1 . 2]" 1
1179 1 53 LEU MD2 1 73 PHE HZ . . 5.340 4.806 4.606 4.945 . 0 0 "[ . 1 . 2]" 1
1180 1 53 LEU HG 1 54 GLU H . . 4.410 4.408 4.342 4.437 0.027 11 0 "[ . 1 . 2]" 1
1181 1 53 LEU HG 1 63 VAL HA . . 4.790 3.336 3.135 3.632 . 0 0 "[ . 1 . 2]" 1
1182 1 53 LEU HG 1 63 VAL MG1 . . 4.500 3.005 2.635 3.311 . 0 0 "[ . 1 . 2]" 1
1183 1 53 LEU HG 1 63 VAL MG2 . . 4.500 1.969 1.854 2.119 . 0 0 "[ . 1 . 2]" 1
1184 1 53 LEU HG 1 73 PHE QE . . 4.750 3.274 3.052 3.519 . 0 0 "[ . 1 . 2]" 1
1185 1 54 GLU H 1 54 GLU HB2 . . 3.340 2.409 2.299 2.543 . 0 0 "[ . 1 . 2]" 1
1186 1 54 GLU H 1 54 GLU HB3 . . 3.680 3.512 2.861 3.638 . 0 0 "[ . 1 . 2]" 1
1187 1 54 GLU H 1 54 GLU HG2 . . 4.880 4.331 3.453 4.685 . 0 0 "[ . 1 . 2]" 1
1188 1 54 GLU H 1 54 GLU QG . . 4.010 3.557 3.225 4.041 0.031 12 0 "[ . 1 . 2]" 1
1189 1 54 GLU H 1 54 GLU HG3 . . 4.880 3.948 3.310 4.691 . 0 0 "[ . 1 . 2]" 1
1190 1 54 GLU H 1 56 ALA HA . . 5.500 5.318 5.075 5.462 . 0 0 "[ . 1 . 2]" 1
1191 1 54 GLU H 1 56 ALA MB . . 5.020 4.572 4.360 4.830 . 0 0 "[ . 1 . 2]" 1
1192 1 54 GLU H 1 61 ALA MB . . 4.390 3.818 3.500 4.206 . 0 0 "[ . 1 . 2]" 1
1193 1 54 GLU H 1 62 THR H . . 3.530 2.650 2.474 2.989 . 0 0 "[ . 1 . 2]" 1
1194 1 54 GLU H 1 62 THR HB . . 4.010 3.396 3.142 3.730 . 0 0 "[ . 1 . 2]" 1
1195 1 54 GLU H 1 62 THR MG . . 4.550 4.195 3.697 4.490 . 0 0 "[ . 1 . 2]" 1
1196 1 54 GLU H 1 63 VAL HA . . 4.300 3.668 3.304 3.910 . 0 0 "[ . 1 . 2]" 1
1197 1 54 GLU H 1 63 VAL QG . . 4.910 3.883 3.450 4.209 . 0 0 "[ . 1 . 2]" 1
1198 1 54 GLU H 1 64 THR MG . . 5.050 4.668 4.078 5.051 0.001 14 0 "[ . 1 . 2]" 1
1199 1 54 GLU HA 1 54 GLU HG2 . . 3.830 2.932 2.193 3.515 . 0 0 "[ . 1 . 2]" 1
1200 1 54 GLU HA 1 54 GLU QG . . 3.340 2.325 2.150 2.801 . 0 0 "[ . 1 . 2]" 1
1201 1 54 GLU HA 1 54 GLU HG3 . . 3.830 2.708 2.171 3.614 . 0 0 "[ . 1 . 2]" 1
1202 1 54 GLU HA 1 55 ASN H . . 2.840 2.227 2.184 2.372 . 0 0 "[ . 1 . 2]" 1
1203 1 54 GLU HA 1 56 ALA H . . 3.770 3.487 3.237 3.689 . 0 0 "[ . 1 . 2]" 1
1204 1 54 GLU HA 1 56 ALA MB . . 4.500 4.328 4.119 4.465 . 0 0 "[ . 1 . 2]" 1
1205 1 54 GLU HB2 1 55 ASN H . . 4.420 4.191 3.937 4.287 . 0 0 "[ . 1 . 2]" 1
1206 1 54 GLU HB2 1 62 THR H . . 4.140 3.511 3.063 4.125 . 0 0 "[ . 1 . 2]" 1
1207 1 54 GLU HB2 1 62 THR HB . . 3.360 2.442 2.083 3.229 . 0 0 "[ . 1 . 2]" 1
1208 1 54 GLU HB2 1 62 THR MG . . 4.290 3.534 3.096 4.241 . 0 0 "[ . 1 . 2]" 1
1209 1 54 GLU HB3 1 55 ASN H . . 3.680 3.067 2.583 3.630 . 0 0 "[ . 1 . 2]" 1
1210 1 54 GLU HB3 1 55 ASN HD22 . . 5.020 4.337 4.050 5.021 0.001 12 0 "[ . 1 . 2]" 1
1211 1 54 GLU HB3 1 62 THR H . . 4.420 4.151 3.144 4.424 0.004 19 0 "[ . 1 . 2]" 1
1212 1 54 GLU HB3 1 62 THR HB . . 3.680 3.400 2.487 3.665 . 0 0 "[ . 1 . 2]" 1
1213 1 54 GLU HB3 1 62 THR MG . . 4.710 4.576 3.922 4.712 0.002 19 0 "[ . 1 . 2]" 1
1214 1 54 GLU QG 1 55 ASN H . . 4.120 3.626 2.820 4.119 . 0 0 "[ . 1 . 2]" 1
1215 1 54 GLU QG 1 55 ASN HB2 . . 5.340 5.084 4.515 5.322 . 0 0 "[ . 1 . 2]" 1
1216 1 54 GLU HG2 1 55 ASN H . . 4.720 4.144 2.867 4.716 . 0 0 "[ . 1 . 2]" 1
1217 1 54 GLU HG2 1 62 THR HB . . 5.340 4.897 4.473 5.337 . 0 0 "[ . 1 . 2]" 1
1218 1 54 GLU HG2 1 64 THR MG . . 5.500 4.991 4.108 5.499 . 0 0 "[ . 1 . 2]" 1
1219 1 54 GLU HG3 1 55 ASN H . . 4.720 4.215 3.699 4.705 . 0 0 "[ . 1 . 2]" 1
1220 1 54 GLU HG3 1 62 THR HB . . 5.340 4.878 4.429 5.341 0.001 5 0 "[ . 1 . 2]" 1
1221 1 54 GLU HG3 1 64 THR MG . . 5.500 4.816 4.235 5.498 . 0 0 "[ . 1 . 2]" 1
1222 1 55 ASN H 1 55 ASN HA . . 2.830 2.276 2.273 2.289 . 0 0 "[ . 1 . 2]" 1
1223 1 55 ASN H 1 56 ALA H . . 3.310 2.700 2.608 2.833 . 0 0 "[ . 1 . 2]" 1
1224 1 55 ASN H 1 56 ALA HA . . 5.420 5.171 5.112 5.300 . 0 0 "[ . 1 . 2]" 1
1225 1 55 ASN H 1 56 ALA MB . . 4.840 4.328 4.236 4.489 . 0 0 "[ . 1 . 2]" 1
1226 1 55 ASN H 1 57 ASN H . . 4.710 4.530 4.399 4.682 . 0 0 "[ . 1 . 2]" 1
1227 1 55 ASN HA 1 56 ALA H . . 3.140 2.889 2.786 2.965 . 0 0 "[ . 1 . 2]" 1
1228 1 55 ASN HA 1 56 ALA MB . . 4.820 4.496 4.415 4.544 . 0 0 "[ . 1 . 2]" 1
1229 1 55 ASN HA 1 57 ASN H . . 3.840 3.202 2.978 3.381 . 0 0 "[ . 1 . 2]" 1
1230 1 55 ASN HA 1 58 SER H . . 4.680 4.464 4.148 4.681 0.001 6 0 "[ . 1 . 2]" 1
1231 1 55 ASN HA 1 58 SER QB . . 4.630 3.749 3.407 4.121 . 0 0 "[ . 1 . 2]" 1
1232 1 55 ASN HB2 1 55 ASN HD22 . . 4.000 3.448 3.434 3.488 . 0 0 "[ . 1 . 2]" 1
1233 1 55 ASN HB2 1 56 ALA H . . 4.730 4.209 4.115 4.319 . 0 0 "[ . 1 . 2]" 1
1234 1 55 ASN HB2 1 58 SER QB . . 4.110 3.848 3.645 4.110 . 0 0 "[ . 1 . 2]" 1
1235 1 55 ASN HB2 1 61 ALA HA . . 3.620 3.087 2.796 3.586 . 0 0 "[ . 1 . 2]" 1
1236 1 55 ASN HB2 1 61 ALA MB . . 5.130 4.295 4.049 4.847 . 0 0 "[ . 1 . 2]" 1
1237 1 55 ASN HB2 1 62 THR H . . 3.980 3.758 3.540 3.872 . 0 0 "[ . 1 . 2]" 1
1238 1 55 ASN HB3 1 56 ALA H . . 4.780 4.324 4.292 4.350 . 0 0 "[ . 1 . 2]" 1
1239 1 55 ASN HB3 1 58 SER H . . 4.390 4.008 3.791 4.192 . 0 0 "[ . 1 . 2]" 1
1240 1 55 ASN HB3 1 58 SER QB . . 3.340 2.230 1.992 2.583 . 0 0 "[ . 1 . 2]" 1
1241 1 55 ASN HB3 1 61 ALA HA . . 4.020 3.409 3.155 3.924 . 0 0 "[ . 1 . 2]" 1
1242 1 55 ASN HB3 1 62 THR H . . 4.940 4.922 4.822 4.944 0.004 16 0 "[ . 1 . 2]" 1
1243 1 55 ASN HD21 1 62 THR H . . 5.330 5.141 4.818 5.323 . 0 0 "[ . 1 . 2]" 1
1244 1 56 ALA H 1 56 ALA MB . . 2.760 2.180 2.064 2.240 . 0 0 "[ . 1 . 2]" 1
1245 1 56 ALA H 1 57 ASN H . . 2.990 2.713 2.564 2.835 . 0 0 "[ . 1 . 2]" 1
1246 1 56 ALA H 1 57 ASN QB . . 5.150 4.670 4.376 5.097 . 0 0 "[ . 1 . 2]" 1
1247 1 56 ALA H 1 61 ALA MB . . 4.770 4.005 3.775 4.214 . 0 0 "[ . 1 . 2]" 1
1248 1 56 ALA HA 1 58 SER H . . 3.870 3.436 3.334 3.534 . 0 0 "[ . 1 . 2]" 1
1249 1 56 ALA HA 1 61 ALA MB . . 3.370 2.257 2.069 2.504 . 0 0 "[ . 1 . 2]" 1
1250 1 56 ALA HA 1 62 THR H . . 5.380 4.786 4.457 5.032 . 0 0 "[ . 1 . 2]" 1
1251 1 56 ALA MB 1 57 ASN H . . 3.690 2.845 2.690 3.086 . 0 0 "[ . 1 . 2]" 1
1252 1 56 ALA MB 1 57 ASN HA . . 4.590 3.909 3.868 3.987 . 0 0 "[ . 1 . 2]" 1
1253 1 56 ALA MB 1 58 SER H . . 4.600 4.207 4.151 4.255 . 0 0 "[ . 1 . 2]" 1
1254 1 56 ALA MB 1 61 ALA MB . . 4.170 3.382 3.175 3.594 . 0 0 "[ . 1 . 2]" 1
1255 1 57 ASN H 1 57 ASN HB2 . . 3.730 2.480 2.215 2.752 . 0 0 "[ . 1 . 2]" 1
1256 1 57 ASN H 1 57 ASN QB . . 3.130 2.363 2.192 2.604 . 0 0 "[ . 1 . 2]" 1
1257 1 57 ASN H 1 57 ASN HB3 . . 3.730 3.264 2.469 3.658 . 0 0 "[ . 1 . 2]" 1
1258 1 57 ASN H 1 58 SER H . . 3.110 2.905 2.697 3.067 . 0 0 "[ . 1 . 2]" 1
1259 1 57 ASN H 1 58 SER QB . . 4.660 4.218 3.966 4.553 . 0 0 "[ . 1 . 2]" 1
1260 1 57 ASN HA 1 58 SER H . . 3.320 2.950 2.854 3.059 . 0 0 "[ . 1 . 2]" 1
1261 1 57 ASN QB 1 58 SER H . . 4.380 3.769 3.684 3.838 . 0 0 "[ . 1 . 2]" 1
1262 1 57 ASN HB2 1 58 SER H . . 5.180 4.232 3.911 4.579 . 0 0 "[ . 1 . 2]" 1
1263 1 57 ASN HB3 1 58 SER H . . 5.180 4.297 3.990 4.534 . 0 0 "[ . 1 . 2]" 1
1264 1 58 SER H 1 58 SER QB . . 3.180 2.639 2.502 2.809 . 0 0 "[ . 1 . 2]" 1
1265 1 58 SER H 1 61 ALA MB . . 4.370 4.052 3.752 4.296 . 0 0 "[ . 1 . 2]" 1
1266 1 58 SER QB 1 59 SER H . . 3.160 2.619 2.051 3.158 . 0 0 "[ . 1 . 2]" 1
1267 1 58 SER QB 1 59 SER HA . . 4.920 4.549 4.308 4.779 . 0 0 "[ . 1 . 2]" 1
1268 1 58 SER QB 1 59 SER QB . . 5.340 4.379 3.819 4.946 . 0 0 "[ . 1 . 2]" 1
1269 1 58 SER QB 1 60 VAL H . . 3.450 2.538 2.288 2.978 . 0 0 "[ . 1 . 2]" 1
1270 1 58 SER QB 1 60 VAL HB . . 5.000 4.036 3.485 4.969 . 0 0 "[ . 1 . 2]" 1
1271 1 58 SER QB 1 60 VAL QG . . 4.790 4.022 2.735 4.444 . 0 0 "[ . 1 . 2]" 1
1272 1 59 SER H 1 59 SER QB . . 3.280 2.484 2.151 2.793 . 0 0 "[ . 1 . 2]" 1
1273 1 59 SER H 1 60 VAL H . . 3.240 2.723 2.441 2.926 . 0 0 "[ . 1 . 2]" 1
1274 1 59 SER H 1 60 VAL HB . . 5.500 5.186 4.808 5.493 . 0 0 "[ . 1 . 2]" 1
1275 1 59 SER H 1 60 VAL QG . . 5.000 4.295 4.000 4.618 . 0 0 "[ . 1 . 2]" 1
1276 1 59 SER HA 1 60 VAL HA . . 5.480 4.544 4.501 4.585 . 0 0 "[ . 1 . 2]" 1
1277 1 59 SER HA 1 75 LEU QD . . 4.620 3.561 2.755 4.125 . 0 0 "[ . 1 . 2]" 1
1278 1 59 SER QB 1 60 VAL H . . 4.010 3.280 2.737 3.649 . 0 0 "[ . 1 . 2]" 1
1279 1 59 SER QB 1 60 VAL HA . . 5.340 4.407 4.091 4.621 . 0 0 "[ . 1 . 2]" 1
1280 1 59 SER QB 1 60 VAL QG . . 3.940 3.050 2.414 3.430 . 0 0 "[ . 1 . 2]" 1
1281 1 59 SER HB2 1 60 VAL H . . 4.590 3.671 2.788 4.145 . 0 0 "[ . 1 . 2]" 1
1282 1 59 SER HB3 1 60 VAL H . . 4.590 3.879 2.965 4.252 . 0 0 "[ . 1 . 2]" 1
1283 1 60 VAL H 1 60 VAL HB . . 3.170 2.675 2.536 3.165 . 0 0 "[ . 1 . 2]" 1
1284 1 60 VAL H 1 60 VAL MG1 . . 3.880 3.766 2.097 3.900 0.020 3 0 "[ . 1 . 2]" 1
1285 1 60 VAL H 1 60 VAL QG . . 3.160 2.650 2.088 2.883 . 0 0 "[ . 1 . 2]" 1
1286 1 60 VAL H 1 60 VAL MG2 . . 3.880 2.791 2.529 3.850 . 0 0 "[ . 1 . 2]" 1
1287 1 60 VAL H 1 61 ALA H . . 4.650 4.280 4.069 4.467 . 0 0 "[ . 1 . 2]" 1
1288 1 60 VAL H 1 61 ALA MB . . 5.230 4.877 4.688 5.082 . 0 0 "[ . 1 . 2]" 1
1289 1 60 VAL HA 1 60 VAL MG1 . . 3.240 2.389 2.249 3.188 . 0 0 "[ . 1 . 2]" 1
1290 1 60 VAL HA 1 60 VAL MG2 . . 3.240 2.364 2.191 2.489 . 0 0 "[ . 1 . 2]" 1
1291 1 60 VAL HA 1 61 ALA H . . 2.910 2.153 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
1292 1 60 VAL HA 1 61 ALA MB . . 4.510 3.989 3.859 4.096 . 0 0 "[ . 1 . 2]" 1
1293 1 60 VAL HB 1 61 ALA H . . 5.010 4.245 4.094 4.396 . 0 0 "[ . 1 . 2]" 1
1294 1 60 VAL QG 1 61 ALA H . . 3.540 2.706 2.409 3.084 . 0 0 "[ . 1 . 2]" 1
1295 1 60 VAL MG1 1 61 ALA H . . 4.350 2.823 2.429 4.001 . 0 0 "[ . 1 . 2]" 1
1296 1 60 VAL MG2 1 61 ALA H . . 4.350 4.025 2.508 4.224 . 0 0 "[ . 1 . 2]" 1
1297 1 61 ALA H 1 61 ALA MB . . 3.360 2.374 2.267 2.501 . 0 0 "[ . 1 . 2]" 1
1298 1 61 ALA HA 1 62 THR H . . 2.860 2.355 2.146 2.424 . 0 0 "[ . 1 . 2]" 1
1299 1 61 ALA HA 1 62 THR HB . . 4.890 4.549 4.462 4.694 . 0 0 "[ . 1 . 2]" 1
1300 1 61 ALA MB 1 62 THR H . . 3.160 2.526 2.338 3.138 . 0 0 "[ . 1 . 2]" 1
1301 1 61 ALA MB 1 62 THR HA . . 4.460 3.983 3.871 4.295 . 0 0 "[ . 1 . 2]" 1
1302 1 61 ALA MB 1 75 LEU QD . . 5.440 4.458 4.303 4.598 . 0 0 "[ . 1 . 2]" 1
1303 1 62 THR H 1 62 THR HB . . 3.150 2.718 2.511 2.871 . 0 0 "[ . 1 . 2]" 1
1304 1 62 THR H 1 62 THR MG . . 3.970 3.876 3.779 3.944 . 0 0 "[ . 1 . 2]" 1
1305 1 62 THR H 1 63 VAL H . . 4.630 4.245 4.031 4.452 . 0 0 "[ . 1 . 2]" 1
1306 1 62 THR HA 1 62 THR MG . . 3.200 2.398 2.336 2.483 . 0 0 "[ . 1 . 2]" 1
1307 1 62 THR HA 1 63 VAL H . . 2.780 2.149 2.141 2.166 . 0 0 "[ . 1 . 2]" 1
1308 1 62 THR HA 1 63 VAL HA . . 4.580 4.395 4.387 4.407 . 0 0 "[ . 1 . 2]" 1
1309 1 62 THR HA 1 63 VAL QG . . 4.210 3.662 3.331 3.984 . 0 0 "[ . 1 . 2]" 1
1310 1 62 THR HB 1 63 VAL H . . 4.560 4.249 4.134 4.330 . 0 0 "[ . 1 . 2]" 1
1311 1 62 THR MG 1 63 VAL H . . 3.330 2.585 2.237 2.903 . 0 0 "[ . 1 . 2]" 1
1312 1 62 THR MG 1 63 VAL HA . . 5.370 3.781 3.550 4.011 . 0 0 "[ . 1 . 2]" 1
1313 1 62 THR MG 1 64 THR H . . 5.500 4.114 3.706 4.619 . 0 0 "[ . 1 . 2]" 1
1314 1 63 VAL H 1 63 VAL HB . . 3.540 2.555 2.411 2.698 . 0 0 "[ . 1 . 2]" 1
1315 1 63 VAL H 1 63 VAL MG1 . . 4.050 3.807 3.735 3.875 . 0 0 "[ . 1 . 2]" 1
1316 1 63 VAL H 1 63 VAL QG . . 3.300 2.609 2.213 2.859 . 0 0 "[ . 1 . 2]" 1
1317 1 63 VAL H 1 63 VAL MG2 . . 4.050 2.662 2.227 2.966 . 0 0 "[ . 1 . 2]" 1
1318 1 63 VAL H 1 64 THR MG . . 4.700 4.106 3.828 4.276 . 0 0 "[ . 1 . 2]" 1
1319 1 63 VAL HA 1 63 VAL MG1 . . 3.420 2.389 2.185 2.516 . 0 0 "[ . 1 . 2]" 1
1320 1 63 VAL HA 1 63 VAL MG2 . . 3.420 2.356 2.162 2.540 . 0 0 "[ . 1 . 2]" 1
1321 1 63 VAL HA 1 64 THR H . . 2.630 2.150 2.139 2.209 . 0 0 "[ . 1 . 2]" 1
1322 1 63 VAL HA 1 64 THR MG . . 4.480 3.620 3.402 3.769 . 0 0 "[ . 1 . 2]" 1
1323 1 63 VAL HB 1 64 THR H . . 4.330 4.241 3.967 4.333 0.003 16 0 "[ . 1 . 2]" 1
1324 1 63 VAL HB 1 66 LEU QD . . 4.460 2.712 2.252 3.193 . 0 0 "[ . 1 . 2]" 1
1325 1 63 VAL HB 1 66 LEU HG . . 4.330 4.050 3.702 4.329 . 0 0 "[ . 1 . 2]" 1
1326 1 63 VAL QG 1 64 THR H . . 3.400 2.665 2.234 2.909 . 0 0 "[ . 1 . 2]" 1
1327 1 63 VAL QG 1 66 LEU H . . 4.610 4.389 4.044 4.600 . 0 0 "[ . 1 . 2]" 1
1328 1 63 VAL QG 1 66 LEU QD . . 3.150 2.041 1.796 2.404 . 0 0 "[ . 1 . 2]" 1
1329 1 63 VAL QG 1 66 LEU HG . . 3.510 2.290 2.061 2.557 . 0 0 "[ . 1 . 2]" 1
1330 1 63 VAL QG 1 73 PHE QE . . 3.390 2.456 2.194 2.835 . 0 0 "[ . 1 . 2]" 1
1331 1 63 VAL QG 1 73 PHE HZ . . 3.390 2.136 1.964 2.420 . 0 0 "[ . 1 . 2]" 1
1332 1 63 VAL QG 1 91 VAL MG2 . . 5.100 4.176 3.773 4.574 . 0 0 "[ . 1 . 2]" 1
1333 1 63 VAL MG1 1 64 THR H . . 4.160 2.706 2.248 2.970 . 0 0 "[ . 1 . 2]" 1
1334 1 63 VAL MG1 1 73 PHE QD . . 4.890 4.478 4.213 4.795 . 0 0 "[ . 1 . 2]" 1
1335 1 63 VAL MG1 1 73 PHE QE . . 3.910 2.912 2.464 3.277 . 0 0 "[ . 1 . 2]" 1
1336 1 63 VAL MG1 1 73 PHE HZ . . 3.990 2.185 1.986 2.489 . 0 0 "[ . 1 . 2]" 1
1337 1 63 VAL MG2 1 64 THR H . . 4.160 4.043 3.814 4.171 0.011 11 0 "[ . 1 . 2]" 1
1338 1 63 VAL MG2 1 73 PHE QD . . 4.890 3.472 3.229 3.938 . 0 0 "[ . 1 . 2]" 1
1339 1 63 VAL MG2 1 73 PHE QE . . 3.910 2.681 2.265 3.103 . 0 0 "[ . 1 . 2]" 1
1340 1 63 VAL MG2 1 73 PHE HZ . . 3.990 3.059 2.624 3.365 . 0 0 "[ . 1 . 2]" 1
1341 1 64 THR H 1 64 THR MG . . 3.600 2.656 2.404 2.848 . 0 0 "[ . 1 . 2]" 1
1342 1 64 THR HB 1 65 GLY H . . 2.990 2.550 2.144 2.880 . 0 0 "[ . 1 . 2]" 1
1343 1 64 THR HB 1 66 LEU H . . 5.300 4.950 4.665 5.253 . 0 0 "[ . 1 . 2]" 1
1344 1 64 THR MG 1 65 GLY H . . 4.020 3.875 3.654 4.019 . 0 0 "[ . 1 . 2]" 1
1345 1 65 GLY H 1 66 LEU H . . 3.200 2.513 2.177 2.702 . 0 0 "[ . 1 . 2]" 1
1346 1 66 LEU H 1 66 LEU HB2 . . 3.200 2.357 2.271 2.455 . 0 0 "[ . 1 . 2]" 1
1347 1 66 LEU H 1 66 LEU HB3 . . 3.730 3.595 3.551 3.626 . 0 0 "[ . 1 . 2]" 1
1348 1 66 LEU H 1 66 LEU MD1 . . 4.290 3.427 3.182 3.575 . 0 0 "[ . 1 . 2]" 1
1349 1 66 LEU H 1 66 LEU QD . . 3.550 3.245 3.040 3.345 . 0 0 "[ . 1 . 2]" 1
1350 1 66 LEU H 1 66 LEU MD2 . . 4.290 4.029 3.776 4.148 . 0 0 "[ . 1 . 2]" 1
1351 1 66 LEU H 1 66 LEU HG . . 2.990 2.812 2.482 2.980 . 0 0 "[ . 1 . 2]" 1
1352 1 66 LEU H 1 93 VAL MG1 . . 5.500 5.457 5.258 5.501 0.001 13 0 "[ . 1 . 2]" 1
1353 1 66 LEU HA 1 66 LEU MD1 . . 4.480 3.882 3.846 3.924 . 0 0 "[ . 1 . 2]" 1
1354 1 66 LEU HA 1 66 LEU QD . . 2.950 2.379 2.095 2.556 . 0 0 "[ . 1 . 2]" 1
1355 1 66 LEU HA 1 66 LEU MD2 . . 4.480 2.403 2.104 2.591 . 0 0 "[ . 1 . 2]" 1
1356 1 66 LEU HA 1 66 LEU HG . . 3.810 2.748 2.628 2.906 . 0 0 "[ . 1 . 2]" 1
1357 1 66 LEU HA 1 67 GLN H . . 2.830 2.352 2.222 2.511 . 0 0 "[ . 1 . 2]" 1
1358 1 66 LEU HA 1 67 GLN HA . . 4.600 4.496 4.413 4.597 . 0 0 "[ . 1 . 2]" 1
1359 1 66 LEU HA 1 67 GLN QB . . 4.840 4.269 4.081 4.472 . 0 0 "[ . 1 . 2]" 1
1360 1 66 LEU HA 1 67 GLN QG . . 4.840 3.560 3.315 3.915 . 0 0 "[ . 1 . 2]" 1
1361 1 66 LEU HA 1 71 TYR QE . . 4.350 3.707 3.322 3.984 . 0 0 "[ . 1 . 2]" 1
1362 1 66 LEU HA 1 71 TYR HH . . 3.910 2.931 2.365 3.357 . 0 0 "[ . 1 . 2]" 1
1363 1 66 LEU HA 1 93 VAL MG2 . . 4.750 4.241 3.900 4.534 . 0 0 "[ . 1 . 2]" 1
1364 1 66 LEU HB2 1 66 LEU MD1 . . 3.550 2.094 1.983 2.277 . 0 0 "[ . 1 . 2]" 1
1365 1 66 LEU HB2 1 66 LEU QD . . 3.090 2.064 1.963 2.229 . 0 0 "[ . 1 . 2]" 1
1366 1 66 LEU HB2 1 66 LEU MD2 . . 3.550 3.139 3.116 3.181 . 0 0 "[ . 1 . 2]" 1
1367 1 66 LEU HB2 1 67 GLN H . . 4.100 3.802 3.452 4.096 . 0 0 "[ . 1 . 2]" 1
1368 1 66 LEU HB2 1 93 VAL MG1 . . 5.220 3.811 3.435 4.062 . 0 0 "[ . 1 . 2]" 1
1369 1 66 LEU HB2 1 93 VAL MG2 . . 4.020 3.311 2.928 3.869 . 0 0 "[ . 1 . 2]" 1
1370 1 66 LEU HB3 1 66 LEU MD1 . . 3.540 2.605 2.460 2.687 . 0 0 "[ . 1 . 2]" 1
1371 1 66 LEU HB3 1 66 LEU QD . . 2.960 2.045 1.957 2.126 . 0 0 "[ . 1 . 2]" 1
1372 1 66 LEU HB3 1 66 LEU MD2 . . 3.540 2.144 2.021 2.297 . 0 0 "[ . 1 . 2]" 1
1373 1 66 LEU HB3 1 67 GLN H . . 3.700 2.562 2.176 2.926 . 0 0 "[ . 1 . 2]" 1
1374 1 66 LEU HB3 1 71 TYR QE . . 4.850 3.542 2.880 4.084 . 0 0 "[ . 1 . 2]" 1
1375 1 66 LEU HB3 1 91 VAL MG1 . . 4.840 4.520 4.217 4.743 . 0 0 "[ . 1 . 2]" 1
1376 1 66 LEU HB3 1 93 VAL MG1 . . 5.050 3.302 2.789 3.580 . 0 0 "[ . 1 . 2]" 1
1377 1 66 LEU HB3 1 93 VAL MG2 . . 3.240 2.257 1.966 2.539 . 0 0 "[ . 1 . 2]" 1
1378 1 66 LEU QD 1 67 GLN H . . 3.580 3.094 2.905 3.371 . 0 0 "[ . 1 . 2]" 1
1379 1 66 LEU QD 1 71 TYR QD . . 3.890 2.788 2.294 3.165 . 0 0 "[ . 1 . 2]" 1
1380 1 66 LEU QD 1 71 TYR QE . . 3.670 2.809 2.430 3.255 . 0 0 "[ . 1 . 2]" 1
1381 1 66 LEU QD 1 71 TYR HH . . 4.430 3.421 2.984 3.931 . 0 0 "[ . 1 . 2]" 1
1382 1 66 LEU QD 1 73 PHE QE . . 3.750 3.080 2.872 3.225 . 0 0 "[ . 1 . 2]" 1
1383 1 66 LEU QD 1 73 PHE HZ . . 3.490 2.646 2.412 2.997 . 0 0 "[ . 1 . 2]" 1
1384 1 66 LEU QD 1 91 VAL MG1 . . 3.180 2.545 2.321 2.770 . 0 0 "[ . 1 . 2]" 1
1385 1 66 LEU QD 1 91 VAL MG2 . . 4.370 3.890 3.679 4.100 . 0 0 "[ . 1 . 2]" 1
1386 1 66 LEU MD1 1 67 GLN H . . 5.010 4.701 4.390 4.980 . 0 0 "[ . 1 . 2]" 1
1387 1 66 LEU MD1 1 91 VAL MG1 . . 3.660 2.925 2.701 3.235 . 0 0 "[ . 1 . 2]" 1
1388 1 66 LEU MD1 1 91 VAL MG2 . . 5.500 4.451 4.177 4.746 . 0 0 "[ . 1 . 2]" 1
1389 1 66 LEU MD1 1 93 VAL MG2 . . 3.430 2.978 2.477 3.257 . 0 0 "[ . 1 . 2]" 1
1390 1 66 LEU MD2 1 67 GLN H . . 5.010 3.139 2.941 3.453 . 0 0 "[ . 1 . 2]" 1
1391 1 66 LEU MD2 1 91 VAL MG1 . . 3.660 2.827 2.418 3.217 . 0 0 "[ . 1 . 2]" 1
1392 1 66 LEU MD2 1 91 VAL MG2 . . 5.500 4.305 4.036 4.597 . 0 0 "[ . 1 . 2]" 1
1393 1 66 LEU MD2 1 93 VAL MG2 . . 3.430 2.778 2.301 3.092 . 0 0 "[ . 1 . 2]" 1
1394 1 66 LEU HG 1 67 GLN H . . 4.880 4.631 4.465 4.749 . 0 0 "[ . 1 . 2]" 1
1395 1 67 GLN H 1 67 GLN HB2 . . 4.080 3.459 2.663 4.048 . 0 0 "[ . 1 . 2]" 1
1396 1 67 GLN H 1 67 GLN QB . . 3.400 3.008 2.613 3.318 . 0 0 "[ . 1 . 2]" 1
1397 1 67 GLN H 1 67 GLN HB3 . . 4.080 3.604 3.103 3.964 . 0 0 "[ . 1 . 2]" 1
1398 1 67 GLN H 1 67 GLN HG2 . . 4.110 3.316 2.372 4.074 . 0 0 "[ . 1 . 2]" 1
1399 1 67 GLN H 1 67 GLN HG3 . . 4.110 3.217 2.201 3.760 . 0 0 "[ . 1 . 2]" 1
1400 1 67 GLN H 1 68 VAL H . . 4.460 4.390 4.300 4.464 0.004 11 0 "[ . 1 . 2]" 1
1401 1 67 GLN H 1 71 TYR QE . . 3.560 2.564 1.960 2.975 . 0 0 "[ . 1 . 2]" 1
1402 1 67 GLN H 1 71 TYR HH . . 3.550 2.871 2.172 3.476 . 0 0 "[ . 1 . 2]" 1
1403 1 67 GLN H 1 93 VAL MG1 . . 4.800 3.729 3.225 4.214 . 0 0 "[ . 1 . 2]" 1
1404 1 67 GLN H 1 93 VAL MG2 . . 4.420 3.244 2.728 4.043 . 0 0 "[ . 1 . 2]" 1
1405 1 67 GLN HA 1 67 GLN HG2 . . 4.210 3.231 2.425 4.217 0.007 9 0 "[ . 1 . 2]" 1
1406 1 67 GLN HA 1 67 GLN QG . . 3.520 2.938 2.373 3.426 . 0 0 "[ . 1 . 2]" 1
1407 1 67 GLN HA 1 67 GLN HG3 . . 4.210 3.533 3.126 3.923 . 0 0 "[ . 1 . 2]" 1
1408 1 67 GLN HA 1 68 VAL H . . 2.880 2.382 2.271 2.505 . 0 0 "[ . 1 . 2]" 1
1409 1 67 GLN HA 1 68 VAL HA . . 4.880 4.296 4.293 4.302 . 0 0 "[ . 1 . 2]" 1
1410 1 67 GLN HA 1 68 VAL QG . . 4.240 3.777 3.661 3.877 . 0 0 "[ . 1 . 2]" 1
1411 1 67 GLN HA 1 93 VAL MG1 . . 4.280 2.954 2.404 3.374 . 0 0 "[ . 1 . 2]" 1
1412 1 67 GLN QB 1 68 VAL H . . 3.060 2.467 2.198 2.714 . 0 0 "[ . 1 . 2]" 1
1413 1 67 GLN QB 1 71 TYR QE . . 5.150 4.463 3.785 5.024 . 0 0 "[ . 1 . 2]" 1
1414 1 67 GLN HB2 1 68 VAL H . . 3.880 2.994 2.217 3.843 . 0 0 "[ . 1 . 2]" 1
1415 1 67 GLN HB3 1 68 VAL H . . 3.880 3.248 2.311 3.875 . 0 0 "[ . 1 . 2]" 1
1416 1 67 GLN QG 1 68 VAL H . . 4.110 3.769 3.297 4.110 0.000 20 0 "[ . 1 . 2]" 1
1417 1 67 GLN QG 1 71 TYR HH . . 4.520 2.946 2.186 3.592 . 0 0 "[ . 1 . 2]" 1
1418 1 67 GLN HG2 1 71 TYR HH . . 5.190 3.813 2.217 5.142 . 0 0 "[ . 1 . 2]" 1
1419 1 67 GLN HG3 1 71 TYR HH . . 5.190 3.617 2.359 4.404 . 0 0 "[ . 1 . 2]" 1
1420 1 68 VAL H 1 68 VAL HB . . 3.060 2.682 2.551 2.835 . 0 0 "[ . 1 . 2]" 1
1421 1 68 VAL H 1 68 VAL MG1 . . 3.780 3.680 1.934 3.784 0.004 16 0 "[ . 1 . 2]" 1
1422 1 68 VAL H 1 68 VAL QG . . 2.760 2.057 1.869 2.276 . 0 0 "[ . 1 . 2]" 1
1423 1 68 VAL H 1 68 VAL MG2 . . 3.780 2.157 1.874 3.735 . 0 0 "[ . 1 . 2]" 1
1424 1 68 VAL H 1 69 GLY H . . 4.650 4.305 4.163 4.467 . 0 0 "[ . 1 . 2]" 1
1425 1 68 VAL H 1 93 VAL HB . . 4.600 4.133 3.808 4.464 . 0 0 "[ . 1 . 2]" 1
1426 1 68 VAL H 1 93 VAL MG1 . . 4.120 3.005 2.722 3.338 . 0 0 "[ . 1 . 2]" 1
1427 1 68 VAL HA 1 68 VAL MG1 . . 3.300 2.433 2.309 3.146 . 0 0 "[ . 1 . 2]" 1
1428 1 68 VAL HA 1 68 VAL QG . . 2.880 2.118 2.043 2.456 . 0 0 "[ . 1 . 2]" 1
1429 1 68 VAL HA 1 68 VAL MG2 . . 3.300 2.337 2.216 2.563 . 0 0 "[ . 1 . 2]" 1
1430 1 68 VAL HA 1 69 GLY H . . 2.660 2.189 2.144 2.256 . 0 0 "[ . 1 . 2]" 1
1431 1 68 VAL HA 1 69 GLY HA2 . . 4.750 4.344 4.323 4.394 . 0 0 "[ . 1 . 2]" 1
1432 1 68 VAL HA 1 69 GLY HA3 . . 4.620 4.454 4.390 4.520 . 0 0 "[ . 1 . 2]" 1
1433 1 68 VAL HA 1 93 VAL H . . 4.330 4.010 3.597 4.285 . 0 0 "[ . 1 . 2]" 1
1434 1 68 VAL HA 1 93 VAL HB . . 3.010 2.424 2.002 2.690 . 0 0 "[ . 1 . 2]" 1
1435 1 68 VAL HA 1 93 VAL MG1 . . 3.210 2.421 2.204 2.660 . 0 0 "[ . 1 . 2]" 1
1436 1 68 VAL HA 1 93 VAL MG2 . . 4.270 4.040 3.706 4.249 . 0 0 "[ . 1 . 2]" 1
1437 1 68 VAL HB 1 69 GLY H . . 4.540 4.396 4.080 4.503 . 0 0 "[ . 1 . 2]" 1
1438 1 68 VAL HB 1 69 GLY HA2 . . 5.500 5.053 4.946 5.576 0.076 20 0 "[ . 1 . 2]" 1
1439 1 68 VAL HB 1 93 VAL MG1 . . 4.680 4.544 3.446 4.681 0.001 15 0 "[ . 1 . 2]" 1
1440 1 68 VAL QG 1 69 GLY H . . 3.190 3.018 2.719 3.186 . 0 0 "[ . 1 . 2]" 1
1441 1 68 VAL QG 1 69 GLY HA2 . . 4.030 3.347 3.070 3.513 . 0 0 "[ . 1 . 2]" 1
1442 1 68 VAL QG 1 69 GLY HA3 . . 4.270 4.108 3.729 4.267 . 0 0 "[ . 1 . 2]" 1
1443 1 68 VAL QG 1 93 VAL H . . 5.050 4.408 4.080 4.648 . 0 0 "[ . 1 . 2]" 1
1444 1 68 VAL QG 1 95 GLU H . . 3.910 3.329 2.633 3.852 . 0 0 "[ . 1 . 2]" 1
1445 1 68 VAL QG 1 95 GLU HA . . 3.670 3.363 2.974 3.653 . 0 0 "[ . 1 . 2]" 1
1446 1 68 VAL QG 1 95 GLU QB . . 3.730 3.259 2.008 3.684 . 0 0 "[ . 1 . 2]" 1
1447 1 68 VAL QG 1 95 GLU QG . . 3.130 2.065 1.801 3.123 . 0 0 "[ . 1 . 2]" 1
1448 1 68 VAL QG 1 96 GLU H . . 5.440 5.039 4.603 5.362 . 0 0 "[ . 1 . 2]" 1
1449 1 68 VAL MG1 1 69 GLY H . . 4.330 3.177 2.787 4.315 . 0 0 "[ . 1 . 2]" 1
1450 1 68 VAL MG1 1 93 VAL HB . . 4.640 4.243 3.862 4.562 . 0 0 "[ . 1 . 2]" 1
1451 1 68 VAL MG1 1 94 LYS H . . 5.500 5.286 5.016 5.491 . 0 0 "[ . 1 . 2]" 1
1452 1 68 VAL MG1 1 94 LYS QB . . 5.500 4.982 4.566 5.365 . 0 0 "[ . 1 . 2]" 1
1453 1 68 VAL MG1 1 95 GLU H . . 4.720 4.172 3.336 4.675 . 0 0 "[ . 1 . 2]" 1
1454 1 68 VAL MG1 1 95 GLU QG . . 3.940 3.267 1.888 3.871 . 0 0 "[ . 1 . 2]" 1
1455 1 68 VAL MG2 1 69 GLY H . . 4.330 4.116 2.749 4.250 . 0 0 "[ . 1 . 2]" 1
1456 1 68 VAL MG2 1 93 VAL HB . . 4.640 4.078 3.649 4.354 . 0 0 "[ . 1 . 2]" 1
1457 1 68 VAL MG2 1 94 LYS H . . 5.500 4.689 4.252 5.082 . 0 0 "[ . 1 . 2]" 1
1458 1 68 VAL MG2 1 94 LYS QB . . 5.500 4.680 4.312 5.042 . 0 0 "[ . 1 . 2]" 1
1459 1 68 VAL MG2 1 95 GLU H . . 4.720 3.522 2.757 4.242 . 0 0 "[ . 1 . 2]" 1
1460 1 68 VAL MG2 1 95 GLU QG . . 3.940 2.144 1.807 3.296 . 0 0 "[ . 1 . 2]" 1
1461 1 69 GLY H 1 70 THR H . . 4.430 4.361 4.275 4.411 . 0 0 "[ . 1 . 2]" 1
1462 1 69 GLY H 1 71 TYR QE . . 4.580 3.609 3.059 4.277 . 0 0 "[ . 1 . 2]" 1
1463 1 69 GLY H 1 92 ILE MG . . 4.620 4.169 3.714 4.549 . 0 0 "[ . 1 . 2]" 1
1464 1 69 GLY H 1 93 VAL H . . 3.510 2.827 2.432 3.097 . 0 0 "[ . 1 . 2]" 1
1465 1 69 GLY H 1 93 VAL HB . . 3.110 2.191 1.950 2.518 . 0 0 "[ . 1 . 2]" 1
1466 1 69 GLY H 1 93 VAL MG1 . . 4.250 3.565 3.334 3.775 . 0 0 "[ . 1 . 2]" 1
1467 1 69 GLY H 1 93 VAL MG2 . . 4.280 3.513 2.990 3.917 . 0 0 "[ . 1 . 2]" 1
1468 1 69 GLY HA2 1 70 THR H . . 2.960 2.705 2.550 2.964 0.004 20 0 "[ . 1 . 2]" 1
1469 1 69 GLY HA2 1 71 TYR QE . . 5.480 4.868 4.397 5.479 . 0 0 "[ . 1 . 2]" 1
1470 1 69 GLY HA3 1 70 THR H . . 3.030 2.433 2.234 2.574 . 0 0 "[ . 1 . 2]" 1
1471 1 69 GLY HA3 1 71 TYR QE . . 5.120 3.499 3.036 4.054 . 0 0 "[ . 1 . 2]" 1
1472 1 70 THR H 1 70 THR HB . . 3.890 3.016 2.717 3.653 . 0 0 "[ . 1 . 2]" 1
1473 1 70 THR H 1 70 THR MG . . 4.060 3.742 3.204 3.973 . 0 0 "[ . 1 . 2]" 1
1474 1 70 THR H 1 71 TYR H . . 4.640 4.388 4.204 4.492 . 0 0 "[ . 1 . 2]" 1
1475 1 70 THR HA 1 70 THR MG . . 3.170 2.232 2.005 2.361 . 0 0 "[ . 1 . 2]" 1
1476 1 70 THR HA 1 71 TYR H . . 2.770 2.167 2.141 2.252 . 0 0 "[ . 1 . 2]" 1
1477 1 70 THR HA 1 71 TYR HB2 . . 4.650 4.509 4.427 4.595 . 0 0 "[ . 1 . 2]" 1
1478 1 70 THR HA 1 71 TYR QD . . 4.110 3.450 3.083 4.095 . 0 0 "[ . 1 . 2]" 1
1479 1 70 THR HA 1 92 ILE HA . . 3.420 3.013 2.649 3.403 . 0 0 "[ . 1 . 2]" 1
1480 1 70 THR HA 1 92 ILE HG12 . . 4.550 4.236 3.954 4.534 . 0 0 "[ . 1 . 2]" 1
1481 1 70 THR HA 1 92 ILE HG13 . . 4.750 4.140 2.848 4.656 . 0 0 "[ . 1 . 2]" 1
1482 1 70 THR HA 1 92 ILE MG . . 4.450 4.319 3.922 4.451 0.001 9 0 "[ . 1 . 2]" 1
1483 1 70 THR HA 1 93 VAL H . . 4.560 4.089 3.854 4.401 . 0 0 "[ . 1 . 2]" 1
1484 1 70 THR HB 1 71 TYR H . . 4.560 3.804 3.066 4.185 . 0 0 "[ . 1 . 2]" 1
1485 1 70 THR HB 1 72 VAL H . . 5.500 5.329 4.911 5.500 . 0 0 "[ . 1 . 2]" 1
1486 1 70 THR MG 1 71 TYR H . . 3.640 2.789 2.023 3.639 . 0 0 "[ . 1 . 2]" 1
1487 1 70 THR MG 1 90 ASN HA . . 5.060 4.141 3.549 5.016 . 0 0 "[ . 1 . 2]" 1
1488 1 70 THR MG 1 90 ASN QB . . 5.240 3.904 3.420 4.371 . 0 0 "[ . 1 . 2]" 1
1489 1 70 THR MG 1 91 VAL H . . 5.100 3.844 3.154 4.785 . 0 0 "[ . 1 . 2]" 1
1490 1 70 THR MG 1 92 ILE HG12 . . 3.920 3.178 2.249 3.769 . 0 0 "[ . 1 . 2]" 1
1491 1 70 THR MG 1 92 ILE HG13 . . 3.960 3.226 2.333 3.880 . 0 0 "[ . 1 . 2]" 1
1492 1 71 TYR H 1 71 TYR HB2 . . 3.540 2.639 2.486 2.868 . 0 0 "[ . 1 . 2]" 1
1493 1 71 TYR H 1 71 TYR HB3 . . 3.920 3.776 3.687 3.908 . 0 0 "[ . 1 . 2]" 1
1494 1 71 TYR H 1 71 TYR QD . . 3.290 2.818 2.409 3.228 . 0 0 "[ . 1 . 2]" 1
1495 1 71 TYR H 1 71 TYR QE . . 5.210 4.899 4.583 5.197 . 0 0 "[ . 1 . 2]" 1
1496 1 71 TYR H 1 72 VAL H . . 4.720 4.242 4.038 4.428 . 0 0 "[ . 1 . 2]" 1
1497 1 71 TYR H 1 90 ASN HA . . 4.940 4.710 4.520 4.924 . 0 0 "[ . 1 . 2]" 1
1498 1 71 TYR H 1 91 VAL H . . 3.580 3.114 2.830 3.264 . 0 0 "[ . 1 . 2]" 1
1499 1 71 TYR H 1 91 VAL HB . . 4.260 3.082 2.665 3.482 . 0 0 "[ . 1 . 2]" 1
1500 1 71 TYR H 1 91 VAL MG2 . . 5.180 4.432 4.116 4.786 . 0 0 "[ . 1 . 2]" 1
1501 1 71 TYR H 1 92 ILE HA . . 4.190 3.905 3.687 4.158 . 0 0 "[ . 1 . 2]" 1
1502 1 71 TYR H 1 93 VAL MG2 . . 5.500 4.731 4.229 5.128 . 0 0 "[ . 1 . 2]" 1
1503 1 71 TYR HA 1 71 TYR QD . . 4.400 3.003 2.718 3.130 . 0 0 "[ . 1 . 2]" 1
1504 1 71 TYR HA 1 72 VAL H . . 2.950 2.142 2.137 2.170 . 0 0 "[ . 1 . 2]" 1
1505 1 71 TYR HA 1 72 VAL MG2 . . 4.270 3.512 3.327 3.727 . 0 0 "[ . 1 . 2]" 1
1506 1 71 TYR HB2 1 72 VAL H . . 4.580 4.304 4.120 4.408 . 0 0 "[ . 1 . 2]" 1
1507 1 71 TYR HB2 1 73 PHE QE . . 3.880 2.376 2.037 2.761 . 0 0 "[ . 1 . 2]" 1
1508 1 71 TYR HB2 1 91 VAL H . . 3.960 3.878 3.722 3.961 0.001 5 0 "[ . 1 . 2]" 1
1509 1 71 TYR HB2 1 91 VAL HB . . 3.440 2.023 1.998 2.159 . 0 0 "[ . 1 . 2]" 1
1510 1 71 TYR HB2 1 91 VAL MG1 . . 4.220 2.897 2.578 3.234 . 0 0 "[ . 1 . 2]" 1
1511 1 71 TYR HB2 1 91 VAL MG2 . . 4.140 3.402 3.230 3.646 . 0 0 "[ . 1 . 2]" 1
1512 1 71 TYR HB2 1 93 VAL MG2 . . 5.400 4.378 4.155 4.717 . 0 0 "[ . 1 . 2]" 1
1513 1 71 TYR HB3 1 72 VAL H . . 3.550 3.443 3.156 3.544 . 0 0 "[ . 1 . 2]" 1
1514 1 71 TYR HB3 1 73 PHE H . . 5.500 4.922 4.553 5.198 . 0 0 "[ . 1 . 2]" 1
1515 1 71 TYR HB3 1 73 PHE QD . . 4.940 3.757 3.588 3.950 . 0 0 "[ . 1 . 2]" 1
1516 1 71 TYR HB3 1 73 PHE QE . . 3.900 2.358 2.083 2.694 . 0 0 "[ . 1 . 2]" 1
1517 1 71 TYR HB3 1 73 PHE HZ . . 4.960 2.709 2.419 2.952 . 0 0 "[ . 1 . 2]" 1
1518 1 71 TYR HB3 1 91 VAL H . . 5.500 4.939 4.652 5.076 . 0 0 "[ . 1 . 2]" 1
1519 1 71 TYR HB3 1 91 VAL HB . . 3.910 3.424 3.072 3.597 . 0 0 "[ . 1 . 2]" 1
1520 1 71 TYR HB3 1 91 VAL MG2 . . 4.850 4.025 3.781 4.249 . 0 0 "[ . 1 . 2]" 1
1521 1 71 TYR QD 1 72 VAL H . . 4.500 4.323 3.950 4.501 0.001 10 0 "[ . 1 . 2]" 1
1522 1 71 TYR QD 1 91 VAL H . . 5.500 5.119 4.850 5.442 . 0 0 "[ . 1 . 2]" 1
1523 1 71 TYR QD 1 91 VAL HB . . 4.260 3.615 3.307 3.886 . 0 0 "[ . 1 . 2]" 1
1524 1 71 TYR QD 1 91 VAL MG1 . . 4.030 3.293 2.935 3.611 . 0 0 "[ . 1 . 2]" 1
1525 1 71 TYR QD 1 93 VAL MG2 . . 3.630 2.872 2.462 3.180 . 0 0 "[ . 1 . 2]" 1
1526 1 71 TYR QE 1 93 VAL H . . 5.500 4.819 4.304 5.471 . 0 0 "[ . 1 . 2]" 1
1527 1 71 TYR QE 1 93 VAL HB . . 4.270 3.538 3.106 4.090 . 0 0 "[ . 1 . 2]" 1
1528 1 71 TYR QE 1 93 VAL MG1 . . 4.910 4.269 3.848 4.607 . 0 0 "[ . 1 . 2]" 1
1529 1 71 TYR QE 1 93 VAL MG2 . . 3.390 2.781 2.287 3.281 . 0 0 "[ . 1 . 2]" 1
1530 1 72 VAL H 1 72 VAL HB . . 3.330 2.680 2.577 2.751 . 0 0 "[ . 1 . 2]" 1
1531 1 72 VAL H 1 72 VAL MG1 . . 4.480 3.859 3.822 3.895 . 0 0 "[ . 1 . 2]" 1
1532 1 72 VAL H 1 72 VAL MG2 . . 3.380 2.446 2.288 2.670 . 0 0 "[ . 1 . 2]" 1
1533 1 72 VAL H 1 73 PHE H . . 4.510 4.206 4.067 4.299 . 0 0 "[ . 1 . 2]" 1
1534 1 72 VAL HA 1 72 VAL MG1 . . 3.100 2.297 2.184 2.422 . 0 0 "[ . 1 . 2]" 1
1535 1 72 VAL HA 1 72 VAL MG2 . . 3.230 2.475 2.327 2.560 . 0 0 "[ . 1 . 2]" 1
1536 1 72 VAL HA 1 73 PHE H . . 2.700 2.159 2.141 2.191 . 0 0 "[ . 1 . 2]" 1
1537 1 72 VAL HA 1 73 PHE QD . . 4.530 3.889 3.544 4.165 . 0 0 "[ . 1 . 2]" 1
1538 1 72 VAL HA 1 90 ASN HA . . 3.440 3.338 3.113 3.441 0.001 15 0 "[ . 1 . 2]" 1
1539 1 72 VAL HB 1 73 PHE H . . 4.700 4.303 4.201 4.373 . 0 0 "[ . 1 . 2]" 1
1540 1 72 VAL MG1 1 73 PHE H . . 3.130 2.982 2.769 3.134 0.004 13 0 "[ . 1 . 2]" 1
1541 1 72 VAL MG1 1 73 PHE HA . . 4.810 4.005 3.725 4.181 . 0 0 "[ . 1 . 2]" 1
1542 1 72 VAL MG1 1 74 THR H . . 4.720 4.303 4.025 4.534 . 0 0 "[ . 1 . 2]" 1
1543 1 72 VAL MG1 1 74 THR HG1 . . 5.010 3.563 2.924 4.329 . 0 0 "[ . 1 . 2]" 1
1544 1 72 VAL MG1 1 88 SER H . . 5.330 5.095 4.884 5.322 . 0 0 "[ . 1 . 2]" 1
1545 1 72 VAL MG1 1 88 SER HA . . 4.260 3.695 3.413 4.031 . 0 0 "[ . 1 . 2]" 1
1546 1 72 VAL MG1 1 88 SER HB2 . . 3.300 2.421 1.935 3.253 . 0 0 "[ . 1 . 2]" 1
1547 1 72 VAL MG1 1 88 SER HB3 . . 3.300 2.755 1.931 3.269 . 0 0 "[ . 1 . 2]" 1
1548 1 72 VAL MG1 1 89 VAL H . . 3.860 3.101 2.782 3.515 . 0 0 "[ . 1 . 2]" 1
1549 1 72 VAL MG1 1 90 ASN HA . . 4.320 3.835 3.380 4.073 . 0 0 "[ . 1 . 2]" 1
1550 1 72 VAL MG2 1 73 PHE H . . 4.720 4.255 4.131 4.318 . 0 0 "[ . 1 . 2]" 1
1551 1 72 VAL MG2 1 90 ASN HA . . 3.690 3.331 3.048 3.544 . 0 0 "[ . 1 . 2]" 1
1552 1 72 VAL MG2 1 91 VAL H . . 5.030 3.939 3.643 4.129 . 0 0 "[ . 1 . 2]" 1
1553 1 73 PHE H 1 73 PHE HB2 . . 3.540 2.576 2.526 2.621 . 0 0 "[ . 1 . 2]" 1
1554 1 73 PHE H 1 73 PHE HB3 . . 4.040 3.710 3.677 3.747 . 0 0 "[ . 1 . 2]" 1
1555 1 73 PHE H 1 73 PHE QD . . 3.530 2.595 2.380 2.785 . 0 0 "[ . 1 . 2]" 1
1556 1 73 PHE H 1 73 PHE QE . . 4.860 4.521 4.371 4.632 . 0 0 "[ . 1 . 2]" 1
1557 1 73 PHE H 1 88 SER HA . . 4.740 4.504 4.328 4.619 . 0 0 "[ . 1 . 2]" 1
1558 1 73 PHE H 1 88 SER QB . . 4.490 4.212 3.797 4.489 . 0 0 "[ . 1 . 2]" 1
1559 1 73 PHE H 1 89 VAL H . . 3.510 2.930 2.764 3.097 . 0 0 "[ . 1 . 2]" 1
1560 1 73 PHE H 1 89 VAL MG1 . . 5.140 2.505 2.163 2.858 . 0 0 "[ . 1 . 2]" 1
1561 1 73 PHE H 1 89 VAL QG . . 3.650 2.495 2.159 2.841 . 0 0 "[ . 1 . 2]" 1
1562 1 73 PHE H 1 89 VAL MG2 . . 5.140 4.715 4.501 5.003 . 0 0 "[ . 1 . 2]" 1
1563 1 73 PHE H 1 90 ASN HA . . 4.790 4.635 4.457 4.789 . 0 0 "[ . 1 . 2]" 1
1564 1 73 PHE H 1 91 VAL MG2 . . 4.370 3.537 3.294 3.846 . 0 0 "[ . 1 . 2]" 1
1565 1 73 PHE HA 1 73 PHE QD . . 3.670 2.877 2.717 3.049 . 0 0 "[ . 1 . 2]" 1
1566 1 73 PHE HA 1 74 THR H . . 2.860 2.142 2.138 2.153 . 0 0 "[ . 1 . 2]" 1
1567 1 73 PHE HA 1 74 THR HB . . 4.970 4.551 4.409 4.777 . 0 0 "[ . 1 . 2]" 1
1568 1 73 PHE HB2 1 74 THR H . . 4.570 4.233 4.147 4.314 . 0 0 "[ . 1 . 2]" 1
1569 1 73 PHE HB2 1 89 VAL H . . 4.730 3.938 3.713 4.107 . 0 0 "[ . 1 . 2]" 1
1570 1 73 PHE HB2 1 89 VAL QG . . 3.270 2.428 2.250 2.557 . 0 0 "[ . 1 . 2]" 1
1571 1 73 PHE HB2 1 91 VAL MG2 . . 4.460 3.779 3.575 3.953 . 0 0 "[ . 1 . 2]" 1
1572 1 73 PHE HB3 1 74 THR H . . 3.910 3.417 3.269 3.593 . 0 0 "[ . 1 . 2]" 1
1573 1 73 PHE HB3 1 89 VAL QG . . 3.930 3.767 3.565 3.926 . 0 0 "[ . 1 . 2]" 1
1574 1 73 PHE QD 1 74 THR H . . 4.470 4.317 4.217 4.462 . 0 0 "[ . 1 . 2]" 1
1575 1 73 PHE QD 1 89 VAL H . . 5.140 4.771 4.575 4.960 . 0 0 "[ . 1 . 2]" 1
1576 1 73 PHE QD 1 89 VAL QG . . 3.700 2.777 2.479 3.052 . 0 0 "[ . 1 . 2]" 1
1577 1 73 PHE QD 1 91 VAL H . . 4.660 4.454 4.065 4.619 . 0 0 "[ . 1 . 2]" 1
1578 1 73 PHE QD 1 91 VAL HB . . 4.260 3.563 3.344 3.801 . 0 0 "[ . 1 . 2]" 1
1579 1 73 PHE QD 1 91 VAL MG1 . . 4.470 4.134 3.918 4.290 . 0 0 "[ . 1 . 2]" 1
1580 1 73 PHE QD 1 91 VAL MG2 . . 3.210 2.029 1.852 2.175 . 0 0 "[ . 1 . 2]" 1
1581 1 73 PHE QE 1 89 VAL QG . . 5.280 4.418 4.131 4.694 . 0 0 "[ . 1 . 2]" 1
1582 1 73 PHE QE 1 91 VAL H . . 4.940 4.748 4.312 4.940 . 0 0 "[ . 1 . 2]" 1
1583 1 73 PHE QE 1 91 VAL HB . . 3.670 2.669 2.397 2.841 . 0 0 "[ . 1 . 2]" 1
1584 1 73 PHE QE 1 91 VAL MG1 . . 3.910 2.871 2.508 3.085 . 0 0 "[ . 1 . 2]" 1
1585 1 73 PHE QE 1 91 VAL MG2 . . 3.410 2.471 2.036 2.779 . 0 0 "[ . 1 . 2]" 1
1586 1 73 PHE HZ 1 91 VAL MG2 . . 4.790 4.564 4.175 4.789 . 0 0 "[ . 1 . 2]" 1
1587 1 74 THR H 1 74 THR HB . . 3.320 2.478 2.369 2.651 . 0 0 "[ . 1 . 2]" 1
1588 1 74 THR H 1 74 THR MG . . 4.170 3.772 3.701 3.838 . 0 0 "[ . 1 . 2]" 1
1589 1 74 THR H 1 75 LEU H . . 4.810 4.427 4.204 4.573 . 0 0 "[ . 1 . 2]" 1
1590 1 74 THR H 1 88 SER HA . . 4.970 4.416 4.271 4.613 . 0 0 "[ . 1 . 2]" 1
1591 1 74 THR HA 1 74 THR MG . . 3.230 2.420 2.261 2.498 . 0 0 "[ . 1 . 2]" 1
1592 1 74 THR HA 1 75 LEU H . . 2.860 2.169 2.142 2.240 . 0 0 "[ . 1 . 2]" 1
1593 1 74 THR HA 1 88 SER HA . . 3.020 2.096 2.007 2.261 . 0 0 "[ . 1 . 2]" 1
1594 1 74 THR HA 1 88 SER HB2 . . 4.610 4.177 3.520 4.610 . 11 0 "[ . 1 . 2]" 1
1595 1 74 THR HA 1 88 SER QB . . 3.980 3.209 2.530 3.499 . 0 0 "[ . 1 . 2]" 1
1596 1 74 THR HA 1 88 SER HB3 . . 4.610 3.341 2.594 3.630 . 0 0 "[ . 1 . 2]" 1
1597 1 74 THR HA 1 89 VAL H . . 4.020 3.840 3.691 4.011 . 0 0 "[ . 1 . 2]" 1
1598 1 74 THR HB 1 75 LEU H . . 4.570 4.235 4.004 4.471 . 0 0 "[ . 1 . 2]" 1
1599 1 74 THR MG 1 75 LEU H . . 3.430 2.523 2.083 2.999 . 0 0 "[ . 1 . 2]" 1
1600 1 74 THR MG 1 76 THR H . . 4.500 3.773 3.316 4.499 . 0 0 "[ . 1 . 2]" 1
1601 1 74 THR MG 1 86 GLN HA . . 4.680 3.576 3.050 4.134 . 0 0 "[ . 1 . 2]" 1
1602 1 74 THR MG 1 86 GLN HB2 . . 4.500 3.068 1.847 4.271 . 0 0 "[ . 1 . 2]" 1
1603 1 74 THR MG 1 86 GLN QB . . 3.710 2.803 1.832 3.683 . 0 0 "[ . 1 . 2]" 1
1604 1 74 THR MG 1 86 GLN HB3 . . 4.500 3.594 3.039 4.089 . 0 0 "[ . 1 . 2]" 1
1605 1 74 THR MG 1 86 GLN HE21 . . 4.180 3.424 1.864 4.094 . 0 0 "[ . 1 . 2]" 1
1606 1 74 THR MG 1 86 GLN QE . . 3.660 3.138 1.848 3.577 . 0 0 "[ . 1 . 2]" 1
1607 1 74 THR MG 1 86 GLN HE22 . . 4.180 3.750 2.934 4.140 . 0 0 "[ . 1 . 2]" 1
1608 1 74 THR MG 1 86 GLN HG2 . . 4.050 2.648 1.787 3.551 . 0 0 "[ . 1 . 2]" 1
1609 1 74 THR MG 1 86 GLN QG . . 3.530 1.905 1.700 2.196 . 0 0 "[ . 1 . 2]" 1
1610 1 74 THR MG 1 86 GLN HG3 . . 4.050 2.135 1.866 2.602 . 0 0 "[ . 1 . 2]" 1
1611 1 74 THR MG 1 87 SER H . . 3.310 2.667 2.127 3.269 . 0 0 "[ . 1 . 2]" 1
1612 1 74 THR MG 1 88 SER H . . 4.970 4.149 3.650 4.508 . 0 0 "[ . 1 . 2]" 1
1613 1 74 THR MG 1 88 SER HA . . 4.110 3.670 3.313 3.970 . 0 0 "[ . 1 . 2]" 1
1614 1 74 THR MG 1 88 SER HB2 . . 5.050 4.811 4.289 5.052 0.002 17 0 "[ . 1 . 2]" 1
1615 1 74 THR MG 1 88 SER QB . . 4.430 3.590 2.743 4.344 . 0 0 "[ . 1 . 2]" 1
1616 1 74 THR MG 1 88 SER HB3 . . 5.050 3.745 2.775 4.757 . 0 0 "[ . 1 . 2]" 1
1617 1 75 LEU H 1 75 LEU HB2 . . 3.940 3.104 2.880 3.276 . 0 0 "[ . 1 . 2]" 1
1618 1 75 LEU H 1 75 LEU QB . . 3.400 2.256 2.132 2.412 . 0 0 "[ . 1 . 2]" 1
1619 1 75 LEU H 1 75 LEU HB3 . . 3.940 2.317 2.177 2.489 . 0 0 "[ . 1 . 2]" 1
1620 1 75 LEU H 1 75 LEU MD1 . . 4.810 4.370 4.240 4.547 . 0 0 "[ . 1 . 2]" 1
1621 1 75 LEU H 1 75 LEU QD . . 4.230 3.785 3.419 3.920 . 0 0 "[ . 1 . 2]" 1
1622 1 75 LEU H 1 75 LEU MD2 . . 4.810 4.163 3.534 4.395 . 0 0 "[ . 1 . 2]" 1
1623 1 75 LEU H 1 75 LEU HG . . 4.880 4.194 4.046 4.481 . 0 0 "[ . 1 . 2]" 1
1624 1 75 LEU H 1 87 SER H . . 3.540 2.766 2.456 3.124 . 0 0 "[ . 1 . 2]" 1
1625 1 75 LEU H 1 87 SER QB . . 5.240 3.928 3.408 4.589 . 0 0 "[ . 1 . 2]" 1
1626 1 75 LEU H 1 88 SER HA . . 3.800 3.376 3.039 3.778 . 0 0 "[ . 1 . 2]" 1
1627 1 75 LEU HA 1 75 LEU MD1 . . 4.370 2.449 2.006 3.613 . 0 0 "[ . 1 . 2]" 1
1628 1 75 LEU HA 1 75 LEU QD . . 3.120 2.411 2.000 3.211 0.091 15 0 "[ . 1 . 2]" 1
1629 1 75 LEU HA 1 75 LEU MD2 . . 4.370 3.962 3.594 4.021 . 0 0 "[ . 1 . 2]" 1
1630 1 75 LEU HA 1 76 THR H . . 2.850 2.164 2.141 2.217 . 0 0 "[ . 1 . 2]" 1
1631 1 75 LEU HA 1 76 THR HB . . 5.010 4.773 4.530 4.966 . 0 0 "[ . 1 . 2]" 1
1632 1 75 LEU QB 1 75 LEU QD . . 2.830 1.891 1.827 1.941 . 0 0 "[ . 1 . 2]" 1
1633 1 75 LEU QB 1 76 THR H . . 4.410 3.864 3.531 3.944 . 0 0 "[ . 1 . 2]" 1
1634 1 75 LEU QB 1 87 SER H . . 4.460 3.475 3.090 4.328 . 0 0 "[ . 1 . 2]" 1
1635 1 75 LEU QB 1 87 SER QB . . 4.040 3.395 2.369 4.038 . 0 0 "[ . 1 . 2]" 1
1636 1 75 LEU QD 1 76 THR H . . 3.340 2.928 2.502 3.302 . 0 0 "[ . 1 . 2]" 1
1637 1 75 LEU QD 1 76 THR HA . . 5.080 4.081 2.932 4.420 . 0 0 "[ . 1 . 2]" 1
1638 1 75 LEU QD 1 77 VAL QG . . 2.800 1.957 1.786 2.300 . 0 0 "[ . 1 . 2]" 1
1639 1 75 LEU QD 1 87 SER QB . . 4.530 3.543 2.712 4.258 . 0 0 "[ . 1 . 2]" 1
1640 1 75 LEU HG 1 76 THR H . . 4.890 3.633 2.317 4.143 . 0 0 "[ . 1 . 2]" 1
1641 1 75 LEU HG 1 77 VAL MG1 . . 4.860 2.288 1.984 2.751 . 0 0 "[ . 1 . 2]" 1
1642 1 75 LEU HG 1 77 VAL QG . . 3.350 2.245 1.978 2.735 . 0 0 "[ . 1 . 2]" 1
1643 1 75 LEU HG 1 77 VAL MG2 . . 4.860 3.556 2.898 4.762 . 0 0 "[ . 1 . 2]" 1
1644 1 76 THR H 1 76 THR HB . . 3.400 2.660 2.441 2.804 . 0 0 "[ . 1 . 2]" 1
1645 1 76 THR H 1 76 THR MG . . 3.900 3.824 3.753 3.893 . 0 0 "[ . 1 . 2]" 1
1646 1 76 THR H 1 77 VAL QG . . 4.770 3.882 3.680 4.166 . 0 0 "[ . 1 . 2]" 1
1647 1 76 THR HA 1 76 THR MG . . 3.170 2.301 2.076 2.509 . 0 0 "[ . 1 . 2]" 1
1648 1 76 THR HA 1 77 VAL H . . 2.850 2.153 2.141 2.198 . 0 0 "[ . 1 . 2]" 1
1649 1 76 THR HA 1 77 VAL MG1 . . 4.990 3.836 3.574 4.315 . 0 0 "[ . 1 . 2]" 1
1650 1 76 THR HA 1 77 VAL QG . . 4.270 3.394 3.328 3.480 . 0 0 "[ . 1 . 2]" 1
1651 1 76 THR HA 1 77 VAL MG2 . . 4.990 3.855 3.540 4.239 . 0 0 "[ . 1 . 2]" 1
1652 1 76 THR HA 1 85 SER H . . 4.950 4.475 4.073 4.792 . 0 0 "[ . 1 . 2]" 1
1653 1 76 THR HA 1 86 GLN HA . . 3.310 2.698 2.223 3.065 . 0 0 "[ . 1 . 2]" 1
1654 1 76 THR HA 1 86 GLN QB . . 4.560 3.239 1.893 4.564 0.004 13 0 "[ . 1 . 2]" 1
1655 1 76 THR HA 1 86 GLN HG2 . . 4.930 4.753 4.436 4.930 . 0 0 "[ . 1 . 2]" 1
1656 1 76 THR HA 1 86 GLN QG . . 4.280 3.944 3.455 4.266 . 0 0 "[ . 1 . 2]" 1
1657 1 76 THR HA 1 86 GLN HG3 . . 4.930 4.283 3.543 4.803 . 0 0 "[ . 1 . 2]" 1
1658 1 76 THR HA 1 87 SER H . . 5.150 4.083 3.768 4.436 . 0 0 "[ . 1 . 2]" 1
1659 1 76 THR HB 1 77 VAL H . . 4.910 4.210 3.830 4.408 . 0 0 "[ . 1 . 2]" 1
1660 1 76 THR MG 1 77 VAL H . . 3.460 2.824 2.461 3.100 . 0 0 "[ . 1 . 2]" 1
1661 1 76 THR MG 1 77 VAL HA . . 4.960 3.819 3.439 4.227 . 0 0 "[ . 1 . 2]" 1
1662 1 76 THR MG 1 78 LYS HB2 . . 5.210 5.085 4.897 5.210 0.000 12 0 "[ . 1 . 2]" 1
1663 1 76 THR MG 1 78 LYS QE . . 4.560 3.483 3.005 4.150 . 0 0 "[ . 1 . 2]" 1
1664 1 76 THR MG 1 78 LYS HG2 . . 5.340 4.904 4.531 5.148 . 0 0 "[ . 1 . 2]" 1
1665 1 76 THR MG 1 84 GLN HA . . 4.570 4.002 3.472 4.312 . 0 0 "[ . 1 . 2]" 1
1666 1 76 THR MG 1 84 GLN QE . . 4.480 3.318 1.865 4.365 . 0 0 "[ . 1 . 2]" 1
1667 1 76 THR MG 1 84 GLN QG . . 3.180 2.855 1.996 3.171 . 0 0 "[ . 1 . 2]" 1
1668 1 76 THR MG 1 85 SER H . . 4.000 3.348 2.572 3.893 . 0 0 "[ . 1 . 2]" 1
1669 1 76 THR MG 1 86 GLN HA . . 4.660 3.908 3.570 4.445 . 0 0 "[ . 1 . 2]" 1
1670 1 76 THR MG 1 86 GLN QE . . 4.270 3.539 2.028 4.250 . 0 0 "[ . 1 . 2]" 1
1671 1 76 THR MG 1 86 GLN QG . . 4.090 3.857 3.550 4.062 . 0 0 "[ . 1 . 2]" 1
1672 1 77 VAL H 1 77 VAL MG1 . . 4.230 2.898 2.541 3.194 . 0 0 "[ . 1 . 2]" 1
1673 1 77 VAL H 1 77 VAL QG . . 3.500 2.103 1.918 2.279 . 0 0 "[ . 1 . 2]" 1
1674 1 77 VAL H 1 77 VAL MG2 . . 4.230 2.177 1.934 2.393 . 0 0 "[ . 1 . 2]" 1
1675 1 77 VAL H 1 84 GLN HA . . 5.450 5.094 4.568 5.277 . 0 0 "[ . 1 . 2]" 1
1676 1 77 VAL H 1 85 SER H . . 3.770 3.473 3.053 3.705 . 0 0 "[ . 1 . 2]" 1
1677 1 77 VAL H 1 86 GLN HA . . 4.320 3.603 2.810 4.307 . 0 0 "[ . 1 . 2]" 1
1678 1 77 VAL HA 1 78 LYS H . . 3.420 2.336 2.196 2.532 . 0 0 "[ . 1 . 2]" 1
1679 1 77 VAL HB 1 78 LYS H . . 4.390 2.608 2.229 3.024 . 0 0 "[ . 1 . 2]" 1
1680 1 77 VAL QG 1 78 LYS H . . 4.210 3.159 2.648 3.408 . 0 0 "[ . 1 . 2]" 1
1681 1 77 VAL QG 1 78 LYS HA . . 4.690 3.686 3.206 4.153 . 0 0 "[ . 1 . 2]" 1
1682 1 77 VAL QG 1 84 GLN HA . . 5.280 4.871 4.500 5.222 . 0 0 "[ . 1 . 2]" 1
1683 1 77 VAL QG 1 85 SER H . . 3.920 3.600 3.214 3.877 . 0 0 "[ . 1 . 2]" 1
1684 1 77 VAL QG 1 85 SER QB . . 3.890 2.868 2.031 3.557 . 0 0 "[ . 1 . 2]" 1
1685 1 77 VAL MG1 1 78 LYS H . . 5.160 3.753 3.274 4.032 . 0 0 "[ . 1 . 2]" 1
1686 1 77 VAL MG2 1 78 LYS H . . 5.160 3.480 2.701 4.060 . 0 0 "[ . 1 . 2]" 1
1687 1 78 LYS H 1 78 LYS HB2 . . 4.200 2.556 2.386 2.746 . 0 0 "[ . 1 . 2]" 1
1688 1 78 LYS HA 1 78 LYS HG2 . . 4.060 2.535 2.409 2.670 . 0 0 "[ . 1 . 2]" 1
1689 1 78 LYS HA 1 78 LYS HG3 . . 4.230 2.633 2.496 2.765 . 0 0 "[ . 1 . 2]" 1
1690 1 78 LYS HA 1 79 ASP H . . 2.900 2.254 2.140 2.405 . 0 0 "[ . 1 . 2]" 1
1691 1 78 LYS HA 1 83 LEU H . . 4.470 4.266 3.931 4.440 . 0 0 "[ . 1 . 2]" 1
1692 1 78 LYS HA 1 84 GLN HA . . 3.650 3.401 3.074 3.597 . 0 0 "[ . 1 . 2]" 1
1693 1 78 LYS HA 1 84 GLN QB . . 5.420 5.259 4.767 5.420 0.000 14 0 "[ . 1 . 2]" 1
1694 1 78 LYS HA 1 85 SER H . . 4.090 3.870 3.607 4.090 0.000 6 0 "[ . 1 . 2]" 1
1695 1 78 LYS HB2 1 79 ASP H . . 4.810 4.181 3.838 4.525 . 0 0 "[ . 1 . 2]" 1
1696 1 78 LYS HB2 1 82 ASN HA . . 5.000 4.666 4.542 4.799 . 0 0 "[ . 1 . 2]" 1
1697 1 78 LYS HB3 1 78 LYS QE . . 4.940 3.649 2.903 4.194 . 0 0 "[ . 1 . 2]" 1
1698 1 78 LYS HB3 1 79 ASP H . . 4.370 3.006 2.465 3.685 . 0 0 "[ . 1 . 2]" 1
1699 1 78 LYS HB3 1 82 ASN H . . 4.550 4.450 4.284 4.533 . 0 0 "[ . 1 . 2]" 1
1700 1 78 LYS HB3 1 82 ASN HA . . 4.000 2.992 2.819 3.134 . 0 0 "[ . 1 . 2]" 1
1701 1 78 LYS QD 1 82 ASN HA . . 4.310 3.457 3.114 3.789 . 0 0 "[ . 1 . 2]" 1
1702 1 78 LYS QD 1 84 GLN HA . . 5.330 4.101 3.659 4.653 . 0 0 "[ . 1 . 2]" 1
1703 1 78 LYS QD 1 84 GLN QG . . 4.520 3.723 2.009 4.353 . 0 0 "[ . 1 . 2]" 1
1704 1 78 LYS QE 1 82 ASN HA . . 5.500 5.138 3.691 5.500 . 5 0 "[ . 1 . 2]" 1
1705 1 78 LYS QE 1 84 GLN QB . . 5.280 4.609 3.018 5.280 . 5 0 "[ . 1 . 2]" 1
1706 1 78 LYS QE 1 84 GLN QG . . 4.970 3.495 2.005 4.641 . 0 0 "[ . 1 . 2]" 1
1707 1 78 LYS HG2 1 79 ASP H . . 4.760 3.640 3.399 4.111 . 0 0 "[ . 1 . 2]" 1
1708 1 78 LYS HG2 1 82 ASN H . . 5.490 5.416 5.227 5.494 0.004 12 0 "[ . 1 . 2]" 1
1709 1 78 LYS HG2 1 82 ASN HA . . 4.000 3.501 3.228 3.729 . 0 0 "[ . 1 . 2]" 1
1710 1 78 LYS HG2 1 84 GLN HA . . 4.450 2.788 2.418 3.104 . 0 0 "[ . 1 . 2]" 1
1711 1 78 LYS HG2 1 84 GLN QB . . 4.450 3.862 3.129 4.395 . 0 0 "[ . 1 . 2]" 1
1712 1 78 LYS HG2 1 84 GLN HG2 . . 5.030 4.504 3.497 5.003 . 0 0 "[ . 1 . 2]" 1
1713 1 78 LYS HG2 1 84 GLN HG3 . . 5.030 4.155 2.389 4.990 . 0 0 "[ . 1 . 2]" 1
1714 1 78 LYS HG3 1 79 ASP H . . 5.030 4.520 4.308 4.797 . 0 0 "[ . 1 . 2]" 1
1715 1 78 LYS HG3 1 82 ASN HA . . 5.170 5.067 4.844 5.176 0.006 13 0 "[ . 1 . 2]" 1
1716 1 78 LYS HG3 1 84 GLN HA . . 4.870 2.898 2.275 3.203 . 0 0 "[ . 1 . 2]" 1
1717 1 78 LYS HG3 1 84 GLN QB . . 4.690 4.340 3.051 4.690 . 0 0 "[ . 1 . 2]" 1
1718 1 78 LYS HG3 1 84 GLN HG2 . . 4.860 3.994 3.138 4.863 0.003 17 0 "[ . 1 . 2]" 1
1719 1 78 LYS HG3 1 84 GLN QG . . 4.210 3.435 2.772 3.816 . 0 0 "[ . 1 . 2]" 1
1720 1 78 LYS HG3 1 84 GLN HG3 . . 4.860 3.957 3.030 4.800 . 0 0 "[ . 1 . 2]" 1
1721 1 79 ASP H 1 79 ASP HB2 . . 4.210 2.772 2.186 3.777 . 0 0 "[ . 1 . 2]" 1
1722 1 79 ASP H 1 79 ASP QB . . 3.680 2.484 2.165 2.847 . 0 0 "[ . 1 . 2]" 1
1723 1 79 ASP H 1 79 ASP HB3 . . 4.210 3.213 2.553 3.800 . 0 0 "[ . 1 . 2]" 1
1724 1 79 ASP H 1 81 ARG QB . . 5.340 5.018 4.474 5.235 . 0 0 "[ . 1 . 2]" 1
1725 1 79 ASP H 1 82 ASN HA . . 4.720 3.833 3.220 4.707 . 0 0 "[ . 1 . 2]" 1
1726 1 79 ASP H 1 83 LEU H . . 3.910 2.711 2.429 3.393 . 0 0 "[ . 1 . 2]" 1
1727 1 79 ASP H 1 83 LEU QB . . 5.260 2.954 2.638 4.671 . 0 0 "[ . 1 . 2]" 1
1728 1 79 ASP H 1 84 GLN HA . . 5.050 4.872 4.509 5.037 . 0 0 "[ . 1 . 2]" 1
1729 1 79 ASP HA 1 80 GLU HA . . 4.700 4.303 4.294 4.312 . 0 0 "[ . 1 . 2]" 1
1730 1 79 ASP HA 1 81 ARG H . . 4.780 4.327 4.105 4.487 . 0 0 "[ . 1 . 2]" 1
1731 1 79 ASP QB 1 80 GLU H . . 4.340 2.360 1.987 3.134 . 0 0 "[ . 1 . 2]" 1
1732 1 79 ASP QB 1 81 ARG H . . 4.070 2.677 2.424 3.416 . 0 0 "[ . 1 . 2]" 1
1733 1 79 ASP QB 1 83 LEU H . . 5.190 3.136 2.647 4.671 . 0 0 "[ . 1 . 2]" 1
1734 1 79 ASP HB2 1 81 ARG H . . 4.730 3.413 2.514 4.345 . 0 0 "[ . 1 . 2]" 1
1735 1 79 ASP HB3 1 81 ARG H . . 4.730 3.098 2.454 4.269 . 0 0 "[ . 1 . 2]" 1
1736 1 80 GLU H 1 80 GLU HG2 . . 4.900 3.844 2.034 4.617 . 0 0 "[ . 1 . 2]" 1
1737 1 80 GLU H 1 80 GLU HG3 . . 4.900 3.558 1.924 4.600 . 0 0 "[ . 1 . 2]" 1
1738 1 80 GLU HA 1 82 ASN H . . 4.280 3.465 3.321 3.566 . 0 0 "[ . 1 . 2]" 1
1739 1 80 GLU QB 1 81 ARG H . . 4.210 2.889 2.622 3.512 . 0 0 "[ . 1 . 2]" 1
1740 1 80 GLU QG 1 81 ARG H . . 4.360 3.724 1.924 4.360 . 0 0 "[ . 1 . 2]" 1
1741 1 81 ARG H 1 81 ARG QB . . 3.180 2.256 2.162 2.463 . 0 0 "[ . 1 . 2]" 1
1742 1 81 ARG H 1 81 ARG HG2 . . 4.130 3.592 2.872 4.120 . 0 0 "[ . 1 . 2]" 1
1743 1 81 ARG H 1 81 ARG QG . . 3.600 2.862 2.537 3.124 . 0 0 "[ . 1 . 2]" 1
1744 1 81 ARG H 1 81 ARG HG3 . . 4.130 3.222 2.574 4.126 . 0 0 "[ . 1 . 2]" 1
1745 1 81 ARG H 1 82 ASN H . . 3.020 2.840 2.630 3.021 0.001 14 0 "[ . 1 . 2]" 1
1746 1 81 ARG H 1 82 ASN HA . . 4.930 4.846 4.769 4.920 . 0 0 "[ . 1 . 2]" 1
1747 1 81 ARG H 1 83 LEU QD . . 4.740 3.651 3.134 4.256 . 0 0 "[ . 1 . 2]" 1
1748 1 81 ARG HA 1 81 ARG HD2 . . 5.020 4.191 2.554 4.748 . 0 0 "[ . 1 . 2]" 1
1749 1 81 ARG HA 1 81 ARG QD . . 4.420 3.502 1.982 4.101 . 0 0 "[ . 1 . 2]" 1
1750 1 81 ARG HA 1 81 ARG HD3 . . 5.020 3.856 2.027 4.712 . 0 0 "[ . 1 . 2]" 1
1751 1 81 ARG HA 1 81 ARG HG2 . . 3.800 2.459 2.197 2.816 . 0 0 "[ . 1 . 2]" 1
1752 1 81 ARG HA 1 81 ARG QG . . 3.260 2.363 2.154 2.666 . 0 0 "[ . 1 . 2]" 1
1753 1 81 ARG HA 1 81 ARG HG3 . . 3.800 3.219 2.617 3.691 . 0 0 "[ . 1 . 2]" 1
1754 1 81 ARG QB 1 81 ARG HD2 . . 3.650 2.650 2.163 3.340 . 0 0 "[ . 1 . 2]" 1
1755 1 81 ARG QB 1 81 ARG HD3 . . 3.650 2.540 2.140 3.384 . 0 0 "[ . 1 . 2]" 1
1756 1 81 ARG QB 1 82 ASN H . . 4.190 3.702 3.492 3.795 . 0 0 "[ . 1 . 2]" 1
1757 1 81 ARG QB 1 83 LEU H . . 3.760 3.232 2.955 3.412 . 0 0 "[ . 1 . 2]" 1
1758 1 81 ARG QB 1 83 LEU QB . . 3.980 3.454 2.443 3.841 . 0 0 "[ . 1 . 2]" 1
1759 1 81 ARG QB 1 83 LEU QD . . 3.590 2.266 1.934 2.650 . 0 0 "[ . 1 . 2]" 1
1760 1 81 ARG QB 1 83 LEU HG . . 3.740 2.313 1.917 3.404 . 0 0 "[ . 1 . 2]" 1
1761 1 81 ARG QD 1 83 LEU QD . . 3.830 3.117 2.481 3.831 0.001 13 0 "[ . 1 . 2]" 1
1762 1 81 ARG QG 1 83 LEU QD . . 4.850 3.515 3.057 3.957 . 0 0 "[ . 1 . 2]" 1
1763 1 82 ASN H 1 82 ASN HA . . 2.770 2.285 2.274 2.302 . 0 0 "[ . 1 . 2]" 1
1764 1 82 ASN H 1 83 LEU H . . 3.180 2.788 2.602 2.934 . 0 0 "[ . 1 . 2]" 1
1765 1 82 ASN H 1 83 LEU HG . . 5.120 4.764 4.210 5.093 . 0 0 "[ . 1 . 2]" 1
1766 1 82 ASN HA 1 83 LEU H . . 3.520 2.933 2.855 2.982 . 0 0 "[ . 1 . 2]" 1
1767 1 82 ASN HB2 1 83 LEU H . . 4.810 4.253 4.025 4.611 . 0 0 "[ . 1 . 2]" 1
1768 1 82 ASN HB3 1 83 LEU H . . 4.810 4.312 4.025 4.589 . 0 0 "[ . 1 . 2]" 1
1769 1 83 LEU H 1 83 LEU HB2 . . 3.710 2.350 2.162 3.634 . 0 0 "[ . 1 . 2]" 1
1770 1 83 LEU H 1 83 LEU QB . . 3.000 2.262 2.142 2.472 . 0 0 "[ . 1 . 2]" 1
1771 1 83 LEU H 1 83 LEU HB3 . . 3.710 3.478 2.431 3.599 . 0 0 "[ . 1 . 2]" 1
1772 1 83 LEU H 1 83 LEU MD1 . . 4.450 3.555 3.259 3.861 . 0 0 "[ . 1 . 2]" 1
1773 1 83 LEU H 1 83 LEU MD2 . . 4.450 3.870 3.526 4.096 . 0 0 "[ . 1 . 2]" 1
1774 1 83 LEU H 1 83 LEU HG . . 3.210 2.741 2.192 3.056 . 0 0 "[ . 1 . 2]" 1
1775 1 83 LEU HA 1 83 LEU MD1 . . 4.060 3.820 3.135 3.932 . 0 0 "[ . 1 . 2]" 1
1776 1 83 LEU HA 1 83 LEU QD . . 2.980 2.218 2.047 3.043 0.063 13 0 "[ . 1 . 2]" 1
1777 1 83 LEU HA 1 83 LEU MD2 . . 4.060 2.284 2.055 4.114 0.054 13 0 "[ . 1 . 2]" 1
1778 1 83 LEU HA 1 83 LEU HG . . 3.810 2.825 2.583 3.765 . 0 0 "[ . 1 . 2]" 1
1779 1 83 LEU HA 1 84 GLN H . . 2.680 2.146 2.140 2.175 . 0 0 "[ . 1 . 2]" 1
1780 1 83 LEU HA 1 84 GLN QB . . 4.340 4.066 4.023 4.167 . 0 0 "[ . 1 . 2]" 1
1781 1 83 LEU QB 1 83 LEU QD . . 2.640 1.890 1.820 1.927 . 0 0 "[ . 1 . 2]" 1
1782 1 83 LEU QB 1 84 GLN H . . 3.600 3.343 3.102 3.569 . 0 0 "[ . 1 . 2]" 1
1783 1 83 LEU QB 1 84 GLN HA . . 5.340 4.426 4.342 4.930 . 0 0 "[ . 1 . 2]" 1
1784 1 83 LEU QD 1 84 GLN H . . 3.880 3.285 2.824 3.607 . 0 0 "[ . 1 . 2]" 1
1785 1 83 LEU MD1 1 84 GLN H . . 5.270 5.078 2.842 5.274 0.004 5 0 "[ . 1 . 2]" 1
1786 1 83 LEU MD2 1 84 GLN H . . 5.270 3.432 2.842 4.997 . 0 0 "[ . 1 . 2]" 1
1787 1 83 LEU HG 1 84 GLN H . . 5.060 4.826 4.561 5.059 . 0 0 "[ . 1 . 2]" 1
1788 1 84 GLN H 1 84 GLN QB . . 3.220 2.283 2.179 2.339 . 0 0 "[ . 1 . 2]" 1
1789 1 84 GLN H 1 84 GLN HG2 . . 4.710 4.461 4.337 4.696 . 0 0 "[ . 1 . 2]" 1
1790 1 84 GLN H 1 84 GLN QG . . 4.050 3.909 3.147 4.077 0.027 17 0 "[ . 1 . 2]" 1
1791 1 84 GLN H 1 84 GLN HG3 . . 4.710 4.372 3.231 4.687 . 0 0 "[ . 1 . 2]" 1
1792 1 84 GLN HA 1 84 GLN HG2 . . 4.210 2.530 2.198 3.626 . 0 0 "[ . 1 . 2]" 1
1793 1 84 GLN HA 1 84 GLN QG . . 3.670 2.311 2.175 2.467 . 0 0 "[ . 1 . 2]" 1
1794 1 84 GLN HA 1 84 GLN HG3 . . 4.210 2.915 2.395 3.564 . 0 0 "[ . 1 . 2]" 1
1795 1 84 GLN HA 1 85 SER H . . 2.780 2.147 2.138 2.176 . 0 0 "[ . 1 . 2]" 1
1796 1 84 GLN QB 1 85 SER H . . 3.990 3.709 3.329 3.881 . 0 0 "[ . 1 . 2]" 1
1797 1 84 GLN QG 1 85 SER H . . 3.750 2.933 2.637 3.755 0.005 6 0 "[ . 1 . 2]" 1
1798 1 84 GLN HG2 1 85 SER H . . 4.470 3.089 2.680 4.403 . 0 0 "[ . 1 . 2]" 1
1799 1 84 GLN HG3 1 85 SER H . . 4.470 4.158 2.784 4.477 0.007 13 0 "[ . 1 . 2]" 1
1800 1 85 SER HA 1 86 GLN H . . 2.770 2.352 2.139 2.642 . 0 0 "[ . 1 . 2]" 1
1801 1 85 SER QB 1 86 GLN H . . 3.350 2.842 1.973 3.352 0.002 14 0 "[ . 1 . 2]" 1
1802 1 86 GLN H 1 86 GLN QB . . 3.260 2.899 2.591 3.188 . 0 0 "[ . 1 . 2]" 1
1803 1 86 GLN H 1 86 GLN HG2 . . 4.830 3.518 2.128 4.820 . 0 0 "[ . 1 . 2]" 1
1804 1 86 GLN H 1 86 GLN HG3 . . 4.830 4.220 3.474 4.831 0.001 6 0 "[ . 1 . 2]" 1
1805 1 86 GLN HA 1 86 GLN HG2 . . 4.020 3.192 2.626 3.736 . 0 0 "[ . 1 . 2]" 1
1806 1 86 GLN HA 1 86 GLN QG . . 3.500 2.820 2.264 3.339 . 0 0 "[ . 1 . 2]" 1
1807 1 86 GLN HA 1 86 GLN HG3 . . 4.020 3.171 2.382 3.890 . 0 0 "[ . 1 . 2]" 1
1808 1 86 GLN HA 1 87 SER H . . 2.710 2.287 2.184 2.449 . 0 0 "[ . 1 . 2]" 1
1809 1 86 GLN QB 1 87 SER H . . 3.610 3.025 2.377 3.560 . 0 0 "[ . 1 . 2]" 1
1810 1 86 GLN HB2 1 87 SER H . . 4.370 3.421 2.401 4.317 . 0 0 "[ . 1 . 2]" 1
1811 1 86 GLN HB3 1 87 SER H . . 4.370 3.817 3.622 4.018 . 0 0 "[ . 1 . 2]" 1
1812 1 86 GLN QG 1 87 SER H . . 4.010 2.927 2.258 3.749 . 0 0 "[ . 1 . 2]" 1
1813 1 86 GLN QG 1 88 SER H . . 5.070 4.571 4.024 4.915 . 0 0 "[ . 1 . 2]" 1
1814 1 86 GLN HG2 1 87 SER H . . 4.750 3.419 2.346 4.590 . 0 0 "[ . 1 . 2]" 1
1815 1 86 GLN HG3 1 87 SER H . . 4.750 3.496 2.941 3.992 . 0 0 "[ . 1 . 2]" 1
1816 1 87 SER H 1 87 SER HB2 . . 4.000 3.290 2.676 3.956 . 0 0 "[ . 1 . 2]" 1
1817 1 87 SER H 1 87 SER QB . . 3.460 2.812 2.551 3.266 . 0 0 "[ . 1 . 2]" 1
1818 1 87 SER H 1 87 SER HB3 . . 4.000 3.163 2.689 3.913 . 0 0 "[ . 1 . 2]" 1
1819 1 87 SER HA 1 88 SER H . . 2.910 2.168 2.138 2.223 . 0 0 "[ . 1 . 2]" 1
1820 1 87 SER HA 1 88 SER HA . . 4.730 4.384 4.368 4.408 . 0 0 "[ . 1 . 2]" 1
1821 1 87 SER HB2 1 88 SER H . . 4.520 4.125 3.182 4.516 . 0 0 "[ . 1 . 2]" 1
1822 1 87 SER HB3 1 88 SER H . . 4.520 4.005 3.089 4.471 . 0 0 "[ . 1 . 2]" 1
1823 1 88 SER H 1 88 SER HB2 . . 3.700 3.356 2.597 3.699 . 0 0 "[ . 1 . 2]" 1
1824 1 88 SER H 1 88 SER QB . . 3.240 2.795 2.548 2.969 . 0 0 "[ . 1 . 2]" 1
1825 1 88 SER H 1 88 SER HB3 . . 3.700 3.214 2.782 3.704 0.004 7 0 "[ . 1 . 2]" 1
1826 1 88 SER H 1 89 VAL H . . 5.020 4.548 4.528 4.558 . 0 0 "[ . 1 . 2]" 1
1827 1 88 SER HA 1 89 VAL H . . 2.850 2.286 2.209 2.427 . 0 0 "[ . 1 . 2]" 1
1828 1 88 SER HA 1 89 VAL HA . . 5.090 4.430 4.398 4.489 . 0 0 "[ . 1 . 2]" 1
1829 1 88 SER HA 1 89 VAL QG . . 4.220 3.599 3.410 3.749 . 0 0 "[ . 1 . 2]" 1
1830 1 88 SER QB 1 89 VAL H . . 3.360 2.700 2.348 2.926 . 0 0 "[ . 1 . 2]" 1
1831 1 88 SER HB2 1 89 VAL H . . 3.870 3.027 2.376 3.857 . 0 0 "[ . 1 . 2]" 1
1832 1 88 SER HB3 1 89 VAL H . . 3.870 3.540 2.652 3.871 0.001 8 0 "[ . 1 . 2]" 1
1833 1 89 VAL H 1 89 VAL HB . . 4.000 3.201 3.097 3.322 . 0 0 "[ . 1 . 2]" 1
1834 1 89 VAL H 1 89 VAL MG1 . . 4.260 2.002 1.878 2.142 . 0 0 "[ . 1 . 2]" 1
1835 1 89 VAL H 1 89 VAL QG . . 3.140 1.995 1.874 2.132 . 0 0 "[ . 1 . 2]" 1
1836 1 89 VAL H 1 89 VAL MG2 . . 4.260 3.885 3.837 3.945 . 0 0 "[ . 1 . 2]" 1
1837 1 89 VAL H 1 90 ASN H . . 4.510 4.385 4.269 4.474 . 0 0 "[ . 1 . 2]" 1
1838 1 89 VAL HA 1 89 VAL QG . . 3.010 2.291 2.169 2.383 . 0 0 "[ . 1 . 2]" 1
1839 1 89 VAL HA 1 90 ASN H . . 2.700 2.202 2.160 2.300 . 0 0 "[ . 1 . 2]" 1
1840 1 89 VAL HA 1 90 ASN QB . . 4.400 4.242 4.159 4.334 . 0 0 "[ . 1 . 2]" 1
1841 1 89 VAL HB 1 90 ASN H . . 4.160 4.054 3.843 4.154 . 0 0 "[ . 1 . 2]" 1
1842 1 89 VAL QG 1 90 ASN H . . 3.100 2.213 1.912 2.544 . 0 0 "[ . 1 . 2]" 1
1843 1 89 VAL QG 1 90 ASN HA . . 5.190 3.625 3.488 3.742 . 0 0 "[ . 1 . 2]" 1
1844 1 89 VAL QG 1 90 ASN QB . . 4.380 3.623 3.510 3.793 . 0 0 "[ . 1 . 2]" 1
1845 1 89 VAL QG 1 91 VAL H . . 5.320 3.774 3.555 3.902 . 0 0 "[ . 1 . 2]" 1
1846 1 89 VAL MG1 1 90 ASN H . . 4.320 3.896 3.677 4.030 . 0 0 "[ . 1 . 2]" 1
1847 1 89 VAL MG2 1 90 ASN H . . 4.320 2.226 1.918 2.572 . 0 0 "[ . 1 . 2]" 1
1848 1 90 ASN H 1 90 ASN HB2 . . 3.870 2.282 2.215 2.371 . 0 0 "[ . 1 . 2]" 1
1849 1 90 ASN H 1 90 ASN QB . . 3.160 2.256 2.193 2.341 . 0 0 "[ . 1 . 2]" 1
1850 1 90 ASN H 1 90 ASN HB3 . . 3.870 3.553 3.504 3.609 . 0 0 "[ . 1 . 2]" 1
1851 1 90 ASN H 1 90 ASN QD . . 4.320 3.838 3.130 4.304 . 0 0 "[ . 1 . 2]" 1
1852 1 90 ASN H 1 91 VAL H . . 4.700 4.374 4.268 4.442 . 0 0 "[ . 1 . 2]" 1
1853 1 90 ASN HA 1 91 VAL H . . 2.650 2.145 2.140 2.159 . 0 0 "[ . 1 . 2]" 1
1854 1 90 ASN HA 1 91 VAL HB . . 4.890 4.655 4.568 4.745 . 0 0 "[ . 1 . 2]" 1
1855 1 90 ASN HA 1 91 VAL MG2 . . 4.750 3.803 3.671 3.907 . 0 0 "[ . 1 . 2]" 1
1856 1 90 ASN QB 1 91 VAL H . . 3.630 3.479 3.315 3.607 . 0 0 "[ . 1 . 2]" 1
1857 1 90 ASN QB 1 92 ILE HB . . 5.340 5.310 5.219 5.342 0.002 14 0 "[ . 1 . 2]" 1
1858 1 90 ASN QB 1 92 ILE MD . . 3.500 3.107 2.221 3.344 . 0 0 "[ . 1 . 2]" 1
1859 1 90 ASN QB 1 92 ILE HG12 . . 4.820 4.538 4.289 4.816 . 0 0 "[ . 1 . 2]" 1
1860 1 90 ASN QB 1 92 ILE HG13 . . 4.230 3.378 3.154 4.222 . 0 0 "[ . 1 . 2]" 1
1861 1 90 ASN HB2 1 92 ILE MD . . 4.340 4.187 3.506 4.340 0.000 10 0 "[ . 1 . 2]" 1
1862 1 90 ASN HB3 1 92 ILE MD . . 4.340 3.208 2.244 3.492 . 0 0 "[ . 1 . 2]" 1
1863 1 90 ASN QD 1 92 ILE MD . . 4.880 4.439 3.369 4.830 . 0 0 "[ . 1 . 2]" 1
1864 1 91 VAL H 1 91 VAL HB . . 3.360 2.582 2.538 2.651 . 0 0 "[ . 1 . 2]" 1
1865 1 91 VAL H 1 91 VAL MG1 . . 4.150 3.823 3.802 3.858 . 0 0 "[ . 1 . 2]" 1
1866 1 91 VAL H 1 91 VAL MG2 . . 3.410 2.675 2.441 2.849 . 0 0 "[ . 1 . 2]" 1
1867 1 91 VAL H 1 92 ILE H . . 4.240 4.160 4.103 4.230 . 0 0 "[ . 1 . 2]" 1
1868 1 91 VAL H 1 92 ILE MD . . 5.400 5.141 3.430 5.399 . 0 0 "[ . 1 . 2]" 1
1869 1 91 VAL H 1 92 ILE HG13 . . 4.740 4.341 4.162 4.596 . 0 0 "[ . 1 . 2]" 1
1870 1 91 VAL HA 1 91 VAL MG1 . . 3.210 2.406 2.320 2.478 . 0 0 "[ . 1 . 2]" 1
1871 1 91 VAL HA 1 91 VAL MG2 . . 3.200 2.344 2.257 2.425 . 0 0 "[ . 1 . 2]" 1
1872 1 91 VAL HA 1 92 ILE H . . 2.740 2.170 2.150 2.180 . 0 0 "[ . 1 . 2]" 1
1873 1 91 VAL HB 1 92 ILE H . . 4.640 4.398 4.339 4.441 . 0 0 "[ . 1 . 2]" 1
1874 1 91 VAL MG1 1 92 ILE H . . 3.550 3.083 2.884 3.226 . 0 0 "[ . 1 . 2]" 1
1875 1 91 VAL MG1 1 92 ILE HG13 . . 5.130 4.953 4.822 5.096 . 0 0 "[ . 1 . 2]" 1
1876 1 91 VAL MG1 1 93 VAL H . . 4.620 4.487 4.030 4.618 . 0 0 "[ . 1 . 2]" 1
1877 1 91 VAL MG2 1 92 ILE H . . 4.350 4.182 4.131 4.235 . 0 0 "[ . 1 . 2]" 1
1878 1 92 ILE H 1 92 ILE HB . . 3.230 2.500 2.438 2.570 . 0 0 "[ . 1 . 2]" 1
1879 1 92 ILE H 1 92 ILE MD . . 3.440 3.277 2.072 3.444 0.004 14 0 "[ . 1 . 2]" 1
1880 1 92 ILE H 1 92 ILE HG12 . . 4.430 4.069 3.941 4.313 . 0 0 "[ . 1 . 2]" 1
1881 1 92 ILE H 1 92 ILE HG13 . . 3.930 2.750 2.511 3.527 . 0 0 "[ . 1 . 2]" 1
1882 1 92 ILE H 1 92 ILE MG . . 4.130 3.786 3.753 3.817 . 0 0 "[ . 1 . 2]" 1
1883 1 92 ILE H 1 93 VAL H . . 4.620 4.508 4.413 4.555 . 0 0 "[ . 1 . 2]" 1
1884 1 92 ILE HA 1 92 ILE MD . . 4.070 3.809 3.304 3.902 . 0 0 "[ . 1 . 2]" 1
1885 1 92 ILE HA 1 92 ILE HG12 . . 3.730 2.871 2.769 3.503 . 0 0 "[ . 1 . 2]" 1
1886 1 92 ILE HA 1 92 ILE HG13 . . 3.790 2.621 2.308 2.746 . 0 0 "[ . 1 . 2]" 1
1887 1 92 ILE HA 1 92 ILE MG . . 3.080 2.372 2.294 2.454 . 0 0 "[ . 1 . 2]" 1
1888 1 92 ILE HA 1 93 VAL H . . 2.770 2.190 2.141 2.261 . 0 0 "[ . 1 . 2]" 1
1889 1 92 ILE HB 1 92 ILE MD . . 3.240 2.216 2.098 2.300 . 0 0 "[ . 1 . 2]" 1
1890 1 92 ILE HB 1 93 VAL H . . 4.440 4.079 3.893 4.296 . 0 0 "[ . 1 . 2]" 1
1891 1 92 ILE MD 1 94 LYS QE . . 4.740 3.900 3.016 4.715 . 0 0 "[ . 1 . 2]" 1
1892 1 92 ILE HG12 1 92 ILE MG . . 2.960 2.166 2.037 2.244 . 0 0 "[ . 1 . 2]" 1
1893 1 92 ILE HG12 1 93 VAL H . . 4.820 4.407 4.114 4.804 . 0 0 "[ . 1 . 2]" 1
1894 1 92 ILE HG13 1 92 ILE MG . . 3.400 3.100 2.704 3.152 . 0 0 "[ . 1 . 2]" 1
1895 1 92 ILE HG13 1 93 VAL H . . 4.950 4.653 4.161 4.802 . 0 0 "[ . 1 . 2]" 1
1896 1 92 ILE MG 1 93 VAL H . . 3.240 2.255 2.005 2.612 . 0 0 "[ . 1 . 2]" 1
1897 1 92 ILE MG 1 93 VAL HB . . 4.870 4.380 4.179 4.563 . 0 0 "[ . 1 . 2]" 1
1898 1 92 ILE MG 1 94 LYS H . . 4.620 4.040 3.630 4.380 . 0 0 "[ . 1 . 2]" 1
1899 1 92 ILE MG 1 94 LYS QB . . 4.470 4.188 3.962 4.411 . 0 0 "[ . 1 . 2]" 1
1900 1 92 ILE MG 1 94 LYS QD . . 3.670 2.778 1.885 3.607 . 0 0 "[ . 1 . 2]" 1
1901 1 92 ILE MG 1 94 LYS QE . . 3.620 2.349 1.891 3.396 . 0 0 "[ . 1 . 2]" 1
1902 1 93 VAL H 1 93 VAL HB . . 3.370 2.609 2.504 2.731 . 0 0 "[ . 1 . 2]" 1
1903 1 93 VAL H 1 93 VAL MG1 . . 4.080 3.832 3.786 3.894 . 0 0 "[ . 1 . 2]" 1
1904 1 93 VAL H 1 93 VAL MG2 . . 3.460 2.790 2.552 2.978 . 0 0 "[ . 1 . 2]" 1
1905 1 93 VAL HA 1 93 VAL MG2 . . 3.110 2.350 2.184 2.458 . 0 0 "[ . 1 . 2]" 1
1906 1 93 VAL HB 1 94 LYS H . . 4.710 4.211 3.858 4.371 . 0 0 "[ . 1 . 2]" 1
1907 1 93 VAL MG1 1 94 LYS H . . 3.410 2.518 2.092 3.006 . 0 0 "[ . 1 . 2]" 1
1908 1 93 VAL MG1 1 94 LYS QB . . 5.050 4.246 4.008 4.510 . 0 0 "[ . 1 . 2]" 1
1909 1 93 VAL MG1 1 95 GLU H . . 5.010 4.884 4.512 5.011 0.001 13 0 "[ . 1 . 2]" 1
1910 1 93 VAL MG2 1 94 LYS H . . 4.930 4.000 3.873 4.154 . 0 0 "[ . 1 . 2]" 1
1911 1 94 LYS H 1 94 LYS QB . . 3.280 2.392 2.236 2.485 . 0 0 "[ . 1 . 2]" 1
1912 1 94 LYS H 1 94 LYS HG2 . . 4.710 4.316 2.912 4.692 . 0 0 "[ . 1 . 2]" 1
1913 1 94 LYS H 1 94 LYS QG . . 4.040 3.412 2.844 3.988 . 0 0 "[ . 1 . 2]" 1
1914 1 94 LYS H 1 94 LYS HG3 . . 4.710 3.691 3.021 4.420 . 0 0 "[ . 1 . 2]" 1
1915 1 94 LYS H 1 95 GLU H . . 4.600 4.494 4.445 4.557 . 0 0 "[ . 1 . 2]" 1
1916 1 94 LYS HA 1 94 LYS HG2 . . 3.920 3.099 2.619 3.572 . 0 0 "[ . 1 . 2]" 1
1917 1 94 LYS HA 1 94 LYS HG3 . . 3.920 2.569 2.187 3.687 . 0 0 "[ . 1 . 2]" 1
1918 1 94 LYS QB 1 94 LYS QD . . 3.420 2.192 2.061 2.490 . 0 0 "[ . 1 . 2]" 1
1919 1 94 LYS QB 1 94 LYS QE . . 3.740 3.388 2.105 3.747 0.007 6 0 "[ . 1 . 2]" 1
1920 1 94 LYS QB 1 95 GLU H . . 2.980 2.331 2.086 2.831 . 0 0 "[ . 1 . 2]" 1
1921 1 94 LYS QD 1 95 GLU H . . 4.980 4.514 2.948 4.964 . 0 0 "[ . 1 . 2]" 1
1922 1 94 LYS QG 1 95 GLU H . . 3.960 3.500 3.176 3.981 0.021 14 0 "[ . 1 . 2]" 1
1923 1 95 GLU H 1 95 GLU HB2 . . 3.730 2.573 2.212 3.712 . 0 0 "[ . 1 . 2]" 1
1924 1 95 GLU H 1 95 GLU QB . . 2.870 2.392 2.189 2.894 0.024 10 0 "[ . 1 . 2]" 1
1925 1 95 GLU H 1 95 GLU HB3 . . 3.730 3.438 2.619 3.670 . 0 0 "[ . 1 . 2]" 1
1926 1 95 GLU H 1 95 GLU QG . . 3.340 2.703 1.815 3.132 . 0 0 "[ . 1 . 2]" 1
1927 1 95 GLU HA 1 95 GLU QG . . 3.520 2.530 2.138 3.338 . 0 0 "[ . 1 . 2]" 1
1928 1 95 GLU HA 1 96 GLU H . . 2.630 2.375 2.252 2.531 . 0 0 "[ . 1 . 2]" 1
1929 1 95 GLU QB 1 96 GLU H . . 3.300 2.504 2.142 2.827 . 0 0 "[ . 1 . 2]" 1
1930 1 95 GLU HB2 1 96 GLU H . . 4.090 3.570 2.262 4.119 0.029 14 0 "[ . 1 . 2]" 1
1931 1 95 GLU HB3 1 96 GLU H . . 4.090 2.777 2.159 3.898 . 0 0 "[ . 1 . 2]" 1
1932 1 95 GLU QG 1 96 GLU H . . 4.020 3.708 3.245 4.030 0.010 14 0 "[ . 1 . 2]" 1
1933 1 96 GLU H 1 96 GLU HB2 . . 3.500 2.492 2.218 3.504 0.004 14 0 "[ . 1 . 2]" 1
1934 1 96 GLU H 1 96 GLU QB . . 2.840 2.237 2.181 2.310 . 0 0 "[ . 1 . 2]" 1
1935 1 96 GLU H 1 96 GLU HB3 . . 3.500 2.653 2.203 3.514 0.014 6 0 "[ . 1 . 2]" 1
1936 1 96 GLU H 1 96 GLU QG . . 4.020 3.854 2.831 4.027 0.007 7 0 "[ . 1 . 2]" 1
1937 1 96 GLU H 1 97 SER H . . 4.670 4.555 4.293 4.647 . 0 0 "[ . 1 . 2]" 1
1938 1 96 GLU HA 1 96 GLU QG . . 3.490 2.449 2.255 3.284 . 0 0 "[ . 1 . 2]" 1
1939 1 96 GLU HA 1 97 SER H . . 3.050 2.230 2.143 2.555 . 0 0 "[ . 1 . 2]" 1
1940 1 96 GLU HA 1 97 SER QB . . 5.340 4.155 3.909 4.485 . 0 0 "[ . 1 . 2]" 1
1941 1 96 GLU QB 1 97 SER H . . 4.300 3.527 2.144 3.968 . 0 0 "[ . 1 . 2]" 1
1942 1 96 GLU QG 1 97 SER H . . 4.270 2.674 2.008 3.330 . 0 0 "[ . 1 . 2]" 1
1943 1 96 GLU QG 1 97 SER QB . . 4.450 4.188 3.686 4.463 0.013 6 0 "[ . 1 . 2]" 1
1944 1 97 SER H 1 97 SER QB . . 3.480 2.446 2.216 2.888 . 0 0 "[ . 1 . 2]" 1
1945 1 97 SER HA 1 98 GLY H . . 3.410 2.252 2.142 2.478 . 0 0 "[ . 1 . 2]" 1
1946 1 97 SER QB 1 98 GLY H . . 4.210 3.480 2.253 4.024 . 0 0 "[ . 1 . 2]" 1
1947 1 98 GLY HA2 1 99 PRO QD . . 3.010 2.237 2.012 2.647 . 0 0 "[ . 1 . 2]" 1
1948 1 98 GLY HA3 1 99 PRO QD . . 3.010 2.404 1.957 2.702 . 0 0 "[ . 1 . 2]" 1
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