NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404465 |
1x0n   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x0n
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 1514
_Distance_constraint_stats_list.Viol_count 551
_Distance_constraint_stats_list.Viol_total 154.835
_Distance_constraint_stats_list.Viol_max 0.155
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0141
_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 5 TRP 1.029 0.155 20 0 "[ . 1 . 2]"
1 6 PHE 0.057 0.010 16 0 "[ . 1 . 2]"
1 7 PHE 0.092 0.020 18 0 "[ . 1 . 2]"
1 8 GLY 0.118 0.028 15 0 "[ . 1 . 2]"
1 9 LYS 0.162 0.048 2 0 "[ . 1 . 2]"
1 10 ILE 0.093 0.020 18 0 "[ . 1 . 2]"
1 11 PRO 0.243 0.037 9 0 "[ . 1 . 2]"
1 12 ARG 0.181 0.038 9 0 "[ . 1 . 2]"
1 13 ALA 0.292 0.038 9 0 "[ . 1 . 2]"
1 14 LYS 0.167 0.036 6 0 "[ . 1 . 2]"
1 15 ALA 0.219 0.038 19 0 "[ . 1 . 2]"
1 16 GLU 0.310 0.043 19 0 "[ . 1 . 2]"
1 17 GLU 0.005 0.003 12 0 "[ . 1 . 2]"
1 18 MET 0.098 0.022 19 0 "[ . 1 . 2]"
1 19 LEU 0.021 0.005 15 0 "[ . 1 . 2]"
1 20 SER 0.020 0.005 19 0 "[ . 1 . 2]"
1 21 LYS 0.020 0.015 10 0 "[ . 1 . 2]"
1 22 GLN 0.020 0.010 10 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 5 0 "[ . 1 . 2]"
1 24 HIS 0.000 0.000 5 0 "[ . 1 . 2]"
1 25 ASP 0.013 0.005 2 0 "[ . 1 . 2]"
1 26 GLY 0.041 0.014 10 0 "[ . 1 . 2]"
1 27 ALA 0.023 0.008 12 0 "[ . 1 . 2]"
1 28 PHE 0.080 0.016 4 0 "[ . 1 . 2]"
1 29 LEU 0.152 0.018 18 0 "[ . 1 . 2]"
1 30 ILE 0.496 0.040 4 0 "[ . 1 . 2]"
1 31 ARG 0.058 0.009 4 0 "[ . 1 . 2]"
1 32 GLU 0.005 0.005 14 0 "[ . 1 . 2]"
1 33 SER 0.032 0.008 6 0 "[ . 1 . 2]"
1 34 GLU 0.008 0.004 6 0 "[ . 1 . 2]"
1 35 SER 0.066 0.019 7 0 "[ . 1 . 2]"
1 36 ALA 0.047 0.014 7 0 "[ . 1 . 2]"
1 37 PRO 0.004 0.004 14 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.079 0.020 4 0 "[ . 1 . 2]"
1 40 PHE 0.153 0.024 20 0 "[ . 1 . 2]"
1 41 SER 0.055 0.013 2 0 "[ . 1 . 2]"
1 42 LEU 0.382 0.038 12 0 "[ . 1 . 2]"
1 43 SER 0.020 0.005 14 0 "[ . 1 . 2]"
1 44 VAL 0.075 0.016 4 0 "[ . 1 . 2]"
1 45 LYS 0.048 0.035 19 0 "[ . 1 . 2]"
1 46 PHE 0.354 0.035 17 0 "[ . 1 . 2]"
1 47 GLY 0.307 0.035 17 0 "[ . 1 . 2]"
1 48 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASP 0.002 0.002 4 0 "[ . 1 . 2]"
1 50 VAL 0.322 0.043 19 0 "[ . 1 . 2]"
1 51 GLN 0.003 0.003 4 0 "[ . 1 . 2]"
1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PHE 0.002 0.002 11 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 0.380 0.061 11 0 "[ . 1 . 2]"
1 56 LEU 0.032 0.016 11 0 "[ . 1 . 2]"
1 57 ARG 0.006 0.006 10 0 "[ . 1 . 2]"
1 58 ASP 0.037 0.022 11 0 "[ . 1 . 2]"
1 59 GLY 0.003 0.003 14 0 "[ . 1 . 2]"
1 60 ALA 0.045 0.029 1 0 "[ . 1 . 2]"
1 61 GLY 0.033 0.029 1 0 "[ . 1 . 2]"
1 62 LYS 0.016 0.011 9 0 "[ . 1 . 2]"
1 63 TYR 0.148 0.061 11 0 "[ . 1 . 2]"
1 64 PHE 0.115 0.061 11 0 "[ . 1 . 2]"
1 65 LEU 0.005 0.005 18 0 "[ . 1 . 2]"
1 66 TRP 0.027 0.011 14 0 "[ . 1 . 2]"
1 67 VAL 0.126 0.097 12 0 "[ . 1 . 2]"
1 68 VAL 0.379 0.074 16 0 "[ . 1 . 2]"
1 69 LYS 0.350 0.074 16 0 "[ . 1 . 2]"
1 70 PHE 0.016 0.009 5 0 "[ . 1 . 2]"
1 71 ASN 0.046 0.011 12 0 "[ . 1 . 2]"
1 72 SER 0.021 0.011 12 0 "[ . 1 . 2]"
1 73 LEU 0.257 0.063 14 0 "[ . 1 . 2]"
1 74 ASN 0.565 0.114 20 0 "[ . 1 . 2]"
1 75 GLU 0.086 0.034 20 0 "[ . 1 . 2]"
1 76 LEU 0.198 0.063 14 0 "[ . 1 . 2]"
1 77 VAL 0.525 0.155 20 0 "[ . 1 . 2]"
1 78 ASP 0.061 0.038 12 0 "[ . 1 . 2]"
1 79 TYR 0.004 0.002 9 0 "[ . 1 . 2]"
1 80 HIS 0.055 0.012 18 0 "[ . 1 . 2]"
1 81 ARG 0.011 0.008 20 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 THR 0.120 0.039 8 0 "[ . 1 . 2]"
1 84 SER 0.065 0.039 8 0 "[ . 1 . 2]"
1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 SER 0.006 0.006 20 0 "[ . 1 . 2]"
1 87 ARG 0.181 0.049 12 0 "[ . 1 . 2]"
1 88 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLN 0.049 0.042 7 0 "[ . 1 . 2]"
1 90 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ILE 0.073 0.036 14 0 "[ . 1 . 2]"
1 92 PHE 0.036 0.019 14 0 "[ . 1 . 2]"
1 93 LEU 0.042 0.014 10 0 "[ . 1 . 2]"
1 94 ARG 0.122 0.036 14 0 "[ . 1 . 2]"
1 95 ASP 0.083 0.013 9 0 "[ . 1 . 2]"
1 96 ILE 0.067 0.020 18 0 "[ . 1 . 2]"
1 97 GLU 0.698 0.152 1 0 "[ . 1 . 2]"
1 98 GLN 0.043 0.016 3 0 "[ . 1 . 2]"
1 99 VAL 1.051 0.081 11 0 "[ . 1 . 2]"
1 100 PRO 0.437 0.068 11 0 "[ . 1 . 2]"
1 101 GLN 0.102 0.032 11 0 "[ . 1 . 2]"
1 102 GLN 0.091 0.032 11 0 "[ . 1 . 2]"
1 103 PRO 0.026 0.010 8 0 "[ . 1 . 2]"
1 104 THR 0.028 0.010 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 TRP QB 1 77 VAL QG . . 4.310 3.924 3.246 4.465 0.155 20 0 "[ . 1 . 2]" 1
2 1 5 TRP HB2 1 5 TRP HD1 . . 3.840 3.350 2.554 3.763 . 0 0 "[ . 1 . 2]" 1
3 1 5 TRP HB3 1 5 TRP HD1 . . 3.840 2.896 2.551 3.675 . 0 0 "[ . 1 . 2]" 1
4 1 5 TRP HD1 1 77 VAL QG . . 4.960 3.726 3.156 4.326 . 0 0 "[ . 1 . 2]" 1
5 1 5 TRP HE1 1 74 ASN HA . . 4.320 4.085 3.704 4.316 . 0 0 "[ . 1 . 2]" 1
6 1 5 TRP HE1 1 74 ASN QB . . 4.310 4.300 4.108 4.371 0.061 20 0 "[ . 1 . 2]" 1
7 1 5 TRP HE1 1 77 VAL MG1 . . 4.200 3.498 2.015 4.201 0.001 5 0 "[ . 1 . 2]" 1
8 1 5 TRP HE1 1 77 VAL MG2 . . 4.200 3.288 1.867 4.192 . 0 0 "[ . 1 . 2]" 1
9 1 5 TRP HE3 1 6 PHE HA . . 4.700 2.712 2.518 2.871 . 0 0 "[ . 1 . 2]" 1
10 1 5 TRP HE3 1 6 PHE QB . . 4.400 2.541 1.892 3.062 . 0 0 "[ . 1 . 2]" 1
11 1 5 TRP HE3 1 6 PHE HD1 . . 4.760 4.626 4.411 4.761 0.001 12 0 "[ . 1 . 2]" 1
12 1 5 TRP HE3 1 30 ILE HB . . 4.820 2.929 2.410 3.621 . 0 0 "[ . 1 . 2]" 1
13 1 5 TRP HE3 1 30 ILE MD . . 4.010 3.300 2.765 4.015 0.005 18 0 "[ . 1 . 2]" 1
14 1 5 TRP HE3 1 30 ILE HG13 . . 4.500 3.622 2.857 4.515 0.015 4 0 "[ . 1 . 2]" 1
15 1 5 TRP HE3 1 30 ILE MG . . 5.110 4.349 3.948 4.839 . 0 0 "[ . 1 . 2]" 1
16 1 5 TRP HE3 1 73 LEU QD . . 5.330 4.784 4.458 5.237 . 0 0 "[ . 1 . 2]" 1
17 1 5 TRP HE3 1 77 VAL QG . . 5.440 3.876 3.452 4.239 . 0 0 "[ . 1 . 2]" 1
18 1 5 TRP HH2 1 30 ILE HB . . 5.350 5.153 4.557 5.354 0.004 12 0 "[ . 1 . 2]" 1
19 1 5 TRP HH2 1 30 ILE MD . . 4.230 3.353 2.190 3.826 . 0 0 "[ . 1 . 2]" 1
20 1 5 TRP HH2 1 30 ILE MG . . 5.500 4.978 4.235 5.268 . 0 0 "[ . 1 . 2]" 1
21 1 5 TRP HH2 1 73 LEU HB2 . . 4.200 2.602 2.001 2.978 . 0 0 "[ . 1 . 2]" 1
22 1 5 TRP HH2 1 73 LEU HB3 . . 4.200 2.550 2.028 3.205 . 0 0 "[ . 1 . 2]" 1
23 1 5 TRP HH2 1 73 LEU MD1 . . 4.740 3.241 2.957 3.487 . 0 0 "[ . 1 . 2]" 1
24 1 5 TRP HH2 1 73 LEU QD . . 4.010 3.154 2.922 3.356 . 0 0 "[ . 1 . 2]" 1
25 1 5 TRP HH2 1 73 LEU MD2 . . 4.740 4.413 3.869 4.741 0.001 2 0 "[ . 1 . 2]" 1
26 1 5 TRP HH2 1 74 ASN HA . . 3.980 3.382 3.184 3.661 . 0 0 "[ . 1 . 2]" 1
27 1 5 TRP HH2 1 74 ASN QB . . 4.590 3.933 3.517 4.558 . 0 0 "[ . 1 . 2]" 1
28 1 5 TRP HH2 1 77 VAL QG . . 4.940 3.256 2.440 3.536 . 0 0 "[ . 1 . 2]" 1
29 1 5 TRP HZ2 1 73 LEU HB2 . . 4.980 4.573 4.055 4.857 . 0 0 "[ . 1 . 2]" 1
30 1 5 TRP HZ2 1 73 LEU QB . . 4.340 3.994 3.740 4.170 . 0 0 "[ . 1 . 2]" 1
31 1 5 TRP HZ2 1 73 LEU HB3 . . 4.980 4.454 4.009 4.983 0.003 14 0 "[ . 1 . 2]" 1
32 1 5 TRP HZ2 1 74 ASN HA . . 3.390 2.105 1.908 2.380 . 0 0 "[ . 1 . 2]" 1
33 1 5 TRP HZ2 1 74 ASN HB2 . . 4.550 3.045 2.287 4.148 . 0 0 "[ . 1 . 2]" 1
34 1 5 TRP HZ2 1 74 ASN QB . . 3.780 2.689 2.236 3.547 . 0 0 "[ . 1 . 2]" 1
35 1 5 TRP HZ2 1 74 ASN HB3 . . 4.550 3.572 2.256 4.407 . 0 0 "[ . 1 . 2]" 1
36 1 5 TRP HZ2 1 77 VAL MG1 . . 4.360 3.735 2.045 4.313 . 0 0 "[ . 1 . 2]" 1
37 1 5 TRP HZ2 1 77 VAL MG2 . . 4.360 2.850 1.799 3.527 . 0 0 "[ . 1 . 2]" 1
38 1 5 TRP HZ3 1 6 PHE HA . . 4.290 3.927 3.570 4.245 . 0 0 "[ . 1 . 2]" 1
39 1 5 TRP HZ3 1 30 ILE H . . 5.040 4.763 4.380 5.080 0.040 4 0 "[ . 1 . 2]" 1
40 1 5 TRP HZ3 1 30 ILE HB . . 3.860 2.919 2.559 3.316 . 0 0 "[ . 1 . 2]" 1
41 1 5 TRP HZ3 1 30 ILE MD . . 3.820 2.489 2.190 2.940 . 0 0 "[ . 1 . 2]" 1
42 1 5 TRP HZ3 1 30 ILE HG12 . . 5.500 4.986 4.502 5.445 . 0 0 "[ . 1 . 2]" 1
43 1 5 TRP HZ3 1 30 ILE HG13 . . 4.700 4.118 3.535 4.554 . 0 0 "[ . 1 . 2]" 1
44 1 5 TRP HZ3 1 30 ILE MG . . 4.310 3.389 2.997 3.749 . 0 0 "[ . 1 . 2]" 1
45 1 5 TRP HZ3 1 73 LEU QB . . 5.340 3.306 2.903 3.631 . 0 0 "[ . 1 . 2]" 1
46 1 5 TRP HZ3 1 73 LEU MD1 . . 5.030 2.919 2.650 3.342 . 0 0 "[ . 1 . 2]" 1
47 1 5 TRP HZ3 1 73 LEU QD . . 3.830 2.887 2.635 3.297 . 0 0 "[ . 1 . 2]" 1
48 1 5 TRP HZ3 1 73 LEU MD2 . . 5.030 4.623 4.169 5.035 0.005 14 0 "[ . 1 . 2]" 1
49 1 5 TRP HZ3 1 74 ASN HA . . 5.500 5.483 5.362 5.614 0.114 20 0 "[ . 1 . 2]" 1
50 1 6 PHE HA 1 6 PHE HD1 . . 3.560 2.692 2.597 2.845 . 0 0 "[ . 1 . 2]" 1
51 1 6 PHE HA 1 6 PHE QE . . 5.060 4.834 4.766 4.932 . 0 0 "[ . 1 . 2]" 1
52 1 6 PHE HA 1 7 PHE H . . 3.270 2.254 2.194 2.301 . 0 0 "[ . 1 . 2]" 1
53 1 6 PHE HA 1 7 PHE QB . . 4.890 4.067 3.941 4.202 . 0 0 "[ . 1 . 2]" 1
54 1 6 PHE HA 1 29 LEU QD . . 5.440 4.315 3.949 4.757 . 0 0 "[ . 1 . 2]" 1
55 1 6 PHE HA 1 30 ILE H . . 4.090 2.971 2.714 3.398 . 0 0 "[ . 1 . 2]" 1
56 1 6 PHE HA 1 30 ILE MG . . 4.650 4.020 3.817 4.267 . 0 0 "[ . 1 . 2]" 1
57 1 6 PHE HD1 1 7 PHE H . . 4.170 2.088 1.930 2.411 . 0 0 "[ . 1 . 2]" 1
58 1 6 PHE HD1 1 8 GLY H . . 5.500 5.416 5.239 5.508 0.008 14 0 "[ . 1 . 2]" 1
59 1 6 PHE HD1 1 30 ILE HB . . 4.240 3.510 3.303 3.714 . 0 0 "[ . 1 . 2]" 1
60 1 6 PHE HD1 1 30 ILE MD . . 5.110 5.050 4.968 5.118 0.008 14 0 "[ . 1 . 2]" 1
61 1 6 PHE HD1 1 30 ILE MG . . 3.680 3.343 2.988 3.491 . 0 0 "[ . 1 . 2]" 1
62 1 6 PHE QE 1 7 PHE H . . 4.270 3.518 3.328 3.735 . 0 0 "[ . 1 . 2]" 1
63 1 6 PHE QE 1 8 GLY H . . 4.370 4.263 3.855 4.380 0.010 16 0 "[ . 1 . 2]" 1
64 1 6 PHE QE 1 8 GLY HA2 . . 4.630 3.010 2.889 3.170 . 0 0 "[ . 1 . 2]" 1
65 1 6 PHE QE 1 8 GLY HA3 . . 4.440 4.294 3.919 4.445 0.005 7 0 "[ . 1 . 2]" 1
66 1 6 PHE HZ 1 8 GLY HA3 . . 4.620 3.853 3.469 4.174 . 0 0 "[ . 1 . 2]" 1
67 1 7 PHE H 1 7 PHE HB2 . . 3.960 2.592 2.500 2.684 . 0 0 "[ . 1 . 2]" 1
68 1 7 PHE H 1 7 PHE QB . . 3.460 2.541 2.458 2.624 . 0 0 "[ . 1 . 2]" 1
69 1 7 PHE H 1 7 PHE HB3 . . 3.960 3.664 3.574 3.753 . 0 0 "[ . 1 . 2]" 1
70 1 7 PHE H 1 7 PHE HD1 . . 3.930 3.287 2.834 3.744 . 0 0 "[ . 1 . 2]" 1
71 1 7 PHE H 1 8 GLY H . . 4.600 4.346 4.210 4.433 . 0 0 "[ . 1 . 2]" 1
72 1 7 PHE H 1 8 GLY HA2 . . 5.040 4.880 4.729 5.051 0.011 19 0 "[ . 1 . 2]" 1
73 1 7 PHE H 1 29 LEU MD1 . . 5.200 4.757 4.358 4.984 . 0 0 "[ . 1 . 2]" 1
74 1 7 PHE H 1 29 LEU QD . . 4.370 3.961 3.663 4.240 . 0 0 "[ . 1 . 2]" 1
75 1 7 PHE H 1 29 LEU MD2 . . 5.200 4.253 3.806 4.729 . 0 0 "[ . 1 . 2]" 1
76 1 7 PHE H 1 30 ILE H . . 4.400 4.333 4.205 4.407 0.007 20 0 "[ . 1 . 2]" 1
77 1 7 PHE H 1 30 ILE HB . . 4.990 4.130 3.886 4.315 . 0 0 "[ . 1 . 2]" 1
78 1 7 PHE H 1 30 ILE MG . . 4.610 4.278 4.116 4.512 . 0 0 "[ . 1 . 2]" 1
79 1 7 PHE H 1 31 ARG H . . 5.140 4.789 4.642 4.938 . 0 0 "[ . 1 . 2]" 1
80 1 7 PHE HA 1 7 PHE HD1 . . 4.010 3.372 3.238 3.491 . 0 0 "[ . 1 . 2]" 1
81 1 7 PHE HA 1 10 ILE MG . . 4.550 4.145 3.821 4.486 . 0 0 "[ . 1 . 2]" 1
82 1 7 PHE QB 1 7 PHE HD1 . . 3.230 2.529 2.431 2.633 . 0 0 "[ . 1 . 2]" 1
83 1 7 PHE QB 1 8 GLY H . . 4.220 3.096 2.756 3.409 . 0 0 "[ . 1 . 2]" 1
84 1 7 PHE QB 1 10 ILE MD . . 3.920 2.942 2.316 3.507 . 0 0 "[ . 1 . 2]" 1
85 1 7 PHE QB 1 29 LEU HG . . 5.340 3.101 2.676 3.679 . 0 0 "[ . 1 . 2]" 1
86 1 7 PHE HB2 1 10 ILE MD . . 4.560 3.253 2.447 3.894 . 0 0 "[ . 1 . 2]" 1
87 1 7 PHE HB2 1 10 ILE MG . . 3.890 3.580 2.999 3.910 0.020 18 0 "[ . 1 . 2]" 1
88 1 7 PHE HB3 1 10 ILE MD . . 4.560 3.397 2.779 3.981 . 0 0 "[ . 1 . 2]" 1
89 1 7 PHE HB3 1 10 ILE MG . . 3.890 2.223 1.868 2.543 . 0 0 "[ . 1 . 2]" 1
90 1 7 PHE HD1 1 8 GLY H . . 5.500 5.439 5.343 5.506 0.006 10 0 "[ . 1 . 2]" 1
91 1 7 PHE HD1 1 10 ILE MG . . 5.360 5.120 4.690 5.369 0.009 5 0 "[ . 1 . 2]" 1
92 1 7 PHE HD1 1 29 LEU QB . . 4.430 4.084 3.708 4.426 . 0 0 "[ . 1 . 2]" 1
93 1 7 PHE HD1 1 29 LEU MD1 . . 3.870 2.469 2.021 2.894 . 0 0 "[ . 1 . 2]" 1
94 1 7 PHE HD1 1 29 LEU MD2 . . 3.870 3.672 3.228 3.879 0.009 5 0 "[ . 1 . 2]" 1
95 1 7 PHE HD1 1 29 LEU HG . . 3.170 2.436 2.013 2.915 . 0 0 "[ . 1 . 2]" 1
96 1 7 PHE HD1 1 30 ILE H . . 4.630 4.325 3.894 4.630 . 0 0 "[ . 1 . 2]" 1
97 1 8 GLY H 1 9 LYS H . . 4.470 4.006 3.449 4.468 . 0 0 "[ . 1 . 2]" 1
98 1 8 GLY H 1 10 ILE MG . . 4.340 3.691 3.119 4.292 . 0 0 "[ . 1 . 2]" 1
99 1 8 GLY HA2 1 9 LYS QB . . 5.500 4.838 4.157 5.273 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLY HA2 1 9 LYS QE . . 3.690 3.403 2.859 3.689 . 0 0 "[ . 1 . 2]" 1
101 1 8 GLY HA3 1 9 LYS H . . 3.400 2.595 2.135 3.428 0.028 15 0 "[ . 1 . 2]" 1
102 1 8 GLY HA3 1 9 LYS QB . . 4.530 4.323 4.054 4.541 0.011 4 0 "[ . 1 . 2]" 1
103 1 9 LYS H 1 9 LYS QB . . 3.560 2.798 2.090 3.461 . 0 0 "[ . 1 . 2]" 1
104 1 9 LYS H 1 9 LYS QE . . 4.220 2.910 1.913 4.221 0.001 18 0 "[ . 1 . 2]" 1
105 1 9 LYS H 1 9 LYS HG2 . . 4.330 3.308 2.027 4.378 0.048 2 0 "[ . 1 . 2]" 1
106 1 9 LYS H 1 9 LYS QG . . 3.700 2.767 2.017 3.567 . 0 0 "[ . 1 . 2]" 1
107 1 9 LYS H 1 9 LYS HG3 . . 4.330 3.574 2.710 4.278 . 0 0 "[ . 1 . 2]" 1
108 1 9 LYS H 1 10 ILE H . . 4.370 3.922 3.188 4.312 . 0 0 "[ . 1 . 2]" 1
109 1 9 LYS H 1 10 ILE MG . . 4.230 3.703 3.132 4.173 . 0 0 "[ . 1 . 2]" 1
110 1 9 LYS HA 1 9 LYS QE . . 3.980 3.251 2.356 3.844 . 0 0 "[ . 1 . 2]" 1
111 1 9 LYS HA 1 9 LYS QG . . 3.600 2.644 2.046 3.355 . 0 0 "[ . 1 . 2]" 1
112 1 9 LYS HA 1 10 ILE H . . 2.970 2.199 2.150 2.294 . 0 0 "[ . 1 . 2]" 1
113 1 9 LYS HA 1 10 ILE MG . . 4.530 3.996 3.796 4.200 . 0 0 "[ . 1 . 2]" 1
114 1 9 LYS QB 1 34 GLU QB . . 4.740 3.367 2.411 4.324 . 0 0 "[ . 1 . 2]" 1
115 1 9 LYS QD 1 9 LYS QE . . 2.390 2.048 2.025 2.082 . 0 0 "[ . 1 . 2]" 1
116 1 9 LYS QD 1 34 GLU H . . 4.950 4.173 3.473 4.915 . 0 0 "[ . 1 . 2]" 1
117 1 9 LYS QD 1 34 GLU HA . . 2.970 2.055 1.877 2.310 . 0 0 "[ . 1 . 2]" 1
118 1 9 LYS QD 1 34 GLU QB . . 4.980 2.733 1.934 3.928 . 0 0 "[ . 1 . 2]" 1
119 1 9 LYS QD 1 34 GLU QG . . 4.090 3.602 2.675 4.093 0.003 2 0 "[ . 1 . 2]" 1
120 1 9 LYS HD2 1 9 LYS QE . . 2.760 2.473 2.185 2.525 . 0 0 "[ . 1 . 2]" 1
121 1 9 LYS HD2 1 34 GLU HA . . 3.830 2.889 2.024 3.834 0.004 6 0 "[ . 1 . 2]" 1
122 1 9 LYS HD3 1 9 LYS QE . . 2.760 2.196 2.141 2.501 . 0 0 "[ . 1 . 2]" 1
123 1 9 LYS HD3 1 34 GLU HA . . 3.830 2.364 1.999 3.567 . 0 0 "[ . 1 . 2]" 1
124 1 9 LYS QE 1 9 LYS HG2 . . 3.540 2.500 1.969 3.293 . 0 0 "[ . 1 . 2]" 1
125 1 9 LYS QE 1 9 LYS QG . . 2.960 2.113 1.952 2.325 . 0 0 "[ . 1 . 2]" 1
126 1 9 LYS QE 1 9 LYS HG3 . . 3.540 2.851 2.046 3.341 . 0 0 "[ . 1 . 2]" 1
127 1 9 LYS QE 1 10 ILE H . . 5.500 5.037 4.200 5.497 . 0 0 "[ . 1 . 2]" 1
128 1 9 LYS QE 1 34 GLU HA . . 3.650 3.258 2.263 3.650 . 5 0 "[ . 1 . 2]" 1
129 1 9 LYS QG 1 34 GLU HA . . 4.150 3.161 1.894 4.111 . 0 0 "[ . 1 . 2]" 1
130 1 9 LYS HG2 1 34 GLU HA . . 5.020 3.714 2.004 4.998 . 0 0 "[ . 1 . 2]" 1
131 1 9 LYS HG3 1 34 GLU HA . . 5.020 3.529 2.095 4.653 . 0 0 "[ . 1 . 2]" 1
132 1 10 ILE H 1 10 ILE MD . . 4.150 3.836 3.458 4.023 . 0 0 "[ . 1 . 2]" 1
133 1 10 ILE H 1 10 ILE QG . . 3.230 2.194 2.075 2.329 . 0 0 "[ . 1 . 2]" 1
134 1 10 ILE H 1 10 ILE MG . . 3.220 3.054 2.827 3.181 . 0 0 "[ . 1 . 2]" 1
135 1 10 ILE H 1 11 PRO HD2 . . 4.970 4.788 4.722 4.819 . 0 0 "[ . 1 . 2]" 1
136 1 10 ILE H 1 11 PRO HD3 . . 4.820 4.654 4.443 4.826 0.006 6 0 "[ . 1 . 2]" 1
137 1 10 ILE H 1 31 ARG HA . . 5.220 4.990 4.425 5.221 0.001 12 0 "[ . 1 . 2]" 1
138 1 10 ILE H 1 31 ARG HB2 . . 4.540 3.159 2.583 3.812 . 0 0 "[ . 1 . 2]" 1
139 1 10 ILE H 1 31 ARG QB . . 3.780 3.085 2.550 3.627 . 0 0 "[ . 1 . 2]" 1
140 1 10 ILE H 1 31 ARG HB3 . . 4.540 4.365 3.946 4.547 0.007 2 0 "[ . 1 . 2]" 1
141 1 10 ILE H 1 32 GLU H . . 4.380 4.152 3.837 4.385 0.005 14 0 "[ . 1 . 2]" 1
142 1 10 ILE HB 1 11 PRO HD2 . . 4.100 2.550 2.212 2.913 . 0 0 "[ . 1 . 2]" 1
143 1 10 ILE HB 1 11 PRO HD3 . . 4.180 3.912 3.634 4.197 0.017 12 0 "[ . 1 . 2]" 1
144 1 10 ILE HB 1 14 LYS QB . . 3.820 2.154 1.935 2.456 . 0 0 "[ . 1 . 2]" 1
145 1 10 ILE HB 1 14 LYS QG . . 3.840 3.084 2.509 3.511 . 0 0 "[ . 1 . 2]" 1
146 1 10 ILE HB 1 15 ALA H . . 4.060 3.867 3.551 4.063 0.003 19 0 "[ . 1 . 2]" 1
147 1 10 ILE HB 1 15 ALA MB . . 4.800 4.266 3.842 4.560 . 0 0 "[ . 1 . 2]" 1
148 1 10 ILE MD 1 10 ILE MG . . 3.330 2.841 2.506 3.139 . 0 0 "[ . 1 . 2]" 1
149 1 10 ILE MD 1 14 LYS H . . 4.570 4.214 3.636 4.545 . 0 0 "[ . 1 . 2]" 1
150 1 10 ILE MD 1 14 LYS QB . . 4.470 2.459 2.077 2.847 . 0 0 "[ . 1 . 2]" 1
151 1 10 ILE MD 1 15 ALA H . . 3.810 2.443 2.085 2.789 . 0 0 "[ . 1 . 2]" 1
152 1 10 ILE MD 1 15 ALA HA . . 3.460 2.674 2.273 3.144 . 0 0 "[ . 1 . 2]" 1
153 1 10 ILE MD 1 15 ALA MB . . 3.180 1.951 1.781 2.257 . 0 0 "[ . 1 . 2]" 1
154 1 10 ILE QG 1 15 ALA MB . . 4.950 3.703 3.517 3.955 . 0 0 "[ . 1 . 2]" 1
155 1 10 ILE QG 1 31 ARG HA . . 4.230 3.563 3.248 4.028 . 0 0 "[ . 1 . 2]" 1
156 1 10 ILE MG 1 11 PRO HD2 . . 3.590 3.293 3.118 3.532 . 0 0 "[ . 1 . 2]" 1
157 1 10 ILE MG 1 11 PRO HD3 . . 4.410 4.046 3.902 4.211 . 0 0 "[ . 1 . 2]" 1
158 1 10 ILE MG 1 14 LYS QB . . 4.530 3.245 2.977 3.427 . 0 0 "[ . 1 . 2]" 1
159 1 10 ILE MG 1 14 LYS QE . . 4.220 3.562 2.782 4.216 . 0 0 "[ . 1 . 2]" 1
160 1 10 ILE MG 1 14 LYS QG . . 3.470 3.047 2.408 3.448 . 0 0 "[ . 1 . 2]" 1
161 1 10 ILE MG 1 15 ALA H . . 5.500 5.092 4.837 5.263 . 0 0 "[ . 1 . 2]" 1
162 1 10 ILE MG 1 31 ARG QB . . 4.270 3.907 3.393 4.233 . 0 0 "[ . 1 . 2]" 1
163 1 10 ILE MG 1 32 GLU H . . 5.500 5.041 4.379 5.487 . 0 0 "[ . 1 . 2]" 1
164 1 11 PRO HA 1 12 ARG H . . 3.210 2.210 2.168 2.275 . 0 0 "[ . 1 . 2]" 1
165 1 11 PRO HA 1 13 ALA H . . 4.360 4.074 3.941 4.245 . 0 0 "[ . 1 . 2]" 1
166 1 11 PRO HA 1 13 ALA MB . . 5.460 5.007 4.883 5.161 . 0 0 "[ . 1 . 2]" 1
167 1 11 PRO QB 1 12 ARG H . . 3.620 3.044 2.841 3.212 . 0 0 "[ . 1 . 2]" 1
168 1 11 PRO QB 1 13 ALA H . . 3.780 2.567 2.382 2.730 . 0 0 "[ . 1 . 2]" 1
169 1 11 PRO QB 1 14 LYS H . . 3.890 3.119 3.047 3.189 . 0 0 "[ . 1 . 2]" 1
170 1 11 PRO QB 1 14 LYS QB . . 4.280 3.723 3.665 3.766 . 0 0 "[ . 1 . 2]" 1
171 1 11 PRO HB2 1 12 ARG H . . 4.450 3.207 2.964 3.412 . 0 0 "[ . 1 . 2]" 1
172 1 11 PRO HB2 1 13 ALA H . . 4.390 2.588 2.398 2.756 . 0 0 "[ . 1 . 2]" 1
173 1 11 PRO HB2 1 14 LYS H . . 4.770 3.174 3.098 3.250 . 0 0 "[ . 1 . 2]" 1
174 1 11 PRO HB3 1 12 ARG H . . 4.450 3.791 3.644 3.920 . 0 0 "[ . 1 . 2]" 1
175 1 11 PRO HB3 1 13 ALA H . . 4.390 4.255 4.072 4.427 0.037 9 0 "[ . 1 . 2]" 1
176 1 11 PRO HB3 1 14 LYS H . . 4.770 4.577 4.513 4.628 . 0 0 "[ . 1 . 2]" 1
177 1 11 PRO HD2 1 14 LYS H . . 4.090 3.792 3.683 3.848 . 0 0 "[ . 1 . 2]" 1
178 1 11 PRO HD2 1 14 LYS QB . . 4.340 2.152 2.002 2.279 . 0 0 "[ . 1 . 2]" 1
179 1 11 PRO HD2 1 14 LYS HD2 . . 4.780 4.303 3.843 4.597 . 0 0 "[ . 1 . 2]" 1
180 1 11 PRO HD2 1 14 LYS QD . . 4.010 2.670 2.097 3.062 . 0 0 "[ . 1 . 2]" 1
181 1 11 PRO HD2 1 14 LYS HD3 . . 4.780 2.698 2.106 3.120 . 0 0 "[ . 1 . 2]" 1
182 1 11 PRO HD2 1 14 LYS QG . . 4.550 3.199 2.640 3.465 . 0 0 "[ . 1 . 2]" 1
183 1 11 PRO HD3 1 14 LYS H . . 4.950 4.938 4.844 4.986 0.036 6 0 "[ . 1 . 2]" 1
184 1 11 PRO HD3 1 14 LYS QB . . 4.030 3.662 3.534 3.769 . 0 0 "[ . 1 . 2]" 1
185 1 11 PRO HD3 1 14 LYS QD . . 4.260 3.819 3.331 4.134 . 0 0 "[ . 1 . 2]" 1
186 1 11 PRO HD3 1 14 LYS QG . . 5.080 4.726 4.159 4.995 . 0 0 "[ . 1 . 2]" 1
187 1 11 PRO HG2 1 13 ALA H . . 4.030 3.826 3.622 3.990 . 0 0 "[ . 1 . 2]" 1
188 1 11 PRO HG2 1 14 LYS H . . 4.130 2.204 2.094 2.323 . 0 0 "[ . 1 . 2]" 1
189 1 11 PRO HG2 1 15 ALA H . . 4.610 4.451 4.361 4.547 . 0 0 "[ . 1 . 2]" 1
190 1 11 PRO HG3 1 14 LYS H . . 4.130 3.934 3.830 4.058 . 0 0 "[ . 1 . 2]" 1
191 1 11 PRO HG3 1 14 LYS QD . . 3.870 3.067 2.711 3.836 . 0 0 "[ . 1 . 2]" 1
192 1 12 ARG H 1 12 ARG HB2 . . 3.760 3.357 2.660 3.622 . 0 0 "[ . 1 . 2]" 1
193 1 12 ARG H 1 12 ARG QB . . 3.300 2.606 2.245 2.949 . 0 0 "[ . 1 . 2]" 1
194 1 12 ARG H 1 12 ARG HB3 . . 3.760 2.797 2.380 3.465 . 0 0 "[ . 1 . 2]" 1
195 1 12 ARG H 1 12 ARG QD . . 4.510 3.444 1.893 4.523 0.013 4 0 "[ . 1 . 2]" 1
196 1 12 ARG H 1 12 ARG HG2 . . 4.710 2.474 1.878 4.402 . 0 0 "[ . 1 . 2]" 1
197 1 12 ARG H 1 12 ARG QG . . 4.130 2.337 1.760 3.979 . 0 0 "[ . 1 . 2]" 1
198 1 12 ARG H 1 12 ARG HG3 . . 4.710 3.353 1.883 4.558 . 0 0 "[ . 1 . 2]" 1
199 1 12 ARG H 1 13 ALA H . . 3.590 2.962 2.802 3.082 . 0 0 "[ . 1 . 2]" 1
200 1 12 ARG H 1 14 LYS H . . 4.840 4.699 4.573 4.835 . 0 0 "[ . 1 . 2]" 1
201 1 12 ARG H 1 14 LYS QB . . 5.380 5.264 5.131 5.379 . 0 0 "[ . 1 . 2]" 1
202 1 12 ARG HA 1 12 ARG QD . . 4.620 4.124 2.236 4.615 . 0 0 "[ . 1 . 2]" 1
203 1 12 ARG HA 1 13 ALA MB . . 5.120 5.011 4.987 5.029 . 0 0 "[ . 1 . 2]" 1
204 1 12 ARG HA 1 14 LYS H . . 4.870 4.715 4.541 4.870 . 0 0 "[ . 1 . 2]" 1
205 1 12 ARG HA 1 15 ALA H . . 3.990 3.633 3.515 3.727 . 0 0 "[ . 1 . 2]" 1
206 1 12 ARG QD 1 13 ALA H . . 4.400 4.172 3.803 4.436 0.036 16 0 "[ . 1 . 2]" 1
207 1 12 ARG QG 1 13 ALA H . . 3.890 2.579 2.057 3.290 . 0 0 "[ . 1 . 2]" 1
208 1 12 ARG HG2 1 13 ALA H . . 4.430 3.007 2.103 4.436 0.006 16 0 "[ . 1 . 2]" 1
209 1 12 ARG HG3 1 13 ALA H . . 4.430 3.204 2.133 4.468 0.038 9 0 "[ . 1 . 2]" 1
210 1 13 ALA H 1 13 ALA MB . . 2.770 2.205 2.108 2.234 . 0 0 "[ . 1 . 2]" 1
211 1 13 ALA H 1 14 LYS H . . 3.340 2.855 2.724 2.954 . 0 0 "[ . 1 . 2]" 1
212 1 13 ALA H 1 14 LYS HA . . 5.500 5.408 5.311 5.477 . 0 0 "[ . 1 . 2]" 1
213 1 13 ALA H 1 15 ALA H . . 4.510 4.261 4.126 4.454 . 0 0 "[ . 1 . 2]" 1
214 1 13 ALA H 1 16 GLU H . . 5.140 4.939 4.802 5.121 . 0 0 "[ . 1 . 2]" 1
215 1 13 ALA HA 1 15 ALA H . . 4.690 4.515 4.214 4.702 0.012 12 0 "[ . 1 . 2]" 1
216 1 13 ALA HA 1 16 GLU H . . 3.880 3.662 3.362 3.880 0.000 6 0 "[ . 1 . 2]" 1
217 1 13 ALA HA 1 16 GLU QG . . 4.030 3.417 2.534 3.928 . 0 0 "[ . 1 . 2]" 1
218 1 13 ALA HA 1 17 GLU H . . 5.500 4.516 4.204 4.673 . 0 0 "[ . 1 . 2]" 1
219 1 13 ALA MB 1 14 LYS H . . 3.260 2.312 2.196 2.438 . 0 0 "[ . 1 . 2]" 1
220 1 13 ALA MB 1 14 LYS HA . . 3.920 3.741 3.674 3.792 . 0 0 "[ . 1 . 2]" 1
221 1 13 ALA MB 1 14 LYS QB . . 4.040 3.771 3.665 3.862 . 0 0 "[ . 1 . 2]" 1
222 1 13 ALA MB 1 15 ALA H . . 4.740 4.482 4.325 4.606 . 0 0 "[ . 1 . 2]" 1
223 1 13 ALA MB 1 16 GLU H . . 4.990 4.755 4.450 4.959 . 0 0 "[ . 1 . 2]" 1
224 1 13 ALA MB 1 16 GLU QB . . 5.120 4.227 3.977 4.665 . 0 0 "[ . 1 . 2]" 1
225 1 14 LYS H 1 14 LYS QB . . 2.930 2.063 2.039 2.187 . 0 0 "[ . 1 . 2]" 1
226 1 14 LYS H 1 14 LYS HD2 . . 4.570 4.093 3.324 4.522 . 0 0 "[ . 1 . 2]" 1
227 1 14 LYS H 1 14 LYS QD . . 3.960 3.223 2.693 3.964 0.004 2 0 "[ . 1 . 2]" 1
228 1 14 LYS H 1 14 LYS HD3 . . 4.570 3.402 2.729 4.384 . 0 0 "[ . 1 . 2]" 1
229 1 14 LYS H 1 14 LYS QG . . 4.020 3.876 3.746 4.016 . 0 0 "[ . 1 . 2]" 1
230 1 14 LYS H 1 15 ALA H . . 3.030 2.866 2.767 2.967 . 0 0 "[ . 1 . 2]" 1
231 1 14 LYS H 1 15 ALA HA . . 5.500 5.427 5.348 5.502 0.002 9 0 "[ . 1 . 2]" 1
232 1 14 LYS H 1 15 ALA MB . . 4.510 4.472 4.331 4.533 0.023 12 0 "[ . 1 . 2]" 1
233 1 14 LYS H 1 16 GLU H . . 4.780 4.520 4.303 4.777 . 0 0 "[ . 1 . 2]" 1
234 1 14 LYS H 1 17 GLU H . . 5.190 4.900 4.756 5.020 . 0 0 "[ . 1 . 2]" 1
235 1 14 LYS HA 1 14 LYS HD2 . . 3.810 2.910 2.379 3.270 . 0 0 "[ . 1 . 2]" 1
236 1 14 LYS HA 1 14 LYS QD . . 3.270 2.744 2.336 3.010 . 0 0 "[ . 1 . 2]" 1
237 1 14 LYS HA 1 14 LYS HD3 . . 3.810 3.421 2.958 3.779 . 0 0 "[ . 1 . 2]" 1
238 1 14 LYS HA 1 15 ALA MB . . 5.110 5.026 5.010 5.038 . 0 0 "[ . 1 . 2]" 1
239 1 14 LYS HA 1 16 GLU H . . 5.050 4.715 4.323 4.896 . 0 0 "[ . 1 . 2]" 1
240 1 14 LYS HA 1 17 GLU H . . 3.770 3.535 3.345 3.616 . 0 0 "[ . 1 . 2]" 1
241 1 14 LYS HA 1 17 GLU HB2 . . 3.290 2.714 2.381 2.901 . 0 0 "[ . 1 . 2]" 1
242 1 14 LYS HA 1 17 GLU HB3 . . 4.640 4.284 3.888 4.489 . 0 0 "[ . 1 . 2]" 1
243 1 14 LYS HA 1 17 GLU HG2 . . 4.310 3.762 3.360 4.180 . 0 0 "[ . 1 . 2]" 1
244 1 14 LYS HA 1 17 GLU HG3 . . 3.910 3.379 3.060 3.606 . 0 0 "[ . 1 . 2]" 1
245 1 14 LYS HA 1 18 MET H . . 4.650 4.285 4.116 4.609 . 0 0 "[ . 1 . 2]" 1
246 1 14 LYS HA 1 18 MET ME . . 4.130 3.454 3.085 3.711 . 0 0 "[ . 1 . 2]" 1
247 1 14 LYS QB 1 14 LYS QE . . 4.370 3.288 2.947 3.563 . 0 0 "[ . 1 . 2]" 1
248 1 14 LYS QB 1 15 ALA H . . 3.290 2.533 2.364 2.746 . 0 0 "[ . 1 . 2]" 1
249 1 14 LYS QG 1 18 MET HG3 . . 5.020 4.429 3.608 4.917 . 0 0 "[ . 1 . 2]" 1
250 1 15 ALA H 1 15 ALA MB . . 3.030 2.170 2.066 2.233 . 0 0 "[ . 1 . 2]" 1
251 1 15 ALA H 1 16 GLU H . . 3.410 2.885 2.660 3.020 . 0 0 "[ . 1 . 2]" 1
252 1 15 ALA H 1 16 GLU QB . . 5.490 4.870 4.698 5.145 . 0 0 "[ . 1 . 2]" 1
253 1 15 ALA H 1 16 GLU QG . . 4.540 4.403 4.109 4.578 0.038 19 0 "[ . 1 . 2]" 1
254 1 15 ALA H 1 17 GLU H . . 4.220 4.057 3.959 4.144 . 0 0 "[ . 1 . 2]" 1
255 1 15 ALA H 1 17 GLU HB2 . . 5.500 5.015 4.745 5.158 . 0 0 "[ . 1 . 2]" 1
256 1 15 ALA H 1 29 LEU MD1 . . 5.320 4.836 4.377 5.263 . 0 0 "[ . 1 . 2]" 1
257 1 15 ALA H 1 29 LEU QD . . 4.600 4.018 3.747 4.348 . 0 0 "[ . 1 . 2]" 1
258 1 15 ALA H 1 29 LEU MD2 . . 5.320 4.317 3.953 4.830 . 0 0 "[ . 1 . 2]" 1
259 1 15 ALA HA 1 18 MET HB3 . . 4.740 4.389 4.208 4.636 . 0 0 "[ . 1 . 2]" 1
260 1 15 ALA HA 1 18 MET ME . . 4.730 4.510 4.291 4.734 0.004 19 0 "[ . 1 . 2]" 1
261 1 15 ALA HA 1 29 LEU QB . . 5.140 4.260 4.060 4.509 . 0 0 "[ . 1 . 2]" 1
262 1 15 ALA HA 1 29 LEU MD1 . . 4.070 2.626 2.128 3.091 . 0 0 "[ . 1 . 2]" 1
263 1 15 ALA HA 1 29 LEU QD . . 3.250 2.338 2.072 2.641 . 0 0 "[ . 1 . 2]" 1
264 1 15 ALA HA 1 29 LEU MD2 . . 4.070 2.766 2.330 3.344 . 0 0 "[ . 1 . 2]" 1
265 1 15 ALA MB 1 16 GLU H . . 3.450 2.295 2.085 2.592 . 0 0 "[ . 1 . 2]" 1
266 1 15 ALA MB 1 16 GLU QB . . 5.500 4.258 4.202 4.345 . 0 0 "[ . 1 . 2]" 1
267 1 15 ALA MB 1 17 GLU H . . 4.330 4.268 4.150 4.333 0.003 14 0 "[ . 1 . 2]" 1
268 1 15 ALA MB 1 18 MET H . . 4.600 4.508 4.366 4.612 0.012 19 0 "[ . 1 . 2]" 1
269 1 15 ALA MB 1 18 MET HB2 . . 4.370 4.093 3.876 4.328 . 0 0 "[ . 1 . 2]" 1
270 1 15 ALA MB 1 19 LEU MD1 . . 4.100 3.150 2.829 3.390 . 0 0 "[ . 1 . 2]" 1
271 1 15 ALA MB 1 29 LEU H . . 5.500 5.399 5.050 5.518 0.018 18 0 "[ . 1 . 2]" 1
272 1 15 ALA MB 1 29 LEU MD1 . . 3.500 3.111 2.558 3.515 0.015 4 0 "[ . 1 . 2]" 1
273 1 15 ALA MB 1 29 LEU QD . . 3.070 1.994 1.716 2.465 . 0 0 "[ . 1 . 2]" 1
274 1 15 ALA MB 1 29 LEU MD2 . . 3.500 2.025 1.728 2.547 . 0 0 "[ . 1 . 2]" 1
275 1 15 ALA MB 1 31 ARG H . . 5.500 5.329 5.039 5.503 0.003 14 0 "[ . 1 . 2]" 1
276 1 15 ALA MB 1 31 ARG HD2 . . 3.700 2.814 2.409 3.668 . 0 0 "[ . 1 . 2]" 1
277 1 15 ALA MB 1 31 ARG HD3 . . 3.700 3.142 2.085 3.709 0.009 4 0 "[ . 1 . 2]" 1
278 1 15 ALA MB 1 31 ARG HE . . 4.260 3.020 1.765 4.228 . 0 0 "[ . 1 . 2]" 1
279 1 15 ALA MB 1 43 SER H . . 5.500 5.072 4.643 5.431 . 0 0 "[ . 1 . 2]" 1
280 1 16 GLU H 1 16 GLU QB . . 3.330 2.550 2.452 2.742 . 0 0 "[ . 1 . 2]" 1
281 1 16 GLU H 1 16 GLU QG . . 3.360 2.036 1.890 2.464 . 0 0 "[ . 1 . 2]" 1
282 1 16 GLU H 1 17 GLU H . . 3.310 2.754 2.543 2.848 . 0 0 "[ . 1 . 2]" 1
283 1 16 GLU H 1 18 MET H . . 4.440 4.333 4.181 4.437 . 0 0 "[ . 1 . 2]" 1
284 1 16 GLU H 1 18 MET HG2 . . 5.480 5.426 5.235 5.493 0.013 12 0 "[ . 1 . 2]" 1
285 1 16 GLU H 1 50 VAL MG1 . . 4.470 3.861 3.682 4.003 . 0 0 "[ . 1 . 2]" 1
286 1 16 GLU H 1 50 VAL MG2 . . 4.470 4.336 4.142 4.483 0.013 20 0 "[ . 1 . 2]" 1
287 1 16 GLU HA 1 16 GLU HG2 . . 4.250 2.880 2.472 3.495 . 0 0 "[ . 1 . 2]" 1
288 1 16 GLU HA 1 16 GLU QG . . 3.700 2.595 2.372 3.229 . 0 0 "[ . 1 . 2]" 1
289 1 16 GLU HA 1 16 GLU HG3 . . 4.250 3.002 2.511 3.806 . 0 0 "[ . 1 . 2]" 1
290 1 16 GLU HA 1 20 SER H . . 3.940 3.866 3.514 3.944 0.004 10 0 "[ . 1 . 2]" 1
291 1 16 GLU HA 1 50 VAL HB . . 4.100 3.901 3.119 4.102 0.002 12 0 "[ . 1 . 2]" 1
292 1 16 GLU HA 1 50 VAL MG1 . . 3.470 2.382 2.061 2.753 . 0 0 "[ . 1 . 2]" 1
293 1 16 GLU HA 1 50 VAL QG . . 2.940 2.034 1.820 2.290 . 0 0 "[ . 1 . 2]" 1
294 1 16 GLU HA 1 50 VAL MG2 . . 3.470 2.249 1.980 2.871 . 0 0 "[ . 1 . 2]" 1
295 1 16 GLU QB 1 17 GLU H . . 3.040 2.739 2.621 2.910 . 0 0 "[ . 1 . 2]" 1
296 1 16 GLU QB 1 19 LEU H . . 5.100 4.945 4.850 5.082 . 0 0 "[ . 1 . 2]" 1
297 1 16 GLU QB 1 20 SER H . . 4.730 4.511 4.419 4.640 . 0 0 "[ . 1 . 2]" 1
298 1 16 GLU QB 1 50 VAL H . . 5.500 4.886 3.813 5.409 . 0 0 "[ . 1 . 2]" 1
299 1 16 GLU QG 1 17 GLU H . . 4.990 4.071 3.737 4.313 . 0 0 "[ . 1 . 2]" 1
300 1 16 GLU QG 1 50 VAL H . . 4.270 4.213 3.882 4.286 0.016 18 0 "[ . 1 . 2]" 1
301 1 16 GLU QG 1 50 VAL HB . . 3.920 2.275 1.987 3.960 0.040 19 0 "[ . 1 . 2]" 1
302 1 16 GLU QG 1 50 VAL QG . . 3.200 2.101 1.692 3.145 . 0 0 "[ . 1 . 2]" 1
303 1 16 GLU HG2 1 50 VAL HB . . 4.480 2.480 1.995 4.375 . 0 0 "[ . 1 . 2]" 1
304 1 16 GLU HG2 1 50 VAL MG1 . . 4.330 2.521 1.776 4.083 . 0 0 "[ . 1 . 2]" 1
305 1 16 GLU HG2 1 50 VAL MG2 . . 4.330 2.591 1.972 4.363 0.033 18 0 "[ . 1 . 2]" 1
306 1 16 GLU HG3 1 50 VAL HB . . 4.480 3.562 2.867 4.523 0.043 19 0 "[ . 1 . 2]" 1
307 1 16 GLU HG3 1 50 VAL MG1 . . 4.330 2.990 2.238 3.880 . 0 0 "[ . 1 . 2]" 1
308 1 16 GLU HG3 1 50 VAL MG2 . . 4.330 3.478 2.810 3.809 . 0 0 "[ . 1 . 2]" 1
309 1 17 GLU H 1 17 GLU HB3 . . 3.620 3.569 3.546 3.592 . 0 0 "[ . 1 . 2]" 1
310 1 17 GLU H 1 17 GLU HG2 . . 3.040 2.599 2.436 2.756 . 0 0 "[ . 1 . 2]" 1
311 1 17 GLU H 1 17 GLU HG3 . . 3.830 3.721 3.489 3.833 0.003 12 0 "[ . 1 . 2]" 1
312 1 17 GLU H 1 18 MET H . . 3.120 2.548 2.414 2.652 . 0 0 "[ . 1 . 2]" 1
313 1 17 GLU H 1 18 MET ME . . 4.290 3.937 3.691 4.261 . 0 0 "[ . 1 . 2]" 1
314 1 17 GLU H 1 19 LEU H . . 4.330 3.970 3.847 4.086 . 0 0 "[ . 1 . 2]" 1
315 1 17 GLU H 1 50 VAL QG . . 5.110 4.580 4.322 4.739 . 0 0 "[ . 1 . 2]" 1
316 1 17 GLU HA 1 17 GLU HB3 . . 2.870 2.556 2.507 2.596 . 0 0 "[ . 1 . 2]" 1
317 1 17 GLU HA 1 17 GLU HG2 . . 3.390 2.800 2.556 3.057 . 0 0 "[ . 1 . 2]" 1
318 1 17 GLU HA 1 17 GLU HG3 . . 3.740 3.707 3.680 3.739 . 0 0 "[ . 1 . 2]" 1
319 1 17 GLU HA 1 18 MET H . . 3.560 3.540 3.508 3.555 . 0 0 "[ . 1 . 2]" 1
320 1 17 GLU HA 1 20 SER H . . 3.890 3.418 3.245 3.613 . 0 0 "[ . 1 . 2]" 1
321 1 17 GLU HA 1 21 LYS H . . 3.840 3.586 3.340 3.743 . 0 0 "[ . 1 . 2]" 1
322 1 17 GLU HB2 1 18 MET H . . 3.050 2.640 2.517 2.845 . 0 0 "[ . 1 . 2]" 1
323 1 17 GLU HB2 1 18 MET ME . . 3.920 2.397 2.193 2.742 . 0 0 "[ . 1 . 2]" 1
324 1 17 GLU HB3 1 18 MET ME . . 4.380 2.604 2.398 2.832 . 0 0 "[ . 1 . 2]" 1
325 1 17 GLU HB3 1 19 LEU H . . 5.500 5.317 5.152 5.442 . 0 0 "[ . 1 . 2]" 1
326 1 17 GLU HB3 1 21 LYS H . . 5.110 4.710 4.422 4.935 . 0 0 "[ . 1 . 2]" 1
327 1 18 MET H 1 18 MET HB2 . . 3.170 2.496 2.450 2.548 . 0 0 "[ . 1 . 2]" 1
328 1 18 MET H 1 18 MET HB3 . . 3.720 3.588 3.585 3.597 . 0 0 "[ . 1 . 2]" 1
329 1 18 MET H 1 18 MET ME . . 3.820 2.511 2.110 2.864 . 0 0 "[ . 1 . 2]" 1
330 1 18 MET H 1 18 MET HG2 . . 3.460 2.234 2.160 2.325 . 0 0 "[ . 1 . 2]" 1
331 1 18 MET H 1 18 MET HG3 . . 3.740 3.698 3.622 3.762 0.022 19 0 "[ . 1 . 2]" 1
332 1 18 MET H 1 19 LEU H . . 3.300 2.677 2.528 2.752 . 0 0 "[ . 1 . 2]" 1
333 1 18 MET H 1 19 LEU MD1 . . 5.500 4.969 4.738 5.189 . 0 0 "[ . 1 . 2]" 1
334 1 18 MET H 1 20 SER H . . 4.520 4.282 4.061 4.504 . 0 0 "[ . 1 . 2]" 1
335 1 18 MET H 1 21 LYS QE . . 4.210 4.127 3.927 4.225 0.015 10 0 "[ . 1 . 2]" 1
336 1 18 MET H 1 29 LEU QD . . 4.470 4.124 3.942 4.314 . 0 0 "[ . 1 . 2]" 1
337 1 18 MET H 1 96 ILE MD . . 5.500 4.897 4.622 5.143 . 0 0 "[ . 1 . 2]" 1
338 1 18 MET HA 1 18 MET ME . . 3.610 2.508 2.171 2.773 . 0 0 "[ . 1 . 2]" 1
339 1 18 MET HA 1 18 MET HG2 . . 3.350 3.170 3.098 3.227 . 0 0 "[ . 1 . 2]" 1
340 1 18 MET HA 1 18 MET HG3 . . 3.820 3.699 3.669 3.741 . 0 0 "[ . 1 . 2]" 1
341 1 18 MET HA 1 21 LYS H . . 4.520 4.090 3.888 4.274 . 0 0 "[ . 1 . 2]" 1
342 1 18 MET HA 1 21 LYS QE . . 4.260 1.972 1.791 2.202 . 0 0 "[ . 1 . 2]" 1
343 1 18 MET HB2 1 19 LEU H . . 3.680 2.794 2.679 2.909 . 0 0 "[ . 1 . 2]" 1
344 1 18 MET HB3 1 29 LEU MD1 . . 5.500 2.770 2.492 3.058 . 0 0 "[ . 1 . 2]" 1
345 1 18 MET HB3 1 29 LEU QD . . 4.460 2.757 2.483 3.040 . 0 0 "[ . 1 . 2]" 1
346 1 18 MET HB3 1 29 LEU MD2 . . 5.500 4.990 4.478 5.430 . 0 0 "[ . 1 . 2]" 1
347 1 18 MET HB3 1 96 ILE MD . . 3.180 2.323 2.041 2.673 . 0 0 "[ . 1 . 2]" 1
348 1 18 MET ME 1 18 MET HG2 . . 3.190 2.120 2.008 2.254 . 0 0 "[ . 1 . 2]" 1
349 1 18 MET ME 1 18 MET HG3 . . 3.280 3.238 3.185 3.282 0.002 5 0 "[ . 1 . 2]" 1
350 1 18 MET ME 1 19 LEU H . . 4.780 4.596 4.351 4.762 . 0 0 "[ . 1 . 2]" 1
351 1 18 MET ME 1 21 LYS QE . . 3.520 2.241 2.006 2.780 . 0 0 "[ . 1 . 2]" 1
352 1 18 MET HG2 1 19 LEU H . . 4.490 4.366 4.289 4.455 . 0 0 "[ . 1 . 2]" 1
353 1 18 MET HG2 1 21 LYS QE . . 4.490 4.172 3.946 4.459 . 0 0 "[ . 1 . 2]" 1
354 1 18 MET HG2 1 29 LEU QD . . 4.190 3.377 3.074 3.741 . 0 0 "[ . 1 . 2]" 1
355 1 18 MET HG3 1 19 LEU H . . 5.340 5.128 4.998 5.234 . 0 0 "[ . 1 . 2]" 1
356 1 18 MET HG3 1 21 LYS QE . . 4.930 4.400 4.078 4.920 . 0 0 "[ . 1 . 2]" 1
357 1 18 MET HG3 1 29 LEU QD . . 3.980 2.564 2.286 2.953 . 0 0 "[ . 1 . 2]" 1
358 1 18 MET HG3 1 96 ILE MD . . 4.410 3.983 3.675 4.205 . 0 0 "[ . 1 . 2]" 1
359 1 19 LEU H 1 19 LEU HB2 . . 3.700 2.656 2.554 2.754 . 0 0 "[ . 1 . 2]" 1
360 1 19 LEU H 1 19 LEU QB . . 3.030 2.592 2.506 2.672 . 0 0 "[ . 1 . 2]" 1
361 1 19 LEU H 1 19 LEU HB3 . . 3.700 3.626 3.602 3.642 . 0 0 "[ . 1 . 2]" 1
362 1 19 LEU H 1 19 LEU MD1 . . 3.530 3.438 3.350 3.535 0.005 15 0 "[ . 1 . 2]" 1
363 1 19 LEU H 1 19 LEU MD2 . . 3.540 3.375 3.219 3.484 . 0 0 "[ . 1 . 2]" 1
364 1 19 LEU H 1 19 LEU HG . . 3.340 2.100 1.897 2.277 . 0 0 "[ . 1 . 2]" 1
365 1 19 LEU H 1 21 LYS QE . . 5.130 4.887 4.554 5.104 . 0 0 "[ . 1 . 2]" 1
366 1 19 LEU H 1 22 GLN QG . . 4.520 4.198 4.060 4.402 . 0 0 "[ . 1 . 2]" 1
367 1 19 LEU H 1 29 LEU QD . . 4.270 4.196 4.031 4.275 0.005 19 0 "[ . 1 . 2]" 1
368 1 19 LEU H 1 96 ILE MD . . 4.320 3.902 3.598 4.267 . 0 0 "[ . 1 . 2]" 1
369 1 19 LEU HA 1 19 LEU MD1 . . 4.150 3.973 3.936 4.009 . 0 0 "[ . 1 . 2]" 1
370 1 19 LEU HA 1 19 LEU MD2 . . 3.020 2.343 2.138 2.598 . 0 0 "[ . 1 . 2]" 1
371 1 19 LEU HA 1 19 LEU HG . . 3.930 3.175 3.122 3.256 . 0 0 "[ . 1 . 2]" 1
372 1 19 LEU HA 1 22 GLN H . . 3.700 3.540 3.380 3.668 . 0 0 "[ . 1 . 2]" 1
373 1 19 LEU HA 1 22 GLN HE21 . . 4.740 3.239 2.852 3.937 . 0 0 "[ . 1 . 2]" 1
374 1 19 LEU HA 1 22 GLN HG2 . . 3.940 2.301 2.007 2.666 . 0 0 "[ . 1 . 2]" 1
375 1 19 LEU HA 1 22 GLN QG . . 3.450 2.077 1.906 2.317 . 0 0 "[ . 1 . 2]" 1
376 1 19 LEU HA 1 22 GLN HG3 . . 3.940 2.420 2.099 2.619 . 0 0 "[ . 1 . 2]" 1
377 1 19 LEU QB 1 20 SER H . . 3.520 2.403 2.201 2.563 . 0 0 "[ . 1 . 2]" 1
378 1 19 LEU QB 1 45 LYS H . . 4.890 3.606 3.254 4.004 . 0 0 "[ . 1 . 2]" 1
379 1 19 LEU HB2 1 20 SER H . . 4.190 2.434 2.224 2.601 . 0 0 "[ . 1 . 2]" 1
380 1 19 LEU HB3 1 20 SER H . . 4.190 3.714 3.499 3.870 . 0 0 "[ . 1 . 2]" 1
381 1 19 LEU MD1 1 20 SER H . . 4.720 4.104 3.897 4.304 . 0 0 "[ . 1 . 2]" 1
382 1 19 LEU MD1 1 28 PHE H . . 5.500 5.365 5.090 5.504 0.004 16 0 "[ . 1 . 2]" 1
383 1 19 LEU MD1 1 28 PHE HA . . 4.080 3.741 3.392 4.033 . 0 0 "[ . 1 . 2]" 1
384 1 19 LEU MD1 1 29 LEU H . . 4.200 3.893 3.771 4.113 . 0 0 "[ . 1 . 2]" 1
385 1 19 LEU MD1 1 43 SER HA . . 5.290 4.124 3.912 4.320 . 0 0 "[ . 1 . 2]" 1
386 1 19 LEU MD1 1 43 SER HB2 . . 4.170 3.716 2.811 4.174 0.004 12 0 "[ . 1 . 2]" 1
387 1 19 LEU MD1 1 43 SER QB . . 3.630 2.634 2.145 3.186 . 0 0 "[ . 1 . 2]" 1
388 1 19 LEU MD1 1 43 SER HB3 . . 4.170 2.806 2.162 4.066 . 0 0 "[ . 1 . 2]" 1
389 1 19 LEU MD1 1 44 VAL H . . 5.010 3.950 3.602 4.266 . 0 0 "[ . 1 . 2]" 1
390 1 19 LEU MD1 1 44 VAL HA . . 4.000 3.013 2.615 3.378 . 0 0 "[ . 1 . 2]" 1
391 1 19 LEU MD1 1 45 LYS H . . 3.950 3.045 2.627 3.459 . 0 0 "[ . 1 . 2]" 1
392 1 19 LEU MD1 1 45 LYS HA . . 5.050 3.096 2.966 3.275 . 0 0 "[ . 1 . 2]" 1
393 1 19 LEU MD1 1 45 LYS QG . . 4.160 3.999 3.847 4.121 . 0 0 "[ . 1 . 2]" 1
394 1 19 LEU MD2 1 22 GLN QG . . 3.690 3.329 3.010 3.614 . 0 0 "[ . 1 . 2]" 1
395 1 19 LEU MD2 1 27 ALA H . . 5.200 4.232 3.986 4.533 . 0 0 "[ . 1 . 2]" 1
396 1 19 LEU MD2 1 27 ALA HA . . 5.500 3.772 3.482 3.989 . 0 0 "[ . 1 . 2]" 1
397 1 19 LEU MD2 1 27 ALA MB . . 3.610 1.945 1.785 2.362 . 0 0 "[ . 1 . 2]" 1
398 1 19 LEU MD2 1 28 PHE H . . 4.010 3.598 3.391 3.753 . 0 0 "[ . 1 . 2]" 1
399 1 19 LEU MD2 1 28 PHE HA . . 3.930 2.925 2.555 3.341 . 0 0 "[ . 1 . 2]" 1
400 1 19 LEU MD2 1 28 PHE QB . . 5.180 4.306 4.010 4.555 . 0 0 "[ . 1 . 2]" 1
401 1 19 LEU MD2 1 29 LEU H . . 4.040 3.236 2.900 3.606 . 0 0 "[ . 1 . 2]" 1
402 1 19 LEU MD2 1 29 LEU QB . . 3.430 2.053 1.867 2.284 . 0 0 "[ . 1 . 2]" 1
403 1 19 LEU MD2 1 44 VAL HA . . 4.060 3.313 3.029 3.600 . 0 0 "[ . 1 . 2]" 1
404 1 19 LEU MD2 1 45 LYS H . . 3.930 3.498 3.139 3.788 . 0 0 "[ . 1 . 2]" 1
405 1 19 LEU MD2 1 45 LYS HA . . 5.310 4.987 4.730 5.242 . 0 0 "[ . 1 . 2]" 1
406 1 19 LEU MD2 1 45 LYS QB . . 3.930 3.358 2.928 3.594 . 0 0 "[ . 1 . 2]" 1
407 1 19 LEU HG 1 20 SER H . . 4.130 3.938 3.780 4.099 . 0 0 "[ . 1 . 2]" 1
408 1 19 LEU HG 1 29 LEU QD . . 3.860 3.402 3.232 3.623 . 0 0 "[ . 1 . 2]" 1
409 1 20 SER H 1 20 SER HB2 . . 3.920 2.338 2.075 3.563 . 0 0 "[ . 1 . 2]" 1
410 1 20 SER H 1 20 SER QB . . 3.280 2.192 2.053 2.302 . 0 0 "[ . 1 . 2]" 1
411 1 20 SER H 1 20 SER HB3 . . 3.920 3.037 2.331 3.561 . 0 0 "[ . 1 . 2]" 1
412 1 20 SER H 1 21 LYS H . . 3.210 2.811 2.703 3.009 . 0 0 "[ . 1 . 2]" 1
413 1 20 SER H 1 21 LYS QG . . 5.190 4.147 3.981 4.281 . 0 0 "[ . 1 . 2]" 1
414 1 20 SER H 1 22 GLN H . . 4.260 4.055 3.959 4.179 . 0 0 "[ . 1 . 2]" 1
415 1 20 SER H 1 27 ALA MB . . 5.250 5.037 4.800 5.252 0.002 19 0 "[ . 1 . 2]" 1
416 1 20 SER H 1 50 VAL MG1 . . 5.420 5.125 4.457 5.413 . 0 0 "[ . 1 . 2]" 1
417 1 20 SER H 1 50 VAL QG . . 4.170 3.920 3.335 4.175 0.005 19 0 "[ . 1 . 2]" 1
418 1 20 SER H 1 50 VAL MG2 . . 5.420 4.101 3.402 5.038 . 0 0 "[ . 1 . 2]" 1
419 1 20 SER HA 1 22 GLN H . . 4.140 3.849 3.622 4.038 . 0 0 "[ . 1 . 2]" 1
420 1 20 SER HA 1 50 VAL QG . . 4.870 4.583 4.042 4.844 . 0 0 "[ . 1 . 2]" 1
421 1 20 SER QB 1 21 LYS QG . . 5.180 4.407 4.171 5.073 . 0 0 "[ . 1 . 2]" 1
422 1 21 LYS H 1 21 LYS HB2 . . 3.630 3.582 3.575 3.597 . 0 0 "[ . 1 . 2]" 1
423 1 21 LYS H 1 21 LYS HB3 . . 3.060 2.436 2.383 2.544 . 0 0 "[ . 1 . 2]" 1
424 1 21 LYS H 1 21 LYS QE . . 4.310 3.997 3.611 4.243 . 0 0 "[ . 1 . 2]" 1
425 1 21 LYS H 1 21 LYS HG2 . . 3.370 2.494 2.313 2.627 . 0 0 "[ . 1 . 2]" 1
426 1 21 LYS H 1 21 LYS QG . . 2.920 2.400 2.233 2.511 . 0 0 "[ . 1 . 2]" 1
427 1 21 LYS H 1 21 LYS HG3 . . 3.370 3.142 2.925 3.370 . 0 0 "[ . 1 . 2]" 1
428 1 21 LYS H 1 22 GLN H . . 3.030 2.718 2.611 2.837 . 0 0 "[ . 1 . 2]" 1
429 1 21 LYS HA 1 21 LYS HB2 . . 2.910 2.414 2.384 2.471 . 0 0 "[ . 1 . 2]" 1
430 1 21 LYS HA 1 21 LYS HG2 . . 4.090 3.929 3.861 3.986 . 0 0 "[ . 1 . 2]" 1
431 1 21 LYS HA 1 21 LYS QG . . 3.450 3.339 3.332 3.342 . 0 0 "[ . 1 . 2]" 1
432 1 21 LYS HA 1 21 LYS HG3 . . 4.090 3.614 3.581 3.654 . 0 0 "[ . 1 . 2]" 1
433 1 21 LYS HA 1 22 GLN H . . 3.560 3.462 3.419 3.500 . 0 0 "[ . 1 . 2]" 1
434 1 21 LYS HB3 1 21 LYS QE . . 4.910 2.675 2.215 3.642 . 0 0 "[ . 1 . 2]" 1
435 1 21 LYS HB3 1 22 GLN H . . 4.100 4.037 3.932 4.105 0.005 18 0 "[ . 1 . 2]" 1
436 1 21 LYS QE 1 21 LYS QG . . 3.400 2.128 2.018 2.235 . 0 0 "[ . 1 . 2]" 1
437 1 21 LYS QE 1 22 GLN H . . 5.500 4.912 4.403 5.184 . 0 0 "[ . 1 . 2]" 1
438 1 21 LYS HG2 1 22 GLN H . . 3.900 3.204 2.863 3.466 . 0 0 "[ . 1 . 2]" 1
439 1 21 LYS HG3 1 22 GLN H . . 3.900 2.333 2.010 2.548 . 0 0 "[ . 1 . 2]" 1
440 1 22 GLN H 1 22 GLN QB . . 3.510 2.565 2.512 2.606 . 0 0 "[ . 1 . 2]" 1
441 1 22 GLN H 1 22 GLN HE21 . . 4.280 4.060 3.879 4.290 0.010 10 0 "[ . 1 . 2]" 1
442 1 22 GLN H 1 22 GLN HG2 . . 3.550 1.965 1.897 2.041 . 0 0 "[ . 1 . 2]" 1
443 1 22 GLN H 1 22 GLN QG . . 3.090 1.954 1.889 2.028 . 0 0 "[ . 1 . 2]" 1
444 1 22 GLN H 1 22 GLN HG3 . . 3.550 3.447 3.322 3.551 0.001 16 0 "[ . 1 . 2]" 1
445 1 22 GLN H 1 23 ARG H . . 4.760 4.600 4.525 4.634 . 0 0 "[ . 1 . 2]" 1
446 1 22 GLN H 1 27 ALA MB . . 4.680 4.569 4.310 4.684 0.004 18 0 "[ . 1 . 2]" 1
447 1 22 GLN HA 1 22 GLN HE21 . . 5.010 4.430 4.061 4.664 . 0 0 "[ . 1 . 2]" 1
448 1 22 GLN HA 1 22 GLN HE22 . . 4.700 4.384 4.165 4.635 . 0 0 "[ . 1 . 2]" 1
449 1 22 GLN HA 1 22 GLN QG . . 3.720 2.985 2.883 3.100 . 0 0 "[ . 1 . 2]" 1
450 1 22 GLN HA 1 23 ARG H . . 3.020 2.497 2.403 2.675 . 0 0 "[ . 1 . 2]" 1
451 1 22 GLN HA 1 23 ARG QD . . 5.050 3.633 3.296 3.980 . 0 0 "[ . 1 . 2]" 1
452 1 22 GLN HA 1 24 HIS H . . 5.320 4.292 4.152 4.431 . 0 0 "[ . 1 . 2]" 1
453 1 22 GLN QB 1 23 ARG H . . 3.580 2.250 1.945 2.414 . 0 0 "[ . 1 . 2]" 1
454 1 22 GLN QB 1 23 ARG HG2 . . 4.350 4.182 3.938 4.317 . 0 0 "[ . 1 . 2]" 1
455 1 22 GLN QB 1 24 HIS H . . 3.530 2.862 2.653 3.005 . 0 0 "[ . 1 . 2]" 1
456 1 22 GLN QB 1 27 ALA MB . . 3.560 2.802 2.610 2.959 . 0 0 "[ . 1 . 2]" 1
457 1 22 GLN HE21 1 96 ILE HA . . 4.440 4.228 3.871 4.424 . 0 0 "[ . 1 . 2]" 1
458 1 22 GLN HE21 1 96 ILE HB . . 5.280 4.867 4.653 5.130 . 0 0 "[ . 1 . 2]" 1
459 1 22 GLN HE21 1 96 ILE MG . . 4.370 4.234 4.012 4.365 . 0 0 "[ . 1 . 2]" 1
460 1 22 GLN HE21 1 97 GLU H . . 4.470 3.221 2.916 3.713 . 0 0 "[ . 1 . 2]" 1
461 1 22 GLN HE22 1 22 GLN QG . . 3.590 3.217 3.216 3.218 . 0 0 "[ . 1 . 2]" 1
462 1 22 GLN HE22 1 96 ILE HA . . 4.600 4.087 3.607 4.525 . 0 0 "[ . 1 . 2]" 1
463 1 22 GLN HE22 1 96 ILE HB . . 5.500 5.309 5.148 5.472 . 0 0 "[ . 1 . 2]" 1
464 1 22 GLN HE22 1 96 ILE MD . . 5.130 3.353 2.353 3.796 . 0 0 "[ . 1 . 2]" 1
465 1 22 GLN HE22 1 96 ILE MG . . 4.280 4.124 3.996 4.235 . 0 0 "[ . 1 . 2]" 1
466 1 22 GLN HE22 1 97 GLU H . . 4.740 2.266 1.796 3.013 . 0 0 "[ . 1 . 2]" 1
467 1 22 GLN HE22 1 97 GLU QB . . 4.200 2.394 1.852 3.142 . 0 0 "[ . 1 . 2]" 1
468 1 22 GLN HE22 1 97 GLU QG . . 4.950 4.108 3.179 4.855 . 0 0 "[ . 1 . 2]" 1
469 1 22 GLN QG 1 27 ALA MB . . 3.250 2.191 1.910 2.356 . 0 0 "[ . 1 . 2]" 1
470 1 22 GLN HG2 1 27 ALA MB . . 3.830 3.453 3.057 3.725 . 0 0 "[ . 1 . 2]" 1
471 1 22 GLN HG3 1 27 ALA MB . . 3.830 2.216 1.929 2.385 . 0 0 "[ . 1 . 2]" 1
472 1 23 ARG H 1 23 ARG HB2 . . 3.500 2.790 2.720 2.874 . 0 0 "[ . 1 . 2]" 1
473 1 23 ARG H 1 23 ARG HB3 . . 3.970 3.759 3.700 3.844 . 0 0 "[ . 1 . 2]" 1
474 1 23 ARG H 1 23 ARG HD2 . . 4.500 4.270 3.906 4.458 . 0 0 "[ . 1 . 2]" 1
475 1 23 ARG H 1 23 ARG QD . . 3.860 3.449 3.233 3.743 . 0 0 "[ . 1 . 2]" 1
476 1 23 ARG H 1 23 ARG HD3 . . 4.500 3.649 3.344 4.022 . 0 0 "[ . 1 . 2]" 1
477 1 23 ARG H 1 23 ARG HG2 . . 3.430 2.342 2.156 2.603 . 0 0 "[ . 1 . 2]" 1
478 1 23 ARG H 1 23 ARG HG3 . . 4.420 3.808 3.566 4.037 . 0 0 "[ . 1 . 2]" 1
479 1 23 ARG H 1 24 HIS H . . 2.970 1.983 1.826 2.148 . 0 0 "[ . 1 . 2]" 1
480 1 23 ARG H 1 24 HIS HA . . 4.930 4.695 4.553 4.832 . 0 0 "[ . 1 . 2]" 1
481 1 23 ARG H 1 27 ALA MB . . 5.500 5.123 4.853 5.379 . 0 0 "[ . 1 . 2]" 1
482 1 23 ARG HA 1 23 ARG HD2 . . 4.140 2.525 2.167 2.779 . 0 0 "[ . 1 . 2]" 1
483 1 23 ARG HA 1 23 ARG QD . . 3.330 2.368 2.135 2.564 . 0 0 "[ . 1 . 2]" 1
484 1 23 ARG HA 1 23 ARG HD3 . . 4.140 2.945 2.649 3.221 . 0 0 "[ . 1 . 2]" 1
485 1 23 ARG HA 1 23 ARG HG2 . . 3.370 3.262 3.151 3.370 . 0 0 "[ . 1 . 2]" 1
486 1 23 ARG HB2 1 23 ARG QD . . 3.680 3.299 3.276 3.315 . 0 0 "[ . 1 . 2]" 1
487 1 23 ARG HB2 1 24 HIS H . . 3.480 2.840 2.680 3.078 . 0 0 "[ . 1 . 2]" 1
488 1 23 ARG HB2 1 24 HIS HD2 . . 3.170 2.460 2.289 2.763 . 0 0 "[ . 1 . 2]" 1
489 1 23 ARG HB3 1 23 ARG QD . . 3.680 2.253 2.125 2.388 . 0 0 "[ . 1 . 2]" 1
490 1 23 ARG HB3 1 24 HIS H . . 4.330 4.036 3.919 4.194 . 0 0 "[ . 1 . 2]" 1
491 1 23 ARG HD2 1 24 HIS H . . 5.500 5.358 5.073 5.500 0.000 5 0 "[ . 1 . 2]" 1
492 1 23 ARG HD3 1 24 HIS H . . 5.500 5.256 5.003 5.441 . 0 0 "[ . 1 . 2]" 1
493 1 23 ARG HG2 1 24 HIS H . . 3.920 3.881 3.818 3.919 . 0 0 "[ . 1 . 2]" 1
494 1 23 ARG HG2 1 24 HIS HD2 . . 4.610 4.434 4.221 4.603 . 0 0 "[ . 1 . 2]" 1
495 1 24 HIS H 1 24 HIS HB2 . . 3.180 2.946 2.898 2.987 . 0 0 "[ . 1 . 2]" 1
496 1 24 HIS H 1 24 HIS HD1 . . 4.390 3.800 3.682 3.865 . 0 0 "[ . 1 . 2]" 1
497 1 24 HIS H 1 25 ASP H . . 4.650 4.504 4.390 4.556 . 0 0 "[ . 1 . 2]" 1
498 1 24 HIS H 1 27 ALA MB . . 5.050 4.815 4.626 5.034 . 0 0 "[ . 1 . 2]" 1
499 1 24 HIS HA 1 24 HIS HB3 . . 2.970 2.285 2.271 2.299 . 0 0 "[ . 1 . 2]" 1
500 1 24 HIS HA 1 24 HIS HD2 . . 4.040 2.957 2.890 3.044 . 0 0 "[ . 1 . 2]" 1
501 1 24 HIS HA 1 25 ASP H . . 2.900 2.666 2.558 2.784 . 0 0 "[ . 1 . 2]" 1
502 1 24 HIS HB2 1 25 ASP H . . 4.400 2.580 2.346 2.800 . 0 0 "[ . 1 . 2]" 1
503 1 24 HIS HB2 1 25 ASP HA . . 4.520 4.206 4.118 4.273 . 0 0 "[ . 1 . 2]" 1
504 1 24 HIS HB2 1 27 ALA H . . 4.900 4.497 4.296 4.802 . 0 0 "[ . 1 . 2]" 1
505 1 24 HIS HB3 1 24 HIS HD2 . . 3.380 3.341 3.255 3.377 . 0 0 "[ . 1 . 2]" 1
506 1 24 HIS HB3 1 25 ASP H . . 3.430 2.358 2.243 2.473 . 0 0 "[ . 1 . 2]" 1
507 1 25 ASP H 1 25 ASP HB2 . . 3.970 2.868 2.628 3.830 . 0 0 "[ . 1 . 2]" 1
508 1 25 ASP H 1 25 ASP QB . . 3.170 2.755 2.581 3.175 0.005 2 0 "[ . 1 . 2]" 1
509 1 25 ASP H 1 25 ASP HB3 . . 3.970 3.788 3.175 3.913 . 0 0 "[ . 1 . 2]" 1
510 1 25 ASP H 1 26 GLY H . . 4.330 4.147 4.019 4.281 . 0 0 "[ . 1 . 2]" 1
511 1 25 ASP H 1 26 GLY HA3 . . 5.460 4.808 4.727 4.864 . 0 0 "[ . 1 . 2]" 1
512 1 25 ASP H 1 27 ALA MB . . 5.500 5.358 5.144 5.482 . 0 0 "[ . 1 . 2]" 1
513 1 25 ASP H 1 94 ARG HB2 . . 5.030 4.374 3.810 4.845 . 0 0 "[ . 1 . 2]" 1
514 1 25 ASP H 1 94 ARG QB . . 4.370 3.963 3.463 4.370 0.000 6 0 "[ . 1 . 2]" 1
515 1 25 ASP H 1 94 ARG HB3 . . 5.030 4.536 3.978 4.971 . 0 0 "[ . 1 . 2]" 1
516 1 25 ASP H 1 94 ARG QD . . 5.500 3.917 3.059 4.660 . 0 0 "[ . 1 . 2]" 1
517 1 25 ASP H 1 94 ARG QG . . 4.440 2.616 2.032 3.419 . 0 0 "[ . 1 . 2]" 1
518 1 25 ASP HA 1 26 GLY H . . 3.120 2.149 2.143 2.169 . 0 0 "[ . 1 . 2]" 1
519 1 25 ASP HA 1 27 ALA H . . 3.790 3.630 3.512 3.706 . 0 0 "[ . 1 . 2]" 1
520 1 25 ASP HA 1 27 ALA MB . . 4.660 4.578 4.448 4.664 0.004 9 0 "[ . 1 . 2]" 1
521 1 25 ASP QB 1 26 GLY H . . 3.770 3.423 3.234 3.559 . 0 0 "[ . 1 . 2]" 1
522 1 25 ASP QB 1 91 ILE MG . . 3.820 3.530 2.914 3.767 . 0 0 "[ . 1 . 2]" 1
523 1 25 ASP HB2 1 26 GLY H . . 4.430 4.219 3.574 4.413 . 0 0 "[ . 1 . 2]" 1
524 1 25 ASP HB2 1 91 ILE MG . . 4.370 3.914 2.961 4.273 . 0 0 "[ . 1 . 2]" 1
525 1 25 ASP HB3 1 26 GLY H . . 4.430 3.658 3.394 4.363 . 0 0 "[ . 1 . 2]" 1
526 1 25 ASP HB3 1 91 ILE MG . . 4.370 4.106 3.749 4.375 0.005 9 0 "[ . 1 . 2]" 1
527 1 26 GLY H 1 27 ALA H . . 3.220 1.942 1.830 2.057 . 0 0 "[ . 1 . 2]" 1
528 1 26 GLY H 1 27 ALA MB . . 4.250 3.652 3.538 3.760 . 0 0 "[ . 1 . 2]" 1
529 1 26 GLY H 1 44 VAL QG . . 4.700 4.251 4.112 4.351 . 0 0 "[ . 1 . 2]" 1
530 1 26 GLY H 1 45 LYS H . . 4.380 4.247 4.034 4.386 0.006 2 0 "[ . 1 . 2]" 1
531 1 26 GLY H 1 45 LYS QB . . 4.210 3.180 2.560 3.574 . 0 0 "[ . 1 . 2]" 1
532 1 26 GLY H 1 45 LYS QG . . 4.690 3.687 3.121 4.558 . 0 0 "[ . 1 . 2]" 1
533 1 26 GLY H 1 91 ILE MG . . 4.510 4.390 4.064 4.512 0.002 3 0 "[ . 1 . 2]" 1
534 1 26 GLY HA2 1 44 VAL QG . . 3.470 2.741 2.581 2.941 . 0 0 "[ . 1 . 2]" 1
535 1 26 GLY HA2 1 91 ILE MD . . 4.770 4.546 4.352 4.768 . 0 0 "[ . 1 . 2]" 1
536 1 26 GLY HA2 1 91 ILE MG . . 3.820 3.180 2.824 3.425 . 0 0 "[ . 1 . 2]" 1
537 1 26 GLY HA2 1 93 LEU HA . . 4.630 4.458 4.189 4.644 0.014 10 0 "[ . 1 . 2]" 1
538 1 26 GLY HA2 1 94 ARG H . . 4.540 4.072 3.633 4.241 . 0 0 "[ . 1 . 2]" 1
539 1 26 GLY HA2 1 94 ARG QB . . 5.340 4.361 3.469 4.619 . 0 0 "[ . 1 . 2]" 1
540 1 26 GLY HA2 1 94 ARG QG . . 4.950 4.425 3.982 4.956 0.006 10 0 "[ . 1 . 2]" 1
541 1 26 GLY HA3 1 44 VAL QG . . 4.620 3.707 3.526 3.980 . 0 0 "[ . 1 . 2]" 1
542 1 26 GLY HA3 1 91 ILE MD . . 5.220 4.884 4.562 5.161 . 0 0 "[ . 1 . 2]" 1
543 1 26 GLY HA3 1 91 ILE MG . . 3.760 2.782 2.489 3.208 . 0 0 "[ . 1 . 2]" 1
544 1 26 GLY HA3 1 93 LEU HA . . 4.720 3.752 3.401 4.083 . 0 0 "[ . 1 . 2]" 1
545 1 26 GLY HA3 1 94 ARG H . . 4.180 2.972 2.654 3.181 . 0 0 "[ . 1 . 2]" 1
546 1 26 GLY HA3 1 94 ARG QB . . 4.120 3.309 2.085 3.684 . 0 0 "[ . 1 . 2]" 1
547 1 26 GLY HA3 1 94 ARG QG . . 5.340 3.005 2.504 3.766 . 0 0 "[ . 1 . 2]" 1
548 1 27 ALA H 1 27 ALA MB . . 2.920 2.180 2.024 2.233 . 0 0 "[ . 1 . 2]" 1
549 1 27 ALA H 1 28 PHE H . . 4.610 4.530 4.359 4.594 . 0 0 "[ . 1 . 2]" 1
550 1 27 ALA H 1 44 VAL QG . . 4.530 4.027 3.911 4.131 . 0 0 "[ . 1 . 2]" 1
551 1 27 ALA H 1 45 LYS H . . 4.050 3.546 3.390 3.715 . 0 0 "[ . 1 . 2]" 1
552 1 27 ALA H 1 45 LYS QB . . 3.560 2.845 2.371 3.249 . 0 0 "[ . 1 . 2]" 1
553 1 27 ALA H 1 91 ILE MG . . 5.500 5.400 5.122 5.498 . 0 0 "[ . 1 . 2]" 1
554 1 27 ALA H 1 94 ARG QG . . 4.790 4.191 3.935 4.438 . 0 0 "[ . 1 . 2]" 1
555 1 27 ALA HA 1 28 PHE H . . 3.200 2.155 2.143 2.182 . 0 0 "[ . 1 . 2]" 1
556 1 27 ALA HA 1 94 ARG H . . 4.780 3.416 2.849 4.347 . 0 0 "[ . 1 . 2]" 1
557 1 27 ALA HA 1 94 ARG QB . . 4.260 2.597 2.337 3.467 . 0 0 "[ . 1 . 2]" 1
558 1 27 ALA HA 1 94 ARG HG2 . . 5.270 4.895 4.052 5.251 . 0 0 "[ . 1 . 2]" 1
559 1 27 ALA HA 1 94 ARG QG . . 4.540 4.286 3.140 4.546 0.006 4 0 "[ . 1 . 2]" 1
560 1 27 ALA HA 1 94 ARG HG3 . . 5.270 4.752 3.271 5.235 . 0 0 "[ . 1 . 2]" 1
561 1 27 ALA HA 1 96 ILE HA . . 4.650 3.912 3.345 4.463 . 0 0 "[ . 1 . 2]" 1
562 1 27 ALA MB 1 28 PHE H . . 3.570 3.132 2.968 3.410 . 0 0 "[ . 1 . 2]" 1
563 1 27 ALA MB 1 45 LYS H . . 3.910 3.548 3.303 3.740 . 0 0 "[ . 1 . 2]" 1
564 1 27 ALA MB 1 45 LYS QB . . 3.290 2.810 2.408 3.087 . 0 0 "[ . 1 . 2]" 1
565 1 27 ALA MB 1 96 ILE HA . . 3.820 3.015 2.548 3.495 . 0 0 "[ . 1 . 2]" 1
566 1 27 ALA MB 1 96 ILE MG . . 4.400 4.235 3.897 4.408 0.008 12 0 "[ . 1 . 2]" 1
567 1 27 ALA MB 1 97 GLU H . . 4.450 4.292 3.852 4.446 . 0 0 "[ . 1 . 2]" 1
568 1 28 PHE H 1 28 PHE QD . . 4.040 2.504 1.960 3.160 . 0 0 "[ . 1 . 2]" 1
569 1 28 PHE H 1 29 LEU H . . 4.610 4.512 4.477 4.541 . 0 0 "[ . 1 . 2]" 1
570 1 28 PHE H 1 94 ARG H . . 4.450 3.944 3.669 4.331 . 0 0 "[ . 1 . 2]" 1
571 1 28 PHE H 1 94 ARG QB . . 4.880 4.083 3.901 4.388 . 0 0 "[ . 1 . 2]" 1
572 1 28 PHE H 1 95 ASP HA . . 4.820 4.393 3.903 4.648 . 0 0 "[ . 1 . 2]" 1
573 1 28 PHE H 1 96 ILE HB . . 4.480 3.033 2.681 3.297 . 0 0 "[ . 1 . 2]" 1
574 1 28 PHE H 1 96 ILE MD . . 5.500 4.537 4.164 5.381 . 0 0 "[ . 1 . 2]" 1
575 1 28 PHE H 1 96 ILE QG . . 4.260 4.237 4.068 4.271 0.011 14 0 "[ . 1 . 2]" 1
576 1 28 PHE H 1 96 ILE MG . . 4.710 4.361 3.886 4.685 . 0 0 "[ . 1 . 2]" 1
577 1 28 PHE HA 1 29 LEU H . . 3.330 2.256 2.183 2.315 . 0 0 "[ . 1 . 2]" 1
578 1 28 PHE HA 1 42 LEU MD1 . . 4.710 3.285 2.974 3.605 . 0 0 "[ . 1 . 2]" 1
579 1 28 PHE HA 1 42 LEU QD . . 3.870 2.898 2.626 3.480 . 0 0 "[ . 1 . 2]" 1
580 1 28 PHE HA 1 42 LEU MD2 . . 4.710 3.513 2.788 4.645 . 0 0 "[ . 1 . 2]" 1
581 1 28 PHE HA 1 43 SER H . . 4.530 4.162 4.008 4.365 . 0 0 "[ . 1 . 2]" 1
582 1 28 PHE HA 1 44 VAL HA . . 3.770 2.345 2.006 2.524 . 0 0 "[ . 1 . 2]" 1
583 1 28 PHE HA 1 44 VAL HB . . 4.510 4.420 4.150 4.526 0.016 4 0 "[ . 1 . 2]" 1
584 1 28 PHE HA 1 44 VAL QG . . 3.810 2.273 1.981 2.568 . 0 0 "[ . 1 . 2]" 1
585 1 28 PHE HA 1 45 LYS H . . 4.160 3.964 3.753 4.154 . 0 0 "[ . 1 . 2]" 1
586 1 28 PHE HA 1 96 ILE HB . . 5.430 4.866 4.496 5.092 . 0 0 "[ . 1 . 2]" 1
587 1 28 PHE QB 1 30 ILE MD . . 5.500 5.002 4.784 5.188 . 0 0 "[ . 1 . 2]" 1
588 1 28 PHE QB 1 42 LEU MD1 . . 3.770 2.478 1.786 3.083 . 0 0 "[ . 1 . 2]" 1
589 1 28 PHE QB 1 42 LEU QD . . 3.150 1.860 1.751 2.048 . 0 0 "[ . 1 . 2]" 1
590 1 28 PHE QB 1 42 LEU MD2 . . 3.770 2.306 1.767 3.432 . 0 0 "[ . 1 . 2]" 1
591 1 28 PHE QB 1 42 LEU HG . . 4.430 3.441 3.047 3.856 . 0 0 "[ . 1 . 2]" 1
592 1 28 PHE QB 1 44 VAL HA . . 3.970 3.653 3.290 3.909 . 0 0 "[ . 1 . 2]" 1
593 1 28 PHE QB 1 44 VAL HB . . 4.550 4.382 3.939 4.560 0.010 14 0 "[ . 1 . 2]" 1
594 1 28 PHE QB 1 44 VAL QG . . 4.110 2.136 1.902 2.415 . 0 0 "[ . 1 . 2]" 1
595 1 28 PHE QB 1 93 LEU QD . . 3.340 2.228 1.917 2.622 . 0 0 "[ . 1 . 2]" 1
596 1 28 PHE QD 1 42 LEU MD1 . . 4.400 3.449 1.917 4.336 . 0 0 "[ . 1 . 2]" 1
597 1 28 PHE QD 1 42 LEU QD . . 3.500 2.064 1.885 2.432 . 0 0 "[ . 1 . 2]" 1
598 1 28 PHE QD 1 42 LEU MD2 . . 4.400 2.706 1.889 4.326 . 0 0 "[ . 1 . 2]" 1
599 1 28 PHE QD 1 77 VAL QG . . 5.160 2.946 2.475 3.493 . 0 0 "[ . 1 . 2]" 1
600 1 28 PHE QD 1 93 LEU MD1 . . 4.710 3.531 3.050 4.299 . 0 0 "[ . 1 . 2]" 1
601 1 28 PHE QD 1 93 LEU QD . . 3.780 2.990 2.108 3.440 . 0 0 "[ . 1 . 2]" 1
602 1 28 PHE QD 1 93 LEU MD2 . . 4.710 3.458 2.121 4.496 . 0 0 "[ . 1 . 2]" 1
603 1 28 PHE QE 1 42 LEU QD . . 4.490 3.720 3.311 4.072 . 0 0 "[ . 1 . 2]" 1
604 1 28 PHE QE 1 77 VAL MG1 . . 4.160 2.302 1.842 2.828 . 0 0 "[ . 1 . 2]" 1
605 1 28 PHE QE 1 77 VAL MG2 . . 4.160 2.903 1.919 3.974 . 0 0 "[ . 1 . 2]" 1
606 1 29 LEU H 1 29 LEU QB . . 3.490 2.703 2.633 2.760 . 0 0 "[ . 1 . 2]" 1
607 1 29 LEU H 1 29 LEU MD1 . . 4.860 4.832 4.773 4.876 0.016 19 0 "[ . 1 . 2]" 1
608 1 29 LEU H 1 29 LEU QD . . 3.710 3.599 3.394 3.719 0.009 4 0 "[ . 1 . 2]" 1
609 1 29 LEU H 1 29 LEU MD2 . . 4.860 3.715 3.469 3.866 . 0 0 "[ . 1 . 2]" 1
610 1 29 LEU H 1 30 ILE H . . 4.460 4.003 3.894 4.119 . 0 0 "[ . 1 . 2]" 1
611 1 29 LEU H 1 30 ILE HG12 . . 5.140 4.872 4.675 5.107 . 0 0 "[ . 1 . 2]" 1
612 1 29 LEU H 1 42 LEU HA . . 4.560 4.092 3.877 4.411 . 0 0 "[ . 1 . 2]" 1
613 1 29 LEU H 1 42 LEU MD1 . . 4.650 2.854 2.162 3.275 . 0 0 "[ . 1 . 2]" 1
614 1 29 LEU H 1 42 LEU QD . . 3.770 2.108 1.846 2.602 . 0 0 "[ . 1 . 2]" 1
615 1 29 LEU H 1 42 LEU MD2 . . 4.650 2.879 1.868 4.649 . 0 0 "[ . 1 . 2]" 1
616 1 29 LEU H 1 43 SER H . . 3.610 2.441 2.296 2.621 . 0 0 "[ . 1 . 2]" 1
617 1 29 LEU H 1 43 SER QB . . 4.690 3.491 3.286 4.067 . 0 0 "[ . 1 . 2]" 1
618 1 29 LEU H 1 44 VAL HA . . 4.210 3.818 3.665 3.998 . 0 0 "[ . 1 . 2]" 1
619 1 29 LEU H 1 44 VAL QG . . 4.320 3.699 3.468 4.076 . 0 0 "[ . 1 . 2]" 1
620 1 29 LEU HA 1 29 LEU MD1 . . 4.000 3.604 3.454 3.792 . 0 0 "[ . 1 . 2]" 1
621 1 29 LEU HA 1 29 LEU QD . . 3.510 3.184 3.140 3.222 . 0 0 "[ . 1 . 2]" 1
622 1 29 LEU HA 1 29 LEU MD2 . . 4.000 3.557 3.379 3.682 . 0 0 "[ . 1 . 2]" 1
623 1 29 LEU HA 1 30 ILE H . . 3.300 2.141 2.139 2.149 . 0 0 "[ . 1 . 2]" 1
624 1 29 LEU HA 1 30 ILE MD . . 5.320 5.152 4.952 5.318 . 0 0 "[ . 1 . 2]" 1
625 1 29 LEU HA 1 30 ILE MG . . 5.500 5.473 5.456 5.482 . 0 0 "[ . 1 . 2]" 1
626 1 29 LEU QB 1 29 LEU MD1 . . 3.110 2.048 1.941 2.098 . 0 0 "[ . 1 . 2]" 1
627 1 29 LEU QB 1 29 LEU QD . . 2.680 1.817 1.761 1.870 . 0 0 "[ . 1 . 2]" 1
628 1 29 LEU QB 1 29 LEU MD2 . . 3.110 2.034 1.972 2.128 . 0 0 "[ . 1 . 2]" 1
629 1 29 LEU QB 1 43 SER QB . . 4.550 2.960 2.461 3.866 . 0 0 "[ . 1 . 2]" 1
630 1 29 LEU QB 1 96 ILE MD . . 2.830 2.061 1.863 2.836 0.006 18 0 "[ . 1 . 2]" 1
631 1 29 LEU QD 1 30 ILE H . . 3.870 3.476 3.211 3.642 . 0 0 "[ . 1 . 2]" 1
632 1 29 LEU QD 1 30 ILE HA . . 4.320 3.408 2.944 3.704 . 0 0 "[ . 1 . 2]" 1
633 1 29 LEU QD 1 31 ARG H . . 3.870 3.242 2.800 3.876 0.006 10 0 "[ . 1 . 2]" 1
634 1 29 LEU QD 1 31 ARG HA . . 4.150 3.535 3.259 3.923 . 0 0 "[ . 1 . 2]" 1
635 1 29 LEU QD 1 31 ARG QD . . 3.550 2.112 1.819 2.963 . 0 0 "[ . 1 . 2]" 1
636 1 29 LEU QD 1 42 LEU HA . . 4.780 4.370 4.093 4.618 . 0 0 "[ . 1 . 2]" 1
637 1 29 LEU QD 1 43 SER H . . 5.440 3.537 3.199 3.928 . 0 0 "[ . 1 . 2]" 1
638 1 29 LEU QD 1 43 SER QB . . 4.100 2.325 1.965 2.988 . 0 0 "[ . 1 . 2]" 1
639 1 29 LEU QD 1 96 ILE MD . . 3.770 2.321 2.122 2.846 . 0 0 "[ . 1 . 2]" 1
640 1 29 LEU MD1 1 30 ILE H . . 4.830 4.519 4.189 4.723 . 0 0 "[ . 1 . 2]" 1
641 1 29 LEU MD2 1 30 ILE H . . 4.830 3.625 3.292 3.840 . 0 0 "[ . 1 . 2]" 1
642 1 29 LEU HG 1 30 ILE H . . 3.480 3.067 2.806 3.267 . 0 0 "[ . 1 . 2]" 1
643 1 29 LEU HG 1 31 ARG H . . 5.000 4.925 4.698 5.008 0.008 2 0 "[ . 1 . 2]" 1
644 1 29 LEU HG 1 31 ARG QD . . 5.340 4.387 4.010 5.343 0.003 5 0 "[ . 1 . 2]" 1
645 1 29 LEU HG 1 43 SER H . . 5.500 5.353 5.069 5.496 . 0 0 "[ . 1 . 2]" 1
646 1 29 LEU HG 1 43 SER QB . . 5.340 4.806 4.481 5.331 . 0 0 "[ . 1 . 2]" 1
647 1 30 ILE H 1 30 ILE HB . . 3.790 2.537 2.457 2.595 . 0 0 "[ . 1 . 2]" 1
648 1 30 ILE H 1 30 ILE MD . . 4.180 3.810 3.685 3.901 . 0 0 "[ . 1 . 2]" 1
649 1 30 ILE H 1 30 ILE HG12 . . 4.290 3.604 3.442 3.752 . 0 0 "[ . 1 . 2]" 1
650 1 30 ILE H 1 30 ILE HG13 . . 4.800 2.450 2.360 2.629 . 0 0 "[ . 1 . 2]" 1
651 1 30 ILE H 1 30 ILE MG . . 4.460 3.798 3.768 3.824 . 0 0 "[ . 1 . 2]" 1
652 1 30 ILE H 1 31 ARG H . . 4.760 4.437 4.347 4.510 . 0 0 "[ . 1 . 2]" 1
653 1 30 ILE H 1 43 SER H . . 5.190 4.545 4.357 4.728 . 0 0 "[ . 1 . 2]" 1
654 1 30 ILE HA 1 30 ILE MD . . 4.060 3.811 3.748 3.869 . 0 0 "[ . 1 . 2]" 1
655 1 30 ILE HA 1 30 ILE HG12 . . 4.190 2.516 2.433 2.616 . 0 0 "[ . 1 . 2]" 1
656 1 30 ILE HA 1 30 ILE MG . . 3.600 2.423 2.376 2.460 . 0 0 "[ . 1 . 2]" 1
657 1 30 ILE HA 1 31 ARG H . . 3.350 2.148 2.139 2.185 . 0 0 "[ . 1 . 2]" 1
658 1 30 ILE HA 1 42 LEU HA . . 3.900 2.167 2.006 2.430 . 0 0 "[ . 1 . 2]" 1
659 1 30 ILE HA 1 42 LEU QB . . 5.490 3.922 3.741 4.283 . 0 0 "[ . 1 . 2]" 1
660 1 30 ILE HA 1 43 SER H . . 4.210 3.337 3.077 3.512 . 0 0 "[ . 1 . 2]" 1
661 1 30 ILE HB 1 30 ILE MD . . 3.590 2.487 2.369 2.566 . 0 0 "[ . 1 . 2]" 1
662 1 30 ILE HB 1 40 PHE HD1 . . 5.250 4.177 3.944 4.434 . 0 0 "[ . 1 . 2]" 1
663 1 30 ILE HB 1 42 LEU QD . . 4.330 4.064 3.838 4.328 . 0 0 "[ . 1 . 2]" 1
664 1 30 ILE HB 1 73 LEU QD . . 5.130 3.821 3.497 4.150 . 0 0 "[ . 1 . 2]" 1
665 1 30 ILE MD 1 30 ILE MG . . 3.020 1.986 1.873 2.125 . 0 0 "[ . 1 . 2]" 1
666 1 30 ILE MD 1 31 ARG H . . 5.500 5.120 4.915 5.322 . 0 0 "[ . 1 . 2]" 1
667 1 30 ILE MD 1 40 PHE HA . . 5.500 5.494 5.424 5.524 0.024 20 0 "[ . 1 . 2]" 1
668 1 30 ILE MD 1 40 PHE QB . . 4.600 3.627 3.486 3.821 . 0 0 "[ . 1 . 2]" 1
669 1 30 ILE MD 1 41 SER H . . 5.500 4.936 4.724 5.129 . 0 0 "[ . 1 . 2]" 1
670 1 30 ILE MD 1 42 LEU HA . . 4.220 4.002 3.701 4.206 . 0 0 "[ . 1 . 2]" 1
671 1 30 ILE MD 1 42 LEU HG . . 4.980 4.452 3.805 4.999 0.019 12 0 "[ . 1 . 2]" 1
672 1 30 ILE MD 1 73 LEU HA . . 4.700 4.424 4.163 4.644 . 0 0 "[ . 1 . 2]" 1
673 1 30 ILE MD 1 73 LEU MD1 . . 3.720 2.573 2.146 2.965 . 0 0 "[ . 1 . 2]" 1
674 1 30 ILE MD 1 73 LEU QD . . 3.100 2.326 2.066 2.549 . 0 0 "[ . 1 . 2]" 1
675 1 30 ILE MD 1 73 LEU MD2 . . 3.720 2.700 2.417 2.971 . 0 0 "[ . 1 . 2]" 1
676 1 30 ILE MD 1 73 LEU HG . . 4.700 4.609 4.386 4.716 0.016 20 0 "[ . 1 . 2]" 1
677 1 30 ILE MD 1 76 LEU QB . . 5.200 3.961 3.564 4.892 . 0 0 "[ . 1 . 2]" 1
678 1 30 ILE MD 1 77 VAL HA . . 4.600 4.430 4.223 4.600 0.000 19 0 "[ . 1 . 2]" 1
679 1 30 ILE MD 1 77 VAL HB . . 4.640 4.555 4.273 4.658 0.018 20 0 "[ . 1 . 2]" 1
680 1 30 ILE MD 1 77 VAL QG . . 4.070 2.223 2.000 2.381 . 0 0 "[ . 1 . 2]" 1
681 1 30 ILE HG12 1 31 ARG H . . 4.640 4.437 4.346 4.590 . 0 0 "[ . 1 . 2]" 1
682 1 30 ILE HG12 1 40 PHE HD1 . . 5.500 5.332 5.069 5.484 . 0 0 "[ . 1 . 2]" 1
683 1 30 ILE HG12 1 41 SER H . . 5.130 4.939 4.731 5.132 0.002 18 0 "[ . 1 . 2]" 1
684 1 30 ILE HG12 1 42 LEU MD1 . . 4.420 3.548 1.875 4.437 0.017 4 0 "[ . 1 . 2]" 1
685 1 30 ILE HG12 1 42 LEU QD . . 3.400 1.959 1.871 1.988 . 0 0 "[ . 1 . 2]" 1
686 1 30 ILE HG12 1 42 LEU MD2 . . 4.420 2.695 1.939 4.380 . 0 0 "[ . 1 . 2]" 1
687 1 30 ILE HG12 1 43 SER H . . 4.430 4.041 3.730 4.283 . 0 0 "[ . 1 . 2]" 1
688 1 30 ILE HG13 1 30 ILE MG . . 3.680 3.193 3.186 3.201 . 0 0 "[ . 1 . 2]" 1
689 1 30 ILE HG13 1 42 LEU HA . . 4.460 3.574 3.187 3.843 . 0 0 "[ . 1 . 2]" 1
690 1 30 ILE HG13 1 42 LEU QD . . 3.290 2.244 1.950 2.489 . 0 0 "[ . 1 . 2]" 1
691 1 30 ILE HG13 1 73 LEU QD . . 5.440 4.600 4.291 4.883 . 0 0 "[ . 1 . 2]" 1
692 1 30 ILE MG 1 31 ARG H . . 3.480 2.574 2.310 2.825 . 0 0 "[ . 1 . 2]" 1
693 1 30 ILE MG 1 31 ARG HA . . 4.430 3.668 3.556 3.811 . 0 0 "[ . 1 . 2]" 1
694 1 30 ILE MG 1 32 GLU H . . 5.010 4.660 4.433 4.840 . 0 0 "[ . 1 . 2]" 1
695 1 30 ILE MG 1 40 PHE HA . . 4.320 3.272 3.122 3.438 . 0 0 "[ . 1 . 2]" 1
696 1 30 ILE MG 1 40 PHE HB2 . . 4.010 3.923 3.728 4.017 0.007 13 0 "[ . 1 . 2]" 1
697 1 30 ILE MG 1 40 PHE HB3 . . 4.010 2.490 2.330 2.593 . 0 0 "[ . 1 . 2]" 1
698 1 30 ILE MG 1 40 PHE HD1 . . 3.360 2.003 1.818 2.187 . 0 0 "[ . 1 . 2]" 1
699 1 30 ILE MG 1 40 PHE QE . . 4.380 3.385 2.914 3.709 . 0 0 "[ . 1 . 2]" 1
700 1 30 ILE MG 1 41 SER H . . 3.990 2.485 2.263 2.681 . 0 0 "[ . 1 . 2]" 1
701 1 30 ILE MG 1 42 LEU HA . . 4.610 3.309 2.978 3.617 . 0 0 "[ . 1 . 2]" 1
702 1 30 ILE MG 1 42 LEU HG . . 5.500 5.500 5.463 5.511 0.011 20 0 "[ . 1 . 2]" 1
703 1 30 ILE MG 1 73 LEU MD1 . . 3.560 2.515 2.214 2.753 . 0 0 "[ . 1 . 2]" 1
704 1 30 ILE MG 1 73 LEU MD2 . . 3.560 3.301 3.016 3.559 . 0 0 "[ . 1 . 2]" 1
705 1 31 ARG H 1 31 ARG QB . . 3.670 2.938 2.731 3.055 . 0 0 "[ . 1 . 2]" 1
706 1 31 ARG H 1 31 ARG QD . . 4.500 2.923 2.138 3.850 . 0 0 "[ . 1 . 2]" 1
707 1 31 ARG H 1 31 ARG QG . . 4.000 2.030 1.889 2.359 . 0 0 "[ . 1 . 2]" 1
708 1 31 ARG H 1 32 GLU H . . 4.550 4.506 4.449 4.542 . 0 0 "[ . 1 . 2]" 1
709 1 31 ARG H 1 40 PHE HA . . 5.190 4.889 4.541 5.195 0.005 13 0 "[ . 1 . 2]" 1
710 1 31 ARG H 1 42 LEU QD . . 5.440 4.692 4.442 5.270 . 0 0 "[ . 1 . 2]" 1
711 1 31 ARG HA 1 32 GLU H . . 3.320 2.295 2.219 2.403 . 0 0 "[ . 1 . 2]" 1
712 1 31 ARG QB 1 32 GLU H . . 3.710 2.671 2.395 2.881 . 0 0 "[ . 1 . 2]" 1
713 1 31 ARG HB2 1 32 GLU H . . 4.230 2.725 2.429 2.952 . 0 0 "[ . 1 . 2]" 1
714 1 31 ARG HB3 1 32 GLU H . . 4.230 3.860 3.645 4.081 . 0 0 "[ . 1 . 2]" 1
715 1 31 ARG QG 1 41 SER H . . 4.270 3.469 3.067 3.815 . 0 0 "[ . 1 . 2]" 1
716 1 31 ARG QG 1 41 SER QB . . 4.470 2.981 2.107 3.716 . 0 0 "[ . 1 . 2]" 1
717 1 32 GLU H 1 32 GLU QB . . 3.590 2.408 2.235 2.529 . 0 0 "[ . 1 . 2]" 1
718 1 32 GLU HA 1 33 SER H . . 3.410 2.237 2.154 2.368 . 0 0 "[ . 1 . 2]" 1
719 1 32 GLU HA 1 33 SER QB . . 4.550 4.243 4.038 4.496 . 0 0 "[ . 1 . 2]" 1
720 1 32 GLU HA 1 40 PHE HA . . 3.850 3.043 2.777 3.233 . 0 0 "[ . 1 . 2]" 1
721 1 32 GLU HA 1 41 SER H . . 4.250 3.903 3.538 4.075 . 0 0 "[ . 1 . 2]" 1
722 1 32 GLU QB 1 40 PHE QE . . 3.990 3.495 2.530 3.989 . 0 0 "[ . 1 . 2]" 1
723 1 32 GLU HB2 1 33 SER H . . 4.510 4.143 3.985 4.384 . 0 0 "[ . 1 . 2]" 1
724 1 32 GLU HB3 1 33 SER H . . 4.510 3.786 3.212 4.000 . 0 0 "[ . 1 . 2]" 1
725 1 32 GLU QG 1 33 SER H . . 3.650 2.275 1.897 2.826 . 0 0 "[ . 1 . 2]" 1
726 1 32 GLU QG 1 38 GLY H . . 4.340 3.167 2.498 4.001 . 0 0 "[ . 1 . 2]" 1
727 1 32 GLU QG 1 40 PHE HA . . 4.340 3.801 3.157 4.270 . 0 0 "[ . 1 . 2]" 1
728 1 32 GLU QG 1 40 PHE HD1 . . 4.940 4.191 3.600 4.805 . 0 0 "[ . 1 . 2]" 1
729 1 32 GLU HG2 1 39 ASP H . . 4.630 3.936 3.327 4.372 . 0 0 "[ . 1 . 2]" 1
730 1 32 GLU HG3 1 39 ASP H . . 4.630 3.960 3.426 4.579 . 0 0 "[ . 1 . 2]" 1
731 1 33 SER H 1 33 SER HB2 . . 3.940 2.205 2.070 2.533 . 0 0 "[ . 1 . 2]" 1
732 1 33 SER H 1 33 SER QB . . 3.450 2.180 2.049 2.485 . 0 0 "[ . 1 . 2]" 1
733 1 33 SER H 1 33 SER HB3 . . 3.940 3.450 3.151 3.593 . 0 0 "[ . 1 . 2]" 1
734 1 33 SER H 1 36 ALA MB . . 4.520 4.091 3.781 4.498 . 0 0 "[ . 1 . 2]" 1
735 1 33 SER H 1 39 ASP H . . 4.260 4.105 3.880 4.257 . 0 0 "[ . 1 . 2]" 1
736 1 33 SER H 1 39 ASP QB . . 4.630 2.992 2.387 3.404 . 0 0 "[ . 1 . 2]" 1
737 1 33 SER H 1 40 PHE HA . . 4.510 4.308 3.839 4.518 0.008 6 0 "[ . 1 . 2]" 1
738 1 33 SER HA 1 34 GLU H . . 2.930 2.378 2.158 2.546 . 0 0 "[ . 1 . 2]" 1
739 1 33 SER HA 1 34 GLU HG2 . . 4.780 3.568 3.300 3.907 . 0 0 "[ . 1 . 2]" 1
740 1 33 SER HA 1 34 GLU HG3 . . 4.780 4.320 3.761 4.779 . 0 0 "[ . 1 . 2]" 1
741 1 33 SER HA 1 35 SER H . . 4.860 4.482 3.975 4.860 0.000 1 0 "[ . 1 . 2]" 1
742 1 33 SER QB 1 35 SER H . . 5.180 3.128 2.303 3.670 . 0 0 "[ . 1 . 2]" 1
743 1 33 SER QB 1 36 ALA H . . 3.290 2.220 1.911 2.699 . 0 0 "[ . 1 . 2]" 1
744 1 33 SER QB 1 36 ALA MB . . 3.340 1.960 1.739 2.299 . 0 0 "[ . 1 . 2]" 1
745 1 33 SER QB 1 39 ASP H . . 4.120 3.727 3.288 4.125 0.005 18 0 "[ . 1 . 2]" 1
746 1 33 SER QB 1 39 ASP QB . . 3.450 2.337 1.986 2.752 . 0 0 "[ . 1 . 2]" 1
747 1 33 SER HB2 1 36 ALA H . . 3.800 3.327 2.545 3.786 . 0 0 "[ . 1 . 2]" 1
748 1 33 SER HB2 1 36 ALA MB . . 3.850 2.276 1.961 2.791 . 0 0 "[ . 1 . 2]" 1
749 1 33 SER HB2 1 39 ASP HB2 . . 4.750 3.076 2.238 3.922 . 0 0 "[ . 1 . 2]" 1
750 1 33 SER HB2 1 39 ASP HB3 . . 4.750 2.554 2.010 3.161 . 0 0 "[ . 1 . 2]" 1
751 1 33 SER HB3 1 36 ALA H . . 3.800 2.280 1.943 2.997 . 0 0 "[ . 1 . 2]" 1
752 1 33 SER HB3 1 36 ALA MB . . 3.850 2.200 1.909 2.620 . 0 0 "[ . 1 . 2]" 1
753 1 33 SER HB3 1 39 ASP HB2 . . 4.750 4.316 3.560 4.754 0.004 16 0 "[ . 1 . 2]" 1
754 1 33 SER HB3 1 39 ASP HB3 . . 4.750 3.990 3.135 4.421 . 0 0 "[ . 1 . 2]" 1
755 1 34 GLU H 1 34 GLU QB . . 3.090 2.818 2.500 3.046 . 0 0 "[ . 1 . 2]" 1
756 1 34 GLU H 1 34 GLU HG2 . . 3.770 2.209 1.900 2.688 . 0 0 "[ . 1 . 2]" 1
757 1 34 GLU H 1 34 GLU QG . . 3.180 2.004 1.820 2.516 . 0 0 "[ . 1 . 2]" 1
758 1 34 GLU H 1 34 GLU HG3 . . 3.770 2.386 2.030 3.028 . 0 0 "[ . 1 . 2]" 1
759 1 34 GLU H 1 35 SER H . . 3.350 2.415 2.100 2.964 . 0 0 "[ . 1 . 2]" 1
760 1 34 GLU H 1 36 ALA H . . 4.280 3.420 3.017 3.958 . 0 0 "[ . 1 . 2]" 1
761 1 34 GLU HA 1 34 GLU HG2 . . 3.810 3.128 2.534 3.716 . 0 0 "[ . 1 . 2]" 1
762 1 34 GLU HA 1 34 GLU HG3 . . 3.810 3.750 3.654 3.805 . 0 0 "[ . 1 . 2]" 1
763 1 34 GLU HA 1 36 ALA H . . 4.360 4.076 3.741 4.324 . 0 0 "[ . 1 . 2]" 1
764 1 34 GLU QB 1 35 SER H . . 3.570 2.740 1.962 3.359 . 0 0 "[ . 1 . 2]" 1
765 1 34 GLU QB 1 36 ALA H . . 4.840 4.494 4.087 4.766 . 0 0 "[ . 1 . 2]" 1
766 1 34 GLU QG 1 35 SER H . . 3.920 2.841 2.002 3.843 . 0 0 "[ . 1 . 2]" 1
767 1 34 GLU HG2 1 35 SER H . . 4.470 3.819 2.936 4.382 . 0 0 "[ . 1 . 2]" 1
768 1 34 GLU HG3 1 35 SER H . . 4.470 2.972 2.038 4.252 . 0 0 "[ . 1 . 2]" 1
769 1 35 SER H 1 35 SER HB2 . . 3.610 2.466 2.164 3.629 0.019 7 0 "[ . 1 . 2]" 1
770 1 35 SER H 1 35 SER HB3 . . 3.610 3.335 2.479 3.559 . 0 0 "[ . 1 . 2]" 1
771 1 35 SER H 1 36 ALA H . . 3.010 2.402 1.880 2.895 . 0 0 "[ . 1 . 2]" 1
772 1 35 SER H 1 36 ALA MB . . 4.000 3.736 3.424 4.006 0.006 7 0 "[ . 1 . 2]" 1
773 1 35 SER HB2 1 36 ALA H . . 4.320 3.961 3.538 4.334 0.014 7 0 "[ . 1 . 2]" 1
774 1 35 SER HB3 1 36 ALA H . . 4.320 4.056 3.398 4.332 0.012 14 0 "[ . 1 . 2]" 1
775 1 36 ALA H 1 36 ALA MB . . 3.080 2.502 2.303 2.680 . 0 0 "[ . 1 . 2]" 1
776 1 36 ALA H 1 37 PRO HA . . 4.900 4.630 4.441 4.872 . 0 0 "[ . 1 . 2]" 1
777 1 36 ALA H 1 37 PRO QD . . 4.050 3.446 3.191 3.683 . 0 0 "[ . 1 . 2]" 1
778 1 36 ALA H 1 39 ASP QB . . 5.340 4.676 4.337 5.044 . 0 0 "[ . 1 . 2]" 1
779 1 36 ALA HA 1 37 PRO HA . . 4.670 4.582 4.553 4.619 . 0 0 "[ . 1 . 2]" 1
780 1 36 ALA HA 1 37 PRO QD . . 3.300 1.910 1.873 1.972 . 0 0 "[ . 1 . 2]" 1
781 1 36 ALA HA 1 37 PRO QG . . 4.200 3.820 3.790 3.869 . 0 0 "[ . 1 . 2]" 1
782 1 36 ALA MB 1 37 PRO QD . . 3.550 3.355 3.265 3.441 . 0 0 "[ . 1 . 2]" 1
783 1 36 ALA MB 1 39 ASP H . . 4.090 3.549 3.255 4.100 0.010 18 0 "[ . 1 . 2]" 1
784 1 36 ALA MB 1 39 ASP HB2 . . 3.480 2.271 1.975 2.831 . 0 0 "[ . 1 . 2]" 1
785 1 36 ALA MB 1 39 ASP HB3 . . 3.480 2.891 2.144 3.363 . 0 0 "[ . 1 . 2]" 1
786 1 37 PRO HA 1 38 GLY H . . 3.150 2.169 2.155 2.223 . 0 0 "[ . 1 . 2]" 1
787 1 37 PRO HA 1 38 GLY HA2 . . 4.560 4.391 4.348 4.437 . 0 0 "[ . 1 . 2]" 1
788 1 37 PRO HA 1 38 GLY HA3 . . 4.560 4.412 4.395 4.488 . 0 0 "[ . 1 . 2]" 1
789 1 37 PRO HA 1 39 ASP H . . 3.820 3.564 3.362 3.824 0.004 14 0 "[ . 1 . 2]" 1
790 1 37 PRO QB 1 38 GLY H . . 4.000 3.403 3.006 3.634 . 0 0 "[ . 1 . 2]" 1
791 1 38 GLY H 1 39 ASP H . . 3.500 2.419 2.124 2.716 . 0 0 "[ . 1 . 2]" 1
792 1 39 ASP H 1 39 ASP HB2 . . 3.410 2.349 2.077 2.950 . 0 0 "[ . 1 . 2]" 1
793 1 39 ASP H 1 39 ASP QB . . 2.960 2.213 2.055 2.396 . 0 0 "[ . 1 . 2]" 1
794 1 39 ASP H 1 39 ASP HB3 . . 3.410 2.985 2.335 3.397 . 0 0 "[ . 1 . 2]" 1
795 1 39 ASP H 1 40 PHE H . . 4.540 4.468 4.333 4.560 0.020 4 0 "[ . 1 . 2]" 1
796 1 39 ASP HA 1 40 PHE H . . 3.000 2.172 2.139 2.494 . 0 0 "[ . 1 . 2]" 1
797 1 39 ASP HA 1 40 PHE HA . . 4.550 4.400 4.383 4.509 . 0 0 "[ . 1 . 2]" 1
798 1 39 ASP QB 1 40 PHE H . . 4.260 3.569 2.817 3.836 . 0 0 "[ . 1 . 2]" 1
799 1 40 PHE H 1 40 PHE HB2 . . 4.140 2.492 2.298 2.712 . 0 0 "[ . 1 . 2]" 1
800 1 40 PHE H 1 40 PHE QB . . 3.540 2.453 2.268 2.655 . 0 0 "[ . 1 . 2]" 1
801 1 40 PHE H 1 40 PHE HB3 . . 4.140 3.666 3.488 3.781 . 0 0 "[ . 1 . 2]" 1
802 1 40 PHE H 1 40 PHE HD1 . . 5.110 4.984 4.743 5.096 . 0 0 "[ . 1 . 2]" 1
803 1 40 PHE H 1 73 LEU QD . . 5.440 4.810 4.385 5.306 . 0 0 "[ . 1 . 2]" 1
804 1 40 PHE HA 1 40 PHE HD1 . . 3.750 2.599 2.150 2.838 . 0 0 "[ . 1 . 2]" 1
805 1 40 PHE HA 1 40 PHE QE . . 4.720 4.404 4.165 4.510 . 0 0 "[ . 1 . 2]" 1
806 1 40 PHE HA 1 41 SER H . . 3.310 2.207 2.169 2.255 . 0 0 "[ . 1 . 2]" 1
807 1 40 PHE HA 1 55 VAL HB . . 4.770 4.501 4.333 4.623 . 0 0 "[ . 1 . 2]" 1
808 1 40 PHE HA 1 55 VAL MG1 . . 5.390 5.034 4.839 5.213 . 0 0 "[ . 1 . 2]" 1
809 1 40 PHE QB 1 41 SER H . . 3.770 2.972 2.864 3.104 . 0 0 "[ . 1 . 2]" 1
810 1 40 PHE QB 1 55 VAL HB . . 3.860 2.491 2.161 2.745 . 0 0 "[ . 1 . 2]" 1
811 1 40 PHE QB 1 55 VAL MG1 . . 3.440 2.494 2.223 2.802 . 0 0 "[ . 1 . 2]" 1
812 1 40 PHE QB 1 55 VAL MG2 . . 3.580 2.739 2.276 3.114 . 0 0 "[ . 1 . 2]" 1
813 1 40 PHE QB 1 73 LEU QD . . 3.530 2.480 2.075 2.772 . 0 0 "[ . 1 . 2]" 1
814 1 40 PHE HB2 1 41 SER H . . 4.360 4.179 4.066 4.240 . 0 0 "[ . 1 . 2]" 1
815 1 40 PHE HB2 1 55 VAL HB . . 4.420 2.626 2.221 2.991 . 0 0 "[ . 1 . 2]" 1
816 1 40 PHE HB2 1 55 VAL MG1 . . 3.920 2.585 2.253 2.958 . 0 0 "[ . 1 . 2]" 1
817 1 40 PHE HB2 1 55 VAL MG2 . . 4.250 3.364 2.935 3.837 . 0 0 "[ . 1 . 2]" 1
818 1 40 PHE HB2 1 73 LEU MD1 . . 4.520 3.591 3.285 3.868 . 0 0 "[ . 1 . 2]" 1
819 1 40 PHE HB2 1 73 LEU MD2 . . 4.520 3.193 2.454 3.542 . 0 0 "[ . 1 . 2]" 1
820 1 40 PHE HB3 1 41 SER H . . 4.360 3.041 2.927 3.192 . 0 0 "[ . 1 . 2]" 1
821 1 40 PHE HB3 1 55 VAL HB . . 4.420 3.136 2.712 3.347 . 0 0 "[ . 1 . 2]" 1
822 1 40 PHE HB3 1 55 VAL MG1 . . 3.920 3.323 3.155 3.472 . 0 0 "[ . 1 . 2]" 1
823 1 40 PHE HB3 1 55 VAL MG2 . . 4.250 2.908 2.356 3.369 . 0 0 "[ . 1 . 2]" 1
824 1 40 PHE HB3 1 73 LEU MD1 . . 4.520 3.081 2.604 3.449 . 0 0 "[ . 1 . 2]" 1
825 1 40 PHE HB3 1 73 LEU MD2 . . 4.520 2.949 2.304 3.421 . 0 0 "[ . 1 . 2]" 1
826 1 40 PHE HD1 1 41 SER H . . 4.450 3.363 2.640 3.699 . 0 0 "[ . 1 . 2]" 1
827 1 40 PHE HD1 1 73 LEU QD . . 4.780 2.813 2.449 3.594 . 0 0 "[ . 1 . 2]" 1
828 1 40 PHE QE 1 63 TYR QE . . 3.950 2.883 2.031 3.738 . 0 0 "[ . 1 . 2]" 1
829 1 40 PHE QE 1 73 LEU MD1 . . 4.810 2.645 2.293 2.929 . 0 0 "[ . 1 . 2]" 1
830 1 40 PHE QE 1 73 LEU QD . . 4.200 2.616 2.279 2.891 . 0 0 "[ . 1 . 2]" 1
831 1 40 PHE QE 1 73 LEU MD2 . . 4.810 4.177 3.570 4.476 . 0 0 "[ . 1 . 2]" 1
832 1 40 PHE HZ 1 73 LEU MD1 . . 5.500 2.985 2.544 3.374 . 0 0 "[ . 1 . 2]" 1
833 1 40 PHE HZ 1 73 LEU QD . . 4.340 2.967 2.531 3.329 . 0 0 "[ . 1 . 2]" 1
834 1 40 PHE HZ 1 73 LEU MD2 . . 5.500 5.183 4.550 5.495 . 0 0 "[ . 1 . 2]" 1
835 1 40 PHE HZ 1 73 LEU HG . . 5.500 4.918 4.316 5.311 . 0 0 "[ . 1 . 2]" 1
836 1 41 SER H 1 55 VAL HB . . 5.080 4.614 4.470 4.722 . 0 0 "[ . 1 . 2]" 1
837 1 41 SER H 1 55 VAL MG1 . . 5.500 5.489 5.360 5.513 0.013 2 0 "[ . 1 . 2]" 1
838 1 41 SER HA 1 42 LEU H . . 3.380 2.143 2.138 2.162 . 0 0 "[ . 1 . 2]" 1
839 1 41 SER HA 1 54 LYS HA . . 4.240 3.172 2.773 3.373 . 0 0 "[ . 1 . 2]" 1
840 1 41 SER HA 1 55 VAL H . . 3.780 2.751 2.436 3.009 . 0 0 "[ . 1 . 2]" 1
841 1 41 SER HB2 1 42 LEU H . . 4.500 3.702 3.301 4.283 . 0 0 "[ . 1 . 2]" 1
842 1 41 SER HB3 1 42 LEU H . . 4.500 4.186 3.233 4.506 0.006 11 0 "[ . 1 . 2]" 1
843 1 42 LEU H 1 42 LEU QB . . 3.740 2.271 2.232 2.304 . 0 0 "[ . 1 . 2]" 1
844 1 42 LEU H 1 42 LEU MD1 . . 4.290 4.009 3.784 4.309 0.019 14 0 "[ . 1 . 2]" 1
845 1 42 LEU H 1 42 LEU MD2 . . 4.290 4.151 4.116 4.213 . 0 0 "[ . 1 . 2]" 1
846 1 42 LEU H 1 42 LEU HG . . 4.810 4.575 4.316 4.708 . 0 0 "[ . 1 . 2]" 1
847 1 42 LEU H 1 43 SER H . . 4.690 4.553 4.499 4.591 . 0 0 "[ . 1 . 2]" 1
848 1 42 LEU H 1 53 PHE H . . 4.060 3.133 3.031 3.327 . 0 0 "[ . 1 . 2]" 1
849 1 42 LEU H 1 54 LYS HA . . 4.730 4.054 3.673 4.280 . 0 0 "[ . 1 . 2]" 1
850 1 42 LEU H 1 55 VAL H . . 4.120 3.833 3.439 4.073 . 0 0 "[ . 1 . 2]" 1
851 1 42 LEU H 1 55 VAL MG2 . . 4.700 2.855 2.575 3.215 . 0 0 "[ . 1 . 2]" 1
852 1 42 LEU HA 1 42 LEU MD1 . . 3.940 2.904 2.103 3.252 . 0 0 "[ . 1 . 2]" 1
853 1 42 LEU HA 1 42 LEU QD . . 3.260 2.089 1.926 2.638 . 0 0 "[ . 1 . 2]" 1
854 1 42 LEU HA 1 42 LEU MD2 . . 3.940 2.660 1.941 3.978 0.038 12 0 "[ . 1 . 2]" 1
855 1 42 LEU HA 1 42 LEU HG . . 4.090 3.523 2.924 3.808 . 0 0 "[ . 1 . 2]" 1
856 1 42 LEU HA 1 43 SER H . . 3.180 2.219 2.152 2.346 . 0 0 "[ . 1 . 2]" 1
857 1 42 LEU HA 1 43 SER QB . . 4.570 4.034 3.823 4.485 . 0 0 "[ . 1 . 2]" 1
858 1 42 LEU QB 1 43 SER H . . 4.180 3.590 3.371 3.742 . 0 0 "[ . 1 . 2]" 1
859 1 42 LEU QB 1 44 VAL H . . 5.440 5.138 5.017 5.199 . 0 0 "[ . 1 . 2]" 1
860 1 42 LEU QB 1 53 PHE H . . 4.490 3.018 2.703 3.345 . 0 0 "[ . 1 . 2]" 1
861 1 42 LEU QB 1 53 PHE HB2 . . 2.980 2.457 2.170 2.761 . 0 0 "[ . 1 . 2]" 1
862 1 42 LEU QB 1 53 PHE QD . . 4.240 3.241 2.434 3.630 . 0 0 "[ . 1 . 2]" 1
863 1 42 LEU QD 1 43 SER H . . 3.270 2.103 1.842 2.631 . 0 0 "[ . 1 . 2]" 1
864 1 42 LEU QD 1 43 SER HA . . 4.100 3.221 2.697 4.102 0.002 5 0 "[ . 1 . 2]" 1
865 1 42 LEU QD 1 43 SER QB . . 4.410 3.712 3.413 4.413 0.003 10 0 "[ . 1 . 2]" 1
866 1 42 LEU QD 1 44 VAL H . . 3.940 3.052 2.460 3.945 0.005 5 0 "[ . 1 . 2]" 1
867 1 42 LEU QD 1 44 VAL HA . . 4.280 3.515 3.137 4.175 . 0 0 "[ . 1 . 2]" 1
868 1 42 LEU QD 1 44 VAL HB . . 3.870 2.807 2.318 3.511 . 0 0 "[ . 1 . 2]" 1
869 1 42 LEU QD 1 44 VAL QG . . 3.300 2.291 1.963 2.777 . 0 0 "[ . 1 . 2]" 1
870 1 42 LEU QD 1 52 HIS HA . . 5.440 3.414 2.720 4.375 . 0 0 "[ . 1 . 2]" 1
871 1 42 LEU QD 1 53 PHE H . . 4.240 3.320 2.712 4.134 . 0 0 "[ . 1 . 2]" 1
872 1 42 LEU QD 1 53 PHE HB2 . . 3.630 2.937 2.436 3.284 . 0 0 "[ . 1 . 2]" 1
873 1 42 LEU QD 1 53 PHE HB3 . . 4.650 4.309 3.688 4.652 0.002 11 0 "[ . 1 . 2]" 1
874 1 42 LEU QD 1 53 PHE QD . . 3.750 2.168 1.956 2.701 . 0 0 "[ . 1 . 2]" 1
875 1 42 LEU QD 1 77 VAL QG . . 4.080 3.083 2.674 3.496 . 0 0 "[ . 1 . 2]" 1
876 1 42 LEU QD 1 93 LEU QD . . 2.890 2.460 2.014 2.739 . 0 0 "[ . 1 . 2]" 1
877 1 42 LEU MD1 1 43 SER H . . 4.010 2.411 2.174 2.689 . 0 0 "[ . 1 . 2]" 1
878 1 42 LEU MD1 1 43 SER HA . . 4.790 3.424 2.735 4.771 . 0 0 "[ . 1 . 2]" 1
879 1 42 LEU MD1 1 44 VAL H . . 4.790 3.360 2.480 4.803 0.013 14 0 "[ . 1 . 2]" 1
880 1 42 LEU MD1 1 44 VAL HA . . 5.070 3.732 3.293 4.638 . 0 0 "[ . 1 . 2]" 1
881 1 42 LEU MD1 1 53 PHE H . . 5.250 3.786 2.726 5.236 . 0 0 "[ . 1 . 2]" 1
882 1 42 LEU MD1 1 93 LEU MD1 . . 3.780 3.291 2.525 3.784 0.004 15 0 "[ . 1 . 2]" 1
883 1 42 LEU MD1 1 93 LEU MD2 . . 3.780 3.322 2.781 3.783 0.003 10 0 "[ . 1 . 2]" 1
884 1 42 LEU MD2 1 43 SER H . . 4.010 2.740 1.950 3.983 . 0 0 "[ . 1 . 2]" 1
885 1 42 LEU MD2 1 43 SER HA . . 4.790 4.288 3.959 4.773 . 0 0 "[ . 1 . 2]" 1
886 1 42 LEU MD2 1 44 VAL H . . 4.790 4.272 3.760 4.703 . 0 0 "[ . 1 . 2]" 1
887 1 42 LEU MD2 1 44 VAL HA . . 5.070 4.371 3.916 4.953 . 0 0 "[ . 1 . 2]" 1
888 1 42 LEU MD2 1 53 PHE H . . 5.250 4.699 3.671 5.229 . 0 0 "[ . 1 . 2]" 1
889 1 42 LEU MD2 1 93 LEU MD1 . . 3.780 3.103 2.249 3.697 . 0 0 "[ . 1 . 2]" 1
890 1 42 LEU MD2 1 93 LEU MD2 . . 3.780 3.220 2.649 3.786 0.006 15 0 "[ . 1 . 2]" 1
891 1 42 LEU HG 1 43 SER H . . 4.690 3.607 2.070 4.538 . 0 0 "[ . 1 . 2]" 1
892 1 42 LEU HG 1 44 VAL QG . . 3.980 3.646 3.302 3.903 . 0 0 "[ . 1 . 2]" 1
893 1 42 LEU HG 1 53 PHE QD . . 4.700 3.916 2.908 4.575 . 0 0 "[ . 1 . 2]" 1
894 1 43 SER H 1 43 SER HB2 . . 4.190 2.948 2.438 3.912 . 0 0 "[ . 1 . 2]" 1
895 1 43 SER H 1 43 SER QB . . 3.550 2.591 2.398 3.054 . 0 0 "[ . 1 . 2]" 1
896 1 43 SER H 1 43 SER HB3 . . 4.190 3.130 2.528 3.843 . 0 0 "[ . 1 . 2]" 1
897 1 43 SER H 1 53 PHE H . . 5.210 4.909 4.596 5.092 . 0 0 "[ . 1 . 2]" 1
898 1 43 SER HA 1 44 VAL H . . 3.140 2.153 2.143 2.172 . 0 0 "[ . 1 . 2]" 1
899 1 43 SER HA 1 44 VAL HB . . 4.600 4.301 4.276 4.320 . 0 0 "[ . 1 . 2]" 1
900 1 43 SER HA 1 44 VAL QG . . 5.150 4.368 4.323 4.425 . 0 0 "[ . 1 . 2]" 1
901 1 43 SER HA 1 50 VAL QG . . 4.080 3.850 3.548 4.009 . 0 0 "[ . 1 . 2]" 1
902 1 43 SER HA 1 52 HIS HA . . 3.600 2.189 1.999 2.422 . 0 0 "[ . 1 . 2]" 1
903 1 43 SER HA 1 52 HIS QB . . 4.750 2.589 2.122 3.411 . 0 0 "[ . 1 . 2]" 1
904 1 43 SER QB 1 44 VAL H . . 4.070 3.757 3.513 3.941 . 0 0 "[ . 1 . 2]" 1
905 1 43 SER QB 1 50 VAL QG . . 3.650 3.244 2.624 3.655 0.005 14 0 "[ . 1 . 2]" 1
906 1 43 SER HB2 1 44 VAL H . . 4.700 4.420 3.733 4.625 . 0 0 "[ . 1 . 2]" 1
907 1 43 SER HB3 1 44 VAL H . . 4.700 4.131 3.682 4.574 . 0 0 "[ . 1 . 2]" 1
908 1 44 VAL H 1 44 VAL HB . . 3.720 2.344 2.263 2.379 . 0 0 "[ . 1 . 2]" 1
909 1 44 VAL H 1 44 VAL QG . . 3.810 3.006 2.903 3.037 . 0 0 "[ . 1 . 2]" 1
910 1 44 VAL H 1 45 LYS HA . . 5.500 5.065 4.988 5.211 . 0 0 "[ . 1 . 2]" 1
911 1 44 VAL H 1 50 VAL HA . . 5.500 5.358 5.167 5.498 . 0 0 "[ . 1 . 2]" 1
912 1 44 VAL H 1 50 VAL QG . . 4.140 3.665 3.183 3.969 . 0 0 "[ . 1 . 2]" 1
913 1 44 VAL H 1 51 GLN H . . 4.230 4.025 3.691 4.233 0.003 4 0 "[ . 1 . 2]" 1
914 1 44 VAL H 1 52 HIS HA . . 3.470 2.700 2.585 2.957 . 0 0 "[ . 1 . 2]" 1
915 1 44 VAL H 1 53 PHE H . . 5.460 4.717 4.569 4.897 . 0 0 "[ . 1 . 2]" 1
916 1 44 VAL H 1 53 PHE QD . . 4.770 3.826 3.493 4.137 . 0 0 "[ . 1 . 2]" 1
917 1 44 VAL HA 1 45 LYS H . . 3.190 2.224 2.151 2.307 . 0 0 "[ . 1 . 2]" 1
918 1 44 VAL HA 1 45 LYS HB2 . . 4.870 4.591 4.320 4.875 0.005 19 0 "[ . 1 . 2]" 1
919 1 44 VAL HA 1 45 LYS QB . . 4.270 4.045 4.004 4.066 . 0 0 "[ . 1 . 2]" 1
920 1 44 VAL HA 1 45 LYS HB3 . . 4.870 4.506 4.304 4.733 . 0 0 "[ . 1 . 2]" 1
921 1 44 VAL HA 1 50 VAL QG . . 4.580 4.175 3.693 4.425 . 0 0 "[ . 1 . 2]" 1
922 1 44 VAL HB 1 45 LYS H . . 5.330 4.266 4.123 4.450 . 0 0 "[ . 1 . 2]" 1
923 1 44 VAL HB 1 46 PHE QE . . 4.410 3.723 3.395 3.945 . 0 0 "[ . 1 . 2]" 1
924 1 44 VAL HB 1 93 LEU QD . . 4.420 3.698 3.323 4.153 . 0 0 "[ . 1 . 2]" 1
925 1 44 VAL QG 1 45 LYS H . . 3.350 2.327 2.053 2.699 . 0 0 "[ . 1 . 2]" 1
926 1 44 VAL QG 1 45 LYS HA . . 4.010 3.451 3.314 3.602 . 0 0 "[ . 1 . 2]" 1
927 1 44 VAL QG 1 46 PHE H . . 4.760 3.876 3.509 4.082 . 0 0 "[ . 1 . 2]" 1
928 1 44 VAL QG 1 46 PHE HB3 . . 4.910 4.583 4.370 4.697 . 0 0 "[ . 1 . 2]" 1
929 1 44 VAL QG 1 46 PHE QE . . 3.900 2.348 2.171 2.529 . 0 0 "[ . 1 . 2]" 1
930 1 44 VAL QG 1 46 PHE HZ . . 4.340 2.420 2.287 2.552 . 0 0 "[ . 1 . 2]" 1
931 1 44 VAL QG 1 51 GLN H . . 3.650 3.368 3.027 3.613 . 0 0 "[ . 1 . 2]" 1
932 1 44 VAL QG 1 51 GLN QG . . 4.080 3.797 3.499 4.001 . 0 0 "[ . 1 . 2]" 1
933 1 44 VAL QG 1 52 HIS H . . 5.500 5.269 5.230 5.317 . 0 0 "[ . 1 . 2]" 1
934 1 44 VAL QG 1 53 PHE QD . . 4.520 4.004 3.810 4.147 . 0 0 "[ . 1 . 2]" 1
935 1 44 VAL QG 1 53 PHE QE . . 3.500 3.040 2.755 3.293 . 0 0 "[ . 1 . 2]" 1
936 1 44 VAL QG 1 85 VAL QG . . 4.440 2.902 2.147 4.116 . 0 0 "[ . 1 . 2]" 1
937 1 44 VAL QG 1 93 LEU HA . . 4.230 3.159 2.744 3.439 . 0 0 "[ . 1 . 2]" 1
938 1 44 VAL QG 1 93 LEU MD1 . . 3.730 3.038 1.674 3.629 . 0 0 "[ . 1 . 2]" 1
939 1 44 VAL QG 1 93 LEU MD2 . . 3.730 2.227 1.702 3.484 . 0 0 "[ . 1 . 2]" 1
940 1 44 VAL QG 1 94 ARG H . . 5.500 3.917 3.629 4.076 . 0 0 "[ . 1 . 2]" 1
941 1 45 LYS H 1 45 LYS HB2 . . 3.640 2.894 2.740 3.048 . 0 0 "[ . 1 . 2]" 1
942 1 45 LYS H 1 45 LYS HB3 . . 3.640 2.381 2.218 2.607 . 0 0 "[ . 1 . 2]" 1
943 1 45 LYS H 1 45 LYS QG . . 4.700 3.930 3.788 4.045 . 0 0 "[ . 1 . 2]" 1
944 1 45 LYS H 1 46 PHE H . . 4.630 4.499 4.369 4.572 . 0 0 "[ . 1 . 2]" 1
945 1 45 LYS H 1 50 VAL QG . . 4.380 3.952 3.402 4.263 . 0 0 "[ . 1 . 2]" 1
946 1 45 LYS HA 1 45 LYS HG2 . . 4.120 3.439 3.232 3.755 . 0 0 "[ . 1 . 2]" 1
947 1 45 LYS HA 1 45 LYS HG3 . . 4.120 2.606 2.340 2.837 . 0 0 "[ . 1 . 2]" 1
948 1 45 LYS HA 1 46 PHE H . . 3.090 2.170 2.141 2.211 . 0 0 "[ . 1 . 2]" 1
949 1 45 LYS HA 1 50 VAL MG1 . . 3.650 2.884 2.260 3.685 0.035 19 0 "[ . 1 . 2]" 1
950 1 45 LYS HA 1 50 VAL QG . . 3.090 2.496 2.005 2.769 . 0 0 "[ . 1 . 2]" 1
951 1 45 LYS HA 1 50 VAL MG2 . . 3.650 2.780 2.126 3.182 . 0 0 "[ . 1 . 2]" 1
952 1 45 LYS QB 1 46 PHE H . . 3.930 3.706 3.600 3.893 . 0 0 "[ . 1 . 2]" 1
953 1 45 LYS QB 1 50 VAL QG . . 4.090 2.800 2.199 3.088 . 0 0 "[ . 1 . 2]" 1
954 1 45 LYS HB2 1 46 PHE H . . 4.560 4.103 3.995 4.347 . 0 0 "[ . 1 . 2]" 1
955 1 45 LYS HB3 1 46 PHE H . . 4.560 4.226 4.062 4.483 . 0 0 "[ . 1 . 2]" 1
956 1 45 LYS QG 1 46 PHE H . . 3.350 2.600 2.180 3.127 . 0 0 "[ . 1 . 2]" 1
957 1 45 LYS HG2 1 46 PHE H . . 3.830 3.445 2.860 3.825 . 0 0 "[ . 1 . 2]" 1
958 1 45 LYS HG2 1 47 GLY H . . 4.480 3.439 3.088 3.901 . 0 0 "[ . 1 . 2]" 1
959 1 45 LYS HG3 1 46 PHE H . . 3.830 2.730 2.198 3.350 . 0 0 "[ . 1 . 2]" 1
960 1 45 LYS HG3 1 47 GLY H . . 4.480 4.173 3.487 4.443 . 0 0 "[ . 1 . 2]" 1
961 1 46 PHE H 1 46 PHE HB2 . . 3.590 2.590 2.414 2.676 . 0 0 "[ . 1 . 2]" 1
962 1 46 PHE H 1 46 PHE HB3 . . 3.960 3.722 3.622 3.764 . 0 0 "[ . 1 . 2]" 1
963 1 46 PHE H 1 47 GLY H . . 4.030 3.851 3.698 4.003 . 0 0 "[ . 1 . 2]" 1
964 1 46 PHE H 1 47 GLY QA . . 5.340 4.773 4.646 4.927 . 0 0 "[ . 1 . 2]" 1
965 1 46 PHE H 1 49 ASP H . . 3.780 3.554 3.208 3.782 0.002 4 0 "[ . 1 . 2]" 1
966 1 46 PHE H 1 50 VAL H . . 4.790 4.585 4.112 4.802 0.012 20 0 "[ . 1 . 2]" 1
967 1 46 PHE H 1 50 VAL MG1 . . 4.610 4.289 3.832 4.585 . 0 0 "[ . 1 . 2]" 1
968 1 46 PHE H 1 50 VAL QG . . 3.780 3.430 2.929 3.705 . 0 0 "[ . 1 . 2]" 1
969 1 46 PHE H 1 50 VAL MG2 . . 4.610 3.617 3.033 3.941 . 0 0 "[ . 1 . 2]" 1
970 1 46 PHE H 1 51 GLN H . . 4.200 3.441 3.011 3.784 . 0 0 "[ . 1 . 2]" 1
971 1 46 PHE HA 1 46 PHE HD1 . . 3.440 2.114 2.001 2.294 . 0 0 "[ . 1 . 2]" 1
972 1 46 PHE HA 1 46 PHE QE . . 4.290 4.235 4.183 4.299 0.009 10 0 "[ . 1 . 2]" 1
973 1 46 PHE HA 1 47 GLY H . . 3.000 2.217 2.167 2.245 . 0 0 "[ . 1 . 2]" 1
974 1 46 PHE HA 1 91 ILE MD . . 4.730 3.736 3.259 4.094 . 0 0 "[ . 1 . 2]" 1
975 1 46 PHE HA 1 91 ILE MG . . 4.850 4.694 4.114 4.856 0.006 8 0 "[ . 1 . 2]" 1
976 1 46 PHE HB2 1 47 GLY H . . 4.540 4.555 4.530 4.575 0.035 17 0 "[ . 1 . 2]" 1
977 1 46 PHE HB2 1 51 GLN H . . 4.600 3.687 3.218 4.213 . 0 0 "[ . 1 . 2]" 1
978 1 46 PHE HB2 1 51 GLN QG . . 4.410 2.551 2.097 2.980 . 0 0 "[ . 1 . 2]" 1
979 1 46 PHE HB3 1 46 PHE HD1 . . 3.240 2.835 2.732 2.907 . 0 0 "[ . 1 . 2]" 1
980 1 46 PHE HB3 1 47 GLY H . . 4.010 3.940 3.795 4.006 . 0 0 "[ . 1 . 2]" 1
981 1 46 PHE HB3 1 91 ILE MD . . 4.370 4.061 3.576 4.366 . 0 0 "[ . 1 . 2]" 1
982 1 46 PHE HD1 1 47 GLY H . . 4.190 3.905 3.618 4.117 . 0 0 "[ . 1 . 2]" 1
983 1 46 PHE HD1 1 91 ILE MD . . 3.810 2.176 1.929 2.532 . 0 0 "[ . 1 . 2]" 1
984 1 46 PHE HD1 1 91 ILE MG . . 3.830 3.451 3.040 3.747 . 0 0 "[ . 1 . 2]" 1
985 1 46 PHE QE 1 91 ILE MD . . 3.680 2.106 1.862 2.396 . 0 0 "[ . 1 . 2]" 1
986 1 46 PHE QE 1 91 ILE MG . . 4.020 2.502 1.922 2.932 . 0 0 "[ . 1 . 2]" 1
987 1 47 GLY H 1 48 ASN H . . 4.730 4.435 4.273 4.560 . 0 0 "[ . 1 . 2]" 1
988 1 47 GLY H 1 49 ASP H . . 4.560 4.401 4.320 4.497 . 0 0 "[ . 1 . 2]" 1
989 1 47 GLY QA 1 48 ASN H . . 3.080 2.129 2.109 2.181 . 0 0 "[ . 1 . 2]" 1
990 1 47 GLY QA 1 49 ASP H . . 3.790 3.466 3.249 3.705 . 0 0 "[ . 1 . 2]" 1
991 1 47 GLY HA2 1 48 ASN H . . 3.520 3.310 3.160 3.437 . 0 0 "[ . 1 . 2]" 1
992 1 47 GLY HA3 1 48 ASN H . . 3.520 2.156 2.137 2.206 . 0 0 "[ . 1 . 2]" 1
993 1 48 ASN H 1 48 ASN HB2 . . 3.570 2.487 2.220 3.477 . 0 0 "[ . 1 . 2]" 1
994 1 48 ASN H 1 48 ASN QB . . 3.120 2.376 2.187 3.112 . 0 0 "[ . 1 . 2]" 1
995 1 48 ASN H 1 48 ASN HB3 . . 3.570 3.247 2.716 3.511 . 0 0 "[ . 1 . 2]" 1
996 1 48 ASN H 1 49 ASP H . . 3.280 2.553 2.309 2.798 . 0 0 "[ . 1 . 2]" 1
997 1 48 ASN QB 1 48 ASN QD . . 2.950 2.125 2.063 2.222 . 0 0 "[ . 1 . 2]" 1
998 1 48 ASN QB 1 49 ASP H . . 3.890 3.712 3.564 3.876 . 0 0 "[ . 1 . 2]" 1
999 1 48 ASN HB2 1 48 ASN HD22 . . 4.030 3.715 3.434 4.016 . 0 0 "[ . 1 . 2]" 1
1000 1 48 ASN HB2 1 49 ASP H . . 4.650 4.204 3.923 4.448 . 0 0 "[ . 1 . 2]" 1
1001 1 48 ASN HB3 1 48 ASN HD22 . . 4.030 3.604 3.435 4.017 . 0 0 "[ . 1 . 2]" 1
1002 1 48 ASN HB3 1 49 ASP H . . 4.650 4.158 3.907 4.647 . 0 0 "[ . 1 . 2]" 1
1003 1 49 ASP H 1 49 ASP QB . . 3.060 2.734 2.551 2.984 . 0 0 "[ . 1 . 2]" 1
1004 1 49 ASP H 1 50 VAL H . . 4.380 4.190 3.891 4.364 . 0 0 "[ . 1 . 2]" 1
1005 1 49 ASP H 1 50 VAL HA . . 4.800 4.623 4.446 4.729 . 0 0 "[ . 1 . 2]" 1
1006 1 49 ASP H 1 50 VAL QG . . 4.540 4.272 4.069 4.516 . 0 0 "[ . 1 . 2]" 1
1007 1 49 ASP HA 1 50 VAL H . . 2.600 2.161 2.140 2.233 . 0 0 "[ . 1 . 2]" 1
1008 1 49 ASP HA 1 50 VAL QG . . 5.440 3.582 3.340 3.808 . 0 0 "[ . 1 . 2]" 1
1009 1 49 ASP QB 1 50 VAL H . . 3.510 3.261 2.855 3.506 . 0 0 "[ . 1 . 2]" 1
1010 1 49 ASP QB 1 50 VAL HA . . 4.550 4.369 4.190 4.476 . 0 0 "[ . 1 . 2]" 1
1011 1 50 VAL H 1 50 VAL HB . . 3.110 2.555 2.401 3.140 0.030 19 0 "[ . 1 . 2]" 1
1012 1 50 VAL H 1 50 VAL MG1 . . 3.930 3.694 1.789 3.848 . 0 0 "[ . 1 . 2]" 1
1013 1 50 VAL H 1 50 VAL QG . . 2.990 2.422 1.785 2.633 . 0 0 "[ . 1 . 2]" 1
1014 1 50 VAL H 1 50 VAL MG2 . . 3.930 2.546 2.190 3.634 . 0 0 "[ . 1 . 2]" 1
1015 1 50 VAL H 1 51 GLN H . . 4.790 4.351 4.143 4.538 . 0 0 "[ . 1 . 2]" 1
1016 1 50 VAL H 1 51 GLN QG . . 5.500 4.789 4.504 5.114 . 0 0 "[ . 1 . 2]" 1
1017 1 50 VAL HA 1 51 GLN H . . 3.010 2.154 2.141 2.190 . 0 0 "[ . 1 . 2]" 1
1018 1 50 VAL HB 1 51 GLN H . . 4.790 4.297 4.045 4.440 . 0 0 "[ . 1 . 2]" 1
1019 1 50 VAL QG 1 51 GLN H . . 3.430 2.773 2.233 3.097 . 0 0 "[ . 1 . 2]" 1
1020 1 50 VAL MG1 1 51 GLN H . . 4.370 2.903 2.244 4.308 . 0 0 "[ . 1 . 2]" 1
1021 1 50 VAL MG2 1 51 GLN H . . 4.370 4.039 2.720 4.236 . 0 0 "[ . 1 . 2]" 1
1022 1 51 GLN H 1 51 GLN HB2 . . 3.980 2.588 2.473 2.767 . 0 0 "[ . 1 . 2]" 1
1023 1 51 GLN H 1 51 GLN QB . . 3.440 2.539 2.435 2.694 . 0 0 "[ . 1 . 2]" 1
1024 1 51 GLN H 1 51 GLN HB3 . . 3.980 3.681 3.629 3.780 . 0 0 "[ . 1 . 2]" 1
1025 1 51 GLN H 1 51 GLN QG . . 3.780 2.440 2.179 2.808 . 0 0 "[ . 1 . 2]" 1
1026 1 51 GLN H 1 52 HIS H . . 4.600 4.520 4.471 4.552 . 0 0 "[ . 1 . 2]" 1
1027 1 51 GLN HA 1 51 GLN QG . . 3.540 2.814 2.365 3.180 . 0 0 "[ . 1 . 2]" 1
1028 1 51 GLN HA 1 52 HIS H . . 3.320 2.511 2.484 2.518 . 0 0 "[ . 1 . 2]" 1
1029 1 52 HIS H 1 53 PHE QE . . 5.200 4.556 4.209 4.959 . 0 0 "[ . 1 . 2]" 1
1030 1 52 HIS HA 1 52 HIS HD2 . . 4.730 4.048 2.964 4.700 . 0 0 "[ . 1 . 2]" 1
1031 1 52 HIS HA 1 53 PHE H . . 3.450 2.434 2.355 2.496 . 0 0 "[ . 1 . 2]" 1
1032 1 52 HIS HA 1 53 PHE HA . . 4.700 4.480 4.440 4.522 . 0 0 "[ . 1 . 2]" 1
1033 1 52 HIS HA 1 53 PHE QD . . 4.190 2.938 2.549 3.412 . 0 0 "[ . 1 . 2]" 1
1034 1 52 HIS QB 1 53 PHE H . . 4.660 2.414 2.231 2.624 . 0 0 "[ . 1 . 2]" 1
1035 1 53 PHE H 1 53 PHE QD . . 4.120 2.854 2.495 3.130 . 0 0 "[ . 1 . 2]" 1
1036 1 53 PHE HB3 1 54 LYS H . . 4.580 3.430 3.122 3.666 . 0 0 "[ . 1 . 2]" 1
1037 1 54 LYS H 1 54 LYS QB . . 3.690 2.089 2.057 2.120 . 0 0 "[ . 1 . 2]" 1
1038 1 54 LYS H 1 54 LYS HG2 . . 4.710 3.617 3.219 3.951 . 0 0 "[ . 1 . 2]" 1
1039 1 54 LYS H 1 54 LYS QG . . 4.150 3.205 3.065 3.350 . 0 0 "[ . 1 . 2]" 1
1040 1 54 LYS H 1 54 LYS HG3 . . 4.710 3.638 3.299 3.972 . 0 0 "[ . 1 . 2]" 1
1041 1 54 LYS HA 1 54 LYS QD . . 4.610 3.282 2.221 3.975 . 0 0 "[ . 1 . 2]" 1
1042 1 54 LYS HA 1 55 VAL H . . 3.450 2.147 2.141 2.171 . 0 0 "[ . 1 . 2]" 1
1043 1 54 LYS QB 1 55 VAL H . . 4.200 3.549 3.373 3.720 . 0 0 "[ . 1 . 2]" 1
1044 1 55 VAL H 1 55 VAL HB . . 3.800 2.391 2.314 2.488 . 0 0 "[ . 1 . 2]" 1
1045 1 55 VAL H 1 55 VAL MG1 . . 3.720 3.730 3.677 3.781 0.061 11 0 "[ . 1 . 2]" 1
1046 1 55 VAL H 1 55 VAL MG2 . . 4.090 2.512 2.305 2.858 . 0 0 "[ . 1 . 2]" 1
1047 1 55 VAL H 1 56 LEU H . . 4.710 4.532 4.437 4.596 . 0 0 "[ . 1 . 2]" 1
1048 1 55 VAL HA 1 55 VAL MG1 . . 3.410 2.497 2.445 2.533 . 0 0 "[ . 1 . 2]" 1
1049 1 55 VAL HA 1 55 VAL MG2 . . 3.460 2.305 2.209 2.378 . 0 0 "[ . 1 . 2]" 1
1050 1 55 VAL HA 1 56 LEU QD . . 4.610 3.323 2.813 4.163 . 0 0 "[ . 1 . 2]" 1
1051 1 55 VAL HA 1 64 PHE H . . 5.020 4.626 4.447 4.916 . 0 0 "[ . 1 . 2]" 1
1052 1 55 VAL HB 1 63 TYR QD . . 4.730 4.575 4.133 4.715 . 0 0 "[ . 1 . 2]" 1
1053 1 55 VAL HB 1 73 LEU QD . . 5.060 3.979 3.534 4.429 . 0 0 "[ . 1 . 2]" 1
1054 1 55 VAL MG1 1 56 LEU H . . 4.180 2.517 2.171 2.861 . 0 0 "[ . 1 . 2]" 1
1055 1 55 VAL MG1 1 56 LEU HA . . 4.070 3.604 3.344 3.794 . 0 0 "[ . 1 . 2]" 1
1056 1 55 VAL MG1 1 57 ARG QB . . 4.880 3.956 2.957 4.583 . 0 0 "[ . 1 . 2]" 1
1057 1 55 VAL MG1 1 57 ARG HE . . 4.670 3.795 2.262 4.663 . 0 0 "[ . 1 . 2]" 1
1058 1 55 VAL MG1 1 63 TYR QD . . 4.500 2.307 1.923 2.712 . 0 0 "[ . 1 . 2]" 1
1059 1 55 VAL MG1 1 64 PHE H . . 4.370 2.971 2.781 3.181 . 0 0 "[ . 1 . 2]" 1
1060 1 55 VAL MG1 1 73 LEU QD . . 4.170 2.465 2.035 2.872 . 0 0 "[ . 1 . 2]" 1
1061 1 55 VAL MG1 1 76 LEU QD . . 3.550 2.930 2.432 3.297 . 0 0 "[ . 1 . 2]" 1
1062 1 55 VAL MG2 1 56 LEU H . . 3.900 3.834 3.672 3.916 0.016 11 0 "[ . 1 . 2]" 1
1063 1 55 VAL MG2 1 64 PHE H . . 4.910 4.841 4.723 4.910 . 0 0 "[ . 1 . 2]" 1
1064 1 55 VAL MG2 1 73 LEU QD . . 3.340 2.887 2.388 3.290 . 0 0 "[ . 1 . 2]" 1
1065 1 55 VAL MG2 1 76 LEU QD . . 3.420 2.871 2.487 3.327 . 0 0 "[ . 1 . 2]" 1
1066 1 56 LEU H 1 56 LEU QD . . 4.210 2.577 2.047 3.234 . 0 0 "[ . 1 . 2]" 1
1067 1 56 LEU H 1 64 PHE H . . 3.990 3.175 2.982 3.456 . 0 0 "[ . 1 . 2]" 1
1068 1 56 LEU HA 1 56 LEU QD . . 3.860 2.207 1.892 2.893 . 0 0 "[ . 1 . 2]" 1
1069 1 56 LEU HA 1 57 ARG H . . 3.170 2.255 2.140 2.585 . 0 0 "[ . 1 . 2]" 1
1070 1 56 LEU HA 1 57 ARG HA . . 4.610 4.441 4.392 4.598 . 0 0 "[ . 1 . 2]" 1
1071 1 56 LEU QB 1 57 ARG H . . 3.550 2.895 2.030 3.513 . 0 0 "[ . 1 . 2]" 1
1072 1 56 LEU QB 1 64 PHE H . . 4.200 3.584 3.147 4.134 . 0 0 "[ . 1 . 2]" 1
1073 1 56 LEU QB 1 64 PHE HD1 . . 4.100 2.901 1.955 3.952 . 0 0 "[ . 1 . 2]" 1
1074 1 56 LEU QB 1 64 PHE QE . . 4.280 2.330 1.813 2.930 . 0 0 "[ . 1 . 2]" 1
1075 1 56 LEU HB2 1 64 PHE H . . 5.030 3.828 3.339 4.545 . 0 0 "[ . 1 . 2]" 1
1076 1 56 LEU HB2 1 64 PHE HD1 . . 4.710 3.351 2.028 4.636 . 0 0 "[ . 1 . 2]" 1
1077 1 56 LEU HB3 1 64 PHE H . . 5.030 4.426 3.693 5.025 . 0 0 "[ . 1 . 2]" 1
1078 1 56 LEU HB3 1 64 PHE HD1 . . 4.710 3.363 2.005 4.456 . 0 0 "[ . 1 . 2]" 1
1079 1 56 LEU QD 1 64 PHE H . . 5.440 4.671 4.253 5.209 . 0 0 "[ . 1 . 2]" 1
1080 1 56 LEU QD 1 64 PHE QE . . 4.490 3.425 2.621 3.931 . 0 0 "[ . 1 . 2]" 1
1081 1 56 LEU HG 1 57 ARG H . . 5.290 4.370 3.138 5.128 . 0 0 "[ . 1 . 2]" 1
1082 1 56 LEU HG 1 64 PHE QE . . 4.670 3.881 2.922 4.607 . 0 0 "[ . 1 . 2]" 1
1083 1 57 ARG H 1 57 ARG HB2 . . 4.170 3.237 2.587 3.993 . 0 0 "[ . 1 . 2]" 1
1084 1 57 ARG H 1 57 ARG QB . . 3.610 2.899 2.542 3.252 . 0 0 "[ . 1 . 2]" 1
1085 1 57 ARG H 1 57 ARG HB3 . . 4.170 3.630 3.161 3.901 . 0 0 "[ . 1 . 2]" 1
1086 1 57 ARG H 1 57 ARG QD . . 4.710 3.264 2.430 4.579 . 0 0 "[ . 1 . 2]" 1
1087 1 57 ARG H 1 57 ARG HG2 . . 4.560 3.595 2.100 4.566 0.006 10 0 "[ . 1 . 2]" 1
1088 1 57 ARG H 1 57 ARG QG . . 3.920 2.852 2.090 3.790 . 0 0 "[ . 1 . 2]" 1
1089 1 57 ARG H 1 57 ARG HG3 . . 4.560 3.525 2.696 4.144 . 0 0 "[ . 1 . 2]" 1
1090 1 57 ARG H 1 58 ASP H . . 4.470 4.359 4.187 4.462 . 0 0 "[ . 1 . 2]" 1
1091 1 57 ARG HA 1 57 ARG QD . . 4.210 3.910 3.077 4.198 . 0 0 "[ . 1 . 2]" 1
1092 1 57 ARG HA 1 58 ASP H . . 3.470 2.270 2.140 2.524 . 0 0 "[ . 1 . 2]" 1
1093 1 57 ARG HA 1 63 TYR HA . . 3.870 2.564 2.019 2.878 . 0 0 "[ . 1 . 2]" 1
1094 1 57 ARG HA 1 64 PHE H . . 4.330 3.848 3.546 4.270 . 0 0 "[ . 1 . 2]" 1
1095 1 57 ARG HA 1 64 PHE HD1 . . 4.380 3.497 2.771 4.132 . 0 0 "[ . 1 . 2]" 1
1096 1 57 ARG QB 1 57 ARG HE . . 4.770 3.463 1.981 3.981 . 0 0 "[ . 1 . 2]" 1
1097 1 57 ARG QB 1 63 TYR QD . . 4.180 3.234 2.106 4.152 . 0 0 "[ . 1 . 2]" 1
1098 1 57 ARG QB 1 63 TYR QE . . 4.350 3.696 2.176 4.328 . 0 0 "[ . 1 . 2]" 1
1099 1 57 ARG HB2 1 58 ASP H . . 4.290 3.418 2.557 4.288 . 0 0 "[ . 1 . 2]" 1
1100 1 57 ARG HB3 1 58 ASP H . . 4.290 3.323 2.207 4.157 . 0 0 "[ . 1 . 2]" 1
1101 1 57 ARG QD 1 63 TYR HA . . 5.090 4.663 4.041 5.069 . 0 0 "[ . 1 . 2]" 1
1102 1 57 ARG QD 1 63 TYR QD . . 3.770 3.074 2.583 3.758 . 0 0 "[ . 1 . 2]" 1
1103 1 57 ARG QD 1 63 TYR QE . . 3.690 3.048 1.993 3.670 . 0 0 "[ . 1 . 2]" 1
1104 1 57 ARG QG 1 58 ASP H . . 5.050 4.023 3.557 4.379 . 0 0 "[ . 1 . 2]" 1
1105 1 57 ARG QG 1 63 TYR QD . . 5.150 2.913 1.805 4.810 . 0 0 "[ . 1 . 2]" 1
1106 1 57 ARG QG 1 63 TYR QE . . 5.340 3.144 2.219 4.747 . 0 0 "[ . 1 . 2]" 1
1107 1 58 ASP H 1 62 LYS H . . 4.290 3.220 2.661 4.289 . 0 0 "[ . 1 . 2]" 1
1108 1 58 ASP H 1 63 TYR HA . . 4.470 4.129 3.570 4.450 . 0 0 "[ . 1 . 2]" 1
1109 1 58 ASP HA 1 60 ALA H . . 4.840 4.157 3.641 4.366 . 0 0 "[ . 1 . 2]" 1
1110 1 58 ASP HA 1 64 PHE QE . . 4.710 4.152 3.065 4.732 0.022 11 0 "[ . 1 . 2]" 1
1111 1 58 ASP QB 1 64 PHE QE . . 3.890 2.639 1.985 3.315 . 0 0 "[ . 1 . 2]" 1
1112 1 58 ASP HB2 1 60 ALA H . . 5.500 4.674 3.595 5.492 . 0 0 "[ . 1 . 2]" 1
1113 1 58 ASP HB3 1 60 ALA H . . 5.500 3.942 2.382 5.515 0.015 5 0 "[ . 1 . 2]" 1
1114 1 59 GLY H 1 60 ALA H . . 4.390 3.322 2.910 3.823 . 0 0 "[ . 1 . 2]" 1
1115 1 59 GLY H 1 60 ALA HA . . 5.240 5.086 4.798 5.240 . 0 0 "[ . 1 . 2]" 1
1116 1 59 GLY QA 1 61 GLY H . . 4.410 4.178 3.536 4.413 0.003 14 0 "[ . 1 . 2]" 1
1117 1 60 ALA H 1 60 ALA MB . . 3.000 2.726 2.475 3.000 . 5 0 "[ . 1 . 2]" 1
1118 1 60 ALA H 1 61 GLY H . . 3.020 2.086 1.796 2.505 . 0 0 "[ . 1 . 2]" 1
1119 1 60 ALA H 1 61 GLY HA2 . . 4.710 4.101 4.003 4.285 . 0 0 "[ . 1 . 2]" 1
1120 1 60 ALA H 1 61 GLY QA . . 4.100 3.832 3.748 3.985 . 0 0 "[ . 1 . 2]" 1
1121 1 60 ALA H 1 61 GLY HA3 . . 4.710 4.600 4.418 4.739 0.029 1 0 "[ . 1 . 2]" 1
1122 1 60 ALA H 1 62 LYS H . . 3.680 3.088 2.579 3.480 . 0 0 "[ . 1 . 2]" 1
1123 1 60 ALA MB 1 61 GLY H . . 3.460 2.498 2.065 3.434 . 0 0 "[ . 1 . 2]" 1
1124 1 60 ALA MB 1 62 LYS H . . 4.260 3.774 3.364 4.242 . 0 0 "[ . 1 . 2]" 1
1125 1 61 GLY H 1 62 LYS H . . 3.210 1.975 1.782 2.531 . 0 0 "[ . 1 . 2]" 1
1126 1 61 GLY H 1 62 LYS QB . . 5.260 3.776 3.490 4.258 . 0 0 "[ . 1 . 2]" 1
1127 1 62 LYS H 1 62 LYS HB2 . . 3.790 2.467 2.272 2.650 . 0 0 "[ . 1 . 2]" 1
1128 1 62 LYS H 1 62 LYS QB . . 3.250 2.422 2.247 2.593 . 0 0 "[ . 1 . 2]" 1
1129 1 62 LYS H 1 62 LYS HB3 . . 3.790 3.579 3.047 3.759 . 0 0 "[ . 1 . 2]" 1
1130 1 62 LYS H 1 62 LYS QG . . 4.350 3.173 2.197 4.130 . 0 0 "[ . 1 . 2]" 1
1131 1 62 LYS H 1 63 TYR H . . 4.650 4.454 4.238 4.555 . 0 0 "[ . 1 . 2]" 1
1132 1 62 LYS HA 1 62 LYS QD . . 3.530 3.214 2.696 3.517 . 0 0 "[ . 1 . 2]" 1
1133 1 62 LYS HA 1 62 LYS QG . . 3.640 2.308 2.048 2.810 . 0 0 "[ . 1 . 2]" 1
1134 1 62 LYS HA 1 63 TYR H . . 3.260 2.198 2.141 2.368 . 0 0 "[ . 1 . 2]" 1
1135 1 62 LYS HA 1 71 ASN HA . . 3.710 2.775 2.177 3.190 . 0 0 "[ . 1 . 2]" 1
1136 1 62 LYS QB 1 63 TYR H . . 3.540 3.116 2.477 3.498 . 0 0 "[ . 1 . 2]" 1
1137 1 62 LYS HB2 1 63 TYR H . . 4.390 4.189 3.692 4.401 0.011 9 0 "[ . 1 . 2]" 1
1138 1 62 LYS HB3 1 63 TYR H . . 4.390 3.219 2.516 3.683 . 0 0 "[ . 1 . 2]" 1
1139 1 62 LYS QD 1 63 TYR H . . 5.380 4.500 3.851 5.269 . 0 0 "[ . 1 . 2]" 1
1140 1 62 LYS QE 1 62 LYS QG . . 3.390 2.131 1.945 2.565 . 0 0 "[ . 1 . 2]" 1
1141 1 62 LYS QG 1 63 TYR H . . 4.970 3.915 2.631 4.597 . 0 0 "[ . 1 . 2]" 1
1142 1 63 TYR H 1 63 TYR HB2 . . 3.980 2.640 2.392 2.930 . 0 0 "[ . 1 . 2]" 1
1143 1 63 TYR H 1 63 TYR HB3 . . 3.980 3.709 3.616 3.833 . 0 0 "[ . 1 . 2]" 1
1144 1 63 TYR H 1 63 TYR QD . . 4.690 2.625 2.029 3.311 . 0 0 "[ . 1 . 2]" 1
1145 1 63 TYR H 1 64 PHE H . . 4.820 4.534 4.456 4.589 . 0 0 "[ . 1 . 2]" 1
1146 1 63 TYR H 1 70 PHE H . . 4.090 3.248 2.718 3.935 . 0 0 "[ . 1 . 2]" 1
1147 1 63 TYR H 1 71 ASN HA . . 4.580 3.675 3.022 4.063 . 0 0 "[ . 1 . 2]" 1
1148 1 63 TYR HA 1 63 TYR QD . . 3.770 2.845 2.398 3.254 . 0 0 "[ . 1 . 2]" 1
1149 1 63 TYR HA 1 63 TYR QE . . 4.970 4.715 4.389 4.992 0.022 1 0 "[ . 1 . 2]" 1
1150 1 63 TYR HA 1 64 PHE H . . 3.070 2.318 2.178 2.466 . 0 0 "[ . 1 . 2]" 1
1151 1 63 TYR HA 1 64 PHE HB3 . . 4.970 4.655 4.193 5.031 0.061 11 0 "[ . 1 . 2]" 1
1152 1 63 TYR HA 1 64 PHE HD1 . . 4.520 3.375 2.515 4.483 . 0 0 "[ . 1 . 2]" 1
1153 1 63 TYR HA 1 73 LEU QD . . 4.740 4.678 4.392 4.748 0.008 14 0 "[ . 1 . 2]" 1
1154 1 63 TYR QB 1 64 PHE H . . 3.650 2.625 2.394 3.024 . 0 0 "[ . 1 . 2]" 1
1155 1 63 TYR QB 1 73 LEU QD . . 4.020 2.750 2.451 3.160 . 0 0 "[ . 1 . 2]" 1
1156 1 63 TYR QB 1 76 LEU QD . . 3.020 1.982 1.734 2.480 . 0 0 "[ . 1 . 2]" 1
1157 1 63 TYR HB2 1 64 PHE H . . 4.220 3.661 3.129 3.969 . 0 0 "[ . 1 . 2]" 1
1158 1 63 TYR HB3 1 64 PHE H . . 4.220 2.693 2.485 3.140 . 0 0 "[ . 1 . 2]" 1
1159 1 63 TYR QD 1 73 LEU QD . . 3.640 2.818 2.607 3.068 . 0 0 "[ . 1 . 2]" 1
1160 1 63 TYR QD 1 73 LEU HG . . 5.250 3.621 3.314 3.989 . 0 0 "[ . 1 . 2]" 1
1161 1 63 TYR QD 1 76 LEU QD . . 4.690 3.218 2.438 3.939 . 0 0 "[ . 1 . 2]" 1
1162 1 63 TYR QE 1 72 SER HB2 . . 5.170 4.794 3.896 5.168 . 0 0 "[ . 1 . 2]" 1
1163 1 63 TYR QE 1 72 SER HB3 . . 5.170 4.709 4.130 5.155 . 0 0 "[ . 1 . 2]" 1
1164 1 63 TYR QE 1 73 LEU MD1 . . 4.190 3.619 3.306 4.093 . 0 0 "[ . 1 . 2]" 1
1165 1 63 TYR QE 1 73 LEU MD2 . . 4.190 3.306 2.747 3.713 . 0 0 "[ . 1 . 2]" 1
1166 1 63 TYR QE 1 73 LEU HG . . 3.480 3.017 2.385 3.481 0.001 17 0 "[ . 1 . 2]" 1
1167 1 64 PHE H 1 64 PHE HB2 . . 4.160 3.929 3.745 4.070 . 0 0 "[ . 1 . 2]" 1
1168 1 64 PHE H 1 64 PHE HD1 . . 3.830 2.626 2.320 3.172 . 0 0 "[ . 1 . 2]" 1
1169 1 64 PHE H 1 64 PHE QE . . 4.430 4.195 3.970 4.368 . 0 0 "[ . 1 . 2]" 1
1170 1 64 PHE H 1 76 LEU QD . . 5.050 3.439 3.046 4.069 . 0 0 "[ . 1 . 2]" 1
1171 1 64 PHE HA 1 64 PHE HD1 . . 4.240 3.924 3.733 4.173 . 0 0 "[ . 1 . 2]" 1
1172 1 64 PHE HA 1 76 LEU QD . . 3.630 2.865 2.175 3.561 . 0 0 "[ . 1 . 2]" 1
1173 1 64 PHE HB3 1 70 PHE H . . 5.150 3.638 3.071 4.149 . 0 0 "[ . 1 . 2]" 1
1174 1 65 LEU QB 1 66 TRP HD1 . . 3.880 2.765 1.985 3.488 . 0 0 "[ . 1 . 2]" 1
1175 1 65 LEU HB2 1 66 TRP HD1 . . 4.540 3.439 2.210 4.484 . 0 0 "[ . 1 . 2]" 1
1176 1 65 LEU HB3 1 66 TRP HD1 . . 4.540 3.057 1.995 4.545 0.005 18 0 "[ . 1 . 2]" 1
1177 1 66 TRP HE3 1 87 ARG QD . . 5.500 5.162 4.496 5.503 0.003 5 0 "[ . 1 . 2]" 1
1178 1 66 TRP HH2 1 87 ARG QD . . 4.060 3.347 2.002 4.060 . 0 0 "[ . 1 . 2]" 1
1179 1 66 TRP HZ2 1 87 ARG HG2 . . 4.910 4.465 3.890 4.921 0.011 14 0 "[ . 1 . 2]" 1
1180 1 66 TRP HZ2 1 87 ARG QG . . 4.310 3.651 3.063 4.301 . 0 0 "[ . 1 . 2]" 1
1181 1 66 TRP HZ2 1 87 ARG HG3 . . 4.910 3.906 3.167 4.910 . 0 0 "[ . 1 . 2]" 1
1182 1 66 TRP HZ3 1 87 ARG QD . . 4.660 4.291 3.506 4.665 0.005 4 0 "[ . 1 . 2]" 1
1183 1 67 VAL H 1 67 VAL HB . . 3.860 3.500 2.682 3.957 0.097 12 0 "[ . 1 . 2]" 1
1184 1 67 VAL H 1 67 VAL QG . . 4.180 2.211 1.865 3.024 . 0 0 "[ . 1 . 2]" 1
1185 1 67 VAL H 1 68 VAL H . . 4.640 2.252 1.788 3.356 . 0 0 "[ . 1 . 2]" 1
1186 1 67 VAL H 1 68 VAL HB . . 5.500 4.429 3.791 5.506 0.006 8 0 "[ . 1 . 2]" 1
1187 1 67 VAL HB 1 68 VAL H . . 4.480 3.826 2.094 4.503 0.023 11 0 "[ . 1 . 2]" 1
1188 1 67 VAL QG 1 68 VAL H . . 4.250 2.794 1.860 3.527 . 0 0 "[ . 1 . 2]" 1
1189 1 67 VAL MG1 1 68 VAL H . . 5.110 3.712 2.087 4.401 . 0 0 "[ . 1 . 2]" 1
1190 1 67 VAL MG2 1 68 VAL H . . 5.110 3.266 1.863 4.366 . 0 0 "[ . 1 . 2]" 1
1191 1 68 VAL H 1 68 VAL HB . . 3.900 2.866 2.285 3.382 . 0 0 "[ . 1 . 2]" 1
1192 1 68 VAL H 1 68 VAL QG . . 3.510 2.347 1.910 2.802 . 0 0 "[ . 1 . 2]" 1
1193 1 68 VAL H 1 69 LYS H . . 4.570 4.477 4.200 4.644 0.074 16 0 "[ . 1 . 2]" 1
1194 1 68 VAL HA 1 69 LYS H . . 2.850 2.270 2.183 2.490 . 0 0 "[ . 1 . 2]" 1
1195 1 68 VAL HB 1 79 TYR QE . . 4.630 3.750 2.854 4.556 . 0 0 "[ . 1 . 2]" 1
1196 1 68 VAL QG 1 69 LYS H . . 3.140 2.082 1.764 2.411 . 0 0 "[ . 1 . 2]" 1
1197 1 68 VAL QG 1 69 LYS HA . . 3.480 3.203 3.098 3.349 . 0 0 "[ . 1 . 2]" 1
1198 1 68 VAL QG 1 70 PHE QD . . 4.660 3.117 2.679 3.484 . 0 0 "[ . 1 . 2]" 1
1199 1 68 VAL QG 1 79 TYR QE . . 3.420 2.646 1.946 3.280 . 0 0 "[ . 1 . 2]" 1
1200 1 68 VAL MG1 1 69 LYS H . . 3.650 3.441 2.921 3.659 0.009 3 0 "[ . 1 . 2]" 1
1201 1 68 VAL MG1 1 69 LYS HA . . 4.100 3.479 3.264 3.670 . 0 0 "[ . 1 . 2]" 1
1202 1 68 VAL MG1 1 79 TYR QE . . 3.930 3.203 1.976 3.905 . 0 0 "[ . 1 . 2]" 1
1203 1 68 VAL MG2 1 69 LYS H . . 3.650 2.101 1.779 2.460 . 0 0 "[ . 1 . 2]" 1
1204 1 68 VAL MG2 1 69 LYS HA . . 4.100 3.777 3.410 4.040 . 0 0 "[ . 1 . 2]" 1
1205 1 68 VAL MG2 1 79 TYR QE . . 3.930 2.988 2.576 3.863 . 0 0 "[ . 1 . 2]" 1
1206 1 69 LYS H 1 69 LYS HB2 . . 4.190 3.686 2.841 3.976 . 0 0 "[ . 1 . 2]" 1
1207 1 69 LYS H 1 69 LYS QB . . 3.670 2.976 2.770 3.226 . 0 0 "[ . 1 . 2]" 1
1208 1 69 LYS H 1 69 LYS HB3 . . 4.190 3.295 3.018 3.902 . 0 0 "[ . 1 . 2]" 1
1209 1 69 LYS H 1 69 LYS HG2 . . 4.390 2.793 1.997 4.167 . 0 0 "[ . 1 . 2]" 1
1210 1 69 LYS H 1 69 LYS QG . . 3.630 2.478 1.984 2.942 . 0 0 "[ . 1 . 2]" 1
1211 1 69 LYS H 1 69 LYS HG3 . . 4.390 3.542 2.179 4.218 . 0 0 "[ . 1 . 2]" 1
1212 1 70 PHE H 1 71 ASN H . . 4.550 4.378 4.360 4.391 . 0 0 "[ . 1 . 2]" 1
1213 1 70 PHE H 1 71 ASN HA . . 4.830 4.760 4.674 4.839 0.009 5 0 "[ . 1 . 2]" 1
1214 1 70 PHE QB 1 71 ASN H . . 3.430 2.154 1.953 2.572 . 0 0 "[ . 1 . 2]" 1
1215 1 70 PHE QB 1 75 GLU QB . . 4.470 2.195 1.891 2.792 . 0 0 "[ . 1 . 2]" 1
1216 1 70 PHE QB 1 76 LEU QD . . 4.980 2.189 1.729 2.954 . 0 0 "[ . 1 . 2]" 1
1217 1 70 PHE HB2 1 71 ASN H . . 4.000 3.332 2.917 3.639 . 0 0 "[ . 1 . 2]" 1
1218 1 70 PHE HB2 1 72 SER H . . 4.060 3.829 3.112 4.065 0.005 12 0 "[ . 1 . 2]" 1
1219 1 70 PHE HB3 1 71 ASN H . . 4.000 2.192 1.967 2.666 . 0 0 "[ . 1 . 2]" 1
1220 1 70 PHE HB3 1 72 SER H . . 4.060 3.021 2.488 3.696 . 0 0 "[ . 1 . 2]" 1
1221 1 70 PHE QD 1 71 ASN H . . 5.460 3.580 2.545 4.391 . 0 0 "[ . 1 . 2]" 1
1222 1 70 PHE QD 1 76 LEU HA . . 4.700 2.950 2.056 4.182 . 0 0 "[ . 1 . 2]" 1
1223 1 70 PHE QD 1 76 LEU QD . . 3.270 2.284 1.860 2.672 . 0 0 "[ . 1 . 2]" 1
1224 1 70 PHE QE 1 76 LEU QD . . 4.250 3.525 2.300 4.210 . 0 0 "[ . 1 . 2]" 1
1225 1 71 ASN H 1 71 ASN HB2 . . 3.760 2.821 2.277 3.647 . 0 0 "[ . 1 . 2]" 1
1226 1 71 ASN H 1 71 ASN HB3 . . 3.760 3.381 2.406 3.671 . 0 0 "[ . 1 . 2]" 1
1227 1 71 ASN H 1 71 ASN HD21 . . 4.200 2.695 1.917 4.056 . 0 0 "[ . 1 . 2]" 1
1228 1 71 ASN H 1 71 ASN HD22 . . 4.200 3.693 2.972 4.138 . 0 0 "[ . 1 . 2]" 1
1229 1 71 ASN H 1 72 SER H . . 3.210 2.333 2.175 2.596 . 0 0 "[ . 1 . 2]" 1
1230 1 71 ASN H 1 75 GLU HB2 . . 4.550 3.849 3.214 4.258 . 0 0 "[ . 1 . 2]" 1
1231 1 71 ASN H 1 75 GLU QB . . 3.990 3.582 3.084 3.900 . 0 0 "[ . 1 . 2]" 1
1232 1 71 ASN H 1 75 GLU HB3 . . 4.550 4.301 3.923 4.560 0.010 4 0 "[ . 1 . 2]" 1
1233 1 71 ASN QB 1 72 SER H . . 3.460 2.754 2.226 3.328 . 0 0 "[ . 1 . 2]" 1
1234 1 71 ASN HB2 1 72 SER H . . 3.990 2.893 2.258 3.938 . 0 0 "[ . 1 . 2]" 1
1235 1 71 ASN HB3 1 72 SER H . . 3.990 3.687 3.137 4.001 0.011 12 0 "[ . 1 . 2]" 1
1236 1 71 ASN QD 1 72 SER H . . 4.390 3.600 2.360 4.326 . 0 0 "[ . 1 . 2]" 1
1237 1 72 SER H 1 72 SER HB2 . . 4.100 2.991 2.344 3.821 . 0 0 "[ . 1 . 2]" 1
1238 1 72 SER H 1 72 SER QB . . 3.580 2.602 2.303 3.068 . 0 0 "[ . 1 . 2]" 1
1239 1 72 SER H 1 72 SER HB3 . . 4.100 3.163 2.559 3.707 . 0 0 "[ . 1 . 2]" 1
1240 1 72 SER H 1 75 GLU QB . . 3.670 3.043 2.727 3.598 . 0 0 "[ . 1 . 2]" 1
1241 1 72 SER H 1 75 GLU QG . . 4.290 3.483 2.159 4.145 . 0 0 "[ . 1 . 2]" 1
1242 1 73 LEU HA 1 73 LEU MD1 . . 4.000 3.831 3.737 3.932 . 0 0 "[ . 1 . 2]" 1
1243 1 73 LEU HA 1 73 LEU QD . . 3.510 2.087 1.893 2.578 . 0 0 "[ . 1 . 2]" 1
1244 1 73 LEU HA 1 73 LEU MD2 . . 4.000 2.097 1.898 2.614 . 0 0 "[ . 1 . 2]" 1
1245 1 73 LEU HA 1 73 LEU HG . . 3.950 2.935 2.746 3.150 . 0 0 "[ . 1 . 2]" 1
1246 1 73 LEU HA 1 75 GLU H . . 4.460 4.082 3.754 4.413 . 0 0 "[ . 1 . 2]" 1
1247 1 73 LEU HA 1 76 LEU H . . 4.280 3.306 3.162 3.494 . 0 0 "[ . 1 . 2]" 1
1248 1 73 LEU HA 1 76 LEU HA . . 5.500 5.400 5.024 5.563 0.063 14 0 "[ . 1 . 2]" 1
1249 1 73 LEU HA 1 76 LEU QB . . 4.760 2.845 2.279 3.913 . 0 0 "[ . 1 . 2]" 1
1250 1 73 LEU HA 1 76 LEU QD . . 4.570 2.564 1.837 3.740 . 0 0 "[ . 1 . 2]" 1
1251 1 73 LEU QD 1 74 ASN H . . 4.990 4.095 3.837 4.274 . 0 0 "[ . 1 . 2]" 1
1252 1 73 LEU QD 1 76 LEU QB . . 4.110 3.187 2.759 4.020 . 0 0 "[ . 1 . 2]" 1
1253 1 73 LEU QD 1 76 LEU QD . . 3.320 2.536 1.699 3.102 . 0 0 "[ . 1 . 2]" 1
1254 1 74 ASN H 1 74 ASN HB2 . . 3.910 3.076 2.496 3.614 . 0 0 "[ . 1 . 2]" 1
1255 1 74 ASN H 1 74 ASN QB . . 3.430 2.299 2.053 2.713 . 0 0 "[ . 1 . 2]" 1
1256 1 74 ASN H 1 74 ASN HB3 . . 3.910 2.488 2.073 3.586 . 0 0 "[ . 1 . 2]" 1
1257 1 74 ASN H 1 75 GLU H . . 3.980 2.832 2.630 3.009 . 0 0 "[ . 1 . 2]" 1
1258 1 74 ASN HA 1 74 ASN QD . . 4.400 3.635 2.554 4.186 . 0 0 "[ . 1 . 2]" 1
1259 1 74 ASN HA 1 74 ASN HD22 . . 5.140 4.693 4.048 5.056 . 0 0 "[ . 1 . 2]" 1
1260 1 74 ASN HA 1 77 VAL HB . . 4.870 3.640 2.518 4.896 0.026 12 0 "[ . 1 . 2]" 1
1261 1 74 ASN HA 1 77 VAL MG1 . . 4.270 3.802 3.283 4.235 . 0 0 "[ . 1 . 2]" 1
1262 1 74 ASN HA 1 77 VAL QG . . 3.720 2.489 1.825 3.280 . 0 0 "[ . 1 . 2]" 1
1263 1 74 ASN HA 1 77 VAL MG2 . . 4.270 2.541 1.831 3.442 . 0 0 "[ . 1 . 2]" 1
1264 1 74 ASN HA 1 78 ASP H . . 4.280 4.153 3.981 4.285 0.005 5 0 "[ . 1 . 2]" 1
1265 1 74 ASN QB 1 75 GLU H . . 3.570 2.986 2.412 3.596 0.026 15 0 "[ . 1 . 2]" 1
1266 1 74 ASN QB 1 75 GLU HA . . 5.340 4.347 3.831 4.686 . 0 0 "[ . 1 . 2]" 1
1267 1 74 ASN HB2 1 75 GLU H . . 4.160 3.825 2.543 4.194 0.034 20 0 "[ . 1 . 2]" 1
1268 1 74 ASN HB3 1 75 GLU H . . 4.160 3.311 2.437 4.139 . 0 0 "[ . 1 . 2]" 1
1269 1 74 ASN QD 1 75 GLU H . . 4.520 3.321 1.892 4.323 . 0 0 "[ . 1 . 2]" 1
1270 1 75 GLU H 1 75 GLU QB . . 3.440 2.200 2.050 2.557 . 0 0 "[ . 1 . 2]" 1
1271 1 75 GLU H 1 75 GLU QG . . 3.800 3.032 2.074 3.722 . 0 0 "[ . 1 . 2]" 1
1272 1 75 GLU H 1 76 LEU H . . 3.770 2.651 2.479 2.812 . 0 0 "[ . 1 . 2]" 1
1273 1 75 GLU HA 1 75 GLU QG . . 3.610 2.412 2.051 2.786 . 0 0 "[ . 1 . 2]" 1
1274 1 75 GLU HA 1 78 ASP H . . 4.240 3.775 3.532 4.008 . 0 0 "[ . 1 . 2]" 1
1275 1 75 GLU HA 1 78 ASP QB . . 3.800 3.032 2.588 3.379 . 0 0 "[ . 1 . 2]" 1
1276 1 76 LEU HA 1 76 LEU QD . . 3.700 2.909 2.666 3.433 . 0 0 "[ . 1 . 2]" 1
1277 1 76 LEU HA 1 76 LEU HG . . 4.120 2.334 2.142 3.571 . 0 0 "[ . 1 . 2]" 1
1278 1 76 LEU QD 1 77 VAL QG . . 4.850 3.837 2.116 4.338 . 0 0 "[ . 1 . 2]" 1
1279 1 77 VAL HA 1 77 VAL MG1 . . 3.380 2.430 2.224 2.576 . 0 0 "[ . 1 . 2]" 1
1280 1 77 VAL HA 1 77 VAL MG2 . . 3.380 2.672 2.102 3.203 . 0 0 "[ . 1 . 2]" 1
1281 1 77 VAL HB 1 78 ASP H . . 3.880 3.103 2.252 3.918 0.038 12 0 "[ . 1 . 2]" 1
1282 1 77 VAL HB 1 78 ASP HA . . 4.730 4.422 4.234 4.548 . 0 0 "[ . 1 . 2]" 1
1283 1 77 VAL MG1 1 78 ASP H . . 4.090 3.489 2.566 4.031 . 0 0 "[ . 1 . 2]" 1
1284 1 77 VAL MG2 1 78 ASP H . . 4.090 3.054 1.853 4.016 . 0 0 "[ . 1 . 2]" 1
1285 1 78 ASP H 1 78 ASP QB . . 3.290 2.182 2.059 2.644 . 0 0 "[ . 1 . 2]" 1
1286 1 78 ASP H 1 79 TYR H . . 3.460 2.795 2.593 2.954 . 0 0 "[ . 1 . 2]" 1
1287 1 78 ASP HA 1 81 ARG HD2 . . 4.550 3.798 2.861 4.547 . 0 0 "[ . 1 . 2]" 1
1288 1 78 ASP HA 1 81 ARG HD3 . . 4.550 3.434 2.652 4.558 0.008 20 0 "[ . 1 . 2]" 1
1289 1 78 ASP HA 1 81 ARG QG . . 4.100 3.580 1.990 4.103 0.003 4 0 "[ . 1 . 2]" 1
1290 1 78 ASP QB 1 79 TYR H . . 3.700 2.227 1.984 2.489 . 0 0 "[ . 1 . 2]" 1
1291 1 79 TYR H 1 79 TYR HB2 . . 3.960 2.583 2.375 2.849 . 0 0 "[ . 1 . 2]" 1
1292 1 79 TYR H 1 79 TYR QB . . 3.340 2.248 2.184 2.284 . 0 0 "[ . 1 . 2]" 1
1293 1 79 TYR H 1 79 TYR HB3 . . 3.960 2.513 2.268 2.703 . 0 0 "[ . 1 . 2]" 1
1294 1 79 TYR H 1 81 ARG H . . 4.440 4.059 3.893 4.324 . 0 0 "[ . 1 . 2]" 1
1295 1 79 TYR HA 1 79 TYR HD1 . . 4.090 3.456 2.288 4.062 . 0 0 "[ . 1 . 2]" 1
1296 1 79 TYR HA 1 79 TYR QE . . 5.120 4.769 4.598 4.919 . 0 0 "[ . 1 . 2]" 1
1297 1 79 TYR QB 1 81 ARG H . . 5.030 4.590 4.266 4.987 . 0 0 "[ . 1 . 2]" 1
1298 1 79 TYR QE 1 80 HIS HA . . 5.180 4.314 3.623 4.970 . 0 0 "[ . 1 . 2]" 1
1299 1 79 TYR QE 1 83 THR HB . . 3.420 3.190 2.695 3.422 0.002 18 0 "[ . 1 . 2]" 1
1300 1 79 TYR QE 1 83 THR MG . . 3.030 2.670 1.966 3.032 0.002 9 0 "[ . 1 . 2]" 1
1301 1 80 HIS HA 1 82 SER H . . 4.510 3.895 3.593 4.224 . 0 0 "[ . 1 . 2]" 1
1302 1 80 HIS HA 1 83 THR H . . 4.430 3.097 2.747 3.430 . 0 0 "[ . 1 . 2]" 1
1303 1 80 HIS HA 1 83 THR HB . . 4.200 3.427 2.514 4.212 0.012 18 0 "[ . 1 . 2]" 1
1304 1 80 HIS HA 1 83 THR MG . . 4.270 3.319 1.834 4.271 0.001 19 0 "[ . 1 . 2]" 1
1305 1 80 HIS HA 1 93 LEU MD1 . . 5.450 4.147 3.729 4.943 . 0 0 "[ . 1 . 2]" 1
1306 1 80 HIS HA 1 93 LEU QD . . 4.480 3.935 3.667 4.273 . 0 0 "[ . 1 . 2]" 1
1307 1 80 HIS HA 1 93 LEU MD2 . . 5.450 5.098 4.320 5.455 0.005 15 0 "[ . 1 . 2]" 1
1308 1 80 HIS QB 1 93 LEU QD . . 3.510 1.801 1.648 2.136 . 0 0 "[ . 1 . 2]" 1
1309 1 80 HIS HB2 1 93 LEU HG . . 5.500 4.151 2.278 5.446 . 0 0 "[ . 1 . 2]" 1
1310 1 80 HIS HB3 1 93 LEU HG . . 5.500 3.149 1.999 5.072 . 0 0 "[ . 1 . 2]" 1
1311 1 81 ARG H 1 81 ARG QB . . 3.920 2.226 2.040 2.444 . 0 0 "[ . 1 . 2]" 1
1312 1 81 ARG H 1 81 ARG QD . . 5.340 4.197 3.814 4.579 . 0 0 "[ . 1 . 2]" 1
1313 1 81 ARG H 1 81 ARG QG . . 4.190 3.574 2.295 4.034 . 0 0 "[ . 1 . 2]" 1
1314 1 81 ARG H 1 82 SER H . . 3.720 2.551 2.372 2.793 . 0 0 "[ . 1 . 2]" 1
1315 1 81 ARG HA 1 92 PHE HB3 . . 3.790 3.083 2.224 3.707 . 0 0 "[ . 1 . 2]" 1
1316 1 81 ARG HA 1 93 LEU H . . 3.870 2.114 1.903 2.470 . 0 0 "[ . 1 . 2]" 1
1317 1 81 ARG QB 1 82 SER H . . 4.090 3.101 2.790 3.667 . 0 0 "[ . 1 . 2]" 1
1318 1 81 ARG QB 1 93 LEU H . . 4.600 3.865 2.892 4.589 . 0 0 "[ . 1 . 2]" 1
1319 1 81 ARG QB 1 93 LEU QD . . 3.740 3.213 2.422 3.710 . 0 0 "[ . 1 . 2]" 1
1320 1 81 ARG QG 1 82 SER H . . 4.540 3.590 2.215 4.500 . 0 0 "[ . 1 . 2]" 1
1321 1 82 SER H 1 82 SER QB . . 3.710 2.456 2.142 2.974 . 0 0 "[ . 1 . 2]" 1
1322 1 82 SER H 1 83 THR H . . 3.390 2.120 1.917 2.298 . 0 0 "[ . 1 . 2]" 1
1323 1 83 THR H 1 83 THR MG . . 4.040 3.336 2.358 3.876 . 0 0 "[ . 1 . 2]" 1
1324 1 83 THR HA 1 83 THR MG . . 3.290 2.664 2.196 3.192 . 0 0 "[ . 1 . 2]" 1
1325 1 83 THR HA 1 92 PHE HD1 . . 4.530 4.209 3.788 4.515 . 0 0 "[ . 1 . 2]" 1
1326 1 83 THR HA 1 92 PHE QE . . 3.530 3.120 2.026 3.491 . 0 0 "[ . 1 . 2]" 1
1327 1 83 THR MG 1 84 SER HA . . 4.390 4.115 3.846 4.429 0.039 8 0 "[ . 1 . 2]" 1
1328 1 83 THR MG 1 92 PHE HD1 . . 5.310 4.933 4.419 5.221 . 0 0 "[ . 1 . 2]" 1
1329 1 84 SER HA 1 92 PHE HA . . 4.220 3.747 2.775 4.210 . 0 0 "[ . 1 . 2]" 1
1330 1 84 SER HA 1 92 PHE HD1 . . 3.740 2.723 2.029 3.332 . 0 0 "[ . 1 . 2]" 1
1331 1 84 SER HA 1 92 PHE QE . . 4.000 2.887 2.155 3.863 . 0 0 "[ . 1 . 2]" 1
1332 1 84 SER QB 1 92 PHE HD1 . . 4.990 4.317 3.557 4.935 . 0 0 "[ . 1 . 2]" 1
1333 1 85 VAL H 1 85 VAL QG . . 4.090 2.288 1.912 2.955 . 0 0 "[ . 1 . 2]" 1
1334 1 85 VAL QG 1 86 SER H . . 4.390 2.382 1.781 3.312 . 0 0 "[ . 1 . 2]" 1
1335 1 86 SER QB 1 91 ILE MD . . 3.850 3.243 2.293 3.804 . 0 0 "[ . 1 . 2]" 1
1336 1 86 SER HB2 1 89 GLN H . . 4.240 3.773 2.411 4.246 0.006 20 0 "[ . 1 . 2]" 1
1337 1 86 SER HB2 1 91 ILE MD . . 4.440 3.656 2.345 4.394 . 0 0 "[ . 1 . 2]" 1
1338 1 86 SER HB3 1 89 GLN H . . 4.240 2.860 2.059 4.186 . 0 0 "[ . 1 . 2]" 1
1339 1 86 SER HB3 1 91 ILE MD . . 4.440 3.745 2.484 4.365 . 0 0 "[ . 1 . 2]" 1
1340 1 87 ARG H 1 88 ASN H . . 4.450 2.753 2.340 3.008 . 0 0 "[ . 1 . 2]" 1
1341 1 87 ARG HA 1 87 ARG QD . . 3.840 3.668 2.964 3.880 0.040 17 0 "[ . 1 . 2]" 1
1342 1 87 ARG HA 1 87 ARG HG2 . . 3.830 2.655 2.449 3.254 . 0 0 "[ . 1 . 2]" 1
1343 1 87 ARG HA 1 87 ARG QG . . 3.360 2.554 2.276 2.733 . 0 0 "[ . 1 . 2]" 1
1344 1 87 ARG HA 1 87 ARG HG3 . . 3.830 3.599 2.323 3.879 0.049 12 0 "[ . 1 . 2]" 1
1345 1 87 ARG QB 1 87 ARG QD . . 3.250 2.131 1.923 2.463 . 0 0 "[ . 1 . 2]" 1
1346 1 87 ARG HB2 1 87 ARG QD . . 3.730 2.989 2.521 3.409 . 0 0 "[ . 1 . 2]" 1
1347 1 87 ARG HB3 1 87 ARG QD . . 3.730 2.226 1.956 3.455 . 0 0 "[ . 1 . 2]" 1
1348 1 88 ASN H 1 88 ASN HB2 . . 4.190 2.624 2.187 2.957 . 0 0 "[ . 1 . 2]" 1
1349 1 88 ASN H 1 88 ASN QB . . 3.680 2.482 2.156 2.613 . 0 0 "[ . 1 . 2]" 1
1350 1 88 ASN H 1 88 ASN HB3 . . 4.190 3.224 2.869 3.781 . 0 0 "[ . 1 . 2]" 1
1351 1 88 ASN H 1 89 GLN H . . 3.170 2.129 1.956 2.453 . 0 0 "[ . 1 . 2]" 1
1352 1 88 ASN H 1 89 GLN HA . . 5.140 4.596 4.491 4.915 . 0 0 "[ . 1 . 2]" 1
1353 1 88 ASN HA 1 88 ASN HD21 . . 2.830 2.462 2.119 2.745 . 0 0 "[ . 1 . 2]" 1
1354 1 88 ASN HA 1 88 ASN HD22 . . 3.610 3.476 3.344 3.608 . 0 0 "[ . 1 . 2]" 1
1355 1 88 ASN QB 1 89 GLN H . . 3.580 2.461 2.217 2.659 . 0 0 "[ . 1 . 2]" 1
1356 1 88 ASN HB2 1 89 GLN H . . 4.090 3.149 2.467 3.655 . 0 0 "[ . 1 . 2]" 1
1357 1 88 ASN HB3 1 89 GLN H . . 4.090 2.674 2.244 3.419 . 0 0 "[ . 1 . 2]" 1
1358 1 89 GLN H 1 89 GLN HB2 . . 3.920 2.567 2.478 2.709 . 0 0 "[ . 1 . 2]" 1
1359 1 89 GLN H 1 89 GLN QB . . 3.430 2.494 2.431 2.608 . 0 0 "[ . 1 . 2]" 1
1360 1 89 GLN H 1 89 GLN HB3 . . 3.920 3.439 3.132 3.722 . 0 0 "[ . 1 . 2]" 1
1361 1 89 GLN H 1 89 GLN QG . . 4.760 3.810 3.209 4.286 . 0 0 "[ . 1 . 2]" 1
1362 1 89 GLN H 1 91 ILE MD . . 4.510 4.123 3.733 4.431 . 0 0 "[ . 1 . 2]" 1
1363 1 89 GLN HA 1 89 GLN HG2 . . 3.500 2.671 2.023 3.542 0.042 7 0 "[ . 1 . 2]" 1
1364 1 89 GLN HA 1 89 GLN HG3 . . 3.500 2.635 2.057 3.484 . 0 0 "[ . 1 . 2]" 1
1365 1 89 GLN HA 1 90 GLN H . . 3.370 2.647 2.477 2.774 . 0 0 "[ . 1 . 2]" 1
1366 1 89 GLN QB 1 90 GLN H . . 3.960 2.139 1.929 2.652 . 0 0 "[ . 1 . 2]" 1
1367 1 89 GLN QB 1 91 ILE MD . . 3.510 2.514 2.008 2.876 . 0 0 "[ . 1 . 2]" 1
1368 1 89 GLN HB2 1 90 GLN H . . 4.520 3.590 3.394 3.924 . 0 0 "[ . 1 . 2]" 1
1369 1 89 GLN HB2 1 91 ILE MD . . 4.060 2.922 2.379 3.465 . 0 0 "[ . 1 . 2]" 1
1370 1 89 GLN HB3 1 90 GLN H . . 4.520 2.157 1.939 2.697 . 0 0 "[ . 1 . 2]" 1
1371 1 89 GLN HB3 1 91 ILE MD . . 4.060 2.873 2.164 3.413 . 0 0 "[ . 1 . 2]" 1
1372 1 89 GLN QG 1 91 ILE MD . . 4.790 3.995 3.454 4.556 . 0 0 "[ . 1 . 2]" 1
1373 1 90 GLN H 1 90 GLN QG . . 3.630 2.714 1.876 3.583 . 0 0 "[ . 1 . 2]" 1
1374 1 90 GLN HA 1 90 GLN QG . . 3.470 2.683 2.148 3.339 . 0 0 "[ . 1 . 2]" 1
1375 1 90 GLN HA 1 91 ILE H . . 3.420 2.312 2.189 2.647 . 0 0 "[ . 1 . 2]" 1
1376 1 91 ILE H 1 91 ILE MD . . 4.770 3.741 2.808 4.114 . 0 0 "[ . 1 . 2]" 1
1377 1 91 ILE H 1 91 ILE MG . . 4.700 3.877 3.764 3.949 . 0 0 "[ . 1 . 2]" 1
1378 1 91 ILE HA 1 91 ILE MG . . 3.410 2.336 2.207 2.426 . 0 0 "[ . 1 . 2]" 1
1379 1 91 ILE HA 1 92 PHE H . . 3.340 2.316 2.246 2.404 . 0 0 "[ . 1 . 2]" 1
1380 1 91 ILE HA 1 92 PHE HB2 . . 4.630 4.565 4.478 4.607 . 0 0 "[ . 1 . 2]" 1
1381 1 91 ILE HA 1 92 PHE HD1 . . 5.170 4.896 4.632 5.120 . 0 0 "[ . 1 . 2]" 1
1382 1 91 ILE HA 1 92 PHE QE . . 5.260 5.186 5.073 5.261 0.001 12 0 "[ . 1 . 2]" 1
1383 1 91 ILE HB 1 91 ILE MD . . 3.610 2.271 2.082 2.390 . 0 0 "[ . 1 . 2]" 1
1384 1 91 ILE MD 1 91 ILE MG . . 3.160 2.191 1.985 2.662 . 0 0 "[ . 1 . 2]" 1
1385 1 91 ILE QG 1 91 ILE MG . . 3.240 2.221 2.096 2.315 . 0 0 "[ . 1 . 2]" 1
1386 1 91 ILE MG 1 92 PHE H . . 4.050 1.943 1.812 2.085 . 0 0 "[ . 1 . 2]" 1
1387 1 91 ILE MG 1 92 PHE HD1 . . 5.100 4.976 4.813 5.094 . 0 0 "[ . 1 . 2]" 1
1388 1 91 ILE MG 1 94 ARG H . . 4.570 4.524 4.386 4.606 0.036 14 0 "[ . 1 . 2]" 1
1389 1 91 ILE MG 1 94 ARG QB . . 5.340 5.016 4.285 5.231 . 0 0 "[ . 1 . 2]" 1
1390 1 92 PHE HA 1 92 PHE HD1 . . 3.530 2.033 1.997 2.132 . 0 0 "[ . 1 . 2]" 1
1391 1 92 PHE HA 1 92 PHE QE . . 4.430 4.324 4.295 4.364 . 0 0 "[ . 1 . 2]" 1
1392 1 92 PHE HB2 1 93 LEU H . . 4.090 3.597 3.221 3.967 . 0 0 "[ . 1 . 2]" 1
1393 1 92 PHE HB3 1 92 PHE HD1 . . 3.630 2.958 2.866 3.024 . 0 0 "[ . 1 . 2]" 1
1394 1 92 PHE HB3 1 93 LEU H . . 4.250 2.429 2.001 2.875 . 0 0 "[ . 1 . 2]" 1
1395 1 92 PHE HB3 1 94 ARG H . . 5.500 5.491 5.423 5.519 0.019 14 0 "[ . 1 . 2]" 1
1396 1 93 LEU H 1 93 LEU MD1 . . 4.470 3.700 3.454 3.969 . 0 0 "[ . 1 . 2]" 1
1397 1 93 LEU H 1 93 LEU QD . . 3.640 3.041 2.689 3.588 . 0 0 "[ . 1 . 2]" 1
1398 1 93 LEU H 1 93 LEU MD2 . . 4.470 3.379 2.739 4.382 . 0 0 "[ . 1 . 2]" 1
1399 1 93 LEU H 1 93 LEU HG . . 4.640 2.816 1.919 4.560 . 0 0 "[ . 1 . 2]" 1
1400 1 93 LEU H 1 94 ARG H . . 4.570 4.359 4.316 4.392 . 0 0 "[ . 1 . 2]" 1
1401 1 93 LEU HA 1 93 LEU MD1 . . 4.210 3.495 2.120 3.939 . 0 0 "[ . 1 . 2]" 1
1402 1 93 LEU HA 1 93 LEU QD . . 3.590 2.128 1.966 2.671 . 0 0 "[ . 1 . 2]" 1
1403 1 93 LEU HA 1 93 LEU MD2 . . 4.210 2.462 1.972 3.830 . 0 0 "[ . 1 . 2]" 1
1404 1 93 LEU QB 1 93 LEU QD . . 2.600 1.934 1.798 1.985 . 0 0 "[ . 1 . 2]" 1
1405 1 94 ARG H 1 94 ARG HB2 . . 4.080 2.383 2.115 3.067 . 0 0 "[ . 1 . 2]" 1
1406 1 94 ARG H 1 94 ARG HB3 . . 4.080 3.505 2.254 3.654 . 0 0 "[ . 1 . 2]" 1
1407 1 94 ARG H 1 94 ARG QD . . 4.450 4.031 2.897 4.449 . 0 0 "[ . 1 . 2]" 1
1408 1 94 ARG H 1 94 ARG HG2 . . 4.500 2.831 2.429 4.529 0.029 20 0 "[ . 1 . 2]" 1
1409 1 94 ARG H 1 94 ARG QG . . 3.920 2.728 2.395 3.852 . 0 0 "[ . 1 . 2]" 1
1410 1 94 ARG H 1 94 ARG HG3 . . 4.500 3.798 3.510 4.491 . 0 0 "[ . 1 . 2]" 1
1411 1 94 ARG H 1 95 ASP H . . 4.650 4.547 4.366 4.586 . 0 0 "[ . 1 . 2]" 1
1412 1 94 ARG HA 1 94 ARG QD . . 3.730 2.219 1.944 2.729 . 0 0 "[ . 1 . 2]" 1
1413 1 94 ARG HA 1 94 ARG HG2 . . 4.090 2.890 2.601 3.940 . 0 0 "[ . 1 . 2]" 1
1414 1 94 ARG HA 1 94 ARG HG3 . . 4.090 3.657 2.696 3.793 . 0 0 "[ . 1 . 2]" 1
1415 1 94 ARG HA 1 95 ASP H . . 2.830 2.182 2.142 2.230 . 0 0 "[ . 1 . 2]" 1
1416 1 94 ARG HA 1 95 ASP QB . . 4.700 4.281 4.042 4.682 . 0 0 "[ . 1 . 2]" 1
1417 1 94 ARG QB 1 95 ASP H . . 3.880 3.086 2.870 3.846 . 0 0 "[ . 1 . 2]" 1
1418 1 94 ARG HB2 1 94 ARG QD . . 3.550 3.205 2.366 3.489 . 0 0 "[ . 1 . 2]" 1
1419 1 94 ARG HB2 1 94 ARG HE . . 4.780 4.463 3.532 4.663 . 0 0 "[ . 1 . 2]" 1
1420 1 94 ARG HB2 1 95 ASP H . . 4.540 4.183 4.029 4.429 . 0 0 "[ . 1 . 2]" 1
1421 1 94 ARG HB3 1 94 ARG QD . . 3.550 2.378 2.043 3.289 . 0 0 "[ . 1 . 2]" 1
1422 1 94 ARG HB3 1 94 ARG HE . . 4.780 4.159 2.108 4.648 . 0 0 "[ . 1 . 2]" 1
1423 1 94 ARG HB3 1 95 ASP H . . 4.540 3.198 2.930 4.488 . 0 0 "[ . 1 . 2]" 1
1424 1 94 ARG QD 1 95 ASP H . . 4.010 3.304 2.772 3.857 . 0 0 "[ . 1 . 2]" 1
1425 1 94 ARG QG 1 95 ASP H . . 4.730 4.344 3.452 4.650 . 0 0 "[ . 1 . 2]" 1
1426 1 94 ARG HG2 1 95 ASP H . . 5.500 4.809 4.569 5.070 . 0 0 "[ . 1 . 2]" 1
1427 1 94 ARG HG3 1 95 ASP H . . 5.500 5.074 3.524 5.405 . 0 0 "[ . 1 . 2]" 1
1428 1 95 ASP H 1 95 ASP HB2 . . 3.480 2.693 2.075 3.493 0.013 9 0 "[ . 1 . 2]" 1
1429 1 95 ASP H 1 95 ASP QB . . 2.970 2.392 2.050 2.869 . 0 0 "[ . 1 . 2]" 1
1430 1 95 ASP H 1 95 ASP HB3 . . 3.480 2.931 2.239 3.492 0.012 20 0 "[ . 1 . 2]" 1
1431 1 95 ASP H 1 96 ILE H . . 4.580 4.403 4.331 4.530 . 0 0 "[ . 1 . 2]" 1
1432 1 96 ILE H 1 96 ILE HB . . 3.860 2.348 2.264 2.603 . 0 0 "[ . 1 . 2]" 1
1433 1 96 ILE H 1 96 ILE MD . . 4.510 4.398 4.326 4.450 . 0 0 "[ . 1 . 2]" 1
1434 1 96 ILE H 1 96 ILE HG12 . . 4.700 4.497 4.413 4.551 . 0 0 "[ . 1 . 2]" 1
1435 1 96 ILE H 1 96 ILE HG13 . . 4.700 4.291 4.162 4.720 0.020 18 0 "[ . 1 . 2]" 1
1436 1 96 ILE HA 1 96 ILE MD . . 4.330 3.738 3.159 3.798 . 0 0 "[ . 1 . 2]" 1
1437 1 96 ILE HA 1 96 ILE QG . . 3.690 2.263 2.068 2.314 . 0 0 "[ . 1 . 2]" 1
1438 1 96 ILE HA 1 96 ILE MG . . 3.530 3.172 3.164 3.185 . 0 0 "[ . 1 . 2]" 1
1439 1 96 ILE HA 1 97 GLU H . . 2.880 2.252 2.162 2.298 . 0 0 "[ . 1 . 2]" 1
1440 1 96 ILE HA 1 97 GLU QB . . 4.510 4.185 3.961 4.419 . 0 0 "[ . 1 . 2]" 1
1441 1 96 ILE HB 1 96 ILE MD . . 3.570 2.553 2.369 3.143 . 0 0 "[ . 1 . 2]" 1
1442 1 96 ILE HB 1 97 GLU H . . 4.350 4.135 4.032 4.336 . 0 0 "[ . 1 . 2]" 1
1443 1 96 ILE MD 1 97 GLU H . . 4.130 3.718 2.107 4.074 . 0 0 "[ . 1 . 2]" 1
1444 1 96 ILE MD 1 98 GLN HA . . 4.310 3.923 3.525 4.304 . 0 0 "[ . 1 . 2]" 1
1445 1 96 ILE QG 1 96 ILE MG . . 3.290 2.399 2.288 2.549 . 0 0 "[ . 1 . 2]" 1
1446 1 96 ILE QG 1 97 GLU H . . 3.590 2.097 1.912 2.458 . 0 0 "[ . 1 . 2]" 1
1447 1 96 ILE HG12 1 97 GLU H . . 4.100 2.127 1.930 2.493 . 0 0 "[ . 1 . 2]" 1
1448 1 96 ILE HG13 1 97 GLU H . . 4.100 3.238 2.853 3.932 . 0 0 "[ . 1 . 2]" 1
1449 1 96 ILE MG 1 97 GLU H . . 3.590 3.359 3.220 3.573 . 0 0 "[ . 1 . 2]" 1
1450 1 96 ILE MG 1 97 GLU HA . . 4.390 3.894 3.697 4.073 . 0 0 "[ . 1 . 2]" 1
1451 1 96 ILE MG 1 98 GLN H . . 4.400 3.179 2.657 3.840 . 0 0 "[ . 1 . 2]" 1
1452 1 96 ILE MG 1 98 GLN HA . . 3.840 3.326 2.891 3.729 . 0 0 "[ . 1 . 2]" 1
1453 1 97 GLU H 1 97 GLU HB2 . . 3.810 2.365 2.139 2.984 . 0 0 "[ . 1 . 2]" 1
1454 1 97 GLU H 1 97 GLU QB . . 3.090 2.228 2.119 2.418 . 0 0 "[ . 1 . 2]" 1
1455 1 97 GLU H 1 97 GLU HB3 . . 3.810 3.283 2.229 3.651 . 0 0 "[ . 1 . 2]" 1
1456 1 97 GLU H 1 97 GLU HG2 . . 4.270 3.832 3.461 4.279 0.009 18 0 "[ . 1 . 2]" 1
1457 1 97 GLU H 1 97 GLU HG3 . . 4.270 3.612 2.713 4.422 0.152 1 0 "[ . 1 . 2]" 1
1458 1 97 GLU HA 1 97 GLU HG2 . . 3.610 2.480 2.018 3.698 0.088 17 0 "[ . 1 . 2]" 1
1459 1 97 GLU HA 1 97 GLU QG . . 3.090 2.230 1.999 2.659 . 0 0 "[ . 1 . 2]" 1
1460 1 97 GLU HA 1 97 GLU HG3 . . 3.610 3.149 2.351 3.494 . 0 0 "[ . 1 . 2]" 1
1461 1 97 GLU HA 1 98 GLN H . . 2.600 2.249 2.159 2.355 . 0 0 "[ . 1 . 2]" 1
1462 1 97 GLU HA 1 98 GLN QB . . 4.260 4.120 4.021 4.236 . 0 0 "[ . 1 . 2]" 1
1463 1 98 GLN H 1 98 GLN HB2 . . 3.170 2.220 2.071 2.562 . 0 0 "[ . 1 . 2]" 1
1464 1 98 GLN H 1 98 GLN QB . . 2.720 2.143 2.045 2.372 . 0 0 "[ . 1 . 2]" 1
1465 1 98 GLN H 1 98 GLN HB3 . . 3.170 2.951 2.623 3.176 0.006 4 0 "[ . 1 . 2]" 1
1466 1 98 GLN H 1 98 GLN HG2 . . 4.620 4.303 3.891 4.630 0.010 5 0 "[ . 1 . 2]" 1
1467 1 98 GLN H 1 98 GLN QG . . 4.050 3.806 3.527 4.066 0.016 3 0 "[ . 1 . 2]" 1
1468 1 98 GLN H 1 98 GLN HG3 . . 4.620 4.253 3.835 4.617 . 0 0 "[ . 1 . 2]" 1
1469 1 98 GLN HA 1 98 GLN QG . . 3.260 2.309 2.021 2.858 . 0 0 "[ . 1 . 2]" 1
1470 1 98 GLN HA 1 99 VAL H . . 2.600 2.343 2.185 2.499 . 0 0 "[ . 1 . 2]" 1
1471 1 98 GLN QB 1 98 GLN QE . . 3.810 3.376 1.946 3.735 . 0 0 "[ . 1 . 2]" 1
1472 1 98 GLN QB 1 99 VAL H . . 3.900 3.173 2.699 3.646 . 0 0 "[ . 1 . 2]" 1
1473 1 98 GLN HB2 1 98 GLN HE22 . . 5.500 4.907 4.229 5.287 . 0 0 "[ . 1 . 2]" 1
1474 1 98 GLN HB3 1 98 GLN HE22 . . 5.500 4.483 3.228 5.379 . 0 0 "[ . 1 . 2]" 1
1475 1 98 GLN QE 1 98 GLN QG . . 2.940 2.190 2.068 2.543 . 0 0 "[ . 1 . 2]" 1
1476 1 98 GLN QE 1 99 VAL QG . . 5.270 2.358 1.871 3.158 . 0 0 "[ . 1 . 2]" 1
1477 1 98 GLN HE21 1 99 VAL HB . . 5.500 4.506 3.491 5.429 . 0 0 "[ . 1 . 2]" 1
1478 1 98 GLN HE22 1 99 VAL HB . . 5.500 5.089 4.239 5.501 0.001 8 0 "[ . 1 . 2]" 1
1479 1 98 GLN QG 1 99 VAL H . . 3.570 2.322 1.894 3.169 . 0 0 "[ . 1 . 2]" 1
1480 1 98 GLN HG2 1 99 VAL H . . 4.400 2.846 2.173 4.160 . 0 0 "[ . 1 . 2]" 1
1481 1 98 GLN HG3 1 99 VAL H . . 4.400 3.424 1.901 4.269 . 0 0 "[ . 1 . 2]" 1
1482 1 99 VAL H 1 99 VAL HB . . 2.590 2.611 2.527 2.671 0.081 11 0 "[ . 1 . 2]" 1
1483 1 99 VAL H 1 99 VAL QG . . 2.880 2.084 1.911 2.226 . 0 0 "[ . 1 . 2]" 1
1484 1 99 VAL H 1 100 PRO HD3 . . 4.950 4.684 4.566 4.803 . 0 0 "[ . 1 . 2]" 1
1485 1 99 VAL HA 1 99 VAL QG . . 2.930 2.368 2.338 2.405 . 0 0 "[ . 1 . 2]" 1
1486 1 99 VAL HA 1 100 PRO HD2 . . 2.750 2.073 1.998 2.180 . 0 0 "[ . 1 . 2]" 1
1487 1 99 VAL HA 1 100 PRO HD3 . . 2.700 2.273 2.252 2.306 . 0 0 "[ . 1 . 2]" 1
1488 1 99 VAL HB 1 100 PRO HD2 . . 4.280 3.602 3.485 3.678 . 0 0 "[ . 1 . 2]" 1
1489 1 99 VAL HB 1 100 PRO HD3 . . 4.540 4.545 4.450 4.608 0.068 11 0 "[ . 1 . 2]" 1
1490 1 99 VAL QG 1 100 PRO HD2 . . 3.740 1.970 1.813 2.271 . 0 0 "[ . 1 . 2]" 1
1491 1 99 VAL QG 1 100 PRO HD3 . . 4.510 3.294 3.099 3.543 . 0 0 "[ . 1 . 2]" 1
1492 1 100 PRO HA 1 101 GLN H . . 2.400 2.286 2.216 2.405 0.005 17 0 "[ . 1 . 2]" 1
1493 1 100 PRO HB2 1 101 GLN H . . 3.440 2.940 2.602 3.170 . 0 0 "[ . 1 . 2]" 1
1494 1 100 PRO HB2 1 102 GLN H . . 4.810 4.174 3.720 4.712 . 0 0 "[ . 1 . 2]" 1
1495 1 100 PRO HB3 1 101 GLN H . . 3.760 3.634 3.448 3.767 0.007 19 0 "[ . 1 . 2]" 1
1496 1 101 GLN H 1 101 GLN HB2 . . 3.350 3.154 2.563 3.362 0.012 7 0 "[ . 1 . 2]" 1
1497 1 101 GLN H 1 101 GLN HB3 . . 3.350 3.040 2.585 3.356 0.006 19 0 "[ . 1 . 2]" 1
1498 1 101 GLN H 1 101 GLN QG . . 4.290 4.210 4.023 4.291 0.001 13 0 "[ . 1 . 2]" 1
1499 1 101 GLN HA 1 101 GLN QG . . 3.660 2.326 2.080 2.724 . 0 0 "[ . 1 . 2]" 1
1500 1 101 GLN HA 1 102 GLN H . . 2.450 2.271 2.150 2.358 . 0 0 "[ . 1 . 2]" 1
1501 1 101 GLN QG 1 102 GLN H . . 3.710 3.578 3.253 3.742 0.032 11 0 "[ . 1 . 2]" 1
1502 1 102 GLN H 1 102 GLN HB2 . . 3.660 2.719 2.096 3.633 . 0 0 "[ . 1 . 2]" 1
1503 1 102 GLN H 1 102 GLN QB . . 3.190 2.498 2.064 2.943 . 0 0 "[ . 1 . 2]" 1
1504 1 102 GLN H 1 102 GLN HB3 . . 3.660 3.259 2.734 3.679 0.019 7 0 "[ . 1 . 2]" 1
1505 1 102 GLN HA 1 103 PRO HD2 . . 3.120 2.054 1.919 2.403 . 0 0 "[ . 1 . 2]" 1
1506 1 102 GLN HA 1 103 PRO HD3 . . 3.120 2.383 2.252 2.815 . 0 0 "[ . 1 . 2]" 1
1507 1 102 GLN QB 1 103 PRO QD . . 4.050 3.307 2.390 3.823 . 0 0 "[ . 1 . 2]" 1
1508 1 103 PRO HA 1 104 THR H . . 2.460 2.360 2.235 2.470 0.010 8 0 "[ . 1 . 2]" 1
1509 1 103 PRO QB 1 104 THR H . . 3.510 2.638 2.386 2.951 . 0 0 "[ . 1 . 2]" 1
1510 1 103 PRO HB2 1 104 THR H . . 4.240 2.729 2.441 3.095 . 0 0 "[ . 1 . 2]" 1
1511 1 103 PRO HB3 1 104 THR H . . 4.240 3.518 3.368 3.721 . 0 0 "[ . 1 . 2]" 1
1512 1 103 PRO QG 1 104 THR H . . 4.450 4.237 4.045 4.459 0.009 14 0 "[ . 1 . 2]" 1
1513 1 104 THR H 1 104 THR HB . . 3.690 3.029 2.400 3.692 0.002 18 0 "[ . 1 . 2]" 1
1514 1 104 THR H 1 104 THR MG . . 4.600 3.062 1.984 3.965 . 0 0 "[ . 1 . 2]" 1
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