NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454442 |
2yup   |
10195 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yup
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 1350
_Distance_constraint_stats_list.Viol_count 191
_Distance_constraint_stats_list.Viol_total 27.306
_Distance_constraint_stats_list.Viol_max 0.079
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0071
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.008 0.008 17 0 "[ . 1 . 2]"
1 8 LYS 0.024 0.016 17 0 "[ . 1 . 2]"
1 9 PRO 0.016 0.016 17 0 "[ . 1 . 2]"
1 10 PRO 0.004 0.004 4 0 "[ . 1 . 2]"
1 11 THR 0.005 0.004 4 0 "[ . 1 . 2]"
1 12 TYR 0.030 0.009 9 0 "[ . 1 . 2]"
1 13 GLN 0.278 0.079 18 0 "[ . 1 . 2]"
1 14 VAL 0.237 0.079 18 0 "[ . 1 . 2]"
1 15 LEU 0.098 0.023 14 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TYR 0.001 0.001 18 0 "[ . 1 . 2]"
1 18 GLY 0.031 0.019 10 0 "[ . 1 . 2]"
1 19 GLU 0.003 0.003 10 0 "[ . 1 . 2]"
1 20 ALA 0.029 0.019 12 0 "[ . 1 . 2]"
1 21 VAL 0.015 0.005 12 0 "[ . 1 . 2]"
1 22 ALA 0.010 0.004 16 0 "[ . 1 . 2]"
1 23 GLN 0.005 0.002 11 0 "[ . 1 . 2]"
1 24 TYR 0.011 0.002 14 0 "[ . 1 . 2]"
1 25 THR 0.005 0.002 8 0 "[ . 1 . 2]"
1 26 PHE 0.004 0.003 8 0 "[ . 1 . 2]"
1 27 LYS 0.012 0.008 5 0 "[ . 1 . 2]"
1 28 GLY 0.015 0.008 5 0 "[ . 1 . 2]"
1 29 ASP 0.007 0.003 16 0 "[ . 1 . 2]"
1 30 LEU 0.031 0.011 7 0 "[ . 1 . 2]"
1 31 GLU 0.022 0.019 8 0 "[ . 1 . 2]"
1 32 VAL 0.075 0.054 8 0 "[ . 1 . 2]"
1 33 GLU 0.058 0.054 8 0 "[ . 1 . 2]"
1 34 LEU 0.081 0.067 16 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.006 0.004 16 0 "[ . 1 . 2]"
1 37 ARG 0.010 0.008 6 0 "[ . 1 . 2]"
1 38 LYS 0.085 0.047 18 0 "[ . 1 . 2]"
1 39 GLY 0.026 0.016 18 0 "[ . 1 . 2]"
1 40 GLU 0.007 0.004 16 0 "[ . 1 . 2]"
1 41 HIS 0.003 0.002 16 0 "[ . 1 . 2]"
1 42 ILE 0.002 0.002 16 0 "[ . 1 . 2]"
1 43 CYS 0.003 0.002 9 0 "[ . 1 . 2]"
1 44 LEU 0.002 0.002 10 0 "[ . 1 . 2]"
1 45 ILE 0.003 0.003 16 0 "[ . 1 . 2]"
1 46 ARG 0.019 0.016 8 0 "[ . 1 . 2]"
1 47 LYS 0.027 0.016 8 0 "[ . 1 . 2]"
1 48 VAL 0.005 0.003 8 0 "[ . 1 . 2]"
1 49 ASN 0.005 0.003 10 0 "[ . 1 . 2]"
1 50 GLU 0.067 0.051 12 0 "[ . 1 . 2]"
1 51 ASN 0.075 0.051 12 0 "[ . 1 . 2]"
1 52 TRP 0.014 0.003 10 0 "[ . 1 . 2]"
1 53 TYR 0.009 0.004 2 0 "[ . 1 . 2]"
1 54 GLU 0.003 0.002 16 0 "[ . 1 . 2]"
1 55 GLY 0.019 0.015 16 0 "[ . 1 . 2]"
1 56 ARG 0.057 0.042 16 0 "[ . 1 . 2]"
1 57 ILE 0.066 0.019 16 0 "[ . 1 . 2]"
1 58 THR 0.018 0.010 16 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 THR 0.030 0.016 17 0 "[ . 1 . 2]"
1 62 ARG 0.213 0.067 16 0 "[ . 1 . 2]"
1 63 GLN 0.139 0.074 16 0 "[ . 1 . 2]"
1 64 GLY 0.091 0.074 16 0 "[ . 1 . 2]"
1 65 ILE 0.004 0.002 16 0 "[ . 1 . 2]"
1 66 PHE 0.006 0.002 9 0 "[ . 1 . 2]"
1 67 PRO 0.006 0.002 10 0 "[ . 1 . 2]"
1 68 ALA 0.009 0.005 8 0 "[ . 1 . 2]"
1 69 SER 0.002 0.002 16 0 "[ . 1 . 2]"
1 70 TYR 0.013 0.004 16 0 "[ . 1 . 2]"
1 71 VAL 0.007 0.003 12 0 "[ . 1 . 2]"
1 72 GLN 0.010 0.005 12 0 "[ . 1 . 2]"
1 73 VAL 0.021 0.019 12 0 "[ . 1 . 2]"
1 74 SER 0.007 0.004 12 0 "[ . 1 . 2]"
1 75 ARG 0.023 0.019 10 0 "[ . 1 . 2]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 PRO 0.010 0.009 10 0 "[ . 1 . 2]"
1 78 ARG 0.044 0.030 7 0 "[ . 1 . 2]"
1 79 LEU 0.002 0.001 10 0 "[ . 1 . 2]"
1 80 ARG 0.057 0.030 7 0 "[ . 1 . 2]"
1 81 LEU 0.096 0.061 9 0 "[ . 1 . 2]"
1 82 CYS 0.066 0.061 9 0 "[ . 1 . 2]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY QA 1 8 LYS H . . 3.350 2.251 2.111 2.668 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 LYS QB . . 4.620 4.100 3.655 4.577 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 8 LYS QG . . 4.940 4.000 3.000 4.948 0.008 17 0 "[ . 1 . 2]" 1
4 1 8 LYS H 1 8 LYS QB . . 3.460 2.723 2.169 3.370 . 0 0 "[ . 1 . 2]" 1
5 1 8 LYS H 1 8 LYS QG . . 4.160 2.756 1.956 4.159 . 0 0 "[ . 1 . 2]" 1
6 1 8 LYS HA 1 8 LYS QD . . 4.500 3.877 2.439 4.423 . 0 0 "[ . 1 . 2]" 1
7 1 8 LYS HA 1 8 LYS QG . . 4.010 2.950 2.150 3.466 . 0 0 "[ . 1 . 2]" 1
8 1 8 LYS HA 1 9 PRO HD2 . . 3.120 2.297 2.070 2.471 . 0 0 "[ . 1 . 2]" 1
9 1 8 LYS HA 1 9 PRO QD . . 2.690 2.035 1.919 2.132 . 0 0 "[ . 1 . 2]" 1
10 1 8 LYS HA 1 9 PRO HD3 . . 3.120 2.275 2.257 2.330 . 0 0 "[ . 1 . 2]" 1
11 1 8 LYS QB 1 9 PRO QD . . 3.370 2.262 1.963 3.386 0.016 17 0 "[ . 1 . 2]" 1
12 1 8 LYS HB2 1 9 PRO HD2 . . 4.950 2.875 2.084 4.091 . 0 0 "[ . 1 . 2]" 1
13 1 8 LYS HB2 1 9 PRO HD3 . . 4.950 4.121 3.514 4.884 . 0 0 "[ . 1 . 2]" 1
14 1 8 LYS HB3 1 9 PRO HD2 . . 4.950 3.026 2.000 3.874 . 0 0 "[ . 1 . 2]" 1
15 1 8 LYS HB3 1 9 PRO HD3 . . 4.950 4.145 3.369 4.807 . 0 0 "[ . 1 . 2]" 1
16 1 8 LYS QG 1 9 PRO QD . . 4.410 3.395 1.948 4.125 . 0 0 "[ . 1 . 2]" 1
17 1 9 PRO HA 1 10 PRO QG . . 4.630 3.963 3.776 4.115 . 0 0 "[ . 1 . 2]" 1
18 1 9 PRO QB 1 10 PRO QD . . 3.790 2.410 1.938 3.304 . 0 0 "[ . 1 . 2]" 1
19 1 10 PRO HA 1 11 THR H . . 3.560 2.777 2.155 3.564 0.004 4 0 "[ . 1 . 2]" 1
20 1 11 THR H 1 11 THR MG . . 4.370 3.112 1.888 3.996 . 0 0 "[ . 1 . 2]" 1
21 1 11 THR H 1 12 TYR H . . 4.470 3.566 1.980 4.470 0.000 5 0 "[ . 1 . 2]" 1
22 1 11 THR H 1 13 GLN H . . 5.500 5.209 4.500 5.500 0.000 20 0 "[ . 1 . 2]" 1
23 1 11 THR HB 1 12 TYR H . . 4.380 3.424 2.186 4.329 . 0 0 "[ . 1 . 2]" 1
24 1 11 THR MG 1 12 TYR H . . 4.260 3.462 1.880 4.252 . 0 0 "[ . 1 . 2]" 1
25 1 12 TYR H 1 12 TYR QD . . 4.370 3.501 2.009 4.378 0.008 6 0 "[ . 1 . 2]" 1
26 1 12 TYR HA 1 12 TYR QD . . 4.300 3.204 2.310 3.740 . 0 0 "[ . 1 . 2]" 1
27 1 12 TYR QB 1 15 LEU QD . . 3.830 3.510 2.442 3.834 0.004 20 0 "[ . 1 . 2]" 1
28 1 12 TYR QD 1 14 VAL QG . . 4.310 3.686 2.417 4.319 0.009 9 0 "[ . 1 . 2]" 1
29 1 12 TYR QD 1 15 LEU H . . 4.520 3.714 2.966 4.476 . 0 0 "[ . 1 . 2]" 1
30 1 12 TYR QD 1 15 LEU QD . . 3.930 2.805 1.842 3.311 . 0 0 "[ . 1 . 2]" 1
31 1 12 TYR QE 1 14 VAL QG . . 4.130 3.275 2.093 4.127 . 0 0 "[ . 1 . 2]" 1
32 1 12 TYR QE 1 15 LEU QD . . 4.420 3.823 2.547 4.424 0.004 9 0 "[ . 1 . 2]" 1
33 1 13 GLN HA 1 14 VAL QG . . 4.390 3.846 3.070 4.469 0.079 18 0 "[ . 1 . 2]" 1
34 1 13 GLN QB 1 14 VAL H . . 4.030 3.352 2.614 4.031 0.001 20 0 "[ . 1 . 2]" 1
35 1 13 GLN QB 1 15 LEU QD . . 3.800 3.431 2.235 3.806 0.006 20 0 "[ . 1 . 2]" 1
36 1 13 GLN HB2 1 14 VAL H . . 4.780 3.977 2.654 4.651 . 0 0 "[ . 1 . 2]" 1
37 1 13 GLN HB3 1 14 VAL H . . 4.780 3.821 2.842 4.481 . 0 0 "[ . 1 . 2]" 1
38 1 13 GLN QE 1 15 LEU QD . . 3.920 3.289 2.009 3.934 0.014 18 0 "[ . 1 . 2]" 1
39 1 13 GLN QG 1 14 VAL H . . 4.810 4.058 3.215 4.573 . 0 0 "[ . 1 . 2]" 1
40 1 13 GLN QG 1 15 LEU H . . 5.340 4.573 3.194 5.363 0.023 14 0 "[ . 1 . 2]" 1
41 1 13 GLN QG 1 15 LEU QD . . 3.620 3.089 1.934 3.630 0.010 14 0 "[ . 1 . 2]" 1
42 1 13 GLN HG2 1 14 VAL H . . 5.500 4.777 3.611 5.549 0.049 18 0 "[ . 1 . 2]" 1
43 1 13 GLN HG3 1 14 VAL H . . 5.500 4.517 3.605 5.536 0.036 14 0 "[ . 1 . 2]" 1
44 1 14 VAL H 1 14 VAL HB . . 3.910 3.094 2.462 3.919 0.009 16 0 "[ . 1 . 2]" 1
45 1 14 VAL H 1 14 VAL MG1 . . 4.160 2.997 2.178 3.885 . 0 0 "[ . 1 . 2]" 1
46 1 14 VAL H 1 14 VAL QG . . 3.310 2.144 1.813 3.005 . 0 0 "[ . 1 . 2]" 1
47 1 14 VAL H 1 14 VAL MG2 . . 4.160 2.505 1.856 3.896 . 0 0 "[ . 1 . 2]" 1
48 1 14 VAL HA 1 15 LEU QD . . 4.590 3.771 2.888 4.587 . 0 0 "[ . 1 . 2]" 1
49 1 15 LEU H 1 15 LEU MD1 . . 4.890 3.265 1.828 4.390 . 0 0 "[ . 1 . 2]" 1
50 1 15 LEU H 1 15 LEU QD . . 4.190 2.104 1.676 2.961 . 0 0 "[ . 1 . 2]" 1
51 1 15 LEU H 1 15 LEU MD2 . . 4.890 2.480 1.755 4.296 . 0 0 "[ . 1 . 2]" 1
52 1 15 LEU H 1 15 LEU HG . . 4.340 3.170 1.897 4.337 . 0 0 "[ . 1 . 2]" 1
53 1 15 LEU HA 1 15 LEU MD1 . . 4.020 3.373 1.995 4.036 0.016 10 0 "[ . 1 . 2]" 1
54 1 15 LEU HA 1 15 LEU QD . . 3.410 2.952 1.935 3.411 0.001 8 0 "[ . 1 . 2]" 1
55 1 15 LEU HA 1 15 LEU MD2 . . 4.020 3.388 2.455 4.014 . 0 0 "[ . 1 . 2]" 1
56 1 16 GLU H 1 17 TYR H . . 4.490 2.769 2.126 4.055 . 0 0 "[ . 1 . 2]" 1
57 1 16 GLU HA 1 16 GLU QG . . 3.670 2.803 2.257 3.456 . 0 0 "[ . 1 . 2]" 1
58 1 16 GLU QB 1 17 TYR H . . 4.290 3.064 2.115 4.044 . 0 0 "[ . 1 . 2]" 1
59 1 17 TYR H 1 17 TYR QD . . 4.310 2.594 1.905 3.218 . 0 0 "[ . 1 . 2]" 1
60 1 17 TYR H 1 17 TYR QE . . 5.060 4.561 3.852 5.061 0.001 18 0 "[ . 1 . 2]" 1
61 1 17 TYR HA 1 17 TYR QD . . 3.620 2.832 2.018 3.194 . 0 0 "[ . 1 . 2]" 1
62 1 17 TYR QB 1 18 GLY H . . 3.760 2.669 2.031 3.282 . 0 0 "[ . 1 . 2]" 1
63 1 17 TYR QB 1 44 LEU H . . 4.600 3.715 3.144 4.165 . 0 0 "[ . 1 . 2]" 1
64 1 17 TYR HB2 1 18 GLY H . . 4.400 3.840 3.183 4.341 . 0 0 "[ . 1 . 2]" 1
65 1 17 TYR HB3 1 18 GLY H . . 4.400 2.730 2.055 3.397 . 0 0 "[ . 1 . 2]" 1
66 1 17 TYR QD 1 18 GLY H . . 4.470 3.920 3.226 4.397 . 0 0 "[ . 1 . 2]" 1
67 1 17 TYR QD 1 45 ILE HA . . 3.650 2.281 2.013 3.230 . 0 0 "[ . 1 . 2]" 1
68 1 17 TYR QD 1 45 ILE MD . . 5.040 4.703 2.869 5.038 . 0 0 "[ . 1 . 2]" 1
69 1 17 TYR QD 1 45 ILE MG . . 4.140 3.584 3.037 4.044 . 0 0 "[ . 1 . 2]" 1
70 1 17 TYR QE 1 45 ILE HA . . 4.140 3.082 2.043 4.060 . 0 0 "[ . 1 . 2]" 1
71 1 17 TYR QE 1 45 ILE MD . . 4.800 4.300 2.041 4.792 . 0 0 "[ . 1 . 2]" 1
72 1 17 TYR QE 1 45 ILE HG12 . . 4.450 3.144 2.346 4.264 . 0 0 "[ . 1 . 2]" 1
73 1 17 TYR QE 1 45 ILE HG13 . . 4.940 4.398 3.472 4.882 . 0 0 "[ . 1 . 2]" 1
74 1 17 TYR QE 1 45 ILE MG . . 3.580 2.647 2.088 3.513 . 0 0 "[ . 1 . 2]" 1
75 1 18 GLY H 1 44 LEU H . . 4.200 3.770 3.272 4.172 . 0 0 "[ . 1 . 2]" 1
76 1 18 GLY H 1 44 LEU HB2 . . 4.280 2.518 1.942 3.005 . 0 0 "[ . 1 . 2]" 1
77 1 18 GLY H 1 44 LEU HB3 . . 4.510 3.872 3.295 4.360 . 0 0 "[ . 1 . 2]" 1
78 1 18 GLY H 1 77 PRO HB2 . . 4.630 4.306 3.616 4.630 0.000 4 0 "[ . 1 . 2]" 1
79 1 18 GLY H 1 77 PRO QB . . 3.930 2.762 2.084 3.104 . 0 0 "[ . 1 . 2]" 1
80 1 18 GLY H 1 77 PRO HB3 . . 4.630 2.796 2.097 3.168 . 0 0 "[ . 1 . 2]" 1
81 1 18 GLY H 1 77 PRO QG . . 4.870 4.514 3.982 4.879 0.009 10 0 "[ . 1 . 2]" 1
82 1 18 GLY HA2 1 19 GLU H . . 3.540 2.422 2.220 2.739 . 0 0 "[ . 1 . 2]" 1
83 1 18 GLY HA2 1 44 LEU H . . 5.040 4.946 4.773 5.040 . 0 0 "[ . 1 . 2]" 1
84 1 18 GLY HA2 1 44 LEU HB2 . . 4.470 3.764 3.531 3.974 . 0 0 "[ . 1 . 2]" 1
85 1 18 GLY HA2 1 44 LEU HB3 . . 5.500 5.280 4.990 5.502 0.002 10 0 "[ . 1 . 2]" 1
86 1 18 GLY HA2 1 44 LEU MD1 . . 4.530 3.521 3.109 3.839 . 0 0 "[ . 1 . 2]" 1
87 1 18 GLY HA2 1 75 ARG H . . 5.070 4.850 4.406 5.038 . 0 0 "[ . 1 . 2]" 1
88 1 18 GLY HA2 1 75 ARG QB . . 4.110 3.198 1.925 3.605 . 0 0 "[ . 1 . 2]" 1
89 1 18 GLY HA2 1 75 ARG QD . . 4.600 4.172 3.107 4.595 . 0 0 "[ . 1 . 2]" 1
90 1 18 GLY HA2 1 75 ARG QG . . 4.010 3.112 2.402 4.029 0.019 10 0 "[ . 1 . 2]" 1
91 1 18 GLY HA2 1 77 PRO HA . . 4.500 3.333 2.876 3.998 . 0 0 "[ . 1 . 2]" 1
92 1 18 GLY HA3 1 44 LEU HB2 . . 4.320 2.193 2.000 2.496 . 0 0 "[ . 1 . 2]" 1
93 1 18 GLY HA3 1 44 LEU HB3 . . 4.670 3.571 3.265 3.806 . 0 0 "[ . 1 . 2]" 1
94 1 18 GLY HA3 1 44 LEU MD1 . . 4.290 2.246 1.969 2.533 . 0 0 "[ . 1 . 2]" 1
95 1 18 GLY HA3 1 75 ARG QB . . 5.090 4.285 2.928 4.844 . 0 0 "[ . 1 . 2]" 1
96 1 18 GLY HA3 1 75 ARG QG . . 5.040 4.396 3.651 5.040 0.000 10 0 "[ . 1 . 2]" 1
97 1 18 GLY HA3 1 77 PRO HA . . 4.420 3.237 2.640 3.736 . 0 0 "[ . 1 . 2]" 1
98 1 18 GLY HA3 1 77 PRO QB . . 4.370 3.139 2.760 3.952 . 0 0 "[ . 1 . 2]" 1
99 1 18 GLY HA3 1 77 PRO QG . . 5.350 4.141 3.715 4.871 . 0 0 "[ . 1 . 2]" 1
100 1 19 GLU H 1 19 GLU HB2 . . 3.760 3.013 2.756 3.291 . 0 0 "[ . 1 . 2]" 1
101 1 19 GLU H 1 19 GLU HB3 . . 4.090 2.721 2.506 2.885 . 0 0 "[ . 1 . 2]" 1
102 1 19 GLU H 1 19 GLU QG . . 4.370 4.109 4.038 4.275 . 0 0 "[ . 1 . 2]" 1
103 1 19 GLU H 1 20 ALA H . . 4.700 4.377 4.140 4.513 . 0 0 "[ . 1 . 2]" 1
104 1 19 GLU H 1 44 LEU MD1 . . 3.850 2.767 2.226 3.278 . 0 0 "[ . 1 . 2]" 1
105 1 19 GLU H 1 44 LEU HG . . 4.480 4.239 3.937 4.459 . 0 0 "[ . 1 . 2]" 1
106 1 19 GLU H 1 74 SER H . . 4.510 4.294 3.789 4.449 . 0 0 "[ . 1 . 2]" 1
107 1 19 GLU H 1 75 ARG H . . 3.470 2.836 2.346 3.062 . 0 0 "[ . 1 . 2]" 1
108 1 19 GLU H 1 75 ARG HA . . 4.900 4.368 3.996 4.683 . 0 0 "[ . 1 . 2]" 1
109 1 19 GLU H 1 75 ARG HB2 . . 4.250 3.777 1.898 4.245 . 0 0 "[ . 1 . 2]" 1
110 1 19 GLU H 1 75 ARG QB . . 3.400 2.275 1.881 2.553 . 0 0 "[ . 1 . 2]" 1
111 1 19 GLU H 1 75 ARG HB3 . . 4.250 2.396 1.943 3.074 . 0 0 "[ . 1 . 2]" 1
112 1 19 GLU H 1 75 ARG QD . . 4.830 4.408 3.721 4.830 . 0 0 "[ . 1 . 2]" 1
113 1 19 GLU H 1 75 ARG QG . . 4.180 3.578 2.935 4.127 . 0 0 "[ . 1 . 2]" 1
114 1 19 GLU H 1 76 GLU HA . . 5.410 4.493 4.151 4.965 . 0 0 "[ . 1 . 2]" 1
115 1 19 GLU HA 1 19 GLU QG . . 3.400 2.578 2.274 3.092 . 0 0 "[ . 1 . 2]" 1
116 1 19 GLU HA 1 20 ALA H . . 2.890 2.179 2.145 2.243 . 0 0 "[ . 1 . 2]" 1
117 1 19 GLU HA 1 20 ALA MB . . 4.200 3.913 3.815 3.960 . 0 0 "[ . 1 . 2]" 1
118 1 19 GLU HA 1 43 CYS HA . . 3.970 3.720 3.150 3.950 . 0 0 "[ . 1 . 2]" 1
119 1 19 GLU HA 1 44 LEU H . . 3.910 3.642 3.314 3.909 . 0 0 "[ . 1 . 2]" 1
120 1 19 GLU HA 1 44 LEU MD1 . . 4.630 3.741 3.224 4.157 . 0 0 "[ . 1 . 2]" 1
121 1 19 GLU HA 1 44 LEU MD2 . . 5.220 5.013 4.728 5.198 . 0 0 "[ . 1 . 2]" 1
122 1 19 GLU HA 1 44 LEU HG . . 4.040 3.675 3.291 3.879 . 0 0 "[ . 1 . 2]" 1
123 1 19 GLU HB2 1 20 ALA H . . 4.330 4.201 4.040 4.310 . 0 0 "[ . 1 . 2]" 1
124 1 19 GLU HB2 1 74 SER QB . . 5.250 4.294 3.777 5.232 . 0 0 "[ . 1 . 2]" 1
125 1 19 GLU HB2 1 75 ARG H . . 5.000 4.472 3.907 4.979 . 0 0 "[ . 1 . 2]" 1
126 1 19 GLU HB3 1 20 ALA H . . 4.220 4.034 3.719 4.213 . 0 0 "[ . 1 . 2]" 1
127 1 19 GLU HB3 1 74 SER H . . 4.350 3.979 3.381 4.349 . 0 0 "[ . 1 . 2]" 1
128 1 19 GLU HB3 1 74 SER QB . . 4.090 2.708 2.180 3.755 . 0 0 "[ . 1 . 2]" 1
129 1 19 GLU HB3 1 75 ARG H . . 4.180 2.995 2.522 3.428 . 0 0 "[ . 1 . 2]" 1
130 1 19 GLU QG 1 20 ALA H . . 3.570 2.673 2.262 3.104 . 0 0 "[ . 1 . 2]" 1
131 1 19 GLU QG 1 21 VAL MG2 . . 4.240 3.368 3.160 3.626 . 0 0 "[ . 1 . 2]" 1
132 1 19 GLU QG 1 74 SER QB . . 4.200 3.058 2.567 3.850 . 0 0 "[ . 1 . 2]" 1
133 1 19 GLU QG 1 75 ARG H . . 4.720 4.378 4.149 4.723 0.003 10 0 "[ . 1 . 2]" 1
134 1 20 ALA H 1 20 ALA MB . . 3.340 2.637 2.510 2.752 . 0 0 "[ . 1 . 2]" 1
135 1 20 ALA H 1 21 VAL H . . 4.880 4.376 4.202 4.462 . 0 0 "[ . 1 . 2]" 1
136 1 20 ALA H 1 21 VAL MG2 . . 5.220 4.076 3.800 4.341 . 0 0 "[ . 1 . 2]" 1
137 1 20 ALA H 1 44 LEU H . . 4.570 4.416 3.829 4.568 . 0 0 "[ . 1 . 2]" 1
138 1 20 ALA H 1 44 LEU MD1 . . 4.610 3.954 3.608 4.310 . 0 0 "[ . 1 . 2]" 1
139 1 20 ALA H 1 44 LEU MD2 . . 4.720 4.496 4.166 4.655 . 0 0 "[ . 1 . 2]" 1
140 1 20 ALA H 1 44 LEU HG . . 4.180 3.705 3.333 3.939 . 0 0 "[ . 1 . 2]" 1
141 1 20 ALA HA 1 21 VAL H . . 2.990 2.318 2.169 2.497 . 0 0 "[ . 1 . 2]" 1
142 1 20 ALA HA 1 21 VAL HB . . 4.560 4.471 4.326 4.552 . 0 0 "[ . 1 . 2]" 1
143 1 20 ALA HA 1 21 VAL MG2 . . 4.250 3.606 3.427 3.826 . 0 0 "[ . 1 . 2]" 1
144 1 20 ALA HA 1 44 LEU MD1 . . 4.590 3.865 3.415 4.409 . 0 0 "[ . 1 . 2]" 1
145 1 20 ALA HA 1 71 VAL MG2 . . 5.290 4.634 3.998 5.146 . 0 0 "[ . 1 . 2]" 1
146 1 20 ALA HA 1 73 VAL HA . . 3.360 2.784 2.019 3.079 . 0 0 "[ . 1 . 2]" 1
147 1 20 ALA HA 1 73 VAL MG1 . . 4.850 4.572 4.073 4.869 0.019 12 0 "[ . 1 . 2]" 1
148 1 20 ALA HA 1 73 VAL QG . . 4.060 3.883 3.459 4.050 . 0 0 "[ . 1 . 2]" 1
149 1 20 ALA HA 1 73 VAL MG2 . . 4.850 4.269 3.541 4.575 . 0 0 "[ . 1 . 2]" 1
150 1 20 ALA HA 1 74 SER H . . 3.390 2.787 2.467 2.979 . 0 0 "[ . 1 . 2]" 1
151 1 20 ALA HA 1 75 ARG H . . 4.670 4.295 4.002 4.502 . 0 0 "[ . 1 . 2]" 1
152 1 20 ALA MB 1 21 VAL H . . 3.130 2.604 2.202 3.042 . 0 0 "[ . 1 . 2]" 1
153 1 20 ALA MB 1 21 VAL HA . . 4.370 3.998 3.850 4.147 . 0 0 "[ . 1 . 2]" 1
154 1 20 ALA MB 1 42 ILE MD . . 3.760 3.596 3.186 3.762 0.002 16 0 "[ . 1 . 2]" 1
155 1 20 ALA MB 1 44 LEU H . . 5.500 4.284 3.770 4.593 . 0 0 "[ . 1 . 2]" 1
156 1 20 ALA MB 1 44 LEU MD1 . . 3.150 2.275 1.963 2.700 . 0 0 "[ . 1 . 2]" 1
157 1 20 ALA MB 1 44 LEU MD2 . . 2.820 2.283 1.862 2.490 . 0 0 "[ . 1 . 2]" 1
158 1 20 ALA MB 1 44 LEU HG . . 4.040 2.647 2.225 3.056 . 0 0 "[ . 1 . 2]" 1
159 1 20 ALA MB 1 66 PHE QE . . 4.230 3.621 3.213 3.855 . 0 0 "[ . 1 . 2]" 1
160 1 20 ALA MB 1 66 PHE HZ . . 4.500 4.002 3.586 4.488 . 0 0 "[ . 1 . 2]" 1
161 1 20 ALA MB 1 71 VAL HB . . 3.110 2.889 2.642 3.036 . 0 0 "[ . 1 . 2]" 1
162 1 20 ALA MB 1 72 GLN H . . 3.730 3.559 3.179 3.691 . 0 0 "[ . 1 . 2]" 1
163 1 20 ALA MB 1 73 VAL HA . . 3.180 2.759 2.265 3.073 . 0 0 "[ . 1 . 2]" 1
164 1 20 ALA MB 1 74 SER H . . 3.770 3.679 3.476 3.774 0.004 12 0 "[ . 1 . 2]" 1
165 1 20 ALA MB 1 75 ARG H . . 5.120 4.631 4.417 4.884 . 0 0 "[ . 1 . 2]" 1
166 1 21 VAL H 1 21 VAL HB . . 3.360 2.663 2.470 2.803 . 0 0 "[ . 1 . 2]" 1
167 1 21 VAL H 1 21 VAL MG1 . . 3.890 3.833 3.754 3.883 . 0 0 "[ . 1 . 2]" 1
168 1 21 VAL H 1 21 VAL MG2 . . 3.610 2.993 2.797 3.203 . 0 0 "[ . 1 . 2]" 1
169 1 21 VAL H 1 22 ALA H . . 4.730 4.305 4.184 4.518 . 0 0 "[ . 1 . 2]" 1
170 1 21 VAL H 1 71 VAL HB . . 4.390 3.602 3.187 4.323 . 0 0 "[ . 1 . 2]" 1
171 1 21 VAL H 1 71 VAL MG2 . . 4.510 4.220 3.742 4.513 0.003 12 0 "[ . 1 . 2]" 1
172 1 21 VAL H 1 72 GLN H . . 3.630 2.705 2.483 3.187 . 0 0 "[ . 1 . 2]" 1
173 1 21 VAL H 1 72 GLN HB2 . . 5.000 4.503 4.185 4.945 . 0 0 "[ . 1 . 2]" 1
174 1 21 VAL H 1 72 GLN HB3 . . 4.040 2.943 2.547 3.542 . 0 0 "[ . 1 . 2]" 1
175 1 21 VAL H 1 73 VAL HA . . 4.260 4.071 3.553 4.256 . 0 0 "[ . 1 . 2]" 1
176 1 21 VAL H 1 73 VAL QG . . 5.440 4.806 4.592 4.945 . 0 0 "[ . 1 . 2]" 1
177 1 21 VAL H 1 74 SER H . . 4.790 4.565 4.165 4.751 . 0 0 "[ . 1 . 2]" 1
178 1 21 VAL HA 1 21 VAL MG1 . . 3.190 2.417 2.343 2.491 . 0 0 "[ . 1 . 2]" 1
179 1 21 VAL HA 1 21 VAL MG2 . . 3.260 2.286 2.172 2.418 . 0 0 "[ . 1 . 2]" 1
180 1 21 VAL HA 1 22 ALA H . . 2.870 2.159 2.140 2.241 . 0 0 "[ . 1 . 2]" 1
181 1 21 VAL HA 1 22 ALA MB . . 4.430 3.995 3.928 4.013 . 0 0 "[ . 1 . 2]" 1
182 1 21 VAL HA 1 41 HIS QB . . 5.320 5.064 4.787 5.271 . 0 0 "[ . 1 . 2]" 1
183 1 21 VAL HA 1 42 ILE H . . 4.410 3.577 3.196 3.893 . 0 0 "[ . 1 . 2]" 1
184 1 21 VAL HB 1 22 ALA H . . 4.430 4.218 4.013 4.309 . 0 0 "[ . 1 . 2]" 1
185 1 21 VAL HB 1 23 GLN HE21 . . 4.680 3.125 2.497 3.700 . 0 0 "[ . 1 . 2]" 1
186 1 21 VAL HB 1 23 GLN QE . . 4.090 3.011 2.360 3.457 . 0 0 "[ . 1 . 2]" 1
187 1 21 VAL HB 1 23 GLN HE22 . . 4.680 4.010 2.907 4.641 . 0 0 "[ . 1 . 2]" 1
188 1 21 VAL HB 1 72 GLN H . . 4.580 3.844 3.492 4.171 . 0 0 "[ . 1 . 2]" 1
189 1 21 VAL HB 1 72 GLN HB3 . . 4.080 2.571 2.193 3.068 . 0 0 "[ . 1 . 2]" 1
190 1 21 VAL HB 1 72 GLN QG . . 4.320 3.812 3.096 4.305 . 0 0 "[ . 1 . 2]" 1
191 1 21 VAL MG1 1 22 ALA H . . 3.280 2.432 1.936 2.694 . 0 0 "[ . 1 . 2]" 1
192 1 21 VAL MG1 1 22 ALA HA . . 4.580 4.024 3.841 4.222 . 0 0 "[ . 1 . 2]" 1
193 1 21 VAL MG1 1 22 ALA MB . . 3.960 3.508 3.260 3.642 . 0 0 "[ . 1 . 2]" 1
194 1 21 VAL MG1 1 23 GLN HA . . 4.820 3.831 3.631 4.051 . 0 0 "[ . 1 . 2]" 1
195 1 21 VAL MG1 1 23 GLN HE21 . . 4.270 2.530 1.913 3.314 . 0 0 "[ . 1 . 2]" 1
196 1 21 VAL MG1 1 23 GLN HE22 . . 4.270 2.886 2.214 3.828 . 0 0 "[ . 1 . 2]" 1
197 1 21 VAL MG1 1 39 GLY H . . 4.330 3.090 2.927 3.391 . 0 0 "[ . 1 . 2]" 1
198 1 21 VAL MG1 1 39 GLY HA2 . . 3.400 2.865 2.483 3.158 . 0 0 "[ . 1 . 2]" 1
199 1 21 VAL MG1 1 39 GLY HA3 . . 4.780 4.249 3.860 4.587 . 0 0 "[ . 1 . 2]" 1
200 1 21 VAL MG1 1 40 GLU H . . 4.940 4.598 4.339 4.864 . 0 0 "[ . 1 . 2]" 1
201 1 21 VAL MG1 1 41 HIS HD2 . . 4.100 3.749 2.800 4.102 0.002 16 0 "[ . 1 . 2]" 1
202 1 21 VAL MG1 1 71 VAL HA . . 5.330 5.164 4.897 5.321 . 0 0 "[ . 1 . 2]" 1
203 1 21 VAL MG1 1 72 GLN H . . 4.750 4.300 4.156 4.433 . 0 0 "[ . 1 . 2]" 1
204 1 21 VAL MG1 1 72 GLN HB2 . . 5.070 4.615 4.298 5.069 . 0 0 "[ . 1 . 2]" 1
205 1 21 VAL MG1 1 72 GLN HB3 . . 3.880 3.673 3.360 3.885 0.005 12 0 "[ . 1 . 2]" 1
206 1 21 VAL MG2 1 22 ALA H . . 4.080 3.920 3.688 4.046 . 0 0 "[ . 1 . 2]" 1
207 1 21 VAL MG2 1 39 GLY HA2 . . 4.970 4.781 4.193 4.966 . 0 0 "[ . 1 . 2]" 1
208 1 21 VAL MG2 1 41 HIS QB . . 4.660 4.477 4.053 4.655 . 0 0 "[ . 1 . 2]" 1
209 1 21 VAL MG2 1 41 HIS HD2 . . 3.890 3.518 2.491 3.889 . 0 0 "[ . 1 . 2]" 1
210 1 21 VAL MG2 1 41 HIS HE1 . . 4.090 3.694 2.995 4.026 . 0 0 "[ . 1 . 2]" 1
211 1 21 VAL MG2 1 72 GLN HB3 . . 4.490 3.986 3.612 4.494 0.004 12 0 "[ . 1 . 2]" 1
212 1 21 VAL MG2 1 74 SER QB . . 4.720 3.888 3.096 4.710 . 0 0 "[ . 1 . 2]" 1
213 1 22 ALA H 1 22 ALA MB . . 2.930 2.220 2.074 2.256 . 0 0 "[ . 1 . 2]" 1
214 1 22 ALA H 1 38 LYS HA . . 4.720 4.543 4.314 4.723 0.003 16 0 "[ . 1 . 2]" 1
215 1 22 ALA H 1 40 GLU H . . 4.430 4.313 3.878 4.429 . 0 0 "[ . 1 . 2]" 1
216 1 22 ALA H 1 71 VAL MG1 . . 4.500 4.262 3.925 4.486 . 0 0 "[ . 1 . 2]" 1
217 1 22 ALA HA 1 23 GLN H . . 3.200 2.151 2.141 2.210 . 0 0 "[ . 1 . 2]" 1
218 1 22 ALA HA 1 23 GLN QB . . 4.360 4.314 4.249 4.360 0.000 14 0 "[ . 1 . 2]" 1
219 1 22 ALA HA 1 24 TYR H . . 3.950 3.862 3.704 3.952 0.002 12 0 "[ . 1 . 2]" 1
220 1 22 ALA HA 1 38 LYS HA . . 4.710 4.222 3.997 4.560 . 0 0 "[ . 1 . 2]" 1
221 1 22 ALA HA 1 39 GLY H . . 4.730 4.364 4.159 4.565 . 0 0 "[ . 1 . 2]" 1
222 1 22 ALA HA 1 42 ILE MD . . 4.550 3.591 3.270 3.909 . 0 0 "[ . 1 . 2]" 1
223 1 22 ALA HA 1 71 VAL HA . . 3.420 2.582 2.352 2.885 . 0 0 "[ . 1 . 2]" 1
224 1 22 ALA HA 1 71 VAL HB . . 4.090 3.057 2.688 3.304 . 0 0 "[ . 1 . 2]" 1
225 1 22 ALA HA 1 71 VAL MG1 . . 3.020 2.281 2.022 2.575 . 0 0 "[ . 1 . 2]" 1
226 1 22 ALA HA 1 71 VAL MG2 . . 4.610 4.441 4.258 4.590 . 0 0 "[ . 1 . 2]" 1
227 1 22 ALA HA 1 72 GLN H . . 4.100 3.611 3.276 3.919 . 0 0 "[ . 1 . 2]" 1
228 1 22 ALA MB 1 23 GLN H . . 3.620 3.213 2.883 3.440 . 0 0 "[ . 1 . 2]" 1
229 1 22 ALA MB 1 23 GLN HA . . 4.650 4.275 4.119 4.400 . 0 0 "[ . 1 . 2]" 1
230 1 22 ALA MB 1 24 TYR H . . 4.150 3.771 3.397 4.071 . 0 0 "[ . 1 . 2]" 1
231 1 22 ALA MB 1 25 THR HA . . 4.830 4.150 4.028 4.369 . 0 0 "[ . 1 . 2]" 1
232 1 22 ALA MB 1 36 PHE HB2 . . 4.180 2.980 2.666 3.502 . 0 0 "[ . 1 . 2]" 1
233 1 22 ALA MB 1 36 PHE QD . . 3.130 2.148 1.964 2.518 . 0 0 "[ . 1 . 2]" 1
234 1 22 ALA MB 1 36 PHE QE . . 3.370 2.848 2.457 3.237 . 0 0 "[ . 1 . 2]" 1
235 1 22 ALA MB 1 36 PHE HZ . . 4.750 4.527 4.137 4.745 . 0 0 "[ . 1 . 2]" 1
236 1 22 ALA MB 1 38 LYS HA . . 3.160 2.085 1.900 2.296 . 0 0 "[ . 1 . 2]" 1
237 1 22 ALA MB 1 39 GLY H . . 3.330 2.204 1.991 2.504 . 0 0 "[ . 1 . 2]" 1
238 1 22 ALA MB 1 39 GLY HA2 . . 4.200 4.110 3.916 4.199 . 0 0 "[ . 1 . 2]" 1
239 1 22 ALA MB 1 40 GLU H . . 3.180 2.904 2.522 3.177 . 0 0 "[ . 1 . 2]" 1
240 1 22 ALA MB 1 40 GLU HB2 . . 3.750 2.898 2.601 3.124 . 0 0 "[ . 1 . 2]" 1
241 1 22 ALA MB 1 40 GLU HB3 . . 4.260 4.064 3.837 4.264 0.004 16 0 "[ . 1 . 2]" 1
242 1 22 ALA MB 1 40 GLU QG . . 4.640 4.116 3.676 4.339 . 0 0 "[ . 1 . 2]" 1
243 1 22 ALA MB 1 42 ILE MD . . 3.090 2.429 2.023 2.772 . 0 0 "[ . 1 . 2]" 1
244 1 22 ALA MB 1 71 VAL HA . . 4.400 4.130 3.920 4.402 0.002 4 0 "[ . 1 . 2]" 1
245 1 22 ALA MB 1 71 VAL MG1 . . 3.410 2.989 2.746 3.186 . 0 0 "[ . 1 . 2]" 1
246 1 23 GLN H 1 23 GLN QB . . 3.320 2.360 2.285 2.520 . 0 0 "[ . 1 . 2]" 1
247 1 23 GLN H 1 23 GLN HG2 . . 3.940 2.826 2.570 3.011 . 0 0 "[ . 1 . 2]" 1
248 1 23 GLN H 1 23 GLN HG3 . . 4.150 4.018 3.780 4.149 . 0 0 "[ . 1 . 2]" 1
249 1 23 GLN H 1 24 TYR H . . 3.010 2.232 1.956 2.517 . 0 0 "[ . 1 . 2]" 1
250 1 23 GLN H 1 24 TYR QD . . 4.680 3.743 3.476 4.079 . 0 0 "[ . 1 . 2]" 1
251 1 23 GLN H 1 71 VAL H . . 5.080 4.718 4.564 4.903 . 0 0 "[ . 1 . 2]" 1
252 1 23 GLN H 1 71 VAL HA . . 3.430 2.147 1.946 2.380 . 0 0 "[ . 1 . 2]" 1
253 1 23 GLN H 1 71 VAL HB . . 4.570 4.069 3.691 4.382 . 0 0 "[ . 1 . 2]" 1
254 1 23 GLN H 1 71 VAL MG1 . . 3.620 3.305 2.883 3.620 0.000 18 0 "[ . 1 . 2]" 1
255 1 23 GLN H 1 72 GLN H . . 4.080 3.734 3.376 4.034 . 0 0 "[ . 1 . 2]" 1
256 1 23 GLN HA 1 23 GLN HG2 . . 3.850 2.955 2.788 3.185 . 0 0 "[ . 1 . 2]" 1
257 1 23 GLN HA 1 23 GLN HG3 . . 3.820 3.699 3.647 3.748 . 0 0 "[ . 1 . 2]" 1
258 1 23 GLN HA 1 38 LYS HA . . 4.680 4.109 3.672 4.412 . 0 0 "[ . 1 . 2]" 1
259 1 23 GLN HA 1 38 LYS HE2 . . 4.820 3.678 2.507 4.803 . 0 0 "[ . 1 . 2]" 1
260 1 23 GLN HA 1 38 LYS QE . . 3.960 3.084 2.429 3.934 . 0 0 "[ . 1 . 2]" 1
261 1 23 GLN HA 1 38 LYS HE3 . . 4.820 3.896 2.450 4.810 . 0 0 "[ . 1 . 2]" 1
262 1 23 GLN HA 1 38 LYS HG2 . . 4.230 3.861 2.320 4.212 . 0 0 "[ . 1 . 2]" 1
263 1 23 GLN HA 1 38 LYS HG3 . . 3.860 2.609 2.210 3.224 . 0 0 "[ . 1 . 2]" 1
264 1 23 GLN HA 1 39 GLY H . . 4.730 4.112 3.500 4.448 . 0 0 "[ . 1 . 2]" 1
265 1 23 GLN QB 1 24 TYR H . . 3.430 2.617 2.417 2.899 . 0 0 "[ . 1 . 2]" 1
266 1 23 GLN QB 1 24 TYR QD . . 3.410 2.219 1.977 2.319 . 0 0 "[ . 1 . 2]" 1
267 1 23 GLN QB 1 24 TYR QE . . 3.540 2.544 2.446 2.671 . 0 0 "[ . 1 . 2]" 1
268 1 23 GLN QB 1 70 TYR HA . . 4.650 4.060 3.845 4.200 . 0 0 "[ . 1 . 2]" 1
269 1 23 GLN QB 1 71 VAL H . . 5.220 4.798 4.468 5.068 . 0 0 "[ . 1 . 2]" 1
270 1 23 GLN QB 1 71 VAL HA . . 3.960 3.155 2.783 3.405 . 0 0 "[ . 1 . 2]" 1
271 1 23 GLN QE 1 23 GLN HG2 . . 3.350 2.178 2.098 2.299 . 0 0 "[ . 1 . 2]" 1
272 1 23 GLN QE 1 72 GLN HB3 . . 4.690 2.733 1.917 3.499 . 0 0 "[ . 1 . 2]" 1
273 1 23 GLN HE22 1 23 GLN HG2 . . 4.020 3.469 3.437 3.521 . 0 0 "[ . 1 . 2]" 1
274 1 23 GLN HG2 1 24 TYR QD . . 4.810 4.689 4.436 4.811 0.001 12 0 "[ . 1 . 2]" 1
275 1 23 GLN HG2 1 24 TYR QE . . 4.890 4.791 4.653 4.891 0.001 12 0 "[ . 1 . 2]" 1
276 1 23 GLN HG2 1 71 VAL HA . . 4.080 3.224 2.850 3.610 . 0 0 "[ . 1 . 2]" 1
277 1 23 GLN HG2 1 72 GLN H . . 4.010 2.990 2.571 3.328 . 0 0 "[ . 1 . 2]" 1
278 1 23 GLN HG3 1 24 TYR QD . . 4.450 4.362 4.185 4.452 0.002 11 0 "[ . 1 . 2]" 1
279 1 23 GLN HG3 1 24 TYR QE . . 4.210 3.617 3.476 3.698 . 0 0 "[ . 1 . 2]" 1
280 1 23 GLN HG3 1 71 VAL HA . . 4.510 4.280 3.792 4.500 . 0 0 "[ . 1 . 2]" 1
281 1 23 GLN HG3 1 72 GLN H . . 4.590 4.225 3.691 4.497 . 0 0 "[ . 1 . 2]" 1
282 1 24 TYR H 1 24 TYR HB2 . . 3.660 2.760 2.667 2.843 . 0 0 "[ . 1 . 2]" 1
283 1 24 TYR H 1 24 TYR HB3 . . 3.910 3.825 3.777 3.888 . 0 0 "[ . 1 . 2]" 1
284 1 24 TYR H 1 24 TYR QD . . 3.780 2.498 2.265 2.764 . 0 0 "[ . 1 . 2]" 1
285 1 24 TYR H 1 24 TYR QE . . 4.880 4.555 4.406 4.798 . 0 0 "[ . 1 . 2]" 1
286 1 24 TYR H 1 25 THR H . . 4.480 4.382 4.313 4.444 . 0 0 "[ . 1 . 2]" 1
287 1 24 TYR H 1 38 LYS HG3 . . 5.140 4.432 4.163 4.789 . 0 0 "[ . 1 . 2]" 1
288 1 24 TYR H 1 70 TYR HA . . 4.310 4.044 3.470 4.312 0.002 14 0 "[ . 1 . 2]" 1
289 1 24 TYR H 1 71 VAL HA . . 3.970 3.748 3.620 3.909 . 0 0 "[ . 1 . 2]" 1
290 1 24 TYR H 1 71 VAL MG1 . . 4.390 4.191 3.740 4.390 0.000 5 0 "[ . 1 . 2]" 1
291 1 24 TYR HB2 1 25 THR H . . 4.080 3.981 3.773 4.080 . 9 0 "[ . 1 . 2]" 1
292 1 24 TYR HB2 1 70 TYR HA . . 4.680 3.227 2.547 3.707 . 0 0 "[ . 1 . 2]" 1
293 1 24 TYR HB2 1 70 TYR QD . . 3.690 3.234 2.877 3.525 . 0 0 "[ . 1 . 2]" 1
294 1 24 TYR HB2 1 70 TYR QE . . 4.930 4.685 4.334 4.918 . 0 0 "[ . 1 . 2]" 1
295 1 24 TYR HB3 1 25 THR H . . 3.400 3.088 2.887 3.226 . 0 0 "[ . 1 . 2]" 1
296 1 24 TYR HB3 1 70 TYR QD . . 4.670 4.318 3.815 4.666 . 0 0 "[ . 1 . 2]" 1
297 1 24 TYR QD 1 25 THR H . . 4.430 4.372 4.278 4.427 . 0 0 "[ . 1 . 2]" 1
298 1 24 TYR QD 1 70 TYR HA . . 3.130 2.658 2.198 2.967 . 0 0 "[ . 1 . 2]" 1
299 1 24 TYR QD 1 70 TYR HB3 . . 4.550 4.072 3.959 4.182 . 0 0 "[ . 1 . 2]" 1
300 1 24 TYR QE 1 70 TYR HA . . 4.180 4.137 4.010 4.180 0.000 12 0 "[ . 1 . 2]" 1
301 1 25 THR H 1 25 THR HB . . 2.960 2.632 2.571 2.705 . 0 0 "[ . 1 . 2]" 1
302 1 25 THR H 1 25 THR MG . . 3.780 3.766 3.754 3.777 . 0 0 "[ . 1 . 2]" 1
303 1 25 THR H 1 38 LYS H . . 4.560 4.019 3.593 4.379 . 0 0 "[ . 1 . 2]" 1
304 1 25 THR H 1 38 LYS QB . . 3.520 3.225 2.938 3.522 0.002 6 0 "[ . 1 . 2]" 1
305 1 25 THR HA 1 25 THR MG . . 3.150 2.321 2.214 2.438 . 0 0 "[ . 1 . 2]" 1
306 1 25 THR HA 1 26 PHE H . . 2.960 2.154 2.141 2.194 . 0 0 "[ . 1 . 2]" 1
307 1 25 THR HA 1 36 PHE QD . . 4.310 3.458 3.256 3.677 . 0 0 "[ . 1 . 2]" 1
308 1 25 THR HA 1 37 ARG HA . . 3.810 2.981 2.295 3.632 . 0 0 "[ . 1 . 2]" 1
309 1 25 THR HA 1 38 LYS H . . 3.750 3.074 2.652 3.461 . 0 0 "[ . 1 . 2]" 1
310 1 25 THR HB 1 26 PHE H . . 4.450 4.187 3.936 4.321 . 0 0 "[ . 1 . 2]" 1
311 1 25 THR HB 1 38 LYS H . . 4.820 4.638 4.338 4.797 . 0 0 "[ . 1 . 2]" 1
312 1 25 THR MG 1 26 PHE H . . 3.270 2.682 2.081 3.234 . 0 0 "[ . 1 . 2]" 1
313 1 25 THR MG 1 36 PHE QD . . 4.650 4.509 4.250 4.643 . 0 0 "[ . 1 . 2]" 1
314 1 25 THR MG 1 37 ARG H . . 4.800 4.613 4.276 4.802 0.002 8 0 "[ . 1 . 2]" 1
315 1 25 THR MG 1 37 ARG HA . . 3.070 2.431 2.082 2.707 . 0 0 "[ . 1 . 2]" 1
316 1 25 THR MG 1 37 ARG QD . . 4.730 3.657 1.996 4.465 . 0 0 "[ . 1 . 2]" 1
317 1 25 THR MG 1 37 ARG QG . . 3.750 2.627 1.886 3.289 . 0 0 "[ . 1 . 2]" 1
318 1 25 THR MG 1 38 LYS H . . 3.800 3.424 3.074 3.784 . 0 0 "[ . 1 . 2]" 1
319 1 26 PHE H 1 26 PHE HB2 . . 3.780 2.876 2.654 3.080 . 0 0 "[ . 1 . 2]" 1
320 1 26 PHE H 1 26 PHE HB3 . . 3.570 2.541 2.451 2.695 . 0 0 "[ . 1 . 2]" 1
321 1 26 PHE H 1 26 PHE QD . . 4.420 4.236 4.184 4.318 . 0 0 "[ . 1 . 2]" 1
322 1 26 PHE H 1 27 LYS H . . 4.580 4.540 4.475 4.583 0.003 8 0 "[ . 1 . 2]" 1
323 1 26 PHE H 1 36 PHE QD . . 4.050 3.352 2.674 3.830 . 0 0 "[ . 1 . 2]" 1
324 1 26 PHE H 1 36 PHE QE . . 4.510 3.552 2.901 4.242 . 0 0 "[ . 1 . 2]" 1
325 1 26 PHE H 1 38 LYS H . . 5.480 4.968 4.597 5.389 . 0 0 "[ . 1 . 2]" 1
326 1 26 PHE HA 1 26 PHE QD . . 3.490 2.738 2.364 3.022 . 0 0 "[ . 1 . 2]" 1
327 1 26 PHE HA 1 26 PHE QE . . 4.700 4.602 4.443 4.700 . 0 0 "[ . 1 . 2]" 1
328 1 26 PHE HA 1 27 LYS H . . 2.920 2.379 2.292 2.483 . 0 0 "[ . 1 . 2]" 1
329 1 26 PHE HA 1 27 LYS HB2 . . 4.580 4.349 4.223 4.502 . 0 0 "[ . 1 . 2]" 1
330 1 26 PHE HA 1 27 LYS HB3 . . 4.580 4.480 4.390 4.572 . 0 0 "[ . 1 . 2]" 1
331 1 26 PHE HA 1 36 PHE QE . . 5.500 5.019 4.297 5.495 . 0 0 "[ . 1 . 2]" 1
332 1 26 PHE HA 1 70 TYR QD . . 4.480 3.433 2.679 3.875 . 0 0 "[ . 1 . 2]" 1
333 1 26 PHE HA 1 70 TYR QE . . 3.940 3.559 2.999 3.925 . 0 0 "[ . 1 . 2]" 1
334 1 26 PHE HB2 1 27 LYS H . . 4.210 3.828 3.697 3.957 . 0 0 "[ . 1 . 2]" 1
335 1 26 PHE HB2 1 36 PHE H . . 4.530 4.434 4.187 4.531 0.001 8 0 "[ . 1 . 2]" 1
336 1 26 PHE HB2 1 36 PHE QD . . 5.230 4.408 3.844 4.627 . 0 0 "[ . 1 . 2]" 1
337 1 26 PHE HB2 1 36 PHE QE . . 4.490 3.227 2.291 3.690 . 0 0 "[ . 1 . 2]" 1
338 1 26 PHE HB2 1 36 PHE HZ . . 4.600 3.212 2.649 3.608 . 0 0 "[ . 1 . 2]" 1
339 1 26 PHE HB2 1 70 TYR QD . . 3.990 2.580 2.231 2.800 . 0 0 "[ . 1 . 2]" 1
340 1 26 PHE HB2 1 70 TYR QE . . 4.280 4.007 3.728 4.263 . 0 0 "[ . 1 . 2]" 1
341 1 26 PHE HB3 1 27 LYS H . . 3.830 3.631 3.375 3.803 . 0 0 "[ . 1 . 2]" 1
342 1 26 PHE HB3 1 36 PHE H . . 3.880 2.873 2.709 3.031 . 0 0 "[ . 1 . 2]" 1
343 1 26 PHE HB3 1 36 PHE QD . . 4.840 3.848 3.385 4.167 . 0 0 "[ . 1 . 2]" 1
344 1 26 PHE HB3 1 36 PHE QE . . 4.660 3.510 2.944 3.860 . 0 0 "[ . 1 . 2]" 1
345 1 26 PHE HB3 1 36 PHE HZ . . 5.290 3.792 3.318 4.200 . 0 0 "[ . 1 . 2]" 1
346 1 26 PHE HB3 1 70 TYR QD . . 4.670 4.298 3.979 4.524 . 0 0 "[ . 1 . 2]" 1
347 1 26 PHE QD 1 27 LYS H . . 3.700 2.894 2.643 3.044 . 0 0 "[ . 1 . 2]" 1
348 1 26 PHE QD 1 36 PHE H . . 4.270 3.768 3.235 4.172 . 0 0 "[ . 1 . 2]" 1
349 1 26 PHE QD 1 36 PHE HZ . . 5.500 4.481 3.888 4.878 . 0 0 "[ . 1 . 2]" 1
350 1 26 PHE QE 1 28 GLY H . . 4.750 4.016 3.404 4.679 . 0 0 "[ . 1 . 2]" 1
351 1 26 PHE QE 1 28 GLY HA2 . . 4.410 3.548 2.865 4.147 . 0 0 "[ . 1 . 2]" 1
352 1 26 PHE QE 1 28 GLY QA . . 3.740 2.465 2.004 3.073 . 0 0 "[ . 1 . 2]" 1
353 1 26 PHE QE 1 28 GLY HA3 . . 4.410 2.532 2.034 3.224 . 0 0 "[ . 1 . 2]" 1
354 1 26 PHE QE 1 33 GLU HB2 . . 4.270 4.048 3.720 4.270 . 10 0 "[ . 1 . 2]" 1
355 1 26 PHE QE 1 33 GLU QB . . 3.690 2.416 2.038 2.710 . 0 0 "[ . 1 . 2]" 1
356 1 26 PHE QE 1 33 GLU HB3 . . 4.270 2.436 2.047 2.748 . 0 0 "[ . 1 . 2]" 1
357 1 26 PHE QE 1 33 GLU QG . . 4.920 4.093 3.094 4.600 . 0 0 "[ . 1 . 2]" 1
358 1 26 PHE QE 1 34 LEU H . . 4.660 4.100 3.532 4.645 . 0 0 "[ . 1 . 2]" 1
359 1 26 PHE QE 1 66 PHE HA . . 5.500 4.724 4.015 5.211 . 0 0 "[ . 1 . 2]" 1
360 1 26 PHE QE 1 67 PRO HD2 . . 4.920 4.036 3.563 4.535 . 0 0 "[ . 1 . 2]" 1
361 1 26 PHE QE 1 67 PRO HD3 . . 4.790 3.833 3.178 4.368 . 0 0 "[ . 1 . 2]" 1
362 1 26 PHE QE 1 67 PRO QG . . 4.530 3.038 2.206 3.633 . 0 0 "[ . 1 . 2]" 1
363 1 26 PHE HZ 1 28 GLY QA . . 4.380 3.829 3.341 4.274 . 0 0 "[ . 1 . 2]" 1
364 1 26 PHE HZ 1 33 GLU QB . . 4.720 3.440 2.818 3.777 . 0 0 "[ . 1 . 2]" 1
365 1 26 PHE HZ 1 67 PRO HD3 . . 5.170 4.099 3.561 4.759 . 0 0 "[ . 1 . 2]" 1
366 1 27 LYS H 1 27 LYS HB2 . . 3.490 3.244 3.059 3.391 . 0 0 "[ . 1 . 2]" 1
367 1 27 LYS H 1 27 LYS HB3 . . 3.490 2.761 2.504 2.907 . 0 0 "[ . 1 . 2]" 1
368 1 27 LYS H 1 27 LYS QG . . 4.260 4.109 4.004 4.210 . 0 0 "[ . 1 . 2]" 1
369 1 27 LYS HA 1 27 LYS HD2 . . 5.140 4.303 2.246 4.904 . 0 0 "[ . 1 . 2]" 1
370 1 27 LYS HA 1 27 LYS QD . . 4.320 3.720 2.046 4.196 . 0 0 "[ . 1 . 2]" 1
371 1 27 LYS HA 1 27 LYS HD3 . . 5.140 4.250 2.058 4.904 . 0 0 "[ . 1 . 2]" 1
372 1 27 LYS HA 1 27 LYS HG2 . . 3.880 3.193 2.418 3.837 . 0 0 "[ . 1 . 2]" 1
373 1 27 LYS HA 1 27 LYS HG3 . . 3.880 2.725 2.361 3.559 . 0 0 "[ . 1 . 2]" 1
374 1 27 LYS HA 1 28 GLY H . . 2.960 2.160 2.144 2.205 . 0 0 "[ . 1 . 2]" 1
375 1 27 LYS HA 1 28 GLY HA2 . . 4.620 4.407 4.386 4.453 . 0 0 "[ . 1 . 2]" 1
376 1 27 LYS HA 1 28 GLY QA . . 4.060 3.911 3.902 3.933 . 0 0 "[ . 1 . 2]" 1
377 1 27 LYS HA 1 28 GLY HA3 . . 4.620 4.374 4.324 4.426 . 0 0 "[ . 1 . 2]" 1
378 1 27 LYS HA 1 35 SER HA . . 5.080 4.051 3.612 4.976 . 0 0 "[ . 1 . 2]" 1
379 1 27 LYS HA 1 35 SER QB . . 4.040 2.891 2.038 3.933 . 0 0 "[ . 1 . 2]" 1
380 1 27 LYS QB 1 28 GLY H . . 3.920 3.798 3.623 3.928 0.008 5 0 "[ . 1 . 2]" 1
381 1 27 LYS HB2 1 28 GLY H . . 4.490 4.275 4.121 4.390 . 0 0 "[ . 1 . 2]" 1
382 1 27 LYS HB3 1 28 GLY H . . 4.490 4.254 4.012 4.442 . 0 0 "[ . 1 . 2]" 1
383 1 27 LYS QE 1 27 LYS QG . . 3.330 2.195 2.080 2.428 . 0 0 "[ . 1 . 2]" 1
384 1 27 LYS HG2 1 28 GLY H . . 4.410 3.428 2.508 4.356 . 0 0 "[ . 1 . 2]" 1
385 1 27 LYS HG3 1 28 GLY H . . 4.410 3.315 2.448 4.192 . 0 0 "[ . 1 . 2]" 1
386 1 28 GLY H 1 29 ASP H . . 4.400 4.305 4.057 4.403 0.003 16 0 "[ . 1 . 2]" 1
387 1 28 GLY H 1 35 SER HB2 . . 4.580 3.759 1.905 4.437 . 0 0 "[ . 1 . 2]" 1
388 1 28 GLY H 1 35 SER QB . . 3.990 2.916 1.875 3.702 . 0 0 "[ . 1 . 2]" 1
389 1 28 GLY H 1 35 SER HB3 . . 4.580 3.171 1.905 4.196 . 0 0 "[ . 1 . 2]" 1
390 1 28 GLY QA 1 29 ASP H . . 3.090 2.171 2.110 2.256 . 0 0 "[ . 1 . 2]" 1
391 1 28 GLY QA 1 29 ASP HA . . 4.590 3.974 3.937 4.088 . 0 0 "[ . 1 . 2]" 1
392 1 28 GLY QA 1 33 GLU QB . . 3.290 2.091 1.938 2.413 . 0 0 "[ . 1 . 2]" 1
393 1 28 GLY HA2 1 30 LEU H . . 4.450 3.916 3.449 4.175 . 0 0 "[ . 1 . 2]" 1
394 1 28 GLY HA2 1 33 GLU HB2 . . 4.280 3.721 2.972 4.254 . 0 0 "[ . 1 . 2]" 1
395 1 28 GLY HA2 1 33 GLU HB3 . . 4.280 3.196 2.442 4.004 . 0 0 "[ . 1 . 2]" 1
396 1 28 GLY HA3 1 30 LEU H . . 4.450 4.092 3.451 4.424 . 0 0 "[ . 1 . 2]" 1
397 1 28 GLY HA3 1 33 GLU HB2 . . 4.280 2.918 2.613 3.515 . 0 0 "[ . 1 . 2]" 1
398 1 28 GLY HA3 1 33 GLU HB3 . . 4.280 2.221 2.004 2.614 . 0 0 "[ . 1 . 2]" 1
399 1 29 ASP H 1 29 ASP QB . . 3.410 2.463 2.243 3.116 . 0 0 "[ . 1 . 2]" 1
400 1 29 ASP H 1 30 LEU H . . 3.180 2.104 1.817 2.523 . 0 0 "[ . 1 . 2]" 1
401 1 29 ASP H 1 30 LEU MD1 . . 5.500 4.449 2.861 5.111 . 0 0 "[ . 1 . 2]" 1
402 1 29 ASP H 1 30 LEU MD2 . . 5.500 4.961 4.258 5.364 . 0 0 "[ . 1 . 2]" 1
403 1 29 ASP H 1 33 GLU QB . . 4.280 3.179 2.626 3.531 . 0 0 "[ . 1 . 2]" 1
404 1 29 ASP QB 1 30 LEU H . . 3.610 2.807 2.548 3.350 . 0 0 "[ . 1 . 2]" 1
405 1 29 ASP QB 1 30 LEU QD . . 3.910 3.521 2.174 3.911 0.001 16 0 "[ . 1 . 2]" 1
406 1 29 ASP QB 1 30 LEU HG . . 4.120 3.576 3.185 4.065 . 0 0 "[ . 1 . 2]" 1
407 1 30 LEU H 1 30 LEU HB2 . . 3.520 2.491 2.271 2.674 . 0 0 "[ . 1 . 2]" 1
408 1 30 LEU H 1 30 LEU HB3 . . 3.600 3.587 3.549 3.611 0.011 7 0 "[ . 1 . 2]" 1
409 1 30 LEU H 1 30 LEU MD1 . . 3.960 3.349 1.880 3.910 . 0 0 "[ . 1 . 2]" 1
410 1 30 LEU H 1 30 LEU MD2 . . 3.960 3.501 2.936 3.955 . 0 0 "[ . 1 . 2]" 1
411 1 30 LEU H 1 30 LEU HG . . 3.590 2.398 1.965 3.496 . 0 0 "[ . 1 . 2]" 1
412 1 30 LEU H 1 31 GLU H . . 4.810 4.609 4.533 4.642 . 0 0 "[ . 1 . 2]" 1
413 1 30 LEU H 1 32 VAL MG2 . . 5.380 4.817 4.522 5.360 . 0 0 "[ . 1 . 2]" 1
414 1 30 LEU H 1 33 GLU H . . 4.400 4.272 3.920 4.398 . 0 0 "[ . 1 . 2]" 1
415 1 30 LEU H 1 33 GLU HB2 . . 4.310 2.698 2.309 2.819 . 0 0 "[ . 1 . 2]" 1
416 1 30 LEU H 1 33 GLU QB . . 3.660 2.659 2.286 2.781 . 0 0 "[ . 1 . 2]" 1
417 1 30 LEU H 1 33 GLU HB3 . . 4.310 4.034 3.525 4.251 . 0 0 "[ . 1 . 2]" 1
418 1 30 LEU HA 1 30 LEU QD . . 2.910 2.315 1.982 2.897 . 0 0 "[ . 1 . 2]" 1
419 1 30 LEU HA 1 30 LEU HG . . 3.700 2.982 2.471 3.214 . 0 0 "[ . 1 . 2]" 1
420 1 30 LEU HA 1 31 GLU QB . . 4.810 4.292 4.123 4.812 0.002 5 0 "[ . 1 . 2]" 1
421 1 30 LEU HA 1 32 VAL H . . 5.010 4.607 4.217 4.998 . 0 0 "[ . 1 . 2]" 1
422 1 30 LEU HB2 1 30 LEU MD1 . . 3.600 2.212 2.061 2.334 . 0 0 "[ . 1 . 2]" 1
423 1 30 LEU HB2 1 30 LEU QD . . 2.990 2.161 2.035 2.279 . 0 0 "[ . 1 . 2]" 1
424 1 30 LEU HB2 1 30 LEU MD2 . . 3.600 3.104 2.412 3.193 . 0 0 "[ . 1 . 2]" 1
425 1 30 LEU HB2 1 32 VAL H . . 4.230 3.906 3.314 4.211 . 0 0 "[ . 1 . 2]" 1
426 1 30 LEU HB2 1 32 VAL MG2 . . 3.290 2.755 2.446 3.107 . 0 0 "[ . 1 . 2]" 1
427 1 30 LEU HB2 1 33 GLU H . . 4.080 2.654 2.275 2.892 . 0 0 "[ . 1 . 2]" 1
428 1 30 LEU HB2 1 33 GLU HA . . 5.460 4.643 4.138 5.087 . 0 0 "[ . 1 . 2]" 1
429 1 30 LEU HB2 1 33 GLU HB2 . . 4.880 2.509 1.998 2.837 . 0 0 "[ . 1 . 2]" 1
430 1 30 LEU HB2 1 33 GLU HB3 . . 4.880 3.980 3.492 4.376 . 0 0 "[ . 1 . 2]" 1
431 1 30 LEU HB2 1 33 GLU HG2 . . 4.270 2.875 2.099 4.168 . 0 0 "[ . 1 . 2]" 1
432 1 30 LEU HB2 1 33 GLU HG3 . . 4.270 2.453 2.006 3.870 . 0 0 "[ . 1 . 2]" 1
433 1 30 LEU HB3 1 30 LEU MD1 . . 3.430 2.527 2.335 3.180 . 0 0 "[ . 1 . 2]" 1
434 1 30 LEU HB3 1 30 LEU MD2 . . 3.430 2.224 2.067 2.408 . 0 0 "[ . 1 . 2]" 1
435 1 30 LEU HB3 1 31 GLU H . . 4.310 2.610 2.038 3.097 . 0 0 "[ . 1 . 2]" 1
436 1 30 LEU HB3 1 32 VAL H . . 4.510 3.203 2.731 3.795 . 0 0 "[ . 1 . 2]" 1
437 1 30 LEU HB3 1 32 VAL MG2 . . 3.520 2.603 2.144 3.218 . 0 0 "[ . 1 . 2]" 1
438 1 30 LEU HB3 1 33 GLU H . . 4.230 3.355 2.968 3.573 . 0 0 "[ . 1 . 2]" 1
439 1 30 LEU HB3 1 33 GLU QG . . 4.060 3.465 3.109 3.938 . 0 0 "[ . 1 . 2]" 1
440 1 30 LEU QD 1 31 GLU H . . 4.510 3.355 2.737 3.949 . 0 0 "[ . 1 . 2]" 1
441 1 30 LEU QD 1 32 VAL H . . 5.440 4.181 3.775 4.657 . 0 0 "[ . 1 . 2]" 1
442 1 30 LEU QD 1 33 GLU QG . . 3.900 2.408 1.807 2.993 . 0 0 "[ . 1 . 2]" 1
443 1 31 GLU H 1 31 GLU QB . . 3.790 2.278 2.134 2.770 . 0 0 "[ . 1 . 2]" 1
444 1 31 GLU H 1 31 GLU QG . . 4.480 3.547 1.833 4.062 . 0 0 "[ . 1 . 2]" 1
445 1 31 GLU H 1 32 VAL H . . 4.610 2.878 2.607 3.289 . 0 0 "[ . 1 . 2]" 1
446 1 31 GLU HA 1 31 GLU QG . . 3.440 2.489 2.210 3.283 . 0 0 "[ . 1 . 2]" 1
447 1 31 GLU HA 1 32 VAL MG2 . . 4.950 4.850 4.709 4.951 0.001 8 0 "[ . 1 . 2]" 1
448 1 31 GLU HA 1 33 GLU H . . 4.590 4.248 3.760 4.585 . 0 0 "[ . 1 . 2]" 1
449 1 31 GLU QB 1 32 VAL H . . 3.670 2.316 1.979 3.160 . 0 0 "[ . 1 . 2]" 1
450 1 31 GLU QB 1 32 VAL HA . . 4.420 3.900 3.679 4.159 . 0 0 "[ . 1 . 2]" 1
451 1 31 GLU QB 1 32 VAL MG1 . . 3.920 3.093 2.942 3.333 . 0 0 "[ . 1 . 2]" 1
452 1 31 GLU QB 1 32 VAL MG2 . . 4.120 3.858 3.602 4.139 0.019 8 0 "[ . 1 . 2]" 1
453 1 31 GLU QG 1 32 VAL H . . 4.110 3.664 1.887 4.106 . 0 0 "[ . 1 . 2]" 1
454 1 31 GLU QG 1 32 VAL MG1 . . 4.570 4.107 2.928 4.566 . 0 0 "[ . 1 . 2]" 1
455 1 32 VAL H 1 32 VAL HB . . 3.960 3.614 3.583 3.624 . 0 0 "[ . 1 . 2]" 1
456 1 32 VAL H 1 32 VAL MG1 . . 3.320 2.266 1.984 2.778 . 0 0 "[ . 1 . 2]" 1
457 1 32 VAL H 1 32 VAL MG2 . . 3.150 2.025 1.875 2.264 . 0 0 "[ . 1 . 2]" 1
458 1 32 VAL H 1 33 GLU H . . 3.500 2.713 2.317 2.930 . 0 0 "[ . 1 . 2]" 1
459 1 32 VAL HA 1 32 VAL MG1 . . 3.110 2.298 2.173 2.396 . 0 0 "[ . 1 . 2]" 1
460 1 32 VAL HA 1 32 VAL MG2 . . 3.350 3.193 3.162 3.203 . 0 0 "[ . 1 . 2]" 1
461 1 32 VAL HA 1 33 GLU HA . . 4.960 4.696 4.591 4.791 . 0 0 "[ . 1 . 2]" 1
462 1 32 VAL HA 1 65 ILE H . . 3.720 3.059 2.187 3.427 . 0 0 "[ . 1 . 2]" 1
463 1 32 VAL HA 1 65 ILE MD . . 4.730 4.428 3.525 4.716 . 0 0 "[ . 1 . 2]" 1
464 1 32 VAL HA 1 65 ILE HG12 . . 4.530 3.184 2.055 3.560 . 0 0 "[ . 1 . 2]" 1
465 1 32 VAL HA 1 65 ILE MG . . 4.530 3.993 3.462 4.451 . 0 0 "[ . 1 . 2]" 1
466 1 32 VAL HB 1 65 ILE MD . . 4.150 2.730 2.036 3.019 . 0 0 "[ . 1 . 2]" 1
467 1 32 VAL HB 1 65 ILE MG . . 4.920 3.769 3.378 4.077 . 0 0 "[ . 1 . 2]" 1
468 1 32 VAL MG1 1 33 GLU H . . 4.160 3.984 3.869 4.214 0.054 8 0 "[ . 1 . 2]" 1
469 1 32 VAL MG1 1 65 ILE MD . . 3.850 3.557 2.350 3.847 . 0 0 "[ . 1 . 2]" 1
470 1 32 VAL MG2 1 33 GLU H . . 3.720 2.105 1.861 2.639 . 0 0 "[ . 1 . 2]" 1
471 1 32 VAL MG2 1 33 GLU HA . . 4.480 3.479 3.214 3.777 . 0 0 "[ . 1 . 2]" 1
472 1 32 VAL MG2 1 33 GLU QB . . 4.720 3.537 3.346 3.840 . 0 0 "[ . 1 . 2]" 1
473 1 32 VAL MG2 1 33 GLU HG2 . . 4.090 2.485 1.953 3.778 . 0 0 "[ . 1 . 2]" 1
474 1 32 VAL MG2 1 33 GLU QG . . 3.560 2.207 1.942 3.479 . 0 0 "[ . 1 . 2]" 1
475 1 32 VAL MG2 1 33 GLU HG3 . . 4.090 3.129 2.071 4.069 . 0 0 "[ . 1 . 2]" 1
476 1 32 VAL MG2 1 65 ILE MD . . 3.780 3.280 2.901 3.679 . 0 0 "[ . 1 . 2]" 1
477 1 33 GLU H 1 33 GLU HB2 . . 4.130 2.467 2.336 2.617 . 0 0 "[ . 1 . 2]" 1
478 1 33 GLU H 1 33 GLU QB . . 3.490 2.428 2.307 2.560 . 0 0 "[ . 1 . 2]" 1
479 1 33 GLU H 1 33 GLU HB3 . . 4.130 3.614 3.569 3.684 . 0 0 "[ . 1 . 2]" 1
480 1 33 GLU H 1 33 GLU HG2 . . 3.890 2.801 2.083 3.617 . 0 0 "[ . 1 . 2]" 1
481 1 33 GLU H 1 33 GLU QG . . 3.320 2.429 2.063 3.191 . 0 0 "[ . 1 . 2]" 1
482 1 33 GLU H 1 33 GLU HG3 . . 3.890 3.236 2.337 3.825 . 0 0 "[ . 1 . 2]" 1
483 1 33 GLU H 1 34 LEU H . . 4.870 4.134 2.815 4.401 . 0 0 "[ . 1 . 2]" 1
484 1 33 GLU H 1 65 ILE H . . 5.010 4.914 4.703 5.012 0.002 16 0 "[ . 1 . 2]" 1
485 1 33 GLU HA 1 34 LEU H . . 3.310 2.243 2.149 2.933 . 0 0 "[ . 1 . 2]" 1
486 1 33 GLU HA 1 65 ILE HG13 . . 5.200 3.439 3.035 4.411 . 0 0 "[ . 1 . 2]" 1
487 1 33 GLU QB 1 34 LEU H . . 3.780 3.664 3.492 3.780 . 0 0 "[ . 1 . 2]" 1
488 1 33 GLU QG 1 34 LEU H . . 4.910 4.581 4.248 4.884 . 0 0 "[ . 1 . 2]" 1
489 1 33 GLU QG 1 52 TRP HZ3 . . 5.340 4.538 3.595 5.331 . 0 0 "[ . 1 . 2]" 1
490 1 34 LEU H 1 34 LEU HB2 . . 3.770 2.914 2.636 3.152 . 0 0 "[ . 1 . 2]" 1
491 1 34 LEU H 1 34 LEU QB . . 3.300 2.229 2.141 2.317 . 0 0 "[ . 1 . 2]" 1
492 1 34 LEU H 1 34 LEU HB3 . . 3.770 2.318 2.206 2.416 . 0 0 "[ . 1 . 2]" 1
493 1 34 LEU H 1 34 LEU MD1 . . 4.530 4.324 4.146 4.459 . 0 0 "[ . 1 . 2]" 1
494 1 34 LEU H 1 34 LEU MD2 . . 4.170 4.121 4.041 4.169 . 0 0 "[ . 1 . 2]" 1
495 1 34 LEU H 1 34 LEU HG . . 4.510 4.284 4.206 4.411 . 0 0 "[ . 1 . 2]" 1
496 1 34 LEU H 1 65 ILE H . . 3.860 3.363 2.916 3.845 . 0 0 "[ . 1 . 2]" 1
497 1 34 LEU H 1 66 PHE QB . . 5.030 3.615 3.372 4.556 . 0 0 "[ . 1 . 2]" 1
498 1 34 LEU H 1 66 PHE QD . . 4.780 3.998 3.493 4.607 . 0 0 "[ . 1 . 2]" 1
499 1 34 LEU HA 1 34 LEU MD1 . . 2.950 2.384 2.100 2.619 . 0 0 "[ . 1 . 2]" 1
500 1 34 LEU HA 1 34 LEU MD2 . . 4.460 3.986 3.945 4.018 . 0 0 "[ . 1 . 2]" 1
501 1 34 LEU HA 1 34 LEU HG . . 4.120 3.161 3.018 3.336 . 0 0 "[ . 1 . 2]" 1
502 1 34 LEU HA 1 35 SER H . . 2.880 2.192 2.139 2.324 . 0 0 "[ . 1 . 2]" 1
503 1 34 LEU QB 1 34 LEU MD2 . . 3.120 2.013 1.946 2.098 . 0 0 "[ . 1 . 2]" 1
504 1 34 LEU QB 1 35 SER H . . 4.070 3.639 3.393 3.826 . 0 0 "[ . 1 . 2]" 1
505 1 34 LEU QB 1 36 PHE QD . . 5.120 4.113 3.751 4.551 . 0 0 "[ . 1 . 2]" 1
506 1 34 LEU QB 1 64 GLY QA . . 4.210 2.296 1.955 2.849 . 0 0 "[ . 1 . 2]" 1
507 1 34 LEU QB 1 66 PHE QB . . 4.430 3.179 2.849 3.523 . 0 0 "[ . 1 . 2]" 1
508 1 34 LEU QB 1 66 PHE QD . . 3.570 2.376 2.019 2.818 . 0 0 "[ . 1 . 2]" 1
509 1 34 LEU HB2 1 35 SER H . . 4.650 3.991 3.716 4.190 . 0 0 "[ . 1 . 2]" 1
510 1 34 LEU HB2 1 64 GLY H . . 4.530 3.227 2.402 3.998 . 0 0 "[ . 1 . 2]" 1
511 1 34 LEU HB3 1 35 SER H . . 4.650 4.198 3.922 4.420 . 0 0 "[ . 1 . 2]" 1
512 1 34 LEU HB3 1 64 GLY H . . 4.530 4.013 3.359 4.531 0.001 16 0 "[ . 1 . 2]" 1
513 1 34 LEU MD1 1 35 SER H . . 3.320 2.489 1.876 3.177 . 0 0 "[ . 1 . 2]" 1
514 1 34 LEU MD1 1 35 SER QB . . 5.340 4.213 3.605 4.805 . 0 0 "[ . 1 . 2]" 1
515 1 34 LEU MD1 1 36 PHE HB3 . . 4.670 4.261 3.657 4.591 . 0 0 "[ . 1 . 2]" 1
516 1 34 LEU MD1 1 36 PHE QD . . 4.350 4.173 3.365 4.351 0.001 7 0 "[ . 1 . 2]" 1
517 1 34 LEU MD1 1 56 ARG HA . . 4.140 3.605 3.077 4.134 . 0 0 "[ . 1 . 2]" 1
518 1 34 LEU MD1 1 57 ILE H . . 3.890 3.573 3.100 3.900 0.010 16 0 "[ . 1 . 2]" 1
519 1 34 LEU MD1 1 57 ILE HB . . 4.170 3.646 3.188 4.124 . 0 0 "[ . 1 . 2]" 1
520 1 34 LEU MD1 1 57 ILE HG12 . . 3.880 2.216 1.981 3.085 . 0 0 "[ . 1 . 2]" 1
521 1 34 LEU MD1 1 57 ILE HG13 . . 3.910 2.521 1.999 3.629 . 0 0 "[ . 1 . 2]" 1
522 1 34 LEU MD1 1 62 ARG HA . . 4.620 3.732 2.700 4.545 . 0 0 "[ . 1 . 2]" 1
523 1 34 LEU MD1 1 62 ARG HB2 . . 4.120 2.798 2.252 3.392 . 0 0 "[ . 1 . 2]" 1
524 1 34 LEU MD1 1 62 ARG QB . . 3.540 2.178 1.764 3.176 . 0 0 "[ . 1 . 2]" 1
525 1 34 LEU MD1 1 62 ARG HB3 . . 4.120 2.441 1.783 4.187 0.067 16 0 "[ . 1 . 2]" 1
526 1 34 LEU MD1 1 62 ARG QD . . 4.460 3.317 2.701 4.437 . 0 0 "[ . 1 . 2]" 1
527 1 34 LEU MD1 1 63 GLN H . . 3.750 2.972 2.134 3.635 . 0 0 "[ . 1 . 2]" 1
528 1 34 LEU MD1 1 63 GLN HA . . 3.320 2.713 2.066 3.156 . 0 0 "[ . 1 . 2]" 1
529 1 34 LEU MD1 1 63 GLN QG . . 4.830 4.501 4.059 4.829 . 0 0 "[ . 1 . 2]" 1
530 1 34 LEU MD1 1 64 GLY H . . 3.870 3.334 2.884 3.757 . 0 0 "[ . 1 . 2]" 1
531 1 34 LEU MD1 1 64 GLY QA . . 4.570 3.657 3.301 4.062 . 0 0 "[ . 1 . 2]" 1
532 1 34 LEU MD1 1 66 PHE QD . . 4.700 4.504 4.027 4.688 . 0 0 "[ . 1 . 2]" 1
533 1 34 LEU MD2 1 35 SER H . . 5.090 4.343 3.871 4.719 . 0 0 "[ . 1 . 2]" 1
534 1 34 LEU MD2 1 36 PHE HB3 . . 4.510 3.723 3.278 4.184 . 0 0 "[ . 1 . 2]" 1
535 1 34 LEU MD2 1 36 PHE QD . . 3.580 2.839 2.478 3.172 . 0 0 "[ . 1 . 2]" 1
536 1 34 LEU MD2 1 36 PHE QE . . 4.450 3.922 3.258 4.427 . 0 0 "[ . 1 . 2]" 1
537 1 34 LEU MD2 1 42 ILE MD . . 3.850 3.242 2.903 3.635 . 0 0 "[ . 1 . 2]" 1
538 1 34 LEU MD2 1 42 ILE MG . . 3.360 2.772 2.383 3.168 . 0 0 "[ . 1 . 2]" 1
539 1 34 LEU MD2 1 55 GLY H . . 4.170 3.294 2.745 3.803 . 0 0 "[ . 1 . 2]" 1
540 1 34 LEU MD2 1 55 GLY QA . . 4.380 3.693 3.063 4.042 . 0 0 "[ . 1 . 2]" 1
541 1 34 LEU MD2 1 56 ARG HA . . 3.880 2.947 2.565 3.252 . 0 0 "[ . 1 . 2]" 1
542 1 34 LEU MD2 1 57 ILE H . . 4.620 3.768 3.212 4.227 . 0 0 "[ . 1 . 2]" 1
543 1 34 LEU MD2 1 57 ILE HG12 . . 3.850 2.611 2.135 3.003 . 0 0 "[ . 1 . 2]" 1
544 1 34 LEU MD2 1 57 ILE HG13 . . 4.460 3.625 3.173 4.145 . 0 0 "[ . 1 . 2]" 1
545 1 34 LEU MD2 1 63 GLN HA . . 4.000 2.847 2.076 3.329 . 0 0 "[ . 1 . 2]" 1
546 1 34 LEU MD2 1 63 GLN QG . . 4.610 4.204 3.506 4.563 . 0 0 "[ . 1 . 2]" 1
547 1 34 LEU MD2 1 64 GLY H . . 3.790 2.553 1.938 3.086 . 0 0 "[ . 1 . 2]" 1
548 1 34 LEU MD2 1 64 GLY QA . . 4.590 3.549 3.155 3.997 . 0 0 "[ . 1 . 2]" 1
549 1 34 LEU MD2 1 66 PHE QB . . 4.590 3.663 3.214 3.963 . 0 0 "[ . 1 . 2]" 1
550 1 34 LEU MD2 1 66 PHE QD . . 3.530 2.107 1.950 2.438 . 0 0 "[ . 1 . 2]" 1
551 1 34 LEU MD2 1 66 PHE QE . . 3.700 2.318 1.866 2.812 . 0 0 "[ . 1 . 2]" 1
552 1 34 LEU HG 1 35 SER H . . 3.970 2.868 2.293 3.272 . 0 0 "[ . 1 . 2]" 1
553 1 34 LEU HG 1 35 SER HA . . 4.090 3.841 3.555 4.077 . 0 0 "[ . 1 . 2]" 1
554 1 34 LEU HG 1 36 PHE QD . . 3.470 2.830 2.022 3.088 . 0 0 "[ . 1 . 2]" 1
555 1 34 LEU HG 1 36 PHE QE . . 4.970 4.408 3.423 4.740 . 0 0 "[ . 1 . 2]" 1
556 1 34 LEU HG 1 42 ILE MG . . 5.500 4.858 4.364 5.310 . 0 0 "[ . 1 . 2]" 1
557 1 34 LEU HG 1 66 PHE QD . . 4.440 3.746 2.711 4.367 . 0 0 "[ . 1 . 2]" 1
558 1 35 SER H 1 35 SER HB2 . . 3.850 2.917 2.339 3.722 . 0 0 "[ . 1 . 2]" 1
559 1 35 SER H 1 35 SER QB . . 3.150 2.570 2.311 2.884 . 0 0 "[ . 1 . 2]" 1
560 1 35 SER H 1 35 SER HB3 . . 3.850 3.362 2.509 3.767 . 0 0 "[ . 1 . 2]" 1
561 1 35 SER H 1 36 PHE H . . 4.780 4.536 4.480 4.583 . 0 0 "[ . 1 . 2]" 1
562 1 35 SER HA 1 36 PHE H . . 2.880 2.342 2.203 2.506 . 0 0 "[ . 1 . 2]" 1
563 1 35 SER QB 1 36 PHE H . . 3.350 2.622 2.187 3.350 . 0 0 "[ . 1 . 2]" 1
564 1 35 SER HB2 1 36 PHE H . . 3.950 3.385 2.206 3.925 . 0 0 "[ . 1 . 2]" 1
565 1 35 SER HB3 1 36 PHE H . . 3.950 3.096 2.240 3.920 . 0 0 "[ . 1 . 2]" 1
566 1 36 PHE H 1 36 PHE QD . . 4.050 3.354 3.245 3.573 . 0 0 "[ . 1 . 2]" 1
567 1 36 PHE H 1 37 ARG H . . 4.580 4.318 4.151 4.389 . 0 0 "[ . 1 . 2]" 1
568 1 36 PHE HA 1 36 PHE QD . . 4.290 3.702 3.672 3.721 . 0 0 "[ . 1 . 2]" 1
569 1 36 PHE HA 1 37 ARG H . . 3.180 2.315 2.205 2.412 . 0 0 "[ . 1 . 2]" 1
570 1 36 PHE HA 1 37 ARG QG . . 4.720 4.099 3.682 4.663 . 0 0 "[ . 1 . 2]" 1
571 1 36 PHE HA 1 42 ILE MD . . 4.840 4.654 4.276 4.832 . 0 0 "[ . 1 . 2]" 1
572 1 36 PHE HB2 1 37 ARG H . . 3.190 2.677 2.432 3.011 . 0 0 "[ . 1 . 2]" 1
573 1 36 PHE HB2 1 40 GLU HB2 . . 4.180 3.039 2.768 3.384 . 0 0 "[ . 1 . 2]" 1
574 1 36 PHE HB2 1 40 GLU HB3 . . 4.520 3.891 3.466 4.303 . 0 0 "[ . 1 . 2]" 1
575 1 36 PHE HB2 1 40 GLU QG . . 5.340 3.844 3.316 4.398 . 0 0 "[ . 1 . 2]" 1
576 1 36 PHE HB2 1 42 ILE MD . . 4.450 2.753 2.491 3.004 . 0 0 "[ . 1 . 2]" 1
577 1 36 PHE HB3 1 42 ILE MD . . 4.730 2.786 2.347 3.122 . 0 0 "[ . 1 . 2]" 1
578 1 36 PHE HB3 1 57 ILE MD . . 3.330 2.261 2.011 2.636 . 0 0 "[ . 1 . 2]" 1
579 1 36 PHE QD 1 37 ARG H . . 4.140 3.790 3.489 3.985 . 0 0 "[ . 1 . 2]" 1
580 1 36 PHE QD 1 37 ARG HA . . 4.880 3.823 3.365 4.157 . 0 0 "[ . 1 . 2]" 1
581 1 36 PHE QD 1 38 LYS H . . 4.910 4.314 4.041 4.780 . 0 0 "[ . 1 . 2]" 1
582 1 36 PHE QD 1 40 GLU HB2 . . 5.500 4.409 3.934 4.808 . 0 0 "[ . 1 . 2]" 1
583 1 36 PHE QD 1 42 ILE MD . . 3.590 2.450 2.004 2.784 . 0 0 "[ . 1 . 2]" 1
584 1 36 PHE QD 1 57 ILE MD . . 3.790 3.386 2.804 3.685 . 0 0 "[ . 1 . 2]" 1
585 1 36 PHE QD 1 66 PHE QD . . 4.300 3.761 3.239 4.195 . 0 0 "[ . 1 . 2]" 1
586 1 36 PHE QD 1 71 VAL MG1 . . 4.710 3.602 3.352 3.853 . 0 0 "[ . 1 . 2]" 1
587 1 36 PHE QE 1 42 ILE MD . . 3.800 3.208 2.872 3.580 . 0 0 "[ . 1 . 2]" 1
588 1 36 PHE QE 1 66 PHE HB2 . . 3.970 2.166 1.999 2.387 . 0 0 "[ . 1 . 2]" 1
589 1 36 PHE QE 1 66 PHE QB . . 3.490 1.985 1.885 2.256 . 0 0 "[ . 1 . 2]" 1
590 1 36 PHE QE 1 66 PHE HB3 . . 3.970 2.347 2.079 2.778 . 0 0 "[ . 1 . 2]" 1
591 1 36 PHE QE 1 66 PHE QD . . 3.690 2.894 2.547 3.165 . 0 0 "[ . 1 . 2]" 1
592 1 36 PHE QE 1 67 PRO HD2 . . 4.230 3.702 3.430 4.064 . 0 0 "[ . 1 . 2]" 1
593 1 36 PHE QE 1 70 TYR HA . . 5.500 5.117 4.645 5.359 . 0 0 "[ . 1 . 2]" 1
594 1 36 PHE QE 1 70 TYR HB2 . . 4.120 4.015 3.560 4.124 0.004 16 0 "[ . 1 . 2]" 1
595 1 36 PHE QE 1 70 TYR HB3 . . 3.940 3.074 2.721 3.348 . 0 0 "[ . 1 . 2]" 1
596 1 36 PHE QE 1 71 VAL MG1 . . 3.660 2.583 2.268 2.809 . 0 0 "[ . 1 . 2]" 1
597 1 36 PHE HZ 1 66 PHE QB . . 4.520 2.989 2.620 3.269 . 0 0 "[ . 1 . 2]" 1
598 1 36 PHE HZ 1 66 PHE QD . . 4.000 3.687 3.338 3.989 . 0 0 "[ . 1 . 2]" 1
599 1 36 PHE HZ 1 66 PHE QE . . 5.500 5.190 4.980 5.452 . 0 0 "[ . 1 . 2]" 1
600 1 36 PHE HZ 1 67 PRO QG . . 5.350 3.861 3.631 4.172 . 0 0 "[ . 1 . 2]" 1
601 1 36 PHE HZ 1 70 TYR HA . . 5.390 5.126 4.756 5.389 . 0 0 "[ . 1 . 2]" 1
602 1 36 PHE HZ 1 70 TYR HB2 . . 3.870 2.861 2.332 3.120 . 0 0 "[ . 1 . 2]" 1
603 1 36 PHE HZ 1 70 TYR HB3 . . 3.910 2.748 2.481 3.089 . 0 0 "[ . 1 . 2]" 1
604 1 36 PHE HZ 1 70 TYR QD . . 4.540 3.953 3.616 4.392 . 0 0 "[ . 1 . 2]" 1
605 1 36 PHE HZ 1 71 VAL MG1 . . 3.510 2.206 1.874 2.602 . 0 0 "[ . 1 . 2]" 1
606 1 37 ARG H 1 37 ARG HB2 . . 3.700 2.361 2.248 2.508 . 0 0 "[ . 1 . 2]" 1
607 1 37 ARG H 1 37 ARG QB . . 3.060 2.331 2.223 2.470 . 0 0 "[ . 1 . 2]" 1
608 1 37 ARG H 1 37 ARG HB3 . . 3.700 3.595 3.515 3.695 . 0 0 "[ . 1 . 2]" 1
609 1 37 ARG H 1 37 ARG QD . . 4.740 3.999 2.267 4.706 . 0 0 "[ . 1 . 2]" 1
610 1 37 ARG H 1 37 ARG QG . . 3.640 3.109 2.588 3.619 . 0 0 "[ . 1 . 2]" 1
611 1 37 ARG H 1 38 LYS H . . 4.900 4.495 4.395 4.581 . 0 0 "[ . 1 . 2]" 1
612 1 37 ARG H 1 40 GLU H . . 4.790 4.439 4.137 4.651 . 0 0 "[ . 1 . 2]" 1
613 1 37 ARG H 1 40 GLU HB2 . . 3.980 3.156 2.719 3.497 . 0 0 "[ . 1 . 2]" 1
614 1 37 ARG H 1 40 GLU HG2 . . 4.410 3.687 2.267 4.313 . 0 0 "[ . 1 . 2]" 1
615 1 37 ARG H 1 40 GLU QG . . 3.690 2.497 2.137 3.035 . 0 0 "[ . 1 . 2]" 1
616 1 37 ARG H 1 40 GLU HG3 . . 4.410 2.625 2.163 4.028 . 0 0 "[ . 1 . 2]" 1
617 1 37 ARG H 1 57 ILE MD . . 4.590 4.337 3.950 4.576 . 0 0 "[ . 1 . 2]" 1
618 1 37 ARG HA 1 37 ARG QG . . 3.540 2.322 2.218 2.595 . 0 0 "[ . 1 . 2]" 1
619 1 37 ARG HA 1 38 LYS H . . 3.130 2.210 2.141 2.452 . 0 0 "[ . 1 . 2]" 1
620 1 37 ARG QB 1 37 ARG QD . . 3.220 2.201 2.067 2.460 . 0 0 "[ . 1 . 2]" 1
621 1 37 ARG QB 1 38 LYS H . . 3.650 2.993 2.332 3.310 . 0 0 "[ . 1 . 2]" 1
622 1 37 ARG QB 1 40 GLU H . . 4.420 3.913 3.675 4.061 . 0 0 "[ . 1 . 2]" 1
623 1 37 ARG QB 1 40 GLU QG . . 3.330 2.494 1.994 2.921 . 0 0 "[ . 1 . 2]" 1
624 1 37 ARG HB2 1 37 ARG QD . . 3.700 2.676 2.172 3.426 . 0 0 "[ . 1 . 2]" 1
625 1 37 ARG HB3 1 37 ARG QD . . 3.700 2.553 2.125 3.432 . 0 0 "[ . 1 . 2]" 1
626 1 37 ARG QD 1 38 LYS H . . 5.070 4.529 2.716 5.078 0.008 6 0 "[ . 1 . 2]" 1
627 1 37 ARG QG 1 38 LYS H . . 4.240 3.894 3.396 4.239 . 0 0 "[ . 1 . 2]" 1
628 1 37 ARG QG 1 40 GLU QG . . 4.720 4.111 3.710 4.629 . 0 0 "[ . 1 . 2]" 1
629 1 38 LYS H 1 38 LYS QB . . 2.990 2.257 2.235 2.282 . 0 0 "[ . 1 . 2]" 1
630 1 38 LYS H 1 38 LYS QD . . 4.600 4.405 4.311 4.537 . 0 0 "[ . 1 . 2]" 1
631 1 38 LYS H 1 38 LYS HG2 . . 5.460 4.461 4.392 4.543 . 0 0 "[ . 1 . 2]" 1
632 1 38 LYS H 1 38 LYS HG3 . . 4.650 4.461 4.351 4.566 . 0 0 "[ . 1 . 2]" 1
633 1 38 LYS HA 1 38 LYS QD . . 4.340 4.070 3.518 4.229 . 0 0 "[ . 1 . 2]" 1
634 1 38 LYS HA 1 38 LYS HG2 . . 3.880 2.978 2.419 3.196 . 0 0 "[ . 1 . 2]" 1
635 1 38 LYS HA 1 38 LYS HG3 . . 3.490 2.776 2.510 3.537 0.047 18 0 "[ . 1 . 2]" 1
636 1 38 LYS HA 1 39 GLY H . . 3.000 2.182 2.145 2.334 . 0 0 "[ . 1 . 2]" 1
637 1 38 LYS HA 1 39 GLY HA3 . . 4.490 4.417 4.394 4.506 0.016 18 0 "[ . 1 . 2]" 1
638 1 38 LYS HA 1 40 GLU H . . 4.140 3.763 3.548 4.066 . 0 0 "[ . 1 . 2]" 1
639 1 38 LYS QB 1 38 LYS QE . . 4.580 3.418 2.291 3.655 . 0 0 "[ . 1 . 2]" 1
640 1 38 LYS QB 1 39 GLY H . . 3.950 3.696 3.396 3.824 . 0 0 "[ . 1 . 2]" 1
641 1 38 LYS QD 1 39 GLY H . . 5.030 4.558 2.492 4.920 . 0 0 "[ . 1 . 2]" 1
642 1 38 LYS QE 1 38 LYS HG2 . . 3.500 2.726 2.324 3.265 . 0 0 "[ . 1 . 2]" 1
643 1 38 LYS QE 1 38 LYS HG3 . . 3.490 2.260 2.094 2.453 . 0 0 "[ . 1 . 2]" 1
644 1 38 LYS HE2 1 38 LYS HG2 . . 4.160 2.889 2.367 4.097 . 0 0 "[ . 1 . 2]" 1
645 1 38 LYS HE2 1 38 LYS HG3 . . 4.040 2.650 2.136 3.430 . 0 0 "[ . 1 . 2]" 1
646 1 38 LYS HE3 1 38 LYS HG2 . . 4.160 3.508 2.966 3.939 . 0 0 "[ . 1 . 2]" 1
647 1 38 LYS HE3 1 38 LYS HG3 . . 4.040 2.863 2.113 3.612 . 0 0 "[ . 1 . 2]" 1
648 1 38 LYS HG2 1 39 GLY H . . 3.990 2.789 1.933 3.223 . 0 0 "[ . 1 . 2]" 1
649 1 38 LYS HG2 1 39 GLY HA2 . . 4.560 3.596 3.270 3.815 . 0 0 "[ . 1 . 2]" 1
650 1 38 LYS HG2 1 39 GLY HA3 . . 4.740 3.660 3.287 4.252 . 0 0 "[ . 1 . 2]" 1
651 1 38 LYS HG3 1 39 GLY H . . 3.610 3.279 2.833 3.620 0.010 18 0 "[ . 1 . 2]" 1
652 1 39 GLY H 1 40 GLU H . . 3.540 2.973 2.651 3.290 . 0 0 "[ . 1 . 2]" 1
653 1 40 GLU H 1 40 GLU HB2 . . 3.230 2.361 2.231 2.525 . 0 0 "[ . 1 . 2]" 1
654 1 40 GLU H 1 40 GLU HB3 . . 3.610 3.569 3.522 3.606 . 0 0 "[ . 1 . 2]" 1
655 1 40 GLU H 1 40 GLU HG2 . . 3.670 2.709 2.174 3.598 . 0 0 "[ . 1 . 2]" 1
656 1 40 GLU H 1 40 GLU HG3 . . 3.670 3.449 2.421 3.670 0.000 5 0 "[ . 1 . 2]" 1
657 1 40 GLU H 1 41 HIS H . . 4.690 4.642 4.627 4.649 . 0 0 "[ . 1 . 2]" 1
658 1 40 GLU HA 1 40 GLU HG2 . . 3.800 2.649 2.204 3.704 . 0 0 "[ . 1 . 2]" 1
659 1 40 GLU HA 1 40 GLU QG . . 3.310 2.536 2.165 2.770 . 0 0 "[ . 1 . 2]" 1
660 1 40 GLU HA 1 40 GLU HG3 . . 3.800 3.542 2.611 3.735 . 0 0 "[ . 1 . 2]" 1
661 1 40 GLU HA 1 41 HIS H . . 2.910 2.301 2.233 2.398 . 0 0 "[ . 1 . 2]" 1
662 1 40 GLU HA 1 41 HIS QB . . 4.310 4.173 4.123 4.293 . 0 0 "[ . 1 . 2]" 1
663 1 40 GLU HA 1 41 HIS HD2 . . 4.390 3.633 3.183 4.155 . 0 0 "[ . 1 . 2]" 1
664 1 40 GLU HB2 1 41 HIS H . . 4.100 3.979 3.709 4.091 . 0 0 "[ . 1 . 2]" 1
665 1 40 GLU HB2 1 42 ILE MD . . 4.320 3.969 3.458 4.306 . 0 0 "[ . 1 . 2]" 1
666 1 40 GLU HB2 1 57 ILE MD . . 4.410 4.190 3.494 4.411 0.001 8 0 "[ . 1 . 2]" 1
667 1 40 GLU HB3 1 41 HIS H . . 3.710 2.721 2.436 2.918 . 0 0 "[ . 1 . 2]" 1
668 1 40 GLU HB3 1 42 ILE MD . . 4.670 4.284 3.951 4.587 . 0 0 "[ . 1 . 2]" 1
669 1 40 GLU HB3 1 57 ILE MD . . 4.030 3.498 2.655 3.952 . 0 0 "[ . 1 . 2]" 1
670 1 40 GLU HB3 1 57 ILE MG . . 4.320 4.027 3.372 4.320 . 0 0 "[ . 1 . 2]" 1
671 1 40 GLU QG 1 41 HIS H . . 4.320 4.071 3.606 4.286 . 0 0 "[ . 1 . 2]" 1
672 1 40 GLU QG 1 57 ILE MD . . 5.340 4.110 3.453 4.688 . 0 0 "[ . 1 . 2]" 1
673 1 40 GLU HG2 1 41 HIS H . . 4.930 4.441 3.710 4.925 . 0 0 "[ . 1 . 2]" 1
674 1 40 GLU HG3 1 41 HIS H . . 4.930 4.828 3.849 4.931 0.001 3 0 "[ . 1 . 2]" 1
675 1 41 HIS H 1 41 HIS QB . . 3.110 2.316 2.257 2.384 . 0 0 "[ . 1 . 2]" 1
676 1 41 HIS H 1 41 HIS HD2 . . 3.920 3.342 2.950 3.676 . 0 0 "[ . 1 . 2]" 1
677 1 41 HIS H 1 57 ILE MD . . 5.500 4.977 4.245 5.434 . 0 0 "[ . 1 . 2]" 1
678 1 41 HIS QB 1 42 ILE H . . 3.780 3.575 3.061 3.755 . 0 0 "[ . 1 . 2]" 1
679 1 41 HIS QB 1 42 ILE HA . . 4.550 4.363 4.147 4.475 . 0 0 "[ . 1 . 2]" 1
680 1 42 ILE H 1 42 ILE HB . . 3.590 2.598 2.488 2.711 . 0 0 "[ . 1 . 2]" 1
681 1 42 ILE H 1 42 ILE MD . . 3.750 3.379 3.179 3.639 . 0 0 "[ . 1 . 2]" 1
682 1 42 ILE H 1 42 ILE HG12 . . 4.270 3.827 3.506 4.182 . 0 0 "[ . 1 . 2]" 1
683 1 42 ILE H 1 42 ILE QG . . 3.480 2.365 2.059 2.778 . 0 0 "[ . 1 . 2]" 1
684 1 42 ILE H 1 42 ILE HG13 . . 4.270 2.388 2.073 2.820 . 0 0 "[ . 1 . 2]" 1
685 1 42 ILE H 1 42 ILE MG . . 4.530 3.815 3.776 3.872 . 0 0 "[ . 1 . 2]" 1
686 1 42 ILE HA 1 42 ILE MD . . 3.970 3.914 3.877 3.957 . 0 0 "[ . 1 . 2]" 1
687 1 42 ILE HA 1 42 ILE HG12 . . 3.990 2.828 2.713 2.902 . 0 0 "[ . 1 . 2]" 1
688 1 42 ILE HA 1 42 ILE QG . . 3.480 2.510 2.445 2.595 . 0 0 "[ . 1 . 2]" 1
689 1 42 ILE HA 1 42 ILE HG13 . . 3.990 2.813 2.694 3.009 . 0 0 "[ . 1 . 2]" 1
690 1 42 ILE HA 1 42 ILE MG . . 3.250 2.333 2.220 2.439 . 0 0 "[ . 1 . 2]" 1
691 1 42 ILE HA 1 43 CYS H . . 3.090 2.154 2.139 2.202 . 0 0 "[ . 1 . 2]" 1
692 1 42 ILE HA 1 43 CYS HB2 . . 4.400 4.281 4.201 4.381 . 0 0 "[ . 1 . 2]" 1
693 1 42 ILE HA 1 43 CYS HB3 . . 5.100 4.933 4.800 4.999 . 0 0 "[ . 1 . 2]" 1
694 1 42 ILE HA 1 57 ILE HA . . 4.340 3.773 3.217 4.182 . 0 0 "[ . 1 . 2]" 1
695 1 42 ILE HA 1 57 ILE MD . . 3.790 3.314 2.571 3.717 . 0 0 "[ . 1 . 2]" 1
696 1 42 ILE HA 1 57 ILE MG . . 5.500 4.983 4.581 5.386 . 0 0 "[ . 1 . 2]" 1
697 1 42 ILE HB 1 42 ILE MD . . 3.090 2.171 2.098 2.292 . 0 0 "[ . 1 . 2]" 1
698 1 42 ILE HB 1 43 CYS H . . 4.740 4.136 3.977 4.277 . 0 0 "[ . 1 . 2]" 1
699 1 42 ILE MD 1 42 ILE MG . . 2.730 2.381 2.239 2.513 . 0 0 "[ . 1 . 2]" 1
700 1 42 ILE MD 1 57 ILE MD . . 3.530 2.977 2.626 3.353 . 0 0 "[ . 1 . 2]" 1
701 1 42 ILE MD 1 66 PHE QD . . 4.740 3.788 3.584 4.197 . 0 0 "[ . 1 . 2]" 1
702 1 42 ILE MD 1 66 PHE QE . . 4.000 3.183 2.665 3.532 . 0 0 "[ . 1 . 2]" 1
703 1 42 ILE MD 1 66 PHE HZ . . 4.890 3.341 2.880 3.794 . 0 0 "[ . 1 . 2]" 1
704 1 42 ILE MD 1 71 VAL HB . . 4.080 3.610 3.238 3.879 . 0 0 "[ . 1 . 2]" 1
705 1 42 ILE MD 1 71 VAL MG1 . . 2.950 2.402 1.930 2.737 . 0 0 "[ . 1 . 2]" 1
706 1 42 ILE MD 1 71 VAL MG2 . . 4.440 3.777 3.173 4.186 . 0 0 "[ . 1 . 2]" 1
707 1 42 ILE QG 1 42 ILE MG . . 3.040 2.130 2.040 2.218 . 0 0 "[ . 1 . 2]" 1
708 1 42 ILE QG 1 43 CYS H . . 4.840 4.219 4.075 4.348 . 0 0 "[ . 1 . 2]" 1
709 1 42 ILE QG 1 57 ILE MD . . 3.380 2.038 1.812 2.436 . 0 0 "[ . 1 . 2]" 1
710 1 42 ILE HG12 1 42 ILE MG . . 3.600 2.167 2.066 2.263 . 0 0 "[ . 1 . 2]" 1
711 1 42 ILE HG13 1 42 ILE MG . . 3.600 3.151 3.128 3.183 . 0 0 "[ . 1 . 2]" 1
712 1 42 ILE MG 1 43 CYS H . . 3.390 2.532 2.113 2.845 . 0 0 "[ . 1 . 2]" 1
713 1 42 ILE MG 1 43 CYS HB2 . . 4.690 4.545 4.328 4.691 0.001 17 0 "[ . 1 . 2]" 1
714 1 42 ILE MG 1 43 CYS HB3 . . 4.760 4.311 4.128 4.473 . 0 0 "[ . 1 . 2]" 1
715 1 42 ILE MG 1 44 LEU HA . . 4.200 3.824 3.410 4.075 . 0 0 "[ . 1 . 2]" 1
716 1 42 ILE MG 1 55 GLY HA2 . . 3.810 3.485 3.145 3.807 . 0 0 "[ . 1 . 2]" 1
717 1 42 ILE MG 1 55 GLY QA . . 3.250 2.194 1.954 2.487 . 0 0 "[ . 1 . 2]" 1
718 1 42 ILE MG 1 55 GLY HA3 . . 3.810 2.218 1.966 2.521 . 0 0 "[ . 1 . 2]" 1
719 1 42 ILE MG 1 56 ARG H . . 3.530 2.362 1.854 2.951 . 0 0 "[ . 1 . 2]" 1
720 1 42 ILE MG 1 56 ARG QB . . 5.340 4.560 4.276 5.002 . 0 0 "[ . 1 . 2]" 1
721 1 42 ILE MG 1 56 ARG QG . . 4.450 3.988 3.446 4.334 . 0 0 "[ . 1 . 2]" 1
722 1 42 ILE MG 1 57 ILE HA . . 4.530 3.918 3.324 4.462 . 0 0 "[ . 1 . 2]" 1
723 1 42 ILE MG 1 57 ILE MD . . 3.610 2.677 2.129 3.291 . 0 0 "[ . 1 . 2]" 1
724 1 42 ILE MG 1 57 ILE HG12 . . 4.860 4.075 3.524 4.638 . 0 0 "[ . 1 . 2]" 1
725 1 42 ILE MG 1 66 PHE QD . . 4.460 3.953 3.631 4.452 . 0 0 "[ . 1 . 2]" 1
726 1 42 ILE MG 1 66 PHE QE . . 3.380 2.338 1.991 2.886 . 0 0 "[ . 1 . 2]" 1
727 1 42 ILE MG 1 66 PHE HZ . . 3.490 2.039 1.789 2.392 . 0 0 "[ . 1 . 2]" 1
728 1 43 CYS H 1 43 CYS HB2 . . 3.580 2.406 2.303 2.658 . 0 0 "[ . 1 . 2]" 1
729 1 43 CYS H 1 43 CYS HB3 . . 3.450 2.793 2.674 2.843 . 0 0 "[ . 1 . 2]" 1
730 1 43 CYS H 1 56 ARG H . . 4.100 3.082 2.396 3.454 . 0 0 "[ . 1 . 2]" 1
731 1 43 CYS H 1 56 ARG QG . . 4.550 3.428 2.819 3.747 . 0 0 "[ . 1 . 2]" 1
732 1 43 CYS H 1 57 ILE MD . . 5.500 4.568 3.773 4.972 . 0 0 "[ . 1 . 2]" 1
733 1 43 CYS HA 1 44 LEU H . . 3.110 2.157 2.139 2.277 . 0 0 "[ . 1 . 2]" 1
734 1 43 CYS HB2 1 56 ARG H . . 4.800 4.594 4.248 4.802 0.002 9 0 "[ . 1 . 2]" 1
735 1 43 CYS HB2 1 56 ARG QG . . 3.990 3.585 3.126 3.976 . 0 0 "[ . 1 . 2]" 1
736 1 43 CYS HB3 1 44 LEU H . . 4.440 4.076 3.678 4.311 . 0 0 "[ . 1 . 2]" 1
737 1 43 CYS HB3 1 56 ARG H . . 4.260 3.665 3.136 4.190 . 0 0 "[ . 1 . 2]" 1
738 1 43 CYS HB3 1 56 ARG QG . . 3.850 2.687 2.114 3.156 . 0 0 "[ . 1 . 2]" 1
739 1 44 LEU H 1 44 LEU HB2 . . 3.860 2.531 2.379 2.666 . 0 0 "[ . 1 . 2]" 1
740 1 44 LEU H 1 44 LEU HB3 . . 4.060 3.606 3.582 3.664 . 0 0 "[ . 1 . 2]" 1
741 1 44 LEU H 1 44 LEU MD1 . . 4.310 3.572 3.170 3.936 . 0 0 "[ . 1 . 2]" 1
742 1 44 LEU H 1 44 LEU MD2 . . 4.070 3.407 3.150 3.781 . 0 0 "[ . 1 . 2]" 1
743 1 44 LEU H 1 44 LEU HG . . 3.590 2.275 1.942 2.933 . 0 0 "[ . 1 . 2]" 1
744 1 44 LEU HA 1 44 LEU MD2 . . 3.290 2.064 1.991 2.360 . 0 0 "[ . 1 . 2]" 1
745 1 44 LEU HA 1 45 ILE H . . 3.490 2.194 2.139 2.286 . 0 0 "[ . 1 . 2]" 1
746 1 44 LEU HA 1 45 ILE MD . . 5.010 4.809 4.482 4.967 . 0 0 "[ . 1 . 2]" 1
747 1 44 LEU HA 1 55 GLY HA2 . . 4.490 3.018 2.547 3.460 . 0 0 "[ . 1 . 2]" 1
748 1 44 LEU HA 1 55 GLY HA3 . . 4.490 3.290 2.874 3.715 . 0 0 "[ . 1 . 2]" 1
749 1 44 LEU HB2 1 77 PRO QB . . 4.100 3.204 2.422 3.848 . 0 0 "[ . 1 . 2]" 1
750 1 44 LEU HB2 1 77 PRO HD2 . . 5.500 5.221 4.819 5.490 . 0 0 "[ . 1 . 2]" 1
751 1 44 LEU HB2 1 77 PRO HD3 . . 4.340 3.513 3.103 3.906 . 0 0 "[ . 1 . 2]" 1
752 1 44 LEU HB3 1 44 LEU MD1 . . 3.400 2.424 2.325 2.561 . 0 0 "[ . 1 . 2]" 1
753 1 44 LEU HB3 1 44 LEU MD2 . . 3.410 2.348 2.197 2.414 . 0 0 "[ . 1 . 2]" 1
754 1 44 LEU HB3 1 45 ILE H . . 4.520 3.804 3.450 4.064 . 0 0 "[ . 1 . 2]" 1
755 1 44 LEU HB3 1 53 TYR QD . . 4.720 3.563 3.248 4.002 . 0 0 "[ . 1 . 2]" 1
756 1 44 LEU HB3 1 77 PRO HD2 . . 5.450 4.869 4.281 5.409 . 0 0 "[ . 1 . 2]" 1
757 1 44 LEU HB3 1 77 PRO HD3 . . 4.420 3.383 2.895 3.844 . 0 0 "[ . 1 . 2]" 1
758 1 44 LEU HB3 1 77 PRO QG . . 4.180 3.074 2.692 3.769 . 0 0 "[ . 1 . 2]" 1
759 1 44 LEU MD1 1 53 TYR QD . . 3.900 3.444 2.863 3.900 . 0 0 "[ . 1 . 2]" 1
760 1 44 LEU MD1 1 53 TYR QE . . 3.860 3.452 3.166 3.860 . 0 0 "[ . 1 . 2]" 1
761 1 44 LEU MD1 1 73 VAL HA . . 4.240 3.536 3.142 4.133 . 0 0 "[ . 1 . 2]" 1
762 1 44 LEU MD1 1 73 VAL QG . . 3.550 2.644 1.835 3.284 . 0 0 "[ . 1 . 2]" 1
763 1 44 LEU MD1 1 75 ARG H . . 4.360 3.804 3.200 4.210 . 0 0 "[ . 1 . 2]" 1
764 1 44 LEU MD1 1 76 GLU HA . . 3.650 3.102 2.895 3.272 . 0 0 "[ . 1 . 2]" 1
765 1 44 LEU MD1 1 77 PRO QB . . 5.340 3.710 2.684 4.230 . 0 0 "[ . 1 . 2]" 1
766 1 44 LEU MD1 1 77 PRO HD2 . . 3.800 3.553 3.325 3.779 . 0 0 "[ . 1 . 2]" 1
767 1 44 LEU MD1 1 77 PRO HD3 . . 3.580 2.170 1.953 2.467 . 0 0 "[ . 1 . 2]" 1
768 1 44 LEU MD1 1 77 PRO QG . . 3.820 3.362 2.793 3.687 . 0 0 "[ . 1 . 2]" 1
769 1 44 LEU MD2 1 45 ILE H . . 4.040 3.885 3.526 4.035 . 0 0 "[ . 1 . 2]" 1
770 1 44 LEU MD2 1 53 TYR HB2 . . 4.260 3.450 3.112 4.072 . 0 0 "[ . 1 . 2]" 1
771 1 44 LEU MD2 1 53 TYR QB . . 3.610 2.333 1.949 2.897 . 0 0 "[ . 1 . 2]" 1
772 1 44 LEU MD2 1 53 TYR HB3 . . 4.260 2.376 1.963 2.965 . 0 0 "[ . 1 . 2]" 1
773 1 44 LEU MD2 1 53 TYR QD . . 3.970 2.713 2.161 3.125 . 0 0 "[ . 1 . 2]" 1
774 1 44 LEU MD2 1 53 TYR QE . . 4.240 3.938 3.484 4.240 0.000 8 0 "[ . 1 . 2]" 1
775 1 44 LEU MD2 1 55 GLY HA2 . . 4.290 4.023 3.681 4.252 . 0 0 "[ . 1 . 2]" 1
776 1 44 LEU MD2 1 55 GLY HA3 . . 4.290 3.477 2.984 3.779 . 0 0 "[ . 1 . 2]" 1
777 1 44 LEU MD2 1 66 PHE QE . . 3.630 2.975 2.606 3.282 . 0 0 "[ . 1 . 2]" 1
778 1 44 LEU MD2 1 66 PHE HZ . . 3.150 2.573 1.893 3.121 . 0 0 "[ . 1 . 2]" 1
779 1 45 ILE H 1 45 ILE HB . . 3.770 2.542 2.457 2.670 . 0 0 "[ . 1 . 2]" 1
780 1 45 ILE H 1 45 ILE MD . . 4.430 3.279 3.092 3.473 . 0 0 "[ . 1 . 2]" 1
781 1 45 ILE H 1 45 ILE HG12 . . 4.810 3.579 1.914 3.884 . 0 0 "[ . 1 . 2]" 1
782 1 45 ILE H 1 45 ILE HG13 . . 4.390 2.268 1.996 3.368 . 0 0 "[ . 1 . 2]" 1
783 1 45 ILE H 1 45 ILE MG . . 4.190 3.773 3.759 3.808 . 0 0 "[ . 1 . 2]" 1
784 1 45 ILE H 1 46 ARG H . . 3.940 2.753 2.359 2.977 . 0 0 "[ . 1 . 2]" 1
785 1 45 ILE H 1 55 GLY HA2 . . 4.280 2.373 1.901 2.684 . 0 0 "[ . 1 . 2]" 1
786 1 45 ILE H 1 55 GLY QA . . 3.740 2.345 1.892 2.645 . 0 0 "[ . 1 . 2]" 1
787 1 45 ILE H 1 55 GLY HA3 . . 4.280 3.708 3.330 4.026 . 0 0 "[ . 1 . 2]" 1
788 1 45 ILE HA 1 45 ILE MD . . 4.240 3.809 2.274 3.958 . 0 0 "[ . 1 . 2]" 1
789 1 45 ILE HA 1 45 ILE HG13 . . 4.180 2.836 2.661 3.838 . 0 0 "[ . 1 . 2]" 1
790 1 45 ILE HA 1 45 ILE MG . . 3.490 2.339 2.166 2.447 . 0 0 "[ . 1 . 2]" 1
791 1 45 ILE HB 1 45 ILE MD . . 3.520 2.294 2.125 3.213 . 0 0 "[ . 1 . 2]" 1
792 1 45 ILE HB 1 46 ARG H . . 4.010 2.174 1.913 2.674 . 0 0 "[ . 1 . 2]" 1
793 1 45 ILE MD 1 54 GLU HG2 . . 3.680 3.208 2.531 3.641 . 0 0 "[ . 1 . 2]" 1
794 1 45 ILE MD 1 54 GLU HG3 . . 4.810 4.412 3.682 4.777 . 0 0 "[ . 1 . 2]" 1
795 1 45 ILE MD 1 55 GLY HA2 . . 4.560 2.793 2.091 3.231 . 0 0 "[ . 1 . 2]" 1
796 1 45 ILE MD 1 55 GLY QA . . 3.800 2.749 2.077 3.168 . 0 0 "[ . 1 . 2]" 1
797 1 45 ILE MD 1 55 GLY HA3 . . 4.560 4.122 3.542 4.560 . 0 0 "[ . 1 . 2]" 1
798 1 45 ILE MD 1 56 ARG H . . 4.400 3.499 2.838 4.097 . 0 0 "[ . 1 . 2]" 1
799 1 45 ILE MD 1 56 ARG HB2 . . 4.220 3.648 3.370 4.040 . 0 0 "[ . 1 . 2]" 1
800 1 45 ILE MD 1 56 ARG HB3 . . 4.220 2.237 1.915 2.584 . 0 0 "[ . 1 . 2]" 1
801 1 45 ILE MD 1 56 ARG HD2 . . 4.740 3.984 2.234 4.738 . 0 0 "[ . 1 . 2]" 1
802 1 45 ILE MD 1 56 ARG HD3 . . 4.740 4.169 3.408 4.739 . 0 0 "[ . 1 . 2]" 1
803 1 45 ILE MD 1 63 GLN HE21 . . 4.260 2.473 1.900 3.244 . 0 0 "[ . 1 . 2]" 1
804 1 45 ILE MD 1 63 GLN QE . . 3.600 2.339 1.874 3.089 . 0 0 "[ . 1 . 2]" 1
805 1 45 ILE MD 1 63 GLN HE22 . . 4.260 3.124 2.339 4.193 . 0 0 "[ . 1 . 2]" 1
806 1 45 ILE MD 1 63 GLN QG . . 3.870 3.071 2.337 3.870 . 0 0 "[ . 1 . 2]" 1
807 1 45 ILE HG13 1 55 GLY HA2 . . 4.830 2.916 2.216 3.328 . 0 0 "[ . 1 . 2]" 1
808 1 45 ILE HG13 1 55 GLY QA . . 4.250 2.876 2.203 3.272 . 0 0 "[ . 1 . 2]" 1
809 1 45 ILE HG13 1 55 GLY HA3 . . 4.830 4.412 3.858 4.833 0.003 16 0 "[ . 1 . 2]" 1
810 1 45 ILE HG13 1 63 GLN QE . . 5.340 4.790 2.979 5.326 . 0 0 "[ . 1 . 2]" 1
811 1 45 ILE MG 1 46 ARG H . . 4.220 3.076 2.643 3.621 . 0 0 "[ . 1 . 2]" 1
812 1 45 ILE MG 1 46 ARG HA . . 4.490 3.978 3.706 4.296 . 0 0 "[ . 1 . 2]" 1
813 1 45 ILE MG 1 46 ARG QD . . 4.320 3.529 1.955 4.320 . 0 0 "[ . 1 . 2]" 1
814 1 46 ARG H 1 54 GLU HB3 . . 4.690 3.045 2.407 3.539 . 0 0 "[ . 1 . 2]" 1
815 1 46 ARG HA 1 47 LYS H . . 3.240 2.193 2.140 2.332 . 0 0 "[ . 1 . 2]" 1
816 1 46 ARG HA 1 77 PRO QG . . 4.310 3.930 3.466 4.311 0.001 7 0 "[ . 1 . 2]" 1
817 1 46 ARG HA 1 79 LEU QD . . 3.550 2.826 2.073 3.516 . 0 0 "[ . 1 . 2]" 1
818 1 46 ARG QB 1 47 LYS H . . 3.890 3.324 2.587 3.906 0.016 8 0 "[ . 1 . 2]" 1
819 1 46 ARG QB 1 79 LEU QD . . 3.610 3.272 2.817 3.611 0.001 10 0 "[ . 1 . 2]" 1
820 1 46 ARG HB2 1 47 LYS H . . 4.490 3.997 2.722 4.490 0.000 7 0 "[ . 1 . 2]" 1
821 1 46 ARG HB3 1 47 LYS H . . 4.490 3.769 2.625 4.471 . 0 0 "[ . 1 . 2]" 1
822 1 47 LYS H 1 47 LYS HB2 . . 3.720 2.513 2.206 2.919 . 0 0 "[ . 1 . 2]" 1
823 1 47 LYS H 1 47 LYS HB3 . . 3.720 2.618 2.322 2.980 . 0 0 "[ . 1 . 2]" 1
824 1 47 LYS H 1 47 LYS QG . . 4.650 3.940 3.842 3.992 . 0 0 "[ . 1 . 2]" 1
825 1 47 LYS H 1 48 VAL H . . 5.030 4.339 4.136 4.562 . 0 0 "[ . 1 . 2]" 1
826 1 47 LYS H 1 53 TYR QD . . 5.500 4.696 3.869 5.225 . 0 0 "[ . 1 . 2]" 1
827 1 47 LYS H 1 53 TYR QE . . 5.500 5.125 4.349 5.500 0.000 8 0 "[ . 1 . 2]" 1
828 1 47 LYS H 1 77 PRO QG . . 4.060 2.946 2.322 3.675 . 0 0 "[ . 1 . 2]" 1
829 1 47 LYS H 1 79 LEU QD . . 3.980 2.899 1.905 3.650 . 0 0 "[ . 1 . 2]" 1
830 1 47 LYS HA 1 47 LYS HG2 . . 4.090 3.088 2.900 3.421 . 0 0 "[ . 1 . 2]" 1
831 1 47 LYS HA 1 47 LYS HG3 . . 4.090 2.542 2.243 2.896 . 0 0 "[ . 1 . 2]" 1
832 1 47 LYS HA 1 48 VAL H . . 3.340 2.173 2.140 2.244 . 0 0 "[ . 1 . 2]" 1
833 1 47 LYS HA 1 48 VAL HB . . 4.860 4.683 4.531 4.863 0.003 8 0 "[ . 1 . 2]" 1
834 1 47 LYS HA 1 48 VAL QG . . 3.970 3.601 3.408 3.810 . 0 0 "[ . 1 . 2]" 1
835 1 47 LYS HA 1 53 TYR HA . . 3.730 2.984 2.620 3.371 . 0 0 "[ . 1 . 2]" 1
836 1 47 LYS HA 1 53 TYR QD . . 3.930 2.591 2.046 3.101 . 0 0 "[ . 1 . 2]" 1
837 1 47 LYS HA 1 54 GLU H . . 4.440 3.071 2.408 3.736 . 0 0 "[ . 1 . 2]" 1
838 1 47 LYS QB 1 47 LYS QD . . 3.210 2.123 2.051 2.135 . 0 0 "[ . 1 . 2]" 1
839 1 47 LYS QB 1 47 LYS QE . . 4.200 3.468 2.528 3.668 . 0 0 "[ . 1 . 2]" 1
840 1 47 LYS QB 1 48 VAL H . . 4.270 3.892 3.674 4.018 . 0 0 "[ . 1 . 2]" 1
841 1 47 LYS QB 1 53 TYR QD . . 4.220 3.424 2.685 4.092 . 0 0 "[ . 1 . 2]" 1
842 1 47 LYS QB 1 53 TYR QE . . 3.790 2.916 2.176 3.543 . 0 0 "[ . 1 . 2]" 1
843 1 47 LYS QD 1 50 GLU HA . . 4.510 4.176 3.606 4.496 . 0 0 "[ . 1 . 2]" 1
844 1 47 LYS QD 1 53 TYR QE . . 4.040 2.426 1.817 3.356 . 0 0 "[ . 1 . 2]" 1
845 1 47 LYS QD 1 77 PRO HD2 . . 4.680 3.137 2.606 3.657 . 0 0 "[ . 1 . 2]" 1
846 1 47 LYS HD2 1 50 GLU HA . . 5.320 4.822 3.700 5.165 . 0 0 "[ . 1 . 2]" 1
847 1 47 LYS HD2 1 53 TYR QE . . 4.710 2.466 2.001 3.435 . 0 0 "[ . 1 . 2]" 1
848 1 47 LYS HD2 1 77 PRO HD2 . . 5.500 3.265 2.684 4.511 . 0 0 "[ . 1 . 2]" 1
849 1 47 LYS HD3 1 50 GLU HA . . 5.320 4.694 3.879 5.225 . 0 0 "[ . 1 . 2]" 1
850 1 47 LYS HD3 1 53 TYR QE . . 4.710 3.891 1.999 4.709 . 0 0 "[ . 1 . 2]" 1
851 1 47 LYS HD3 1 77 PRO HD2 . . 5.500 4.464 3.300 5.315 . 0 0 "[ . 1 . 2]" 1
852 1 47 LYS QE 1 47 LYS QG . . 3.050 2.143 2.039 2.349 . 0 0 "[ . 1 . 2]" 1
853 1 47 LYS QE 1 50 GLU HA . . 3.720 2.224 1.923 2.603 . 0 0 "[ . 1 . 2]" 1
854 1 47 LYS QE 1 50 GLU QB . . 4.370 3.546 3.182 3.882 . 0 0 "[ . 1 . 2]" 1
855 1 47 LYS QE 1 53 TYR QE . . 3.830 3.207 2.218 3.834 0.004 2 0 "[ . 1 . 2]" 1
856 1 47 LYS HE2 1 47 LYS HG2 . . 4.010 2.710 2.196 3.578 . 0 0 "[ . 1 . 2]" 1
857 1 47 LYS HE2 1 47 LYS HG3 . . 4.010 3.123 2.260 3.967 . 0 0 "[ . 1 . 2]" 1
858 1 47 LYS HE2 1 50 GLU HA . . 4.500 2.601 2.004 4.255 . 0 0 "[ . 1 . 2]" 1
859 1 47 LYS HE2 1 53 TYR QE . . 4.520 4.101 3.186 4.512 . 0 0 "[ . 1 . 2]" 1
860 1 47 LYS HE3 1 47 LYS HG2 . . 4.010 3.013 2.093 3.833 . 0 0 "[ . 1 . 2]" 1
861 1 47 LYS HE3 1 47 LYS HG3 . . 4.010 2.923 2.263 3.738 . 0 0 "[ . 1 . 2]" 1
862 1 47 LYS HE3 1 50 GLU HA . . 4.500 2.897 2.011 3.849 . 0 0 "[ . 1 . 2]" 1
863 1 47 LYS HE3 1 53 TYR QE . . 4.520 3.510 2.234 4.512 . 0 0 "[ . 1 . 2]" 1
864 1 47 LYS QG 1 48 VAL H . . 4.450 3.272 2.827 3.609 . 0 0 "[ . 1 . 2]" 1
865 1 47 LYS QG 1 49 ASN H . . 4.190 2.979 2.513 3.423 . 0 0 "[ . 1 . 2]" 1
866 1 47 LYS QG 1 53 TYR QD . . 4.030 2.809 2.311 3.194 . 0 0 "[ . 1 . 2]" 1
867 1 47 LYS QG 1 53 TYR QE . . 3.410 2.310 2.004 2.738 . 0 0 "[ . 1 . 2]" 1
868 1 47 LYS QG 1 77 PRO HD2 . . 5.340 4.449 3.816 5.204 . 0 0 "[ . 1 . 2]" 1
869 1 47 LYS QG 1 77 PRO QG . . 5.180 3.627 3.145 4.023 . 0 0 "[ . 1 . 2]" 1
870 1 47 LYS HG2 1 53 TYR QD . . 4.590 4.311 3.905 4.588 . 0 0 "[ . 1 . 2]" 1
871 1 47 LYS HG2 1 53 TYR QE . . 3.980 3.882 3.687 3.981 0.001 12 0 "[ . 1 . 2]" 1
872 1 47 LYS HG3 1 53 TYR QD . . 4.590 2.850 2.328 3.266 . 0 0 "[ . 1 . 2]" 1
873 1 47 LYS HG3 1 53 TYR QE . . 3.980 2.329 2.013 2.790 . 0 0 "[ . 1 . 2]" 1
874 1 48 VAL H 1 48 VAL HB . . 3.690 2.681 2.557 2.920 . 0 0 "[ . 1 . 2]" 1
875 1 48 VAL H 1 48 VAL MG1 . . 3.990 2.855 1.862 3.773 . 0 0 "[ . 1 . 2]" 1
876 1 48 VAL H 1 48 VAL QG . . 3.120 1.934 1.857 2.043 . 0 0 "[ . 1 . 2]" 1
877 1 48 VAL H 1 48 VAL MG2 . . 3.990 2.851 1.878 3.801 . 0 0 "[ . 1 . 2]" 1
878 1 48 VAL H 1 49 ASN H . . 3.330 2.741 2.238 3.168 . 0 0 "[ . 1 . 2]" 1
879 1 48 VAL H 1 52 TRP QB . . 4.810 4.535 4.308 4.794 . 0 0 "[ . 1 . 2]" 1
880 1 48 VAL H 1 53 TYR HA . . 3.680 2.469 2.028 2.938 . 0 0 "[ . 1 . 2]" 1
881 1 48 VAL H 1 53 TYR QD . . 4.610 3.940 3.388 4.438 . 0 0 "[ . 1 . 2]" 1
882 1 48 VAL H 1 54 GLU H . . 4.850 2.765 2.029 3.678 . 0 0 "[ . 1 . 2]" 1
883 1 48 VAL HA 1 48 VAL MG1 . . 3.270 2.760 2.151 3.203 . 0 0 "[ . 1 . 2]" 1
884 1 48 VAL HA 1 48 VAL MG2 . . 3.270 2.408 2.210 2.534 . 0 0 "[ . 1 . 2]" 1
885 1 48 VAL HB 1 49 ASN H . . 4.090 3.039 1.996 4.086 . 0 0 "[ . 1 . 2]" 1
886 1 48 VAL HB 1 52 TRP QB . . 4.320 3.372 2.186 4.321 0.001 11 0 "[ . 1 . 2]" 1
887 1 48 VAL HB 1 65 ILE MG . . 4.530 3.176 2.165 4.185 . 0 0 "[ . 1 . 2]" 1
888 1 48 VAL QG 1 49 ASN H . . 3.500 2.440 1.822 3.207 . 0 0 "[ . 1 . 2]" 1
889 1 48 VAL QG 1 49 ASN QB . . 4.000 2.804 2.211 3.608 . 0 0 "[ . 1 . 2]" 1
890 1 48 VAL QG 1 49 ASN QD . . 3.660 2.459 1.665 3.618 . 0 0 "[ . 1 . 2]" 1
891 1 48 VAL QG 1 52 TRP QB . . 3.100 2.127 1.756 2.946 . 0 0 "[ . 1 . 2]" 1
892 1 48 VAL QG 1 53 TYR HA . . 3.700 2.618 2.060 3.318 . 0 0 "[ . 1 . 2]" 1
893 1 48 VAL QG 1 53 TYR QD . . 5.300 4.387 4.027 4.946 . 0 0 "[ . 1 . 2]" 1
894 1 48 VAL QG 1 54 GLU H . . 3.900 2.882 1.939 3.900 . 0 0 "[ . 1 . 2]" 1
895 1 48 VAL QG 1 54 GLU HA . . 4.650 3.536 2.838 4.196 . 0 0 "[ . 1 . 2]" 1
896 1 48 VAL QG 1 54 GLU HG3 . . 4.990 4.225 3.706 4.778 . 0 0 "[ . 1 . 2]" 1
897 1 48 VAL QG 1 65 ILE HB . . 3.500 2.738 2.425 3.333 . 0 0 "[ . 1 . 2]" 1
898 1 48 VAL MG1 1 49 ASN H . . 4.090 2.575 1.830 3.650 . 0 0 "[ . 1 . 2]" 1
899 1 48 VAL MG1 1 52 TRP H . . 5.500 4.029 3.312 5.144 . 0 0 "[ . 1 . 2]" 1
900 1 48 VAL MG1 1 52 TRP QB . . 3.660 2.209 1.781 3.251 . 0 0 "[ . 1 . 2]" 1
901 1 48 VAL MG1 1 65 ILE HB . . 4.650 3.401 2.449 4.646 . 0 0 "[ . 1 . 2]" 1
902 1 48 VAL MG2 1 49 ASN H . . 4.090 3.536 3.324 3.842 . 0 0 "[ . 1 . 2]" 1
903 1 48 VAL MG2 1 52 TRP H . . 5.500 5.237 4.562 5.501 0.001 14 0 "[ . 1 . 2]" 1
904 1 48 VAL MG2 1 52 TRP QB . . 3.660 3.153 2.656 3.422 . 0 0 "[ . 1 . 2]" 1
905 1 48 VAL MG2 1 65 ILE HB . . 4.650 3.465 2.662 4.335 . 0 0 "[ . 1 . 2]" 1
906 1 49 ASN H 1 51 ASN H . . 4.630 4.154 3.777 4.535 . 0 0 "[ . 1 . 2]" 1
907 1 49 ASN H 1 52 TRP H . . 3.870 3.552 2.965 3.873 0.003 10 0 "[ . 1 . 2]" 1
908 1 49 ASN H 1 52 TRP QB . . 4.110 3.223 2.590 3.916 . 0 0 "[ . 1 . 2]" 1
909 1 49 ASN HA 1 50 GLU HA . . 4.710 4.304 4.295 4.320 . 0 0 "[ . 1 . 2]" 1
910 1 49 ASN HA 1 50 GLU QG . . 4.500 4.331 3.611 4.501 0.001 11 0 "[ . 1 . 2]" 1
911 1 49 ASN QB 1 50 GLU H . . 3.560 2.255 1.979 2.946 . 0 0 "[ . 1 . 2]" 1
912 1 49 ASN QB 1 50 GLU QB . . 4.820 4.330 4.108 4.541 . 0 0 "[ . 1 . 2]" 1
913 1 49 ASN HB2 1 50 GLU H . . 4.190 3.492 2.226 3.895 . 0 0 "[ . 1 . 2]" 1
914 1 49 ASN HB3 1 50 GLU H . . 4.190 2.390 1.995 3.508 . 0 0 "[ . 1 . 2]" 1
915 1 49 ASN QD 1 52 TRP QB . . 4.230 2.720 1.978 3.345 . 0 0 "[ . 1 . 2]" 1
916 1 49 ASN QD 1 52 TRP HD1 . . 4.060 3.174 2.539 3.818 . 0 0 "[ . 1 . 2]" 1
917 1 49 ASN HD21 1 52 TRP QB . . 4.820 2.894 1.987 4.529 . 0 0 "[ . 1 . 2]" 1
918 1 49 ASN HD22 1 52 TRP QB . . 4.820 4.114 2.320 4.810 . 0 0 "[ . 1 . 2]" 1
919 1 50 GLU H 1 50 GLU QB . . 3.740 2.590 2.375 2.845 . 0 0 "[ . 1 . 2]" 1
920 1 50 GLU H 1 50 GLU QG . . 4.190 2.105 1.815 2.399 . 0 0 "[ . 1 . 2]" 1
921 1 50 GLU HA 1 50 GLU QG . . 3.470 3.339 2.733 3.438 . 0 0 "[ . 1 . 2]" 1
922 1 50 GLU QB 1 51 ASN H . . 3.860 3.693 2.799 3.861 0.001 20 0 "[ . 1 . 2]" 1
923 1 50 GLU QB 1 51 ASN HD21 . . 4.670 4.009 1.993 4.637 . 0 0 "[ . 1 . 2]" 1
924 1 50 GLU QB 1 51 ASN QD . . 4.080 3.561 1.960 4.079 . 0 0 "[ . 1 . 2]" 1
925 1 50 GLU QB 1 51 ASN HD22 . . 4.670 4.084 2.904 4.647 . 0 0 "[ . 1 . 2]" 1
926 1 50 GLU QG 1 51 ASN H . . 4.340 2.790 2.249 3.477 . 0 0 "[ . 1 . 2]" 1
927 1 50 GLU QG 1 51 ASN QB . . 4.790 3.669 3.112 4.841 0.051 12 0 "[ . 1 . 2]" 1
928 1 50 GLU QG 1 51 ASN HD21 . . 4.650 2.706 1.903 4.094 . 0 0 "[ . 1 . 2]" 1
929 1 50 GLU QG 1 51 ASN HD22 . . 4.650 2.759 2.006 4.664 0.014 12 0 "[ . 1 . 2]" 1
930 1 51 ASN H 1 51 ASN QB . . 3.340 2.553 2.300 2.846 . 0 0 "[ . 1 . 2]" 1
931 1 51 ASN H 1 51 ASN HD21 . . 5.050 3.237 2.514 4.212 . 0 0 "[ . 1 . 2]" 1
932 1 51 ASN H 1 51 ASN QD . . 4.400 3.120 2.494 3.901 . 0 0 "[ . 1 . 2]" 1
933 1 51 ASN H 1 51 ASN HD22 . . 5.050 4.319 3.585 4.763 . 0 0 "[ . 1 . 2]" 1
934 1 51 ASN H 1 52 TRP H . . 3.070 2.054 1.829 2.608 . 0 0 "[ . 1 . 2]" 1
935 1 51 ASN H 1 52 TRP HD1 . . 4.300 3.786 3.372 4.259 . 0 0 "[ . 1 . 2]" 1
936 1 51 ASN HA 1 52 TRP HD1 . . 5.400 5.043 4.525 5.401 0.001 12 0 "[ . 1 . 2]" 1
937 1 51 ASN HA 1 53 TYR QE . . 4.960 4.409 3.466 4.961 0.001 5 0 "[ . 1 . 2]" 1
938 1 51 ASN HA 1 68 ALA MB . . 3.550 3.107 2.651 3.520 . 0 0 "[ . 1 . 2]" 1
939 1 51 ASN QB 1 51 ASN HD22 . . 3.710 3.330 3.237 3.453 . 0 0 "[ . 1 . 2]" 1
940 1 51 ASN QB 1 52 TRP H . . 3.440 2.600 2.149 3.277 . 0 0 "[ . 1 . 2]" 1
941 1 51 ASN QB 1 52 TRP HD1 . . 3.350 2.526 1.991 3.105 . 0 0 "[ . 1 . 2]" 1
942 1 51 ASN QB 1 52 TRP HE1 . . 4.230 3.740 3.284 4.215 . 0 0 "[ . 1 . 2]" 1
943 1 51 ASN QB 1 67 PRO HA . . 4.820 4.513 4.152 4.820 0.000 2 0 "[ . 1 . 2]" 1
944 1 51 ASN QB 1 68 ALA H . . 4.390 4.145 3.448 4.382 . 0 0 "[ . 1 . 2]" 1
945 1 51 ASN QB 1 68 ALA MB . . 4.280 4.087 3.097 4.285 0.005 8 0 "[ . 1 . 2]" 1
946 1 52 TRP H 1 52 TRP QB . . 3.650 2.415 2.302 2.536 . 0 0 "[ . 1 . 2]" 1
947 1 52 TRP H 1 52 TRP HD1 . . 3.820 2.588 2.077 3.218 . 0 0 "[ . 1 . 2]" 1
948 1 52 TRP H 1 53 TYR H . . 4.770 4.548 4.282 4.629 . 0 0 "[ . 1 . 2]" 1
949 1 52 TRP H 1 68 ALA MB . . 4.980 4.690 4.109 4.981 0.001 11 0 "[ . 1 . 2]" 1
950 1 52 TRP HA 1 52 TRP HE3 . . 4.800 3.491 3.234 3.952 . 0 0 "[ . 1 . 2]" 1
951 1 52 TRP HA 1 53 TYR H . . 3.130 2.297 2.141 2.443 . 0 0 "[ . 1 . 2]" 1
952 1 52 TRP HA 1 65 ILE MD . . 4.750 4.708 4.601 4.751 0.001 6 0 "[ . 1 . 2]" 1
953 1 52 TRP HA 1 66 PHE H . . 4.440 4.166 3.676 4.442 0.002 20 0 "[ . 1 . 2]" 1
954 1 52 TRP HA 1 67 PRO HA . . 3.490 2.829 2.633 3.100 . 0 0 "[ . 1 . 2]" 1
955 1 52 TRP HA 1 68 ALA H . . 3.440 3.222 2.946 3.418 . 0 0 "[ . 1 . 2]" 1
956 1 52 TRP HA 1 68 ALA MB . . 4.100 3.913 3.663 4.099 . 0 0 "[ . 1 . 2]" 1
957 1 52 TRP QB 1 52 TRP HZ3 . . 4.780 4.727 4.653 4.780 0.000 13 0 "[ . 1 . 2]" 1
958 1 52 TRP QB 1 53 TYR H . . 3.580 2.688 2.318 3.319 . 0 0 "[ . 1 . 2]" 1
959 1 52 TRP QB 1 65 ILE HB . . 4.350 2.875 2.313 3.491 . 0 0 "[ . 1 . 2]" 1
960 1 52 TRP QB 1 65 ILE MD . . 4.030 2.767 2.419 3.181 . 0 0 "[ . 1 . 2]" 1
961 1 52 TRP QB 1 65 ILE MG . . 4.340 3.599 3.176 3.991 . 0 0 "[ . 1 . 2]" 1
962 1 52 TRP QB 1 66 PHE H . . 4.340 3.644 2.953 4.277 . 0 0 "[ . 1 . 2]" 1
963 1 52 TRP QB 1 67 PRO HA . . 5.250 4.455 4.143 4.788 . 0 0 "[ . 1 . 2]" 1
964 1 52 TRP HE3 1 53 TYR H . . 4.690 3.590 3.166 4.379 . 0 0 "[ . 1 . 2]" 1
965 1 52 TRP HE3 1 65 ILE HB . . 3.750 2.710 2.347 3.009 . 0 0 "[ . 1 . 2]" 1
966 1 52 TRP HE3 1 65 ILE MD . . 3.680 2.166 1.963 2.426 . 0 0 "[ . 1 . 2]" 1
967 1 52 TRP HE3 1 65 ILE HG13 . . 4.420 3.264 2.696 3.800 . 0 0 "[ . 1 . 2]" 1
968 1 52 TRP HE3 1 65 ILE MG . . 4.420 4.185 3.873 4.369 . 0 0 "[ . 1 . 2]" 1
969 1 52 TRP HE3 1 66 PHE H . . 3.900 3.027 2.446 3.635 . 0 0 "[ . 1 . 2]" 1
970 1 52 TRP HE3 1 66 PHE HA . . 4.570 3.171 2.484 3.789 . 0 0 "[ . 1 . 2]" 1
971 1 52 TRP HH2 1 65 ILE MD . . 4.550 4.079 3.741 4.424 . 0 0 "[ . 1 . 2]" 1
972 1 52 TRP HH2 1 67 PRO HD3 . . 4.870 3.953 2.962 4.827 . 0 0 "[ . 1 . 2]" 1
973 1 52 TRP HZ2 1 65 ILE MD . . 5.210 4.833 4.346 5.159 . 0 0 "[ . 1 . 2]" 1
974 1 52 TRP HZ3 1 65 ILE MD . . 3.990 2.824 2.081 3.371 . 0 0 "[ . 1 . 2]" 1
975 1 52 TRP HZ3 1 65 ILE HG12 . . 5.200 4.850 4.471 5.126 . 0 0 "[ . 1 . 2]" 1
976 1 52 TRP HZ3 1 65 ILE HG13 . . 4.390 3.340 2.814 3.654 . 0 0 "[ . 1 . 2]" 1
977 1 52 TRP HZ3 1 66 PHE HA . . 4.290 2.926 2.171 3.693 . 0 0 "[ . 1 . 2]" 1
978 1 52 TRP HZ3 1 67 PRO HD3 . . 4.430 2.929 2.191 3.595 . 0 0 "[ . 1 . 2]" 1
979 1 53 TYR H 1 53 TYR HB2 . . 3.990 2.614 2.401 2.847 . 0 0 "[ . 1 . 2]" 1
980 1 53 TYR H 1 53 TYR QB . . 3.410 2.564 2.368 2.774 . 0 0 "[ . 1 . 2]" 1
981 1 53 TYR H 1 53 TYR HB3 . . 3.990 3.717 3.597 3.833 . 0 0 "[ . 1 . 2]" 1
982 1 53 TYR H 1 53 TYR QD . . 3.980 3.548 3.112 3.975 . 0 0 "[ . 1 . 2]" 1
983 1 53 TYR H 1 66 PHE H . . 3.750 2.528 2.212 2.920 . 0 0 "[ . 1 . 2]" 1
984 1 53 TYR H 1 66 PHE QE . . 5.180 4.871 4.275 5.182 0.002 9 0 "[ . 1 . 2]" 1
985 1 53 TYR H 1 67 PRO HA . . 4.440 4.114 3.830 4.368 . 0 0 "[ . 1 . 2]" 1
986 1 53 TYR HA 1 53 TYR QD . . 3.980 2.720 2.305 3.027 . 0 0 "[ . 1 . 2]" 1
987 1 53 TYR HA 1 53 TYR QE . . 5.440 4.450 4.273 4.572 . 0 0 "[ . 1 . 2]" 1
988 1 53 TYR HA 1 54 GLU H . . 3.540 2.281 2.146 2.652 . 0 0 "[ . 1 . 2]" 1
989 1 53 TYR QB 1 54 GLU H . . 3.720 2.832 1.912 3.268 . 0 0 "[ . 1 . 2]" 1
990 1 53 TYR QB 1 66 PHE H . . 4.630 3.775 3.466 4.024 . 0 0 "[ . 1 . 2]" 1
991 1 53 TYR QB 1 66 PHE QE . . 3.980 2.797 2.254 3.298 . 0 0 "[ . 1 . 2]" 1
992 1 53 TYR HB2 1 66 PHE QE . . 4.780 3.005 2.451 3.501 . 0 0 "[ . 1 . 2]" 1
993 1 53 TYR HB2 1 66 PHE HZ . . 4.850 4.221 3.635 4.684 . 0 0 "[ . 1 . 2]" 1
994 1 53 TYR HB3 1 66 PHE QE . . 4.780 3.360 2.632 4.296 . 0 0 "[ . 1 . 2]" 1
995 1 53 TYR HB3 1 66 PHE HZ . . 4.850 3.681 2.976 4.259 . 0 0 "[ . 1 . 2]" 1
996 1 53 TYR QD 1 54 GLU H . . 4.260 3.340 2.925 3.749 . 0 0 "[ . 1 . 2]" 1
997 1 53 TYR QD 1 68 ALA H . . 4.500 3.541 2.781 3.948 . 0 0 "[ . 1 . 2]" 1
998 1 53 TYR QD 1 68 ALA HA . . 3.180 2.909 2.497 3.177 . 0 0 "[ . 1 . 2]" 1
999 1 53 TYR QD 1 68 ALA MB . . 3.110 2.132 1.937 2.565 . 0 0 "[ . 1 . 2]" 1
1000 1 53 TYR QD 1 71 VAL MG2 . . 4.950 3.631 3.234 4.064 . 0 0 "[ . 1 . 2]" 1
1001 1 53 TYR QD 1 73 VAL QG . . 5.010 3.753 3.300 4.273 . 0 0 "[ . 1 . 2]" 1
1002 1 53 TYR QD 1 77 PRO HD3 . . 4.720 4.326 4.090 4.686 . 0 0 "[ . 1 . 2]" 1
1003 1 53 TYR QD 1 77 PRO QG . . 4.350 3.537 2.757 4.238 . 0 0 "[ . 1 . 2]" 1
1004 1 53 TYR QE 1 68 ALA H . . 5.210 4.662 4.051 5.089 . 0 0 "[ . 1 . 2]" 1
1005 1 53 TYR QE 1 68 ALA HA . . 4.180 4.036 3.754 4.176 . 0 0 "[ . 1 . 2]" 1
1006 1 53 TYR QE 1 68 ALA MB . . 3.140 2.032 1.807 2.408 . 0 0 "[ . 1 . 2]" 1
1007 1 53 TYR QE 1 73 VAL MG1 . . 4.430 3.727 2.977 4.249 . 0 0 "[ . 1 . 2]" 1
1008 1 53 TYR QE 1 73 VAL QG . . 3.310 2.789 2.176 3.305 . 0 0 "[ . 1 . 2]" 1
1009 1 53 TYR QE 1 73 VAL MG2 . . 4.430 2.983 2.197 4.167 . 0 0 "[ . 1 . 2]" 1
1010 1 53 TYR QE 1 76 GLU HA . . 4.530 4.268 3.683 4.522 . 0 0 "[ . 1 . 2]" 1
1011 1 53 TYR QE 1 76 GLU HB3 . . 5.500 4.646 3.751 5.129 . 0 0 "[ . 1 . 2]" 1
1012 1 53 TYR QE 1 77 PRO HD2 . . 3.660 3.016 2.645 3.576 . 0 0 "[ . 1 . 2]" 1
1013 1 53 TYR QE 1 77 PRO HD3 . . 4.100 3.353 2.892 3.792 . 0 0 "[ . 1 . 2]" 1
1014 1 53 TYR QE 1 77 PRO QG . . 4.570 3.124 2.428 3.818 . 0 0 "[ . 1 . 2]" 1
1015 1 54 GLU H 1 54 GLU HB2 . . 4.140 3.032 2.760 3.454 . 0 0 "[ . 1 . 2]" 1
1016 1 54 GLU H 1 54 GLU HB3 . . 4.130 2.559 2.434 2.807 . 0 0 "[ . 1 . 2]" 1
1017 1 54 GLU HA 1 54 GLU HG3 . . 4.220 2.613 2.464 2.857 . 0 0 "[ . 1 . 2]" 1
1018 1 54 GLU HA 1 55 GLY H . . 3.360 2.160 2.142 2.242 . 0 0 "[ . 1 . 2]" 1
1019 1 54 GLU HA 1 64 GLY H . . 4.850 4.669 4.405 4.848 . 0 0 "[ . 1 . 2]" 1
1020 1 54 GLU HA 1 65 ILE HA . . 3.470 2.062 1.997 2.236 . 0 0 "[ . 1 . 2]" 1
1021 1 54 GLU HA 1 65 ILE HB . . 4.230 3.833 3.467 4.045 . 0 0 "[ . 1 . 2]" 1
1022 1 54 GLU HA 1 65 ILE MG . . 3.270 2.474 1.973 2.807 . 0 0 "[ . 1 . 2]" 1
1023 1 54 GLU HA 1 66 PHE H . . 4.710 3.814 3.468 4.078 . 0 0 "[ . 1 . 2]" 1
1024 1 54 GLU HA 1 66 PHE QD . . 4.610 4.328 3.960 4.610 0.000 17 0 "[ . 1 . 2]" 1
1025 1 54 GLU HB2 1 55 GLY H . . 4.530 4.290 4.018 4.473 . 0 0 "[ . 1 . 2]" 1
1026 1 54 GLU HB2 1 65 ILE HA . . 4.810 3.672 3.349 3.996 . 0 0 "[ . 1 . 2]" 1
1027 1 54 GLU HB2 1 65 ILE HG12 . . 5.500 5.468 5.405 5.500 0.000 10 0 "[ . 1 . 2]" 1
1028 1 54 GLU HB2 1 65 ILE MG . . 3.130 2.063 1.968 2.214 . 0 0 "[ . 1 . 2]" 1
1029 1 54 GLU HG2 1 55 GLY H . . 3.890 3.427 2.666 3.879 . 0 0 "[ . 1 . 2]" 1
1030 1 54 GLU HG2 1 63 GLN QE . . 5.220 3.665 2.279 5.222 0.002 16 0 "[ . 1 . 2]" 1
1031 1 54 GLU HG2 1 65 ILE MG . . 4.280 3.940 3.541 4.210 . 0 0 "[ . 1 . 2]" 1
1032 1 54 GLU HG3 1 55 GLY H . . 4.040 3.338 2.589 3.967 . 0 0 "[ . 1 . 2]" 1
1033 1 54 GLU HG3 1 65 ILE H . . 4.750 4.587 4.269 4.749 . 0 0 "[ . 1 . 2]" 1
1034 1 54 GLU HG3 1 65 ILE HA . . 4.450 3.751 3.359 4.025 . 0 0 "[ . 1 . 2]" 1
1035 1 54 GLU HG3 1 65 ILE MG . . 3.430 2.658 2.176 2.955 . 0 0 "[ . 1 . 2]" 1
1036 1 55 GLY H 1 64 GLY H . . 3.950 3.461 3.128 3.965 0.015 16 0 "[ . 1 . 2]" 1
1037 1 55 GLY H 1 65 ILE HA . . 4.200 3.212 2.746 3.603 . 0 0 "[ . 1 . 2]" 1
1038 1 55 GLY H 1 65 ILE MG . . 4.250 4.116 3.793 4.250 0.000 6 0 "[ . 1 . 2]" 1
1039 1 55 GLY H 1 66 PHE QD . . 4.510 3.748 3.146 4.457 . 0 0 "[ . 1 . 2]" 1
1040 1 55 GLY H 1 66 PHE QE . . 4.040 2.416 1.954 2.959 . 0 0 "[ . 1 . 2]" 1
1041 1 55 GLY QA 1 56 ARG QG . . 4.710 3.759 3.436 3.958 . 0 0 "[ . 1 . 2]" 1
1042 1 55 GLY QA 1 66 PHE QE . . 3.690 2.600 2.068 2.996 . 0 0 "[ . 1 . 2]" 1
1043 1 55 GLY HA2 1 66 PHE QE . . 4.400 4.057 3.569 4.391 . 0 0 "[ . 1 . 2]" 1
1044 1 55 GLY HA3 1 66 PHE QE . . 4.400 2.633 2.081 3.054 . 0 0 "[ . 1 . 2]" 1
1045 1 56 ARG H 1 56 ARG QG . . 3.880 2.513 1.985 2.803 . 0 0 "[ . 1 . 2]" 1
1046 1 56 ARG H 1 66 PHE QE . . 4.810 4.249 3.559 4.640 . 0 0 "[ . 1 . 2]" 1
1047 1 56 ARG HA 1 57 ILE H . . 3.390 2.318 2.150 2.434 . 0 0 "[ . 1 . 2]" 1
1048 1 56 ARG HA 1 57 ILE HG12 . . 4.770 3.529 3.276 3.790 . 0 0 "[ . 1 . 2]" 1
1049 1 56 ARG HA 1 63 GLN HB2 . . 4.790 3.285 2.215 4.400 . 0 0 "[ . 1 . 2]" 1
1050 1 56 ARG HA 1 63 GLN QB . . 3.930 3.149 1.989 3.542 . 0 0 "[ . 1 . 2]" 1
1051 1 56 ARG HA 1 63 GLN HB3 . . 4.790 4.427 2.250 4.791 0.001 2 0 "[ . 1 . 2]" 1
1052 1 56 ARG HA 1 63 GLN QG . . 4.450 3.079 2.056 4.033 . 0 0 "[ . 1 . 2]" 1
1053 1 56 ARG HA 1 64 GLY H . . 4.360 3.419 3.207 3.572 . 0 0 "[ . 1 . 2]" 1
1054 1 56 ARG QB 1 57 ILE H . . 3.630 2.670 2.380 3.230 . 0 0 "[ . 1 . 2]" 1
1055 1 56 ARG QB 1 63 GLN QB . . 3.880 2.611 2.101 3.094 . 0 0 "[ . 1 . 2]" 1
1056 1 56 ARG QB 1 63 GLN QG . . 3.910 2.481 1.781 3.865 . 0 0 "[ . 1 . 2]" 1
1057 1 56 ARG HB2 1 57 ILE H . . 4.390 2.717 2.407 3.333 . 0 0 "[ . 1 . 2]" 1
1058 1 56 ARG HB2 1 63 GLN HA . . 4.400 3.647 3.272 4.321 . 0 0 "[ . 1 . 2]" 1
1059 1 56 ARG HB2 1 63 GLN QG . . 4.470 3.370 2.010 4.469 . 0 0 "[ . 1 . 2]" 1
1060 1 56 ARG HB3 1 57 ILE H . . 4.390 3.976 3.747 4.328 . 0 0 "[ . 1 . 2]" 1
1061 1 56 ARG HB3 1 63 GLN HA . . 4.400 3.764 3.158 4.400 0.000 20 0 "[ . 1 . 2]" 1
1062 1 56 ARG HB3 1 63 GLN QG . . 4.470 2.573 1.987 4.230 . 0 0 "[ . 1 . 2]" 1
1063 1 56 ARG QD 1 58 THR HA . . 4.650 3.315 2.279 4.646 . 0 0 "[ . 1 . 2]" 1
1064 1 56 ARG QD 1 58 THR HB . . 4.170 3.541 2.200 4.171 0.001 14 0 "[ . 1 . 2]" 1
1065 1 56 ARG QD 1 58 THR MG . . 4.810 4.296 3.224 4.808 . 0 0 "[ . 1 . 2]" 1
1066 1 56 ARG QG 1 58 THR HA . . 5.420 4.426 3.874 5.430 0.010 16 0 "[ . 1 . 2]" 1
1067 1 56 ARG QG 1 63 GLN QB . . 4.790 4.538 4.040 4.832 0.042 16 0 "[ . 1 . 2]" 1
1068 1 57 ILE H 1 57 ILE HB . . 3.650 2.591 2.479 2.738 . 0 0 "[ . 1 . 2]" 1
1069 1 57 ILE H 1 57 ILE MD . . 4.180 3.529 3.101 3.791 . 0 0 "[ . 1 . 2]" 1
1070 1 57 ILE H 1 57 ILE HG12 . . 3.650 2.528 2.118 2.782 . 0 0 "[ . 1 . 2]" 1
1071 1 57 ILE H 1 57 ILE HG13 . . 4.090 3.907 3.562 4.089 . 0 0 "[ . 1 . 2]" 1
1072 1 57 ILE H 1 57 ILE MG . . 3.880 3.821 3.763 3.893 0.013 14 0 "[ . 1 . 2]" 1
1073 1 57 ILE H 1 63 GLN HA . . 4.450 3.375 2.675 3.736 . 0 0 "[ . 1 . 2]" 1
1074 1 57 ILE HA 1 57 ILE MD . . 3.340 2.036 1.963 2.167 . 0 0 "[ . 1 . 2]" 1
1075 1 57 ILE HA 1 57 ILE HG12 . . 4.210 3.074 2.951 3.291 . 0 0 "[ . 1 . 2]" 1
1076 1 57 ILE HA 1 57 ILE HG13 . . 4.240 3.735 3.636 3.803 . 0 0 "[ . 1 . 2]" 1
1077 1 57 ILE HA 1 57 ILE MG . . 3.190 2.364 2.248 2.453 . 0 0 "[ . 1 . 2]" 1
1078 1 57 ILE HA 1 58 THR H . . 3.440 2.299 2.141 2.494 . 0 0 "[ . 1 . 2]" 1
1079 1 57 ILE HA 1 58 THR HB . . 4.900 4.777 4.419 4.903 0.003 9 0 "[ . 1 . 2]" 1
1080 1 57 ILE HB 1 57 ILE MD . . 3.310 3.220 3.210 3.230 . 0 0 "[ . 1 . 2]" 1
1081 1 57 ILE HB 1 60 THR H . . 4.850 3.879 3.337 4.594 . 0 0 "[ . 1 . 2]" 1
1082 1 57 ILE HB 1 60 THR HG1 . . 4.210 2.355 1.999 3.060 . 0 0 "[ . 1 . 2]" 1
1083 1 57 ILE HB 1 60 THR MG . . 4.090 3.972 3.692 4.094 0.004 9 0 "[ . 1 . 2]" 1
1084 1 57 ILE HB 1 62 ARG H . . 4.250 3.398 2.531 4.182 . 0 0 "[ . 1 . 2]" 1
1085 1 57 ILE HB 1 62 ARG HB2 . . 5.170 2.676 2.046 4.694 . 0 0 "[ . 1 . 2]" 1
1086 1 57 ILE HB 1 62 ARG HB3 . . 5.170 3.973 3.194 4.712 . 0 0 "[ . 1 . 2]" 1
1087 1 57 ILE HB 1 62 ARG HD2 . . 5.090 4.268 2.831 5.088 . 0 0 "[ . 1 . 2]" 1
1088 1 57 ILE HB 1 62 ARG QD . . 4.350 3.366 2.605 3.935 . 0 0 "[ . 1 . 2]" 1
1089 1 57 ILE HB 1 62 ARG HD3 . . 5.090 3.690 2.627 4.769 . 0 0 "[ . 1 . 2]" 1
1090 1 57 ILE HB 1 62 ARG QG . . 5.340 3.664 1.822 4.464 . 0 0 "[ . 1 . 2]" 1
1091 1 57 ILE MD 1 57 ILE MG . . 2.870 1.988 1.869 2.257 . 0 0 "[ . 1 . 2]" 1
1092 1 57 ILE HG12 1 57 ILE MG . . 3.610 3.189 3.159 3.202 . 0 0 "[ . 1 . 2]" 1
1093 1 57 ILE HG13 1 57 ILE MG . . 3.550 2.371 2.142 2.521 . 0 0 "[ . 1 . 2]" 1
1094 1 57 ILE MG 1 58 THR H . . 3.860 3.393 2.703 3.767 . 0 0 "[ . 1 . 2]" 1
1095 1 57 ILE MG 1 58 THR HB . . 5.500 5.147 4.662 5.427 . 0 0 "[ . 1 . 2]" 1
1096 1 57 ILE MG 1 59 GLY QA . . 4.550 4.149 3.095 4.543 . 0 0 "[ . 1 . 2]" 1
1097 1 57 ILE MG 1 60 THR H . . 4.100 3.028 2.252 3.667 . 0 0 "[ . 1 . 2]" 1
1098 1 57 ILE MG 1 60 THR HB . . 4.650 4.031 3.660 4.358 . 0 0 "[ . 1 . 2]" 1
1099 1 57 ILE MG 1 60 THR HG1 . . 4.160 2.520 1.966 3.142 . 0 0 "[ . 1 . 2]" 1
1100 1 57 ILE MG 1 62 ARG QB . . 4.210 3.641 3.190 4.229 0.019 16 0 "[ . 1 . 2]" 1
1101 1 57 ILE MG 1 62 ARG QD . . 4.390 3.255 2.530 4.238 . 0 0 "[ . 1 . 2]" 1
1102 1 57 ILE MG 1 62 ARG QG . . 4.510 4.089 2.300 4.507 . 0 0 "[ . 1 . 2]" 1
1103 1 58 THR H 1 58 THR HB . . 3.680 2.583 2.408 2.775 . 0 0 "[ . 1 . 2]" 1
1104 1 58 THR H 1 58 THR MG . . 4.410 2.429 1.914 3.792 . 0 0 "[ . 1 . 2]" 1
1105 1 58 THR HA 1 58 THR MG . . 3.300 3.088 2.472 3.207 . 0 0 "[ . 1 . 2]" 1
1106 1 58 THR HA 1 60 THR H . . 4.340 3.859 3.294 4.169 . 0 0 "[ . 1 . 2]" 1
1107 1 59 GLY QA 1 60 THR MG . . 3.930 3.364 3.209 3.522 . 0 0 "[ . 1 . 2]" 1
1108 1 59 GLY HA2 1 60 THR MG . . 4.630 4.466 4.266 4.571 . 0 0 "[ . 1 . 2]" 1
1109 1 59 GLY HA3 1 60 THR MG . . 4.630 3.481 3.292 3.672 . 0 0 "[ . 1 . 2]" 1
1110 1 60 THR H 1 60 THR HG1 . . 3.800 2.647 1.920 3.408 . 0 0 "[ . 1 . 2]" 1
1111 1 60 THR H 1 60 THR MG . . 3.370 2.643 2.092 3.211 . 0 0 "[ . 1 . 2]" 1
1112 1 60 THR H 1 62 ARG H . . 4.750 4.340 3.451 4.750 . 18 0 "[ . 1 . 2]" 1
1113 1 60 THR HA 1 60 THR MG . . 3.160 2.373 2.206 2.545 . 0 0 "[ . 1 . 2]" 1
1114 1 60 THR HB 1 62 ARG H . . 4.120 3.233 2.476 4.081 . 0 0 "[ . 1 . 2]" 1
1115 1 60 THR HB 1 62 ARG QB . . 5.150 4.059 3.230 4.670 . 0 0 "[ . 1 . 2]" 1
1116 1 60 THR HB 1 62 ARG QD . . 4.030 2.937 1.921 3.902 . 0 0 "[ . 1 . 2]" 1
1117 1 60 THR HB 1 62 ARG QG . . 4.030 3.202 2.349 4.046 0.016 17 0 "[ . 1 . 2]" 1
1118 1 60 THR HG1 1 62 ARG H . . 4.040 2.556 1.900 3.733 . 0 0 "[ . 1 . 2]" 1
1119 1 60 THR MG 1 62 ARG H . . 4.520 4.317 3.975 4.484 . 0 0 "[ . 1 . 2]" 1
1120 1 60 THR MG 1 62 ARG HD2 . . 4.530 3.538 2.751 4.310 . 0 0 "[ . 1 . 2]" 1
1121 1 60 THR MG 1 62 ARG QD . . 3.750 3.156 2.715 3.602 . 0 0 "[ . 1 . 2]" 1
1122 1 60 THR MG 1 62 ARG HD3 . . 4.530 3.920 2.966 4.535 0.005 20 0 "[ . 1 . 2]" 1
1123 1 62 ARG H 1 62 ARG HB2 . . 3.740 2.732 2.351 3.741 0.001 16 0 "[ . 1 . 2]" 1
1124 1 62 ARG H 1 62 ARG QB . . 3.130 2.520 2.320 2.649 . 0 0 "[ . 1 . 2]" 1
1125 1 62 ARG H 1 62 ARG HB3 . . 3.740 3.473 2.380 3.739 . 0 0 "[ . 1 . 2]" 1
1126 1 62 ARG H 1 62 ARG HD2 . . 4.700 3.585 1.892 4.675 . 0 0 "[ . 1 . 2]" 1
1127 1 62 ARG H 1 62 ARG QD . . 4.040 3.258 1.840 4.003 . 0 0 "[ . 1 . 2]" 1
1128 1 62 ARG H 1 62 ARG HD3 . . 4.700 3.905 2.384 4.700 . 0 0 "[ . 1 . 2]" 1
1129 1 62 ARG H 1 62 ARG HG2 . . 3.900 3.450 2.019 3.943 0.043 17 0 "[ . 1 . 2]" 1
1130 1 62 ARG H 1 62 ARG QG . . 3.320 2.390 1.897 3.320 . 0 0 "[ . 1 . 2]" 1
1131 1 62 ARG H 1 62 ARG HG3 . . 3.900 2.640 1.910 3.716 . 0 0 "[ . 1 . 2]" 1
1132 1 62 ARG H 1 63 GLN H . . 4.640 4.535 4.330 4.641 0.001 7 0 "[ . 1 . 2]" 1
1133 1 62 ARG HA 1 62 ARG HG2 . . 4.100 3.060 2.671 3.791 . 0 0 "[ . 1 . 2]" 1
1134 1 62 ARG HA 1 62 ARG HG3 . . 4.100 2.951 2.261 3.879 . 0 0 "[ . 1 . 2]" 1
1135 1 62 ARG HA 1 63 GLN H . . 2.800 2.229 2.141 2.538 . 0 0 "[ . 1 . 2]" 1
1136 1 62 ARG QB 1 62 ARG QD . . 3.170 2.165 2.084 2.448 . 0 0 "[ . 1 . 2]" 1
1137 1 62 ARG QB 1 63 GLN H . . 4.450 2.950 2.171 3.532 . 0 0 "[ . 1 . 2]" 1
1138 1 62 ARG QG 1 63 GLN H . . 4.240 4.025 3.796 4.258 0.018 20 0 "[ . 1 . 2]" 1
1139 1 63 GLN H 1 63 GLN HB2 . . 3.790 3.445 2.549 3.762 . 0 0 "[ . 1 . 2]" 1
1140 1 63 GLN H 1 63 GLN QB . . 3.230 2.802 2.507 2.928 . 0 0 "[ . 1 . 2]" 1
1141 1 63 GLN H 1 63 GLN HB3 . . 3.790 3.014 2.641 3.718 . 0 0 "[ . 1 . 2]" 1
1142 1 63 GLN H 1 63 GLN QG . . 4.370 3.994 2.332 4.343 . 0 0 "[ . 1 . 2]" 1
1143 1 63 GLN H 1 64 GLY H . . 4.820 4.167 3.883 4.492 . 0 0 "[ . 1 . 2]" 1
1144 1 63 GLN HA 1 63 GLN QG . . 3.730 2.555 2.354 3.338 . 0 0 "[ . 1 . 2]" 1
1145 1 63 GLN HA 1 64 GLY H . . 3.200 2.229 2.143 2.661 . 0 0 "[ . 1 . 2]" 1
1146 1 63 GLN QB 1 64 GLY H . . 3.850 3.524 1.934 3.837 . 0 0 "[ . 1 . 2]" 1
1147 1 63 GLN HB2 1 64 GLY H . . 4.550 3.981 2.320 4.327 . 0 0 "[ . 1 . 2]" 1
1148 1 63 GLN HB3 1 64 GLY H . . 4.550 4.022 1.951 4.377 . 0 0 "[ . 1 . 2]" 1
1149 1 63 GLN HE22 1 63 GLN QG . . 3.760 3.232 3.216 3.376 . 0 0 "[ . 1 . 2]" 1
1150 1 63 GLN QG 1 64 GLY H . . 3.600 2.703 2.107 3.674 0.074 16 0 "[ . 1 . 2]" 1
1151 1 64 GLY QA 1 65 ILE MG . . 4.070 3.390 3.244 3.564 . 0 0 "[ . 1 . 2]" 1
1152 1 65 ILE H 1 65 ILE MD . . 4.130 3.869 3.774 3.952 . 0 0 "[ . 1 . 2]" 1
1153 1 65 ILE H 1 65 ILE HG12 . . 3.640 2.386 2.199 2.565 . 0 0 "[ . 1 . 2]" 1
1154 1 65 ILE H 1 65 ILE HG13 . . 3.860 2.609 2.440 2.898 . 0 0 "[ . 1 . 2]" 1
1155 1 65 ILE H 1 65 ILE MG . . 3.330 2.747 2.429 2.959 . 0 0 "[ . 1 . 2]" 1
1156 1 65 ILE HA 1 65 ILE MD . . 4.270 4.113 4.080 4.155 . 0 0 "[ . 1 . 2]" 1
1157 1 65 ILE HA 1 65 ILE MG . . 3.180 2.278 2.199 2.398 . 0 0 "[ . 1 . 2]" 1
1158 1 65 ILE HA 1 66 PHE H . . 3.230 2.410 2.291 2.515 . 0 0 "[ . 1 . 2]" 1
1159 1 65 ILE HA 1 66 PHE QD . . 4.410 3.305 2.802 3.876 . 0 0 "[ . 1 . 2]" 1
1160 1 65 ILE HB 1 65 ILE MD . . 3.150 2.172 2.101 2.329 . 0 0 "[ . 1 . 2]" 1
1161 1 65 ILE HB 1 66 PHE H . . 3.480 2.376 2.132 2.665 . 0 0 "[ . 1 . 2]" 1
1162 1 65 ILE MD 1 65 ILE MG . . 2.820 2.415 2.206 2.523 . 0 0 "[ . 1 . 2]" 1
1163 1 65 ILE HG12 1 65 ILE MG . . 3.570 2.116 2.032 2.256 . 0 0 "[ . 1 . 2]" 1
1164 1 65 ILE HG13 1 65 ILE MG . . 3.640 3.145 3.126 3.180 . 0 0 "[ . 1 . 2]" 1
1165 1 65 ILE HG13 1 66 PHE H . . 5.000 3.719 3.501 3.978 . 0 0 "[ . 1 . 2]" 1
1166 1 65 ILE MG 1 66 PHE H . . 3.870 3.673 3.497 3.828 . 0 0 "[ . 1 . 2]" 1
1167 1 66 PHE H 1 66 PHE QD . . 3.920 3.275 3.004 3.408 . 0 0 "[ . 1 . 2]" 1
1168 1 66 PHE H 1 66 PHE QE . . 4.810 4.417 4.197 4.523 . 0 0 "[ . 1 . 2]" 1
1169 1 66 PHE H 1 67 PRO HD3 . . 4.950 4.813 4.756 4.887 . 0 0 "[ . 1 . 2]" 1
1170 1 66 PHE HA 1 66 PHE QD . . 4.390 3.687 3.636 3.719 . 0 0 "[ . 1 . 2]" 1
1171 1 66 PHE HA 1 67 PRO HD2 . . 3.600 2.444 2.405 2.485 . 0 0 "[ . 1 . 2]" 1
1172 1 66 PHE HA 1 67 PRO HD3 . . 3.530 2.316 2.299 2.334 . 0 0 "[ . 1 . 2]" 1
1173 1 66 PHE HA 1 67 PRO HG2 . . 4.650 4.548 4.516 4.581 . 0 0 "[ . 1 . 2]" 1
1174 1 66 PHE HA 1 67 PRO HG3 . . 4.650 4.497 4.473 4.523 . 0 0 "[ . 1 . 2]" 1
1175 1 66 PHE QB 1 67 PRO HD2 . . 3.400 1.981 1.963 2.044 . 0 0 "[ . 1 . 2]" 1
1176 1 66 PHE QB 1 67 PRO HD3 . . 3.600 3.271 3.228 3.327 . 0 0 "[ . 1 . 2]" 1
1177 1 66 PHE HB2 1 67 PRO HD2 . . 4.070 2.010 1.998 2.073 . 0 0 "[ . 1 . 2]" 1
1178 1 66 PHE HB2 1 67 PRO HD3 . . 4.220 3.459 3.449 3.516 . 0 0 "[ . 1 . 2]" 1
1179 1 66 PHE HB3 1 67 PRO HD2 . . 4.070 3.018 2.856 3.200 . 0 0 "[ . 1 . 2]" 1
1180 1 66 PHE HB3 1 67 PRO HD3 . . 4.220 4.033 3.888 4.194 . 0 0 "[ . 1 . 2]" 1
1181 1 66 PHE QD 1 67 PRO HD2 . . 4.160 3.871 3.697 3.950 . 0 0 "[ . 1 . 2]" 1
1182 1 66 PHE QD 1 67 PRO HD3 . . 5.250 4.931 4.834 5.011 . 0 0 "[ . 1 . 2]" 1
1183 1 66 PHE QD 1 68 ALA HA . . 4.800 3.775 3.519 3.968 . 0 0 "[ . 1 . 2]" 1
1184 1 66 PHE QD 1 71 VAL H . . 4.860 4.333 3.992 4.701 . 0 0 "[ . 1 . 2]" 1
1185 1 66 PHE QD 1 71 VAL MG1 . . 3.580 2.599 2.031 3.185 . 0 0 "[ . 1 . 2]" 1
1186 1 66 PHE QD 1 71 VAL MG2 . . 4.090 2.644 2.016 3.183 . 0 0 "[ . 1 . 2]" 1
1187 1 66 PHE QE 1 71 VAL MG1 . . 3.880 2.760 2.062 3.576 . 0 0 "[ . 1 . 2]" 1
1188 1 66 PHE QE 1 71 VAL MG2 . . 3.180 2.202 1.954 2.509 . 0 0 "[ . 1 . 2]" 1
1189 1 66 PHE HZ 1 71 VAL MG2 . . 4.780 4.194 3.774 4.502 . 0 0 "[ . 1 . 2]" 1
1190 1 67 PRO HA 1 68 ALA H . . 3.100 2.168 2.151 2.216 . 0 0 "[ . 1 . 2]" 1
1191 1 67 PRO HA 1 68 ALA MB . . 4.150 3.960 3.925 4.005 . 0 0 "[ . 1 . 2]" 1
1192 1 67 PRO HA 1 69 SER H . . 4.410 4.099 3.551 4.386 . 0 0 "[ . 1 . 2]" 1
1193 1 67 PRO HB2 1 68 ALA H . . 4.180 3.434 3.169 3.630 . 0 0 "[ . 1 . 2]" 1
1194 1 67 PRO HB2 1 69 SER H . . 3.970 3.281 2.289 3.683 . 0 0 "[ . 1 . 2]" 1
1195 1 67 PRO HB2 1 70 TYR H . . 4.280 3.051 2.729 3.815 . 0 0 "[ . 1 . 2]" 1
1196 1 67 PRO HB2 1 70 TYR QD . . 3.610 2.113 2.000 2.283 . 0 0 "[ . 1 . 2]" 1
1197 1 67 PRO HB2 1 70 TYR QE . . 3.770 3.165 2.685 3.380 . 0 0 "[ . 1 . 2]" 1
1198 1 67 PRO HB2 1 71 VAL H . . 5.500 4.984 4.846 5.334 . 0 0 "[ . 1 . 2]" 1
1199 1 67 PRO HB3 1 68 ALA H . . 4.130 3.936 3.766 4.067 . 0 0 "[ . 1 . 2]" 1
1200 1 67 PRO HB3 1 70 TYR QD . . 3.970 3.669 3.522 3.861 . 0 0 "[ . 1 . 2]" 1
1201 1 67 PRO HB3 1 70 TYR QE . . 4.050 3.800 3.388 4.023 . 0 0 "[ . 1 . 2]" 1
1202 1 67 PRO HD2 1 70 TYR QD . . 4.430 4.390 4.314 4.432 0.002 10 0 "[ . 1 . 2]" 1
1203 1 67 PRO HD2 1 70 TYR QE . . 5.270 5.220 5.107 5.272 0.002 16 0 "[ . 1 . 2]" 1
1204 1 67 PRO HD3 1 70 TYR QE . . 5.450 5.259 5.075 5.378 . 0 0 "[ . 1 . 2]" 1
1205 1 67 PRO QG 1 70 TYR HB3 . . 5.030 3.419 3.230 3.783 . 0 0 "[ . 1 . 2]" 1
1206 1 67 PRO QG 1 70 TYR QD . . 3.870 2.461 2.162 2.683 . 0 0 "[ . 1 . 2]" 1
1207 1 67 PRO QG 1 70 TYR QE . . 3.440 3.039 2.890 3.230 . 0 0 "[ . 1 . 2]" 1
1208 1 67 PRO HG2 1 70 TYR QE . . 4.210 3.609 3.412 3.791 . 0 0 "[ . 1 . 2]" 1
1209 1 67 PRO HG3 1 70 TYR QE . . 4.210 3.272 3.120 3.501 . 0 0 "[ . 1 . 2]" 1
1210 1 68 ALA H 1 68 ALA MB . . 3.000 2.123 2.028 2.261 . 0 0 "[ . 1 . 2]" 1
1211 1 68 ALA HA 1 70 TYR H . . 4.240 3.630 3.267 4.103 . 0 0 "[ . 1 . 2]" 1
1212 1 68 ALA HA 1 71 VAL H . . 4.100 3.070 2.957 3.327 . 0 0 "[ . 1 . 2]" 1
1213 1 68 ALA HA 1 71 VAL MG1 . . 4.520 3.941 3.636 4.371 . 0 0 "[ . 1 . 2]" 1
1214 1 68 ALA HA 1 71 VAL MG2 . . 3.320 2.095 1.948 2.519 . 0 0 "[ . 1 . 2]" 1
1215 1 68 ALA MB 1 69 SER H . . 3.290 2.557 2.266 3.290 . 0 0 "[ . 1 . 2]" 1
1216 1 68 ALA MB 1 69 SER HA . . 4.300 3.706 3.577 4.048 . 0 0 "[ . 1 . 2]" 1
1217 1 68 ALA MB 1 70 TYR H . . 4.370 4.164 4.077 4.332 . 0 0 "[ . 1 . 2]" 1
1218 1 68 ALA MB 1 71 VAL H . . 4.510 4.274 4.169 4.501 . 0 0 "[ . 1 . 2]" 1
1219 1 68 ALA MB 1 71 VAL MG2 . . 3.770 3.202 3.045 3.626 . 0 0 "[ . 1 . 2]" 1
1220 1 68 ALA MB 1 73 VAL QG . . 4.120 2.966 2.442 3.783 . 0 0 "[ . 1 . 2]" 1
1221 1 69 SER H 1 69 SER HB2 . . 3.770 2.455 2.217 2.790 . 0 0 "[ . 1 . 2]" 1
1222 1 69 SER H 1 69 SER QB . . 3.130 2.357 2.163 2.700 . 0 0 "[ . 1 . 2]" 1
1223 1 69 SER H 1 69 SER HB3 . . 3.770 3.155 2.628 3.619 . 0 0 "[ . 1 . 2]" 1
1224 1 69 SER H 1 70 TYR H . . 3.620 2.822 2.483 2.997 . 0 0 "[ . 1 . 2]" 1
1225 1 69 SER H 1 70 TYR QD . . 4.450 3.666 2.670 4.148 . 0 0 "[ . 1 . 2]" 1
1226 1 69 SER HA 1 71 VAL H . . 4.620 4.479 4.144 4.622 0.002 16 0 "[ . 1 . 2]" 1
1227 1 70 TYR H 1 70 TYR HB2 . . 3.320 2.358 2.254 2.605 . 0 0 "[ . 1 . 2]" 1
1228 1 70 TYR H 1 70 TYR HB3 . . 3.760 3.598 3.540 3.757 . 0 0 "[ . 1 . 2]" 1
1229 1 70 TYR H 1 70 TYR QD . . 3.440 2.197 1.899 2.597 . 0 0 "[ . 1 . 2]" 1
1230 1 70 TYR H 1 70 TYR QE . . 4.910 4.539 4.263 4.908 . 0 0 "[ . 1 . 2]" 1
1231 1 70 TYR H 1 71 VAL H . . 3.200 2.341 1.805 2.705 . 0 0 "[ . 1 . 2]" 1
1232 1 70 TYR H 1 71 VAL MG1 . . 4.330 4.065 3.778 4.330 . 11 0 "[ . 1 . 2]" 1
1233 1 70 TYR H 1 71 VAL MG2 . . 4.290 3.821 3.289 4.172 . 0 0 "[ . 1 . 2]" 1
1234 1 70 TYR HB2 1 71 VAL H . . 4.190 2.766 2.637 3.147 . 0 0 "[ . 1 . 2]" 1
1235 1 70 TYR HB2 1 71 VAL MG1 . . 4.000 2.956 2.800 3.072 . 0 0 "[ . 1 . 2]" 1
1236 1 70 TYR HB3 1 71 VAL H . . 4.410 3.558 3.382 3.992 . 0 0 "[ . 1 . 2]" 1
1237 1 70 TYR HB3 1 71 VAL MG1 . . 4.030 3.198 3.004 3.405 . 0 0 "[ . 1 . 2]" 1
1238 1 70 TYR QD 1 71 VAL H . . 5.160 4.213 4.103 4.328 . 0 0 "[ . 1 . 2]" 1
1239 1 71 VAL H 1 71 VAL MG1 . . 3.560 2.477 2.195 2.833 . 0 0 "[ . 1 . 2]" 1
1240 1 71 VAL H 1 71 VAL MG2 . . 3.000 2.172 1.979 2.331 . 0 0 "[ . 1 . 2]" 1
1241 1 71 VAL H 1 72 GLN H . . 4.580 4.517 4.470 4.546 . 0 0 "[ . 1 . 2]" 1
1242 1 71 VAL HA 1 71 VAL MG1 . . 3.170 2.418 2.302 2.526 . 0 0 "[ . 1 . 2]" 1
1243 1 71 VAL HA 1 72 GLN H . . 3.170 2.458 2.350 2.491 . 0 0 "[ . 1 . 2]" 1
1244 1 71 VAL HB 1 72 GLN H . . 3.270 2.309 2.223 2.540 . 0 0 "[ . 1 . 2]" 1
1245 1 71 VAL MG1 1 72 GLN H . . 3.840 3.734 3.669 3.836 . 0 0 "[ . 1 . 2]" 1
1246 1 71 VAL MG2 1 72 GLN H . . 3.800 3.159 2.864 3.415 . 0 0 "[ . 1 . 2]" 1
1247 1 72 GLN H 1 72 GLN HB2 . . 3.730 3.054 2.874 3.168 . 0 0 "[ . 1 . 2]" 1
1248 1 72 GLN H 1 72 GLN HB3 . . 3.530 2.498 2.426 2.617 . 0 0 "[ . 1 . 2]" 1
1249 1 72 GLN H 1 72 GLN HG2 . . 4.880 4.536 4.242 4.760 . 0 0 "[ . 1 . 2]" 1
1250 1 72 GLN H 1 72 GLN HG3 . . 4.880 4.497 4.200 4.817 . 0 0 "[ . 1 . 2]" 1
1251 1 72 GLN HB2 1 73 VAL H . . 4.300 4.204 4.083 4.299 . 0 0 "[ . 1 . 2]" 1
1252 1 72 GLN QG 1 74 SER H . . 5.340 4.216 3.796 5.039 . 0 0 "[ . 1 . 2]" 1
1253 1 72 GLN HG2 1 73 VAL H . . 4.670 3.846 2.594 4.629 . 0 0 "[ . 1 . 2]" 1
1254 1 72 GLN HG3 1 73 VAL H . . 4.670 3.265 2.864 4.294 . 0 0 "[ . 1 . 2]" 1
1255 1 73 VAL H 1 73 VAL HB . . 3.230 2.588 2.466 2.991 . 0 0 "[ . 1 . 2]" 1
1256 1 73 VAL H 1 73 VAL MG1 . . 4.040 3.405 1.864 3.794 . 0 0 "[ . 1 . 2]" 1
1257 1 73 VAL H 1 73 VAL QG . . 3.200 2.363 1.860 2.705 . 0 0 "[ . 1 . 2]" 1
1258 1 73 VAL H 1 73 VAL MG2 . . 4.040 2.774 2.331 3.819 . 0 0 "[ . 1 . 2]" 1
1259 1 73 VAL HA 1 73 VAL MG1 . . 3.210 2.519 2.295 3.189 . 0 0 "[ . 1 . 2]" 1
1260 1 73 VAL HA 1 73 VAL MG2 . . 3.210 2.300 2.223 2.430 . 0 0 "[ . 1 . 2]" 1
1261 1 73 VAL HA 1 74 SER H . . 2.990 2.144 2.139 2.156 . 0 0 "[ . 1 . 2]" 1
1262 1 73 VAL HA 1 75 ARG H . . 3.930 3.819 3.669 3.925 . 0 0 "[ . 1 . 2]" 1
1263 1 73 VAL QG 1 74 SER H . . 3.320 2.603 2.442 2.891 . 0 0 "[ . 1 . 2]" 1
1264 1 73 VAL QG 1 75 ARG H . . 3.180 2.798 2.271 3.136 . 0 0 "[ . 1 . 2]" 1
1265 1 73 VAL QG 1 75 ARG HA . . 4.680 3.900 3.620 4.133 . 0 0 "[ . 1 . 2]" 1
1266 1 73 VAL QG 1 76 GLU H . . 4.090 3.295 2.532 4.061 . 0 0 "[ . 1 . 2]" 1
1267 1 73 VAL QG 1 76 GLU HA . . 3.370 2.861 1.983 3.340 . 0 0 "[ . 1 . 2]" 1
1268 1 73 VAL QG 1 76 GLU QG . . 3.430 2.210 1.801 2.942 . 0 0 "[ . 1 . 2]" 1
1269 1 73 VAL QG 1 77 PRO HD2 . . 4.420 4.027 3.233 4.396 . 0 0 "[ . 1 . 2]" 1
1270 1 73 VAL MG1 1 74 SER H . . 4.440 2.942 2.462 4.123 . 0 0 "[ . 1 . 2]" 1
1271 1 73 VAL MG2 1 74 SER H . . 4.440 3.764 2.472 4.134 . 0 0 "[ . 1 . 2]" 1
1272 1 74 SER H 1 74 SER QB . . 3.630 2.442 2.291 2.888 . 0 0 "[ . 1 . 2]" 1
1273 1 74 SER H 1 75 ARG H . . 2.930 2.132 1.988 2.314 . 0 0 "[ . 1 . 2]" 1
1274 1 74 SER H 1 75 ARG QB . . 4.740 4.386 4.152 4.532 . 0 0 "[ . 1 . 2]" 1
1275 1 74 SER QB 1 75 ARG H . . 3.460 2.670 2.496 3.384 . 0 0 "[ . 1 . 2]" 1
1276 1 74 SER QB 1 75 ARG QG . . 5.330 5.054 3.236 5.318 . 0 0 "[ . 1 . 2]" 1
1277 1 75 ARG H 1 75 ARG HB2 . . 3.760 3.191 2.596 3.410 . 0 0 "[ . 1 . 2]" 1
1278 1 75 ARG H 1 75 ARG QB . . 3.190 2.622 2.512 2.789 . 0 0 "[ . 1 . 2]" 1
1279 1 75 ARG H 1 75 ARG HB3 . . 3.760 2.874 2.602 3.708 . 0 0 "[ . 1 . 2]" 1
1280 1 75 ARG H 1 75 ARG QG . . 4.320 4.057 3.459 4.201 . 0 0 "[ . 1 . 2]" 1
1281 1 75 ARG H 1 76 GLU H . . 4.500 3.893 3.633 4.238 . 0 0 "[ . 1 . 2]" 1
1282 1 75 ARG HA 1 75 ARG QD . . 4.240 3.572 2.190 4.212 . 0 0 "[ . 1 . 2]" 1
1283 1 75 ARG HA 1 75 ARG QG . . 3.360 2.523 2.168 3.033 . 0 0 "[ . 1 . 2]" 1
1284 1 75 ARG HA 1 76 GLU H . . 2.950 2.193 2.143 2.313 . 0 0 "[ . 1 . 2]" 1
1285 1 75 ARG QB 1 75 ARG QD . . 3.100 2.211 2.020 2.610 . 0 0 "[ . 1 . 2]" 1
1286 1 75 ARG QB 1 76 GLU H . . 4.070 3.894 3.295 4.045 . 0 0 "[ . 1 . 2]" 1
1287 1 75 ARG HB2 1 75 ARG QD . . 3.660 2.429 2.088 2.707 . 0 0 "[ . 1 . 2]" 1
1288 1 75 ARG HB2 1 76 GLU H . . 4.710 4.460 4.177 4.606 . 0 0 "[ . 1 . 2]" 1
1289 1 75 ARG HB3 1 75 ARG QD . . 3.660 2.755 2.093 3.460 . 0 0 "[ . 1 . 2]" 1
1290 1 75 ARG HB3 1 76 GLU H . . 4.710 4.322 3.405 4.531 . 0 0 "[ . 1 . 2]" 1
1291 1 75 ARG QG 1 76 GLU H . . 3.900 3.452 2.751 3.824 . 0 0 "[ . 1 . 2]" 1
1292 1 76 GLU H 1 76 GLU HB2 . . 3.270 2.467 2.299 2.581 . 0 0 "[ . 1 . 2]" 1
1293 1 76 GLU H 1 76 GLU HB3 . . 3.750 3.589 3.550 3.605 . 0 0 "[ . 1 . 2]" 1
1294 1 76 GLU H 1 76 GLU HG2 . . 3.930 3.661 2.454 3.916 . 0 0 "[ . 1 . 2]" 1
1295 1 76 GLU H 1 76 GLU QG . . 3.360 2.600 2.133 3.119 . 0 0 "[ . 1 . 2]" 1
1296 1 76 GLU H 1 76 GLU HG3 . . 3.930 2.732 2.149 3.626 . 0 0 "[ . 1 . 2]" 1
1297 1 76 GLU HA 1 76 GLU HG2 . . 4.020 3.077 2.398 3.650 . 0 0 "[ . 1 . 2]" 1
1298 1 76 GLU HA 1 76 GLU HG3 . . 4.020 2.695 2.326 3.700 . 0 0 "[ . 1 . 2]" 1
1299 1 76 GLU HA 1 77 PRO HD2 . . 3.530 2.279 2.175 2.435 . 0 0 "[ . 1 . 2]" 1
1300 1 76 GLU HA 1 77 PRO HD3 . . 3.490 2.264 2.251 2.311 . 0 0 "[ . 1 . 2]" 1
1301 1 76 GLU HB2 1 77 PRO HD2 . . 4.150 3.812 3.595 3.952 . 0 0 "[ . 1 . 2]" 1
1302 1 76 GLU HB3 1 77 PRO HD2 . . 3.890 2.300 2.000 2.496 . 0 0 "[ . 1 . 2]" 1
1303 1 76 GLU HB3 1 77 PRO HD3 . . 4.530 3.704 3.449 3.869 . 0 0 "[ . 1 . 2]" 1
1304 1 76 GLU QG 1 77 PRO HD2 . . 4.110 3.244 2.724 3.756 . 0 0 "[ . 1 . 2]" 1
1305 1 76 GLU HG2 1 77 PRO HD2 . . 4.730 3.629 2.765 4.167 . 0 0 "[ . 1 . 2]" 1
1306 1 76 GLU HG3 1 77 PRO HD2 . . 4.730 3.957 3.230 4.626 . 0 0 "[ . 1 . 2]" 1
1307 1 77 PRO HA 1 78 ARG H . . 3.080 2.412 2.157 2.723 . 0 0 "[ . 1 . 2]" 1
1308 1 77 PRO QB 1 78 ARG H . . 3.660 2.584 1.889 3.511 . 0 0 "[ . 1 . 2]" 1
1309 1 77 PRO QB 1 79 LEU QD . . 3.950 2.626 1.868 3.797 . 0 0 "[ . 1 . 2]" 1
1310 1 77 PRO HB2 1 78 ARG H . . 4.240 2.682 1.904 3.778 . 0 0 "[ . 1 . 2]" 1
1311 1 77 PRO HB3 1 78 ARG H . . 4.240 3.521 3.148 4.172 . 0 0 "[ . 1 . 2]" 1
1312 1 77 PRO QG 1 79 LEU QD . . 4.380 3.179 2.254 4.316 . 0 0 "[ . 1 . 2]" 1
1313 1 78 ARG H 1 78 ARG HB2 . . 3.720 3.087 2.359 3.732 0.012 20 0 "[ . 1 . 2]" 1
1314 1 78 ARG H 1 78 ARG HB3 . . 3.720 2.645 2.214 2.988 . 0 0 "[ . 1 . 2]" 1
1315 1 78 ARG H 1 79 LEU QD . . 4.430 3.334 2.453 4.334 . 0 0 "[ . 1 . 2]" 1
1316 1 78 ARG QB 1 78 ARG QD . . 3.250 2.278 2.036 2.710 . 0 0 "[ . 1 . 2]" 1
1317 1 78 ARG QD 1 79 LEU H . . 4.680 3.079 2.001 3.891 . 0 0 "[ . 1 . 2]" 1
1318 1 78 ARG QD 1 79 LEU QD . . 3.910 3.782 3.354 3.911 0.001 10 0 "[ . 1 . 2]" 1
1319 1 78 ARG QG 1 80 ARG H . . 4.360 3.067 1.895 4.300 . 0 0 "[ . 1 . 2]" 1
1320 1 78 ARG QG 1 80 ARG HA . . 4.350 4.012 3.456 4.380 0.030 7 0 "[ . 1 . 2]" 1
1321 1 78 ARG QG 1 81 LEU H . . 4.200 3.536 1.931 4.200 0.000 5 0 "[ . 1 . 2]" 1
1322 1 79 LEU H 1 79 LEU QB . . 3.600 2.544 2.225 3.065 . 0 0 "[ . 1 . 2]" 1
1323 1 79 LEU H 1 79 LEU QD . . 3.580 2.379 1.811 3.386 . 0 0 "[ . 1 . 2]" 1
1324 1 79 LEU H 1 79 LEU HG . . 4.450 4.080 2.366 4.440 . 0 0 "[ . 1 . 2]" 1
1325 1 79 LEU HA 1 79 LEU QD . . 3.370 2.207 1.894 3.054 . 0 0 "[ . 1 . 2]" 1
1326 1 79 LEU QB 1 80 ARG H . . 4.360 3.259 2.244 3.890 . 0 0 "[ . 1 . 2]" 1
1327 1 79 LEU QD 1 80 ARG H . . 4.250 3.839 2.957 4.250 . 0 0 "[ . 1 . 2]" 1
1328 1 80 ARG H 1 80 ARG QB . . 3.680 2.836 2.209 3.368 . 0 0 "[ . 1 . 2]" 1
1329 1 80 ARG H 1 81 LEU H . . 4.160 3.102 2.219 4.072 . 0 0 "[ . 1 . 2]" 1
1330 1 80 ARG H 1 81 LEU HG . . 5.180 4.793 2.760 5.201 0.021 5 0 "[ . 1 . 2]" 1
1331 1 80 ARG H 1 82 CYS H . . 5.300 4.889 3.259 5.303 0.003 5 0 "[ . 1 . 2]" 1
1332 1 80 ARG HA 1 81 LEU H . . 3.460 2.670 2.141 3.459 . 0 0 "[ . 1 . 2]" 1
1333 1 80 ARG HA 1 81 LEU QB . . 5.270 4.697 4.169 5.259 . 0 0 "[ . 1 . 2]" 1
1334 1 80 ARG QB 1 81 LEU H . . 4.390 3.732 2.916 4.046 . 0 0 "[ . 1 . 2]" 1
1335 1 81 LEU H 1 81 LEU HB2 . . 3.870 2.870 2.176 3.773 . 0 0 "[ . 1 . 2]" 1
1336 1 81 LEU H 1 81 LEU QB . . 3.380 2.526 2.153 3.259 . 0 0 "[ . 1 . 2]" 1
1337 1 81 LEU H 1 81 LEU HB3 . . 3.870 3.348 2.174 3.877 0.007 9 0 "[ . 1 . 2]" 1
1338 1 81 LEU H 1 81 LEU MD1 . . 5.200 3.157 1.922 4.216 . 0 0 "[ . 1 . 2]" 1
1339 1 81 LEU H 1 81 LEU QD . . 4.250 2.707 1.873 3.647 . 0 0 "[ . 1 . 2]" 1
1340 1 81 LEU H 1 81 LEU MD2 . . 5.200 3.641 1.877 4.357 . 0 0 "[ . 1 . 2]" 1
1341 1 81 LEU H 1 81 LEU HG . . 3.920 2.839 1.898 3.921 0.001 15 0 "[ . 1 . 2]" 1
1342 1 81 LEU HA 1 81 LEU QD . . 3.630 2.823 2.150 3.409 . 0 0 "[ . 1 . 2]" 1
1343 1 81 LEU QD 1 82 CYS H . . 4.600 3.928 2.574 4.570 . 0 0 "[ . 1 . 2]" 1
1344 1 81 LEU MD1 1 82 CYS H . . 5.500 4.512 2.610 5.500 0.000 10 0 "[ . 1 . 2]" 1
1345 1 81 LEU MD2 1 82 CYS H . . 5.500 4.633 3.686 5.561 0.061 9 0 "[ . 1 . 2]" 1
1346 1 81 LEU HG 1 82 CYS H . . 5.370 4.281 2.129 5.014 . 0 0 "[ . 1 . 2]" 1
1347 1 83 ASP QB 1 84 ASP H . . 4.100 3.289 2.229 3.973 . 0 0 "[ . 1 . 2]" 1
1348 1 84 ASP QB 1 85 SER H . . 4.190 3.128 2.182 4.011 . 0 0 "[ . 1 . 2]" 1
1349 1 85 SER H 1 85 SER QB . . 3.620 2.662 2.180 3.210 . 0 0 "[ . 1 . 2]" 1
1350 1 86 GLY QA 1 87 PRO QD . . 2.930 2.014 1.868 2.280 . 0 0 "[ . 1 . 2]" 1
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