NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571219 |
3zgk   |
18910 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_3zgk
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 676
_Distance_constraint_stats_list.Viol_count 833
_Distance_constraint_stats_list.Viol_total 889.704
_Distance_constraint_stats_list.Viol_max 0.200
_Distance_constraint_stats_list.Viol_rms 0.0165
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0534
_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 11 GLU 1.693 0.154 8 0 "[ . 1 . 2]"
1 12 LYS 3.705 0.154 8 0 "[ . 1 . 2]"
1 13 ALA 1.992 0.126 13 0 "[ . 1 . 2]"
1 14 ALA 0.685 0.112 5 0 "[ . 1 . 2]"
1 15 VAL 1.391 0.130 2 0 "[ . 1 . 2]"
1 16 LYS 3.942 0.168 15 0 "[ . 1 . 2]"
1 17 LYS 2.575 0.132 17 0 "[ . 1 . 2]"
1 18 MET 1.029 0.121 16 0 "[ . 1 . 2]"
1 19 ALA 1.813 0.132 17 0 "[ . 1 . 2]"
1 20 LYS 3.859 0.194 20 0 "[ . 1 . 2]"
1 21 ALA 1.555 0.143 17 0 "[ . 1 . 2]"
1 22 ILE 2.868 0.159 9 0 "[ . 1 . 2]"
1 23 MET 3.297 0.194 20 0 "[ . 1 . 2]"
1 24 ALA 0.506 0.115 9 0 "[ . 1 . 2]"
1 25 ASP 2.243 0.137 6 0 "[ . 1 . 2]"
1 26 PRO 0.368 0.159 9 0 "[ . 1 . 2]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 2.940 0.137 6 0 "[ . 1 . 2]"
1 29 ALA 0.756 0.135 20 0 "[ . 1 . 2]"
1 30 ASP 0.151 0.054 5 0 "[ . 1 . 2]"
1 31 ASP 0.629 0.124 16 0 "[ . 1 . 2]"
1 32 VAL 1.606 0.199 12 0 "[ . 1 . 2]"
1 33 TYR 1.932 0.103 7 0 "[ . 1 . 2]"
1 34 GLN 3.845 0.199 7 0 "[ . 1 . 2]"
1 35 LYS 3.751 0.199 12 0 "[ . 1 . 2]"
1 36 TRP 4.091 0.196 17 0 "[ . 1 . 2]"
1 37 ALA 1.526 0.191 8 0 "[ . 1 . 2]"
1 38 ASP 2.305 0.199 7 0 "[ . 1 . 2]"
1 39 LYS 3.595 0.192 1 0 "[ . 1 . 2]"
1 40 GLY 0.339 0.048 4 0 "[ . 1 . 2]"
1 41 TYR 2.601 0.192 1 0 "[ . 1 . 2]"
1 42 THR 0.160 0.086 9 0 "[ . 1 . 2]"
1 43 LEU 0.341 0.071 17 0 "[ . 1 . 2]"
1 44 THR 1.514 0.141 20 0 "[ . 1 . 2]"
1 45 GLN 1.332 0.105 4 0 "[ . 1 . 2]"
1 46 LEU 0.722 0.094 17 0 "[ . 1 . 2]"
1 47 SER 0.303 0.082 9 0 "[ . 1 . 2]"
1 48 ASP 0.070 0.036 19 0 "[ . 1 . 2]"
1 49 PHE 1.903 0.200 7 0 "[ . 1 . 2]"
1 50 LEU 1.186 0.196 1 0 "[ . 1 . 2]"
1 51 LYS 1.164 0.200 7 0 "[ . 1 . 2]"
1 57 LYS 0.219 0.072 3 0 "[ . 1 . 2]"
1 58 TYR 3.285 0.196 1 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ARG 2.025 0.177 19 0 "[ . 1 . 2]"
1 61 VAL 3.708 0.177 19 0 "[ . 1 . 2]"
1 62 TYR 1.614 0.115 7 0 "[ . 1 . 2]"
1 63 ASN 1.582 0.115 7 0 "[ . 1 . 2]"
1 64 GLY 0.205 0.092 18 0 "[ . 1 . 2]"
1 65 TYR 0.534 0.103 7 0 "[ . 1 . 2]"
1 66 MET 0.924 0.078 4 0 "[ . 1 . 2]"
1 67 THR 0.062 0.047 19 0 "[ . 1 . 2]"
1 68 TYR 3.273 0.167 18 0 "[ . 1 . 2]"
1 69 ARG 2.177 0.167 18 0 "[ . 1 . 2]"
1 71 TYR 0.882 0.118 3 0 "[ . 1 . 2]"
1 72 VAL 0.049 0.049 12 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 11 GLU HA 1 12 LYS QG 4.700 . 4.700 4.645 4.195 4.854 0.154 8 0 "[ . 1 . 2]" 1
2 1 11 GLU HA 1 14 ALA H 5.330 . 5.330 3.278 2.852 3.573 . 0 0 "[ . 1 . 2]" 1
3 1 11 GLU HA 1 14 ALA MB 3.730 . 3.730 2.943 2.065 3.775 0.045 2 0 "[ . 1 . 2]" 1
4 1 11 GLU HA 1 15 VAL H 4.660 . 4.660 4.193 3.506 4.757 0.097 2 0 "[ . 1 . 2]" 1
5 1 11 GLU HA 1 15 VAL QG 5.670 . 5.670 4.062 3.379 4.712 . 0 0 "[ . 1 . 2]" 1
6 1 11 GLU QB 1 12 LYS H 3.910 . 3.910 3.352 2.109 3.894 . 0 0 "[ . 1 . 2]" 1
7 1 11 GLU QB 1 15 VAL QG 5.490 . 5.490 3.001 1.921 4.086 . 0 0 "[ . 1 . 2]" 1
8 1 11 GLU QB 1 39 LYS QE 5.180 . 5.180 4.390 2.544 5.229 0.049 12 0 "[ . 1 . 2]" 1
9 1 11 GLU QG 1 14 ALA MB . . 4.640 3.945 1.897 4.752 0.112 5 0 "[ . 1 . 2]" 1
10 1 11 GLU QG 1 15 VAL QG . . 4.820 3.864 2.050 4.950 0.130 2 0 "[ . 1 . 2]" 1
11 1 12 LYS H 1 13 ALA HA 4.440 . 4.440 3.718 3.195 4.123 . 0 0 "[ . 1 . 2]" 1
12 1 12 LYS H 1 15 VAL QG 4.930 . 4.930 2.931 2.161 3.284 . 0 0 "[ . 1 . 2]" 1
13 1 12 LYS H 1 49 PHE QB 5.700 . 5.700 4.058 3.335 4.604 . 0 0 "[ . 1 . 2]" 1
14 1 12 LYS HA 1 15 VAL H 4.610 . 4.610 3.555 3.007 4.100 . 0 0 "[ . 1 . 2]" 1
15 1 12 LYS HA 1 15 VAL H 5.220 . 5.220 3.468 2.981 3.927 . 0 0 "[ . 1 . 2]" 1
16 1 12 LYS HA 1 15 VAL HB 4.030 . 4.030 3.075 2.239 4.128 0.098 17 0 "[ . 1 . 2]" 1
17 1 12 LYS HA 1 15 VAL QG 4.320 . 4.320 2.744 1.831 3.990 . 0 0 "[ . 1 . 2]" 1
18 1 12 LYS HA 1 15 VAL QG 5.560 . 5.560 2.650 1.827 3.661 . 0 0 "[ . 1 . 2]" 1
19 1 12 LYS HA 1 49 PHE HA 4.020 . 4.020 3.468 2.627 4.107 0.087 10 0 "[ . 1 . 2]" 1
20 1 12 LYS HA 1 49 PHE QB 4.140 . 4.140 2.803 2.208 3.315 . 0 0 "[ . 1 . 2]" 1
21 1 12 LYS HA 1 49 PHE QD 4.900 . 4.900 2.414 1.835 3.161 . 0 0 "[ . 1 . 2]" 1
22 1 12 LYS HA 1 49 PHE QE 4.100 . 4.100 3.965 3.300 4.187 0.087 11 0 "[ . 1 . 2]" 1
23 1 12 LYS QB 1 13 ALA H 5.030 . 5.030 3.363 2.214 3.668 . 0 0 "[ . 1 . 2]" 1
24 1 12 LYS QB 1 13 ALA HA 4.080 . 4.080 3.191 2.368 3.763 . 0 0 "[ . 1 . 2]" 1
25 1 12 LYS QB 1 13 ALA MB 3.920 . 3.920 3.847 3.043 4.018 0.098 7 0 "[ . 1 . 2]" 1
26 1 12 LYS QB 1 14 ALA H 5.700 . 5.700 4.440 3.952 4.635 . 0 0 "[ . 1 . 2]" 1
27 1 12 LYS QB 1 15 VAL H 5.700 . 5.700 5.032 4.611 5.507 . 0 0 "[ . 1 . 2]" 1
28 1 12 LYS QB 1 49 PHE HA 3.570 . 3.570 2.616 1.780 3.585 0.015 8 0 "[ . 1 . 2]" 1
29 1 12 LYS QD 1 13 ALA H 4.230 . 4.230 3.783 1.869 4.345 0.115 12 0 "[ . 1 . 2]" 1
30 1 12 LYS QG 1 13 ALA HA 5.430 . 5.430 4.106 3.308 5.229 . 0 0 "[ . 1 . 2]" 1
31 1 12 LYS QG 1 13 ALA MB 4.040 . 4.040 3.373 2.863 4.166 0.126 13 0 "[ . 1 . 2]" 1
32 1 12 LYS QG 1 49 PHE HA 4.180 . 4.180 2.837 2.168 3.698 . 0 0 "[ . 1 . 2]" 1
33 1 12 LYS QG 1 49 PHE HA 5.580 . 5.580 4.479 3.779 5.525 . 0 0 "[ . 1 . 2]" 1
34 1 12 LYS QG 1 49 PHE QE 5.570 . 5.570 4.538 3.708 5.639 0.069 2 0 "[ . 1 . 2]" 1
35 1 13 ALA H 1 14 ALA MB 5.190 . 5.190 4.135 3.881 4.290 . 0 0 "[ . 1 . 2]" 1
36 1 13 ALA HA 1 15 VAL H 4.970 . 4.970 4.572 4.287 4.938 . 0 0 "[ . 1 . 2]" 1
37 1 13 ALA HA 1 16 LYS QB 4.570 . 4.570 3.345 2.378 4.109 . 0 0 "[ . 1 . 2]" 1
38 1 13 ALA HA 1 16 LYS QD 4.150 . 4.150 3.382 2.784 4.203 0.053 19 0 "[ . 1 . 2]" 1
39 1 13 ALA MB 1 14 ALA H 4.550 . 4.550 2.880 2.680 3.045 . 0 0 "[ . 1 . 2]" 1
40 1 14 ALA H 1 15 VAL H 5.460 . 5.460 2.340 2.197 2.601 . 0 0 "[ . 1 . 2]" 1
41 1 14 ALA HA 1 17 LYS H 4.200 . 4.200 3.576 3.257 3.993 . 0 0 "[ . 1 . 2]" 1
42 1 14 ALA HA 1 17 LYS QB 3.380 . 3.380 3.176 2.395 3.442 0.062 8 0 "[ . 1 . 2]" 1
43 1 14 ALA HA 1 18 MET QG 5.610 . 5.610 4.881 4.033 5.631 0.021 19 0 "[ . 1 . 2]" 1
44 1 14 ALA MB 1 15 VAL H 3.720 . 3.720 2.482 2.245 2.688 . 0 0 "[ . 1 . 2]" 1
45 1 14 ALA MB 1 15 VAL HA 4.930 . 4.930 3.814 3.692 3.929 . 0 0 "[ . 1 . 2]" 1
46 1 14 ALA MB 1 15 VAL QG 4.660 . 4.660 3.208 2.747 3.964 . 0 0 "[ . 1 . 2]" 1
47 1 14 ALA MB 1 36 TRP HE1 5.700 . 5.700 4.069 2.770 5.725 0.025 1 0 "[ . 1 . 2]" 1
48 1 14 ALA MB 1 36 TRP HE1 5.700 . 5.700 4.449 3.805 5.196 . 0 0 "[ . 1 . 2]" 1
49 1 15 VAL H 1 15 VAL HB 3.400 . 3.400 2.577 2.363 3.519 0.119 17 0 "[ . 1 . 2]" 1
50 1 15 VAL H 1 15 VAL QG . . 3.500 2.082 1.841 2.245 . 0 0 "[ . 1 . 2]" 1
51 1 15 VAL H 1 17 LYS H 5.590 . 5.590 4.143 3.940 4.312 . 0 0 "[ . 1 . 2]" 1
52 1 15 VAL H 1 49 PHE QB 5.700 . 5.700 4.713 4.071 5.314 . 0 0 "[ . 1 . 2]" 1
53 1 15 VAL HA 1 15 VAL QG 3.100 . 3.100 2.177 2.106 2.420 . 0 0 "[ . 1 . 2]" 1
54 1 15 VAL HA 1 18 MET H 4.510 . 4.510 3.399 3.020 3.767 . 0 0 "[ . 1 . 2]" 1
55 1 15 VAL HA 1 18 MET QB 4.020 . 4.020 3.009 2.249 3.567 . 0 0 "[ . 1 . 2]" 1
56 1 15 VAL HA 1 18 MET QG 4.730 . 4.730 3.327 2.334 4.341 . 0 0 "[ . 1 . 2]" 1
57 1 15 VAL HA 1 19 ALA H 4.640 . 4.640 4.108 3.804 4.526 . 0 0 "[ . 1 . 2]" 1
58 1 15 VAL HA 1 19 ALA MB 5.640 . 5.640 4.634 4.227 5.018 . 0 0 "[ . 1 . 2]" 1
59 1 15 VAL HA 1 36 TRP HE1 3.930 . 3.930 3.466 2.644 4.056 0.126 17 0 "[ . 1 . 2]" 1
60 1 15 VAL HA 1 36 TRP HZ2 3.980 . 3.980 3.368 1.894 4.005 0.025 12 0 "[ . 1 . 2]" 1
61 1 15 VAL HB 1 16 LYS H 3.940 . 3.940 2.947 2.355 3.990 0.050 12 0 "[ . 1 . 2]" 1
62 1 15 VAL HB 1 49 PHE QB 4.010 . 4.010 2.790 2.048 4.065 0.055 19 0 "[ . 1 . 2]" 1
63 1 15 VAL QG 1 16 LYS H 4.740 . 4.740 3.024 2.179 3.387 . 0 0 "[ . 1 . 2]" 1
64 1 15 VAL QG 1 16 LYS HA 3.880 . 3.880 3.325 3.087 3.573 . 0 0 "[ . 1 . 2]" 1
65 1 15 VAL QG 1 16 LYS QG 4.370 . 4.370 3.051 2.156 3.567 . 0 0 "[ . 1 . 2]" 1
66 1 15 VAL QG 1 17 LYS H 5.700 . 5.700 4.321 4.022 4.479 . 0 0 "[ . 1 . 2]" 1
67 1 15 VAL QG 1 18 MET H 5.700 . 5.700 4.216 3.896 4.509 . 0 0 "[ . 1 . 2]" 1
68 1 15 VAL QG 1 19 ALA H 5.700 . 5.700 3.744 3.508 4.321 . 0 0 "[ . 1 . 2]" 1
69 1 15 VAL QG 1 19 ALA HA 5.700 . 5.700 4.283 3.828 5.085 . 0 0 "[ . 1 . 2]" 1
70 1 15 VAL QG 1 19 ALA MB 3.510 . 3.510 2.470 1.925 2.873 . 0 0 "[ . 1 . 2]" 1
71 1 15 VAL QG 1 20 LYS H 5.700 . 5.700 5.600 5.352 5.787 0.087 17 0 "[ . 1 . 2]" 1
72 1 15 VAL QG 1 36 TRP HE1 . . 4.500 2.520 1.586 4.024 . 0 0 "[ . 1 . 2]" 1
73 1 15 VAL QG 1 36 TRP HZ2 4.000 . 4.000 2.482 1.759 3.061 . 0 0 "[ . 1 . 2]" 1
74 1 15 VAL QG 1 41 TYR QD 5.660 . 5.660 3.655 3.094 4.250 . 0 0 "[ . 1 . 2]" 1
75 1 15 VAL QG 1 41 TYR QE 3.920 . 3.920 3.006 2.172 3.948 0.028 20 0 "[ . 1 . 2]" 1
76 1 15 VAL QG 1 46 LEU QD . . 3.820 2.361 1.846 3.813 . 0 0 "[ . 1 . 2]" 1
77 1 15 VAL QG 1 49 PHE H 5.700 . 5.700 4.601 4.218 5.015 . 0 0 "[ . 1 . 2]" 1
78 1 15 VAL QG 1 49 PHE HA 4.870 . 4.870 4.161 3.435 4.894 0.024 13 0 "[ . 1 . 2]" 1
79 1 15 VAL QG 1 49 PHE QB . . 3.670 2.214 1.757 2.935 . 0 0 "[ . 1 . 2]" 1
80 1 15 VAL QG 1 49 PHE QE . . 4.360 3.400 2.729 4.184 . 0 0 "[ . 1 . 2]" 1
81 1 15 VAL QG 1 50 LEU H 5.270 . 5.270 4.334 3.827 5.133 . 0 0 "[ . 1 . 2]" 1
82 1 15 VAL QG 1 50 LEU HA 3.130 . 3.130 2.628 2.463 3.048 . 0 0 "[ . 1 . 2]" 1
83 1 15 VAL QG 1 61 VAL QG 4.290 . 4.290 3.179 2.560 3.636 . 0 0 "[ . 1 . 2]" 1
84 1 16 LYS H 1 17 LYS H 4.470 . 4.470 2.673 2.522 2.786 . 0 0 "[ . 1 . 2]" 1
85 1 16 LYS H 1 19 ALA H 5.700 . 5.700 4.601 4.427 4.712 . 0 0 "[ . 1 . 2]" 1
86 1 16 LYS H 1 49 PHE QB 5.700 . 5.700 4.291 3.360 4.968 . 0 0 "[ . 1 . 2]" 1
87 1 16 LYS H 1 50 LEU QD 4.830 . 4.830 3.229 2.384 3.644 . 0 0 "[ . 1 . 2]" 1
88 1 16 LYS HA 1 16 LYS QD 3.880 . 3.880 3.931 3.724 4.048 0.168 15 0 "[ . 1 . 2]" 1
89 1 16 LYS HA 1 16 LYS QG 3.730 . 3.730 2.340 2.221 2.485 . 0 0 "[ . 1 . 2]" 1
90 1 16 LYS HA 1 19 ALA H 4.380 . 4.380 3.183 2.637 3.395 . 0 0 "[ . 1 . 2]" 1
91 1 16 LYS HA 1 19 ALA MB 3.410 . 3.410 2.120 1.896 2.454 . 0 0 "[ . 1 . 2]" 1
92 1 16 LYS HA 1 20 LYS H 5.700 . 5.700 3.868 3.512 4.390 . 0 0 "[ . 1 . 2]" 1
93 1 16 LYS HA 1 50 LEU HG 4.090 . 4.090 3.919 3.384 4.230 0.140 1 0 "[ . 1 . 2]" 1
94 1 16 LYS QB 1 16 LYS QD 2.790 . 2.790 2.135 1.993 2.332 . 0 0 "[ . 1 . 2]" 1
95 1 16 LYS QB 1 17 LYS H 4.640 . 4.640 2.977 2.696 3.192 . 0 0 "[ . 1 . 2]" 1
96 1 16 LYS QB 1 17 LYS HA 4.450 . 4.450 4.001 3.794 4.283 . 0 0 "[ . 1 . 2]" 1
97 1 16 LYS QB 1 17 LYS HA 3.890 . 3.890 3.049 1.972 3.751 . 0 0 "[ . 1 . 2]" 1
98 1 16 LYS QB 1 17 LYS HA 4.710 . 4.710 3.748 3.536 3.937 . 0 0 "[ . 1 . 2]" 1
99 1 16 LYS QB 1 17 LYS QD 3.370 . 3.370 3.254 2.619 3.502 0.132 17 0 "[ . 1 . 2]" 1
100 1 16 LYS QB 1 58 TYR QE 5.520 . 5.520 3.623 2.505 5.167 . 0 0 "[ . 1 . 2]" 1
101 1 16 LYS QE 1 19 ALA MB 5.050 . 5.050 3.305 3.150 3.620 . 0 0 "[ . 1 . 2]" 1
102 1 16 LYS QG 1 19 ALA MB 3.680 . 3.680 3.515 2.837 3.750 0.070 9 0 "[ . 1 . 2]" 1
103 1 16 LYS QG 1 49 PHE QB 4.810 . 4.810 3.615 2.236 4.292 . 0 0 "[ . 1 . 2]" 1
104 1 16 LYS QG 1 50 LEU HA 4.620 . 4.620 2.782 2.174 3.510 . 0 0 "[ . 1 . 2]" 1
105 1 16 LYS QG 1 50 LEU HG 4.000 . 4.000 3.642 2.184 4.058 0.058 16 0 "[ . 1 . 2]" 1
106 1 16 LYS QG 1 58 TYR QE 5.700 . 5.700 3.716 3.096 4.924 . 0 0 "[ . 1 . 2]" 1
107 1 17 LYS H 1 17 LYS QB 3.160 . 3.160 2.337 2.131 2.527 . 0 0 "[ . 1 . 2]" 1
108 1 17 LYS H 1 18 MET QB 5.700 . 5.700 4.436 4.155 4.752 . 0 0 "[ . 1 . 2]" 1
109 1 17 LYS HA 1 19 ALA MB 5.280 . 5.280 4.008 3.380 4.398 . 0 0 "[ . 1 . 2]" 1
110 1 17 LYS HA 1 20 LYS H 4.470 . 4.470 3.610 3.283 4.227 . 0 0 "[ . 1 . 2]" 1
111 1 17 LYS HA 1 21 ALA H 4.880 . 4.880 4.544 4.212 4.951 0.071 13 0 "[ . 1 . 2]" 1
112 1 17 LYS QB 1 18 MET QB 5.120 . 5.120 4.272 3.969 4.760 . 0 0 "[ . 1 . 2]" 1
113 1 17 LYS QB 1 18 MET QG 4.100 . 4.100 3.227 2.697 3.791 . 0 0 "[ . 1 . 2]" 1
114 1 17 LYS QB 1 19 ALA H 5.250 . 5.250 4.084 3.875 4.375 . 0 0 "[ . 1 . 2]" 1
115 1 17 LYS QB 1 19 ALA MB 4.500 . 4.500 3.683 3.379 3.893 . 0 0 "[ . 1 . 2]" 1
116 1 17 LYS QB 1 21 ALA MB 3.880 . 3.880 3.824 3.388 3.999 0.119 5 0 "[ . 1 . 2]" 1
117 1 17 LYS QG 1 18 MET H 5.080 . 5.080 4.160 3.673 4.716 . 0 0 "[ . 1 . 2]" 1
118 1 17 LYS QG 1 18 MET HA 5.630 . 5.630 5.387 4.149 5.697 0.067 20 0 "[ . 1 . 2]" 1
119 1 18 MET H 1 18 MET QG 3.810 . 3.810 2.382 2.089 2.769 . 0 0 "[ . 1 . 2]" 1
120 1 18 MET H 1 19 ALA H 4.250 . 4.250 2.384 2.233 2.552 . 0 0 "[ . 1 . 2]" 1
121 1 18 MET H 1 21 ALA MB 5.700 . 5.700 4.701 4.357 5.175 . 0 0 "[ . 1 . 2]" 1
122 1 18 MET H 1 36 TRP HE1 5.700 . 5.700 5.559 4.976 5.821 0.121 16 0 "[ . 1 . 2]" 1
123 1 18 MET H 1 36 TRP HZ2 5.700 . 5.700 4.356 3.795 5.725 0.025 1 0 "[ . 1 . 2]" 1
124 1 18 MET HA 1 21 ALA MB 3.580 . 3.580 2.533 2.099 3.158 . 0 0 "[ . 1 . 2]" 1
125 1 18 MET HA 1 22 ILE H 4.890 . 4.890 4.343 3.828 4.753 . 0 0 "[ . 1 . 2]" 1
126 1 18 MET HA 1 32 VAL QG 4.630 . 4.630 3.632 3.201 3.936 . 0 0 "[ . 1 . 2]" 1
127 1 18 MET HA 1 32 VAL QG . . 4.940 3.825 3.272 4.278 . 0 0 "[ . 1 . 2]" 1
128 1 18 MET QB 1 19 ALA H 4.640 . 4.640 2.619 2.231 2.899 . 0 0 "[ . 1 . 2]" 1
129 1 18 MET QB 1 32 VAL QG . . 4.740 2.248 1.829 2.627 . 0 0 "[ . 1 . 2]" 1
130 1 18 MET QB 1 36 TRP HE1 4.850 . 4.850 3.395 2.808 4.319 . 0 0 "[ . 1 . 2]" 1
131 1 18 MET QB 1 36 TRP HZ2 4.400 . 4.400 2.408 1.824 3.697 . 0 0 "[ . 1 . 2]" 1
132 1 18 MET QG 1 32 VAL QG 5.700 . 5.700 3.239 2.353 3.980 . 0 0 "[ . 1 . 2]" 1
133 1 19 ALA H 1 19 ALA MB 3.530 . 3.530 2.211 2.169 2.241 . 0 0 "[ . 1 . 2]" 1
134 1 19 ALA H 1 20 LYS HA 4.710 . 4.710 3.918 3.518 4.350 . 0 0 "[ . 1 . 2]" 1
135 1 19 ALA H 1 58 TYR QE 5.700 . 5.700 4.954 4.367 5.726 0.026 6 0 "[ . 1 . 2]" 1
136 1 19 ALA HA 1 22 ILE HB 4.390 . 4.390 3.191 2.747 4.449 0.059 17 0 "[ . 1 . 2]" 1
137 1 19 ALA HA 1 22 ILE MD 3.870 . 3.870 3.026 2.078 3.858 . 0 0 "[ . 1 . 2]" 1
138 1 19 ALA HA 1 22 ILE QG 5.330 . 5.330 3.076 2.076 3.589 . 0 0 "[ . 1 . 2]" 1
139 1 19 ALA HA 1 32 VAL QG 5.330 . 5.330 4.292 3.687 5.131 . 0 0 "[ . 1 . 2]" 1
140 1 19 ALA HA 1 61 VAL QG 4.410 . 4.410 1.909 1.767 2.113 . 0 0 "[ . 1 . 2]" 1
141 1 19 ALA MB 1 20 LYS H 4.210 . 4.210 2.371 2.058 2.544 . 0 0 "[ . 1 . 2]" 1
142 1 19 ALA MB 1 20 LYS H 4.310 . 4.310 2.359 2.054 2.525 . 0 0 "[ . 1 . 2]" 1
143 1 19 ALA MB 1 21 ALA H 5.510 . 5.510 3.881 3.730 4.016 . 0 0 "[ . 1 . 2]" 1
144 1 19 ALA MB 1 22 ILE HB 4.250 . 4.250 4.172 3.730 4.374 0.124 20 0 "[ . 1 . 2]" 1
145 1 19 ALA MB 1 22 ILE MD 5.050 . 5.050 3.846 3.331 4.170 . 0 0 "[ . 1 . 2]" 1
146 1 19 ALA MB 1 22 ILE MD 5.700 . 5.700 4.057 3.350 4.571 . 0 0 "[ . 1 . 2]" 1
147 1 19 ALA MB 1 22 ILE MD . . 3.500 3.088 2.087 3.569 0.069 9 0 "[ . 1 . 2]" 1
148 1 19 ALA MB 1 23 MET QG 5.390 . 5.390 3.430 2.035 4.403 . 0 0 "[ . 1 . 2]" 1
149 1 19 ALA MB 1 49 PHE H 5.700 . 5.700 4.497 4.279 4.779 . 0 0 "[ . 1 . 2]" 1
150 1 19 ALA MB 1 49 PHE QB 5.560 . 5.560 4.847 4.191 5.387 . 0 0 "[ . 1 . 2]" 1
151 1 19 ALA MB 1 58 TYR QB . . 4.020 2.555 1.902 3.199 . 0 0 "[ . 1 . 2]" 1
152 1 19 ALA MB 1 50 LEU QD 4.840 . 4.840 2.211 1.823 2.700 . 0 0 "[ . 1 . 2]" 1
153 1 19 ALA MB 1 58 TYR QD 4.150 . 4.150 2.863 2.270 3.773 . 0 0 "[ . 1 . 2]" 1
154 1 19 ALA MB 1 58 TYR QE 4.410 . 4.410 3.337 2.408 4.424 0.014 2 0 "[ . 1 . 2]" 1
155 1 19 ALA MB 1 61 VAL HB 4.980 . 4.980 3.677 3.426 4.330 . 0 0 "[ . 1 . 2]" 1
156 1 19 ALA MB 1 61 VAL QG 3.110 . 3.110 1.912 1.793 2.302 . 0 0 "[ . 1 . 2]" 1
157 1 20 LYS H 1 20 LYS QB 3.860 . 3.860 2.373 2.156 2.743 . 0 0 "[ . 1 . 2]" 1
158 1 20 LYS H 1 21 ALA H 4.190 . 4.190 2.617 2.419 2.761 . 0 0 "[ . 1 . 2]" 1
159 1 20 LYS H 1 21 ALA MB 5.400 . 5.400 4.299 4.067 4.479 . 0 0 "[ . 1 . 2]" 1
160 1 20 LYS H 1 61 VAL HB 5.700 . 5.700 5.667 5.378 5.844 0.144 5 0 "[ . 1 . 2]" 1
161 1 20 LYS HA 1 23 MET QG 4.020 . 4.020 2.415 1.725 2.714 . 0 0 "[ . 1 . 2]" 1
162 1 20 LYS HA 1 61 VAL HB 3.680 . 3.680 3.479 2.971 3.830 0.150 5 0 "[ . 1 . 2]" 1
163 1 20 LYS HA 1 23 MET QB 3.490 . 3.490 2.579 1.914 3.684 0.194 20 0 "[ . 1 . 2]" 1
164 1 20 LYS HA 1 23 MET QG 4.830 . 4.830 3.697 1.731 4.449 . 0 0 "[ . 1 . 2]" 1
165 1 20 LYS QB 1 21 ALA H 4.210 . 4.210 2.602 2.228 3.295 . 0 0 "[ . 1 . 2]" 1
166 1 20 LYS QB 1 23 MET QB 3.070 . 3.070 2.969 2.108 3.229 0.159 15 0 "[ . 1 . 2]" 1
167 1 20 LYS QD 1 21 ALA MB 3.430 . 3.430 3.156 2.497 3.573 0.143 17 0 "[ . 1 . 2]" 1
168 1 21 ALA H 1 21 ALA MB 3.180 . 3.180 2.245 2.179 2.298 . 0 0 "[ . 1 . 2]" 1
169 1 21 ALA H 1 22 ILE MD 5.460 . 5.460 4.504 3.478 5.020 . 0 0 "[ . 1 . 2]" 1
170 1 21 ALA HA 1 24 ALA H 5.190 . 5.190 3.569 3.102 4.041 . 0 0 "[ . 1 . 2]" 1
171 1 21 ALA HA 1 24 ALA MB 3.620 . 3.620 3.172 2.618 3.699 0.079 20 0 "[ . 1 . 2]" 1
172 1 21 ALA MB 1 22 ILE H 3.700 . 3.700 2.691 2.431 2.907 . 0 0 "[ . 1 . 2]" 1
173 1 21 ALA MB 1 22 ILE HA 5.480 . 5.480 3.959 3.817 4.116 . 0 0 "[ . 1 . 2]" 1
174 1 21 ALA MB 1 22 ILE MD 5.060 . 5.060 2.951 2.402 3.800 . 0 0 "[ . 1 . 2]" 1
175 1 21 ALA MB 1 25 ASP QB 4.970 . 4.970 4.171 2.884 5.056 0.086 1 0 "[ . 1 . 2]" 1
176 1 21 ALA MB 1 32 VAL QG 5.160 . 5.160 3.655 2.272 4.408 . 0 0 "[ . 1 . 2]" 1
177 1 22 ILE H 1 22 ILE HB 3.690 . 3.690 2.475 2.169 2.769 . 0 0 "[ . 1 . 2]" 1
178 1 22 ILE H 1 22 ILE MD . . 4.580 2.943 1.911 3.353 . 0 0 "[ . 1 . 2]" 1
179 1 22 ILE H 1 22 ILE MD 4.000 . 4.000 2.895 1.910 3.295 . 0 0 "[ . 1 . 2]" 1
180 1 22 ILE H 1 23 MET QB 5.120 . 5.120 4.023 3.644 4.576 . 0 0 "[ . 1 . 2]" 1
181 1 22 ILE H 1 23 MET QG 5.700 . 5.700 4.888 3.772 5.488 . 0 0 "[ . 1 . 2]" 1
182 1 22 ILE H 1 28 LYS H 5.700 . 5.700 5.667 5.141 5.837 0.137 6 0 "[ . 1 . 2]" 1
183 1 22 ILE H 1 32 VAL QG 4.910 . 4.910 3.642 3.132 3.836 . 0 0 "[ . 1 . 2]" 1
184 1 22 ILE HA 1 25 ASP H 4.860 . 4.860 3.370 2.913 4.235 . 0 0 "[ . 1 . 2]" 1
185 1 22 ILE HA 1 25 ASP QB 5.200 . 5.200 4.131 3.191 5.263 0.063 1 0 "[ . 1 . 2]" 1
186 1 22 ILE HA 1 26 PRO HA 4.340 . 4.340 3.704 2.335 4.368 0.028 9 0 "[ . 1 . 2]" 1
187 1 22 ILE HA 1 28 LYS H 5.700 . 5.700 5.197 4.549 5.715 0.015 12 0 "[ . 1 . 2]" 1
188 1 22 ILE HA 1 28 LYS QD 3.700 . 3.700 3.565 2.484 3.797 0.097 1 0 "[ . 1 . 2]" 1
189 1 22 ILE HA 1 29 ALA HA 4.980 . 4.980 3.961 2.292 4.522 . 0 0 "[ . 1 . 2]" 1
190 1 22 ILE HA 1 29 ALA MB 5.220 . 5.220 3.418 2.377 4.306 . 0 0 "[ . 1 . 2]" 1
191 1 22 ILE HA 1 32 VAL QG 5.680 . 5.680 4.515 3.240 4.979 . 0 0 "[ . 1 . 2]" 1
192 1 22 ILE HB 1 23 MET H 4.120 . 4.120 2.818 2.121 4.132 0.012 17 0 "[ . 1 . 2]" 1
193 1 22 ILE HB 1 24 ALA H 5.700 . 5.700 5.024 4.775 5.550 . 0 0 "[ . 1 . 2]" 1
194 1 22 ILE HB 1 29 ALA HA 4.280 . 4.280 4.145 3.486 4.355 0.075 12 0 "[ . 1 . 2]" 1
195 1 22 ILE HB 1 32 VAL HB 5.580 . 5.580 4.908 3.303 5.477 . 0 0 "[ . 1 . 2]" 1
196 1 22 ILE HB 1 29 ALA MB 5.220 . 5.220 4.371 4.123 4.636 . 0 0 "[ . 1 . 2]" 1
197 1 22 ILE HB 1 61 VAL QG . . 4.500 2.267 1.935 4.167 . 0 0 "[ . 1 . 2]" 1
198 1 22 ILE MD 1 24 ALA H 5.700 . 5.700 4.335 4.078 4.579 . 0 0 "[ . 1 . 2]" 1
199 1 22 ILE MD 1 29 ALA HA 3.790 . 3.790 2.041 1.826 2.517 . 0 0 "[ . 1 . 2]" 1
200 1 22 ILE MD 1 22 ILE MG 3.580 . 3.580 2.263 1.861 3.266 . 0 0 "[ . 1 . 2]" 1
201 1 22 ILE MD 1 23 MET H . . 4.600 3.283 2.430 3.672 . 0 0 "[ . 1 . 2]" 1
202 1 22 ILE MD 1 23 MET HA 4.580 . 4.580 2.557 2.166 3.020 . 0 0 "[ . 1 . 2]" 1
203 1 22 ILE MD 1 23 MET QG 5.700 . 5.700 4.456 3.781 5.063 . 0 0 "[ . 1 . 2]" 1
204 1 22 ILE MD 1 24 ALA H 5.700 . 5.700 3.162 2.556 4.316 . 0 0 "[ . 1 . 2]" 1
205 1 22 ILE MD 1 26 PRO HA 3.800 . 3.800 3.051 2.439 3.959 0.159 9 0 "[ . 1 . 2]" 1
206 1 22 ILE MD 1 26 PRO QB 5.090 . 5.090 3.898 2.681 4.948 . 0 0 "[ . 1 . 2]" 1
207 1 22 ILE MD 1 26 PRO QB 5.010 . 5.010 3.581 2.636 4.366 . 0 0 "[ . 1 . 2]" 1
208 1 22 ILE MD 1 29 ALA H . . 4.780 3.990 3.595 4.477 . 0 0 "[ . 1 . 2]" 1
209 1 22 ILE MD 1 29 ALA HA . . 3.660 2.520 1.840 3.163 . 0 0 "[ . 1 . 2]" 1
210 1 22 ILE MD 1 29 ALA MB . . 3.840 1.979 1.811 2.461 . 0 0 "[ . 1 . 2]" 1
211 1 22 ILE MD 1 30 ASP H 5.700 . 5.700 4.851 4.444 5.164 . 0 0 "[ . 1 . 2]" 1
212 1 22 ILE MD 1 32 VAL H . . 5.450 4.093 3.433 4.611 . 0 0 "[ . 1 . 2]" 1
213 1 22 ILE MD 1 32 VAL HA 5.700 . 5.700 4.466 4.284 4.810 . 0 0 "[ . 1 . 2]" 1
214 1 22 ILE MD 1 32 VAL HB 4.070 . 4.070 2.129 1.828 3.002 . 0 0 "[ . 1 . 2]" 1
215 1 22 ILE MD 1 32 VAL QG . . 3.650 1.925 1.694 2.236 . 0 0 "[ . 1 . 2]" 1
216 1 22 ILE MD 1 33 TYR H 5.340 . 5.340 4.057 3.518 4.745 . 0 0 "[ . 1 . 2]" 1
217 1 22 ILE MD 1 33 TYR QD 5.700 . 5.700 3.230 2.686 4.079 . 0 0 "[ . 1 . 2]" 1
218 1 22 ILE MD 1 33 TYR QE 3.920 . 3.920 2.116 1.787 2.580 . 0 0 "[ . 1 . 2]" 1
219 1 22 ILE MD 1 61 VAL H 5.700 . 5.700 3.978 3.543 4.541 . 0 0 "[ . 1 . 2]" 1
220 1 22 ILE MD 1 61 VAL QG 4.090 . 4.090 1.719 1.564 1.887 . 0 0 "[ . 1 . 2]" 1
221 1 22 ILE MD 1 61 VAL HA 5.050 . 5.050 2.672 2.180 3.417 . 0 0 "[ . 1 . 2]" 1
222 1 22 ILE MD 1 61 VAL HB 5.230 . 5.230 3.081 2.417 4.354 . 0 0 "[ . 1 . 2]" 1
223 1 22 ILE MD 1 61 VAL QG 3.830 . 3.830 1.950 1.750 2.322 . 0 0 "[ . 1 . 2]" 1
224 1 22 ILE QG 1 32 VAL HA 5.700 . 5.700 5.367 4.572 5.677 . 0 0 "[ . 1 . 2]" 1
225 1 23 MET H 1 23 MET QB 3.630 . 3.630 2.285 2.179 2.596 . 0 0 "[ . 1 . 2]" 1
226 1 23 MET H 1 23 MET QG 4.760 . 4.760 3.621 2.280 4.001 . 0 0 "[ . 1 . 2]" 1
227 1 23 MET H 1 24 ALA H 4.300 . 4.300 2.653 2.493 2.919 . 0 0 "[ . 1 . 2]" 1
228 1 23 MET H 1 61 VAL QG 5.420 . 5.420 3.271 2.173 3.509 . 0 0 "[ . 1 . 2]" 1
229 1 23 MET H 1 61 VAL HB 4.330 . 4.330 3.267 2.636 4.392 0.062 5 0 "[ . 1 . 2]" 1
230 1 23 MET HA 1 24 ALA HA 4.710 . 4.710 4.601 4.518 4.690 . 0 0 "[ . 1 . 2]" 1
231 1 23 MET HA 1 60 ARG QD 5.590 . 5.590 2.980 1.923 4.486 . 0 0 "[ . 1 . 2]" 1
232 1 23 MET HA 1 60 ARG QD 4.140 . 4.140 2.942 1.921 4.317 0.177 19 0 "[ . 1 . 2]" 1
233 1 23 MET QB 1 24 ALA H 5.180 . 5.180 3.032 2.384 3.760 . 0 0 "[ . 1 . 2]" 1
234 1 23 MET QB 1 24 ALA HA 5.140 . 5.140 4.484 4.202 4.701 . 0 0 "[ . 1 . 2]" 1
235 1 23 MET QB 1 61 VAL HB 3.730 . 3.730 2.780 1.991 3.772 0.042 5 0 "[ . 1 . 2]" 1
236 1 23 MET QG 1 24 ALA MB 4.740 . 4.740 3.080 2.816 3.315 . 0 0 "[ . 1 . 2]" 1
237 1 23 MET QG 1 25 ASP H 5.450 . 5.450 5.302 4.447 5.557 0.107 11 0 "[ . 1 . 2]" 1
238 1 23 MET QG 1 61 VAL QG 3.760 . 3.760 2.056 1.842 3.592 . 0 0 "[ . 1 . 2]" 1
239 1 23 MET QG 1 60 ARG QB 5.470 . 5.470 3.064 1.982 4.828 . 0 0 "[ . 1 . 2]" 1
240 1 23 MET QG 1 60 ARG QD 4.800 . 4.800 3.308 1.910 4.852 0.052 19 0 "[ . 1 . 2]" 1
241 1 23 MET QG 1 61 VAL QG . . 4.550 4.025 3.393 4.599 0.049 16 0 "[ . 1 . 2]" 1
242 1 24 ALA H 1 25 ASP H 4.190 . 4.190 2.312 2.119 2.613 . 0 0 "[ . 1 . 2]" 1
243 1 24 ALA H 1 25 ASP HA 5.700 . 5.700 4.902 4.784 5.068 . 0 0 "[ . 1 . 2]" 1
244 1 24 ALA H 1 25 ASP QB 5.700 . 5.700 4.521 4.089 4.956 . 0 0 "[ . 1 . 2]" 1
245 1 24 ALA HA 1 25 ASP QB 5.370 . 5.370 5.030 4.712 5.485 0.115 9 0 "[ . 1 . 2]" 1
246 1 24 ALA MB 1 25 ASP HA 5.490 . 5.490 4.027 3.778 4.303 . 0 0 "[ . 1 . 2]" 1
247 1 24 ALA MB 1 25 ASP QB 4.950 . 4.950 3.456 3.159 4.262 . 0 0 "[ . 1 . 2]" 1
248 1 25 ASP H 1 29 ALA MB 5.240 . 5.240 4.486 4.223 4.769 . 0 0 "[ . 1 . 2]" 1
249 1 25 ASP HA 1 28 LYS H 5.700 . 5.700 5.169 4.214 5.744 0.044 4 0 "[ . 1 . 2]" 1
250 1 26 PRO HA 1 28 LYS H 5.420 . 5.420 4.288 3.465 4.724 . 0 0 "[ . 1 . 2]" 1
251 1 26 PRO HA 1 29 ALA H 4.760 . 4.760 3.522 3.165 3.903 . 0 0 "[ . 1 . 2]" 1
252 1 26 PRO HA 1 29 ALA MB 4.400 . 4.400 2.270 1.926 2.962 . 0 0 "[ . 1 . 2]" 1
253 1 26 PRO QB 1 29 ALA H 5.700 . 5.700 4.706 4.099 5.118 . 0 0 "[ . 1 . 2]" 1
254 1 26 PRO QB 1 29 ALA MB 5.620 . 5.620 3.411 2.784 4.076 . 0 0 "[ . 1 . 2]" 1
255 1 27 SER H 1 28 LYS H 5.700 . 5.700 2.455 2.122 2.677 . 0 0 "[ . 1 . 2]" 1
256 1 27 SER H 1 28 LYS HA 4.830 . 4.830 3.823 3.320 4.350 . 0 0 "[ . 1 . 2]" 1
257 1 27 SER H 1 29 ALA H 4.710 . 4.710 3.653 3.281 4.081 . 0 0 "[ . 1 . 2]" 1
258 1 27 SER HA 1 29 ALA MB 5.700 . 5.700 4.029 3.814 4.200 . 0 0 "[ . 1 . 2]" 1
259 1 27 SER HA 1 29 ALA H 4.990 . 4.990 3.785 3.511 3.912 . 0 0 "[ . 1 . 2]" 1
260 1 27 SER HA 1 29 ALA MB 5.700 . 5.700 4.369 4.081 4.636 . 0 0 "[ . 1 . 2]" 1
261 1 27 SER QB 1 28 LYS HA 5.030 . 5.030 4.018 3.735 4.271 . 0 0 "[ . 1 . 2]" 1
262 1 28 LYS H 1 29 ALA HA 5.160 . 5.160 4.678 4.507 4.988 . 0 0 "[ . 1 . 2]" 1
263 1 28 LYS H 1 30 ASP H 5.070 . 5.070 4.779 4.555 5.072 0.002 4 0 "[ . 1 . 2]" 1
264 1 28 LYS H 1 31 ASP H 4.800 . 4.800 4.683 4.522 4.835 0.035 7 0 "[ . 1 . 2]" 1
265 1 28 LYS HA 1 30 ASP QB 5.600 . 5.600 4.876 4.254 5.630 0.030 18 0 "[ . 1 . 2]" 1
266 1 28 LYS QB 1 28 LYS QD 2.880 . 2.880 2.495 2.154 2.896 0.016 16 0 "[ . 1 . 2]" 1
267 1 28 LYS QB 1 29 ALA H 5.430 . 5.430 3.741 3.082 3.935 . 0 0 "[ . 1 . 2]" 1
268 1 28 LYS QD 1 29 ALA HA 4.250 . 4.250 3.182 2.415 4.336 0.086 14 0 "[ . 1 . 2]" 1
269 1 28 LYS QD 1 29 ALA MB 4.660 . 4.660 3.963 3.320 4.795 0.135 20 0 "[ . 1 . 2]" 1
270 1 28 LYS QD 1 32 VAL HB 5.620 . 5.620 4.393 3.898 5.031 . 0 0 "[ . 1 . 2]" 1
271 1 28 LYS QD 1 32 VAL QG 5.700 . 5.700 2.565 2.052 3.559 . 0 0 "[ . 1 . 2]" 1
272 1 28 LYS QG 1 29 ALA H 5.700 . 5.700 3.666 2.756 4.763 . 0 0 "[ . 1 . 2]" 1
273 1 29 ALA H 1 29 ALA MB 3.550 . 3.550 2.211 2.145 2.251 . 0 0 "[ . 1 . 2]" 1
274 1 29 ALA H 1 31 ASP H 5.700 . 5.700 4.746 4.490 5.159 . 0 0 "[ . 1 . 2]" 1
275 1 29 ALA HA 1 32 VAL H 4.340 . 4.340 3.591 3.302 3.825 . 0 0 "[ . 1 . 2]" 1
276 1 29 ALA HA 1 32 VAL QG 5.230 . 5.230 2.995 2.368 3.303 . 0 0 "[ . 1 . 2]" 1
277 1 29 ALA HA 1 33 TYR H 4.720 . 4.720 4.286 3.941 4.668 . 0 0 "[ . 1 . 2]" 1
278 1 29 ALA HA 1 33 TYR QR 5.330 . 5.330 3.824 3.214 4.326 . 0 0 "[ . 1 . 2]" 1
279 1 29 ALA MB 1 30 ASP H 3.980 . 3.980 2.649 2.260 3.019 . 0 0 "[ . 1 . 2]" 1
280 1 29 ALA MB 1 30 ASP HA 5.700 . 5.700 3.780 3.654 3.947 . 0 0 "[ . 1 . 2]" 1
281 1 29 ALA MB 1 30 ASP QB . . 5.430 4.053 3.735 4.452 . 0 0 "[ . 1 . 2]" 1
282 1 29 ALA MB 1 31 ASP H 5.700 . 5.700 4.748 4.580 5.022 . 0 0 "[ . 1 . 2]" 1
283 1 29 ALA MB 1 32 VAL H 5.150 . 5.150 4.575 4.468 4.781 . 0 0 "[ . 1 . 2]" 1
284 1 29 ALA MB 1 33 TYR QE 4.170 . 4.170 2.708 1.953 3.056 . 0 0 "[ . 1 . 2]" 1
285 1 30 ASP H 1 30 ASP QB 3.780 . 3.780 2.381 2.269 2.516 . 0 0 "[ . 1 . 2]" 1
286 1 30 ASP H 1 31 ASP H 4.460 . 4.460 2.822 2.644 3.116 . 0 0 "[ . 1 . 2]" 1
287 1 30 ASP H 1 32 VAL H 5.700 . 5.700 4.128 3.803 4.347 . 0 0 "[ . 1 . 2]" 1
288 1 30 ASP H 1 33 TYR H 5.700 . 5.700 4.723 4.559 4.979 . 0 0 "[ . 1 . 2]" 1
289 1 30 ASP H 1 33 TYR QD 5.700 . 5.700 4.770 4.008 5.487 . 0 0 "[ . 1 . 2]" 1
290 1 30 ASP HA 1 32 VAL H 5.050 . 5.050 4.189 3.896 4.487 . 0 0 "[ . 1 . 2]" 1
291 1 30 ASP HA 1 33 TYR H 4.430 . 4.430 3.361 2.868 3.711 . 0 0 "[ . 1 . 2]" 1
292 1 30 ASP HA 1 33 TYR QB . . 4.040 2.783 2.152 3.652 . 0 0 "[ . 1 . 2]" 1
293 1 30 ASP HA 1 33 TYR QB 4.800 . 4.800 2.741 2.150 3.454 . 0 0 "[ . 1 . 2]" 1
294 1 30 ASP HA 1 33 TYR QD 3.920 . 3.920 2.865 2.003 3.974 0.054 5 0 "[ . 1 . 2]" 1
295 1 30 ASP QB 1 31 ASP H 4.540 . 4.540 2.695 2.200 3.268 . 0 0 "[ . 1 . 2]" 1
296 1 31 ASP H 1 31 ASP QB 3.430 . 3.430 2.352 2.147 2.710 . 0 0 "[ . 1 . 2]" 1
297 1 31 ASP H 1 32 VAL H 3.930 . 3.930 2.724 2.543 2.997 . 0 0 "[ . 1 . 2]" 1
298 1 31 ASP H 1 33 TYR H 5.500 . 5.500 4.159 3.887 4.344 . 0 0 "[ . 1 . 2]" 1
299 1 31 ASP HA 1 34 GLN H 5.060 . 5.060 3.649 3.087 4.052 . 0 0 "[ . 1 . 2]" 1
300 1 31 ASP HA 1 34 GLN QB . . 3.890 3.225 2.164 4.014 0.124 16 0 "[ . 1 . 2]" 1
301 1 31 ASP HA 1 34 GLN QG 5.020 . 5.020 3.692 2.008 5.074 0.054 15 0 "[ . 1 . 2]" 1
302 1 31 ASP HA 1 35 LYS H 5.090 . 5.090 4.139 3.780 4.406 . 0 0 "[ . 1 . 2]" 1
303 1 31 ASP QB 1 32 VAL H . . 4.130 2.848 2.432 3.705 . 0 0 "[ . 1 . 2]" 1
304 1 31 ASP QB 1 32 VAL HA 5.050 . 5.050 4.248 3.791 4.612 . 0 0 "[ . 1 . 2]" 1
305 1 31 ASP QB 1 32 VAL QG . . 4.650 3.174 2.738 4.062 . 0 0 "[ . 1 . 2]" 1
306 1 31 ASP QB 1 34 GLN QE 5.700 . 5.700 4.257 3.009 5.774 0.074 18 0 "[ . 1 . 2]" 1
307 1 32 VAL H 1 32 VAL HB 3.390 . 3.390 2.589 2.478 2.680 . 0 0 "[ . 1 . 2]" 1
308 1 32 VAL H 1 32 VAL QG 3.510 . 3.510 2.108 1.949 2.391 . 0 0 "[ . 1 . 2]" 1
309 1 32 VAL H 1 33 TYR H 3.990 . 3.990 2.457 2.316 2.649 . 0 0 "[ . 1 . 2]" 1
310 1 32 VAL H 1 33 TYR QE 5.700 . 5.700 5.719 5.443 5.779 0.079 1 0 "[ . 1 . 2]" 1
311 1 32 VAL HA 1 32 VAL QG 3.260 . 3.260 2.131 2.108 2.161 . 0 0 "[ . 1 . 2]" 1
312 1 32 VAL HA 1 34 GLN H 5.270 . 5.270 4.363 4.074 4.589 . 0 0 "[ . 1 . 2]" 1
313 1 32 VAL HA 1 35 LYS H 4.220 . 4.220 3.227 2.900 3.524 . 0 0 "[ . 1 . 2]" 1
314 1 32 VAL HA 1 35 LYS QB 3.760 . 3.760 2.591 1.890 3.827 0.067 9 0 "[ . 1 . 2]" 1
315 1 32 VAL HA 1 35 LYS QD 4.220 . 4.220 3.948 2.914 4.419 0.199 12 0 "[ . 1 . 2]" 1
316 1 32 VAL HA 1 36 TRP H 5.250 . 5.250 3.980 3.684 4.521 . 0 0 "[ . 1 . 2]" 1
317 1 32 VAL HB 1 33 TYR H 3.910 . 3.910 2.804 2.546 2.964 . 0 0 "[ . 1 . 2]" 1
318 1 32 VAL QG 1 33 TYR H . . 4.670 3.344 3.189 3.433 . 0 0 "[ . 1 . 2]" 1
319 1 32 VAL QG 1 33 TYR HA 5.000 . 5.000 3.702 3.372 3.848 . 0 0 "[ . 1 . 2]" 1
320 1 32 VAL QG 1 34 GLN H 5.700 . 5.700 4.689 4.508 4.850 . 0 0 "[ . 1 . 2]" 1
321 1 32 VAL QG 1 35 LYS H 5.700 . 5.700 4.236 3.933 4.482 . 0 0 "[ . 1 . 2]" 1
322 1 32 VAL QG 1 35 LYS H 4.330 . 4.330 2.963 2.662 3.888 . 0 0 "[ . 1 . 2]" 1
323 1 32 VAL QG 1 35 LYS QE 5.360 . 5.360 4.152 1.864 5.397 0.037 17 0 "[ . 1 . 2]" 1
324 1 32 VAL QG 1 35 LYS QE 4.930 . 4.930 3.275 1.861 3.890 . 0 0 "[ . 1 . 2]" 1
325 1 32 VAL QG 1 36 TRP HE1 4.650 . 4.650 3.047 2.560 3.376 . 0 0 "[ . 1 . 2]" 1
326 1 33 TYR H 1 33 TYR QD 4.620 . 4.620 2.771 1.953 3.211 . 0 0 "[ . 1 . 2]" 1
327 1 33 TYR H 1 34 GLN H 4.350 . 4.350 2.615 2.470 2.778 . 0 0 "[ . 1 . 2]" 1
328 1 33 TYR H 1 34 GLN QE 5.700 . 5.700 5.004 3.562 5.736 0.036 16 0 "[ . 1 . 2]" 1
329 1 33 TYR H 1 36 TRP H 4.990 . 4.990 4.623 4.514 4.826 . 0 0 "[ . 1 . 2]" 1
330 1 33 TYR HA 1 33 TYR QD 3.230 . 3.230 2.320 2.038 3.116 . 0 0 "[ . 1 . 2]" 1
331 1 33 TYR HA 1 36 TRP QB 4.460 . 4.460 2.775 2.455 2.981 . 0 0 "[ . 1 . 2]" 1
332 1 33 TYR HA 1 36 TRP H 4.700 . 4.700 3.467 3.243 3.745 . 0 0 "[ . 1 . 2]" 1
333 1 33 TYR HA 1 36 TRP QB 4.760 . 4.760 2.788 2.459 2.994 . 0 0 "[ . 1 . 2]" 1
334 1 33 TYR HA 1 37 ALA H 5.370 . 5.370 4.316 3.792 5.001 . 0 0 "[ . 1 . 2]" 1
335 1 33 TYR HA 1 65 TYR QD 4.120 . 4.120 2.926 2.470 4.087 . 0 0 "[ . 1 . 2]" 1
336 1 33 TYR HA 1 65 TYR QE 4.410 . 4.410 2.635 1.890 3.926 . 0 0 "[ . 1 . 2]" 1
337 1 33 TYR QB 1 34 GLN H . . 4.440 2.465 2.268 2.822 . 0 0 "[ . 1 . 2]" 1
338 1 33 TYR QB 1 34 GLN H 3.650 . 3.650 2.106 1.982 2.341 . 0 0 "[ . 1 . 2]" 1
339 1 33 TYR QB 1 37 ALA MB 4.670 . 4.670 3.727 3.184 4.234 . 0 0 "[ . 1 . 2]" 1
340 1 33 TYR QB 1 65 TYR HA 5.520 . 5.520 4.357 3.615 5.398 . 0 0 "[ . 1 . 2]" 1
341 1 33 TYR QB 1 65 TYR QD 3.910 . 3.910 3.400 2.633 4.013 0.103 7 0 "[ . 1 . 2]" 1
342 1 33 TYR QB 1 65 TYR QE 4.320 . 4.320 3.035 2.434 4.105 . 0 0 "[ . 1 . 2]" 1
343 1 33 TYR QB 1 68 TYR QB 5.220 . 5.220 2.679 1.724 4.582 . 0 0 "[ . 1 . 2]" 1
344 1 33 TYR QR 1 65 TYR HA 4.260 . 4.260 2.714 2.210 3.177 . 0 0 "[ . 1 . 2]" 1
345 1 33 TYR QR 1 65 TYR QB . . 4.110 3.211 2.694 4.146 0.036 16 0 "[ . 1 . 2]" 1
346 1 33 TYR QR 1 68 TYR QB 4.830 . 4.830 3.159 2.443 3.782 . 0 0 "[ . 1 . 2]" 1
347 1 33 TYR QD 1 36 TRP H 5.700 . 5.700 5.331 5.063 5.762 0.062 7 0 "[ . 1 . 2]" 1
348 1 33 TYR QD 1 36 TRP QB 3.940 . 3.940 2.855 2.068 3.698 . 0 0 "[ . 1 . 2]" 1
349 1 33 TYR QD 1 68 TYR QB 4.400 . 4.400 3.238 2.463 4.028 . 0 0 "[ . 1 . 2]" 1
350 1 33 TYR QE 1 64 GLY H 5.700 . 5.700 5.414 4.625 5.792 0.092 18 0 "[ . 1 . 2]" 1
351 1 33 TYR QE 1 64 GLY QA 4.460 . 4.460 3.705 2.485 4.240 . 0 0 "[ . 1 . 2]" 1
352 1 33 TYR QE 1 65 TYR H 4.830 . 4.830 3.926 3.305 4.596 . 0 0 "[ . 1 . 2]" 1
353 1 33 TYR QE 1 67 THR H 5.700 . 5.700 5.053 4.222 5.686 . 0 0 "[ . 1 . 2]" 1
354 1 33 TYR QE 1 68 TYR H 5.700 . 5.700 5.011 4.395 5.514 . 0 0 "[ . 1 . 2]" 1
355 1 33 TYR QE 1 68 TYR QB 4.580 . 4.580 4.483 3.716 4.673 0.093 19 0 "[ . 1 . 2]" 1
356 1 34 GLN H 1 34 GLN QB 3.650 . 3.650 2.312 2.134 2.644 . 0 0 "[ . 1 . 2]" 1
357 1 34 GLN H 1 34 GLN QG 4.480 . 4.480 3.321 2.108 4.071 . 0 0 "[ . 1 . 2]" 1
358 1 34 GLN H 1 35 LYS H 4.220 . 4.220 2.582 2.322 2.840 . 0 0 "[ . 1 . 2]" 1
359 1 34 GLN H 1 36 TRP H 5.700 . 5.700 3.976 3.575 4.179 . 0 0 "[ . 1 . 2]" 1
360 1 34 GLN H 1 36 TRP QB 5.060 . 5.060 5.033 4.763 5.136 0.076 7 0 "[ . 1 . 2]" 1
361 1 34 GLN H 1 37 ALA H 5.700 . 5.700 4.287 4.117 4.489 . 0 0 "[ . 1 . 2]" 1
362 1 34 GLN HA 1 34 GLN QE 4.960 . 4.960 3.945 2.285 4.995 0.035 3 0 "[ . 1 . 2]" 1
363 1 34 GLN HA 1 34 GLN QG 3.650 . 3.650 2.803 2.214 3.461 . 0 0 "[ . 1 . 2]" 1
364 1 34 GLN HA 1 36 TRP H 4.540 . 4.540 4.147 3.637 4.604 0.064 16 0 "[ . 1 . 2]" 1
365 1 34 GLN HA 1 37 ALA H 4.110 . 4.110 3.332 2.759 3.724 . 0 0 "[ . 1 . 2]" 1
366 1 34 GLN HA 1 37 ALA MB 3.810 . 3.810 2.620 2.056 3.234 . 0 0 "[ . 1 . 2]" 1
367 1 34 GLN QB 1 35 LYS H . . 4.040 2.991 2.117 3.735 . 0 0 "[ . 1 . 2]" 1
368 1 34 GLN QE 1 35 LYS QB 5.700 . 5.700 3.299 2.028 5.735 0.035 1 0 "[ . 1 . 2]" 1
369 1 34 GLN QE 1 35 LYS QB 5.210 . 5.210 2.804 2.001 4.374 . 0 0 "[ . 1 . 2]" 1
370 1 34 GLN QE 1 36 TRP H 4.950 . 4.950 4.934 4.378 5.138 0.188 6 0 "[ . 1 . 2]" 1
371 1 34 GLN QG 1 35 LYS H 4.770 . 4.770 3.584 2.058 4.646 . 0 0 "[ . 1 . 2]" 1
372 1 34 GLN QG 1 37 ALA MB 5.370 . 5.370 4.171 3.128 4.962 . 0 0 "[ . 1 . 2]" 1
373 1 34 GLN QG 1 38 ASP H 5.250 . 5.250 5.192 4.332 5.449 0.199 7 0 "[ . 1 . 2]" 1
374 1 35 LYS H 1 35 LYS QB 3.710 . 3.710 2.285 2.141 2.592 . 0 0 "[ . 1 . 2]" 1
375 1 35 LYS H 1 36 TRP H 4.190 . 4.190 2.534 2.301 2.717 . 0 0 "[ . 1 . 2]" 1
376 1 35 LYS HA 1 37 ALA H 4.990 . 4.990 4.188 3.684 4.798 . 0 0 "[ . 1 . 2]" 1
377 1 35 LYS HA 1 38 ASP H 4.290 . 4.290 3.141 2.820 3.796 . 0 0 "[ . 1 . 2]" 1
378 1 35 LYS HA 1 38 ASP QB 3.540 . 3.540 2.699 1.838 3.590 0.050 12 0 "[ . 1 . 2]" 1
379 1 35 LYS QB 1 36 TRP H 4.420 . 4.420 2.950 2.375 3.779 . 0 0 "[ . 1 . 2]" 1
380 1 35 LYS QB 1 37 ALA H 5.700 . 5.700 4.781 4.230 5.232 . 0 0 "[ . 1 . 2]" 1
381 1 35 LYS QD 1 36 TRP QB 5.540 . 5.540 3.810 3.077 4.325 . 0 0 "[ . 1 . 2]" 1
382 1 35 LYS QD 1 37 ALA H 5.700 . 5.700 5.441 4.807 5.891 0.191 8 0 "[ . 1 . 2]" 1
383 1 35 LYS QD 1 39 LYS H 5.340 . 5.340 4.721 3.918 5.398 0.058 15 0 "[ . 1 . 2]" 1
384 1 35 LYS QD 1 39 LYS QG 2.960 . 2.960 2.995 2.594 3.117 0.157 18 0 "[ . 1 . 2]" 1
385 1 36 TRP H 1 37 ALA H 4.350 . 4.350 2.477 2.300 2.779 . 0 0 "[ . 1 . 2]" 1
386 1 36 TRP H 1 37 ALA MB 5.610 . 5.610 4.180 3.990 4.440 . 0 0 "[ . 1 . 2]" 1
387 1 36 TRP H 1 38 ASP H 4.530 . 4.530 3.897 3.567 4.118 . 0 0 "[ . 1 . 2]" 1
388 1 36 TRP HA 1 36 TRP HD1 3.420 . 3.420 2.339 2.040 3.616 0.196 17 0 "[ . 1 . 2]" 1
389 1 36 TRP HA 1 38 ASP H 4.110 . 4.110 4.126 3.640 4.220 0.110 13 0 "[ . 1 . 2]" 1
390 1 36 TRP HA 1 39 LYS H 4.480 . 4.480 3.279 2.929 3.713 . 0 0 "[ . 1 . 2]" 1
391 1 36 TRP HA 1 39 LYS QB 4.500 . 4.500 2.892 2.174 3.924 . 0 0 "[ . 1 . 2]" 1
392 1 36 TRP HA 1 39 LYS QB 3.760 . 3.760 2.662 2.076 3.740 . 0 0 "[ . 1 . 2]" 1
393 1 36 TRP HA 1 39 LYS QG 4.680 . 4.680 3.328 2.114 4.711 0.031 5 0 "[ . 1 . 2]" 1
394 1 36 TRP HA 1 40 GLY H 4.760 . 4.760 4.724 4.525 4.808 0.048 4 0 "[ . 1 . 2]" 1
395 1 36 TRP HA 1 41 TYR H 4.840 . 4.840 3.962 3.618 4.559 . 0 0 "[ . 1 . 2]" 1
396 1 36 TRP HA 1 41 TYR QD 4.190 . 4.190 2.448 1.852 3.236 . 0 0 "[ . 1 . 2]" 1
397 1 36 TRP HA 1 41 TYR QE 4.200 . 4.200 3.727 2.259 4.228 0.028 8 0 "[ . 1 . 2]" 1
398 1 36 TRP QB 1 37 ALA H 4.210 . 4.210 2.834 2.559 3.089 . 0 0 "[ . 1 . 2]" 1
399 1 36 TRP QB 1 37 ALA HA 5.190 . 5.190 3.927 3.776 4.101 . 0 0 "[ . 1 . 2]" 1
400 1 36 TRP QB 1 37 ALA MB 4.250 . 4.250 3.525 3.404 3.818 . 0 0 "[ . 1 . 2]" 1
401 1 36 TRP QB 1 41 TYR QB 4.510 . 4.510 2.406 1.931 4.491 . 0 0 "[ . 1 . 2]" 1
402 1 36 TRP QB 1 41 TYR QD 4.160 . 4.160 2.936 2.072 4.076 . 0 0 "[ . 1 . 2]" 1
403 1 36 TRP QB 1 65 TYR QE 4.520 . 4.520 2.513 2.112 3.543 . 0 0 "[ . 1 . 2]" 1
404 1 36 TRP QB 1 65 TYR QE 4.340 . 4.340 2.485 2.110 3.438 . 0 0 "[ . 1 . 2]" 1
405 1 36 TRP HZ2 1 46 LEU QD 5.700 . 5.700 2.881 1.948 4.915 . 0 0 "[ . 1 . 2]" 1
406 1 36 TRP HZ2 1 46 LEU QD 3.930 . 3.930 2.224 1.740 2.696 . 0 0 "[ . 1 . 2]" 1
407 1 37 ALA H 1 37 ALA MB 3.440 . 3.440 2.260 2.213 2.334 . 0 0 "[ . 1 . 2]" 1
408 1 37 ALA H 1 38 ASP H 4.130 . 4.130 2.580 2.227 2.702 . 0 0 "[ . 1 . 2]" 1
409 1 37 ALA H 1 39 LYS H 5.700 . 5.700 3.992 3.674 4.477 . 0 0 "[ . 1 . 2]" 1
410 1 37 ALA H 1 41 TYR QD 5.700 . 5.700 5.213 4.601 5.771 0.071 17 0 "[ . 1 . 2]" 1
411 1 37 ALA H 1 68 TYR QD 4.800 . 4.800 4.686 3.947 4.884 0.084 10 0 "[ . 1 . 2]" 1
412 1 37 ALA HA 1 40 GLY QA 4.730 . 4.730 3.711 2.896 4.215 . 0 0 "[ . 1 . 2]" 1
413 1 37 ALA HA 1 40 GLY H 4.790 . 4.790 3.450 3.035 4.042 . 0 0 "[ . 1 . 2]" 1
414 1 37 ALA HA 1 41 TYR H 5.240 . 5.240 3.592 2.826 4.314 . 0 0 "[ . 1 . 2]" 1
415 1 37 ALA HA 1 65 TYR QE 4.860 . 4.860 4.220 3.656 4.897 0.037 17 0 "[ . 1 . 2]" 1
416 1 37 ALA MB 1 38 ASP H 3.870 . 3.870 2.632 2.451 2.980 . 0 0 "[ . 1 . 2]" 1
417 1 37 ALA MB 1 38 ASP QB 5.700 . 5.700 3.900 3.723 4.306 . 0 0 "[ . 1 . 2]" 1
418 1 37 ALA MB 1 68 TYR QD 4.130 . 4.130 2.766 2.200 3.601 . 0 0 "[ . 1 . 2]" 1
419 1 37 ALA MB 1 68 TYR QE 4.110 . 4.110 2.837 2.060 4.137 0.027 18 0 "[ . 1 . 2]" 1
420 1 38 ASP H 1 38 ASP QB 3.320 . 3.320 2.281 2.016 2.613 . 0 0 "[ . 1 . 2]" 1
421 1 38 ASP H 1 39 LYS H 4.180 . 4.180 2.595 2.359 3.013 . 0 0 "[ . 1 . 2]" 1
422 1 38 ASP H 1 39 LYS QG 5.700 . 5.700 4.270 3.865 4.957 . 0 0 "[ . 1 . 2]" 1
423 1 38 ASP H 1 40 GLY H 5.700 . 5.700 3.918 3.677 4.039 . 0 0 "[ . 1 . 2]" 1
424 1 38 ASP HA 1 40 GLY H 5.150 . 5.150 3.706 3.386 4.133 . 0 0 "[ . 1 . 2]" 1
425 1 38 ASP QB 1 39 LYS H . . 4.070 3.332 2.562 3.812 . 0 0 "[ . 1 . 2]" 1
426 1 38 ASP QB 1 39 LYS HA 5.100 . 5.100 3.072 1.791 3.925 . 0 0 "[ . 1 . 2]" 1
427 1 38 ASP QB 1 40 GLY H 5.700 . 5.700 4.174 4.054 4.302 . 0 0 "[ . 1 . 2]" 1
428 1 39 LYS H 1 39 LYS QB 3.550 . 3.550 2.469 2.254 2.726 . 0 0 "[ . 1 . 2]" 1
429 1 39 LYS H 1 39 LYS QG 3.540 . 3.540 2.511 2.133 2.835 . 0 0 "[ . 1 . 2]" 1
430 1 39 LYS H 1 40 GLY H 4.150 . 4.150 2.377 2.193 2.724 . 0 0 "[ . 1 . 2]" 1
431 1 39 LYS H 1 41 TYR H 4.580 . 4.580 3.600 3.282 3.998 . 0 0 "[ . 1 . 2]" 1
432 1 39 LYS HA 1 39 LYS QG 3.750 . 3.750 2.878 2.605 3.320 . 0 0 "[ . 1 . 2]" 1
433 1 39 LYS QB 1 41 TYR QB 4.790 . 4.790 2.903 2.027 3.395 . 0 0 "[ . 1 . 2]" 1
434 1 39 LYS QB 1 40 GLY H 5.190 . 5.190 3.337 3.105 3.539 . 0 0 "[ . 1 . 2]" 1
435 1 39 LYS QB 1 41 TYR QE 5.180 . 5.180 2.585 2.007 3.169 . 0 0 "[ . 1 . 2]" 1
436 1 39 LYS QG 1 40 GLY H 4.870 . 4.870 4.352 4.053 4.503 . 0 0 "[ . 1 . 2]" 1
437 1 39 LYS QG 1 41 TYR H 4.740 . 4.740 4.800 4.032 4.932 0.192 1 0 "[ . 1 . 2]" 1
438 1 39 LYS QG 1 41 TYR QE 5.130 . 5.130 2.911 2.376 3.282 . 0 0 "[ . 1 . 2]" 1
439 1 40 GLY H 1 41 TYR H 4.110 . 4.110 2.526 2.304 2.762 . 0 0 "[ . 1 . 2]" 1
440 1 41 TYR HA 1 41 TYR QD 3.260 . 3.260 2.434 2.006 3.043 . 0 0 "[ . 1 . 2]" 1
441 1 41 TYR HA 1 41 TYR QE 4.620 . 4.620 4.502 4.276 4.702 0.082 5 0 "[ . 1 . 2]" 1
442 1 41 TYR HA 1 42 THR H 3.110 . 3.110 2.111 2.029 2.354 . 0 0 "[ . 1 . 2]" 1
443 1 41 TYR HA 1 45 GLN QB 4.520 . 4.520 3.547 2.959 4.161 . 0 0 "[ . 1 . 2]" 1
444 1 41 TYR HA 1 45 GLN QG 4.860 . 4.860 4.508 3.427 4.881 0.021 18 0 "[ . 1 . 2]" 1
445 1 41 TYR QB 1 42 THR H 4.600 . 4.600 3.229 2.576 3.427 . 0 0 "[ . 1 . 2]" 1
446 1 41 TYR QB 1 45 GLN QB 5.570 . 5.570 3.754 2.653 4.566 . 0 0 "[ . 1 . 2]" 1
447 1 41 TYR QB 1 45 GLN QB 4.350 . 4.350 3.066 2.046 3.785 . 0 0 "[ . 1 . 2]" 1
448 1 41 TYR QB 1 46 LEU H 5.610 . 5.610 4.178 3.248 4.896 . 0 0 "[ . 1 . 2]" 1
449 1 41 TYR QB 1 46 LEU QB 5.200 . 5.200 3.353 2.051 4.123 . 0 0 "[ . 1 . 2]" 1
450 1 41 TYR QB 1 46 LEU QD 4.110 . 4.110 2.447 1.903 2.880 . 0 0 "[ . 1 . 2]" 1
451 1 41 TYR QB 1 46 LEU HG 5.170 . 5.170 4.391 3.426 5.071 . 0 0 "[ . 1 . 2]" 1
452 1 41 TYR QB 1 47 SER H 5.700 . 5.700 4.999 4.700 5.335 . 0 0 "[ . 1 . 2]" 1
453 1 41 TYR QD 1 45 GLN QG 5.650 . 5.650 4.748 2.750 5.698 0.048 6 0 "[ . 1 . 2]" 1
454 1 41 TYR QD 1 46 LEU QD 4.650 . 4.650 3.951 2.256 4.744 0.094 17 0 "[ . 1 . 2]" 1
455 1 42 THR H 1 45 GLN QB 4.270 . 4.270 2.775 2.250 4.255 . 0 0 "[ . 1 . 2]" 1
456 1 42 THR H 1 45 GLN QG 5.270 . 5.270 3.571 3.101 4.674 . 0 0 "[ . 1 . 2]" 1
457 1 42 THR HB 1 45 GLN H 5.370 . 5.370 3.884 2.924 5.325 . 0 0 "[ . 1 . 2]" 1
458 1 42 THR HB 1 45 GLN QG 5.050 . 5.050 3.932 2.291 5.136 0.086 9 0 "[ . 1 . 2]" 1
459 1 43 LEU QD 1 44 THR HB 5.130 . 5.130 4.437 3.586 5.176 0.046 7 0 "[ . 1 . 2]" 1
460 1 43 LEU QD 1 44 THR MG 4.720 . 4.720 4.442 3.634 4.791 0.071 17 0 "[ . 1 . 2]" 1
461 1 43 LEU QD 1 46 LEU QB 5.700 . 5.700 3.169 2.338 4.319 . 0 0 "[ . 1 . 2]" 1
462 1 43 LEU QD 1 46 LEU QB 5.190 . 5.190 3.111 2.266 4.237 . 0 0 "[ . 1 . 2]" 1
463 1 43 LEU QD 1 46 LEU QD 5.510 . 5.510 3.005 2.004 4.465 . 0 0 "[ . 1 . 2]" 1
464 1 43 LEU QD 1 62 TYR QE . . 3.990 2.886 2.323 3.763 . 0 0 "[ . 1 . 2]" 1
465 1 43 LEU QD 1 65 TYR H 5.080 . 5.080 3.291 2.889 3.745 . 0 0 "[ . 1 . 2]" 1
466 1 43 LEU QD 1 65 TYR QB 5.390 . 5.390 3.276 2.127 4.115 . 0 0 "[ . 1 . 2]" 1
467 1 43 LEU QD 1 65 TYR QB 5.700 . 5.700 2.610 1.981 3.067 . 0 0 "[ . 1 . 2]" 1
468 1 43 LEU QD 1 65 TYR QD 4.610 . 4.610 2.709 1.978 4.647 0.037 17 0 "[ . 1 . 2]" 1
469 1 43 LEU QD 1 66 MET H 5.340 . 5.340 3.356 2.927 3.797 . 0 0 "[ . 1 . 2]" 1
470 1 43 LEU QD 1 66 MET HA . . 3.810 2.149 1.844 2.648 . 0 0 "[ . 1 . 2]" 1
471 1 43 LEU QD 1 66 MET QB 4.820 . 4.820 2.620 1.956 3.526 . 0 0 "[ . 1 . 2]" 1
472 1 43 LEU QD 1 66 MET QG . . 4.180 2.430 1.773 3.511 . 0 0 "[ . 1 . 2]" 1
473 1 43 LEU QD 1 69 ARG QD 5.480 . 5.480 3.119 1.990 4.510 . 0 0 "[ . 1 . 2]" 1
474 1 43 LEU QD 1 69 ARG QG 4.240 . 4.240 2.767 1.965 4.282 0.042 16 0 "[ . 1 . 2]" 1
475 1 44 THR HB 1 45 GLN H 4.630 . 4.630 4.154 3.861 4.382 . 0 0 "[ . 1 . 2]" 1
476 1 44 THR MG 1 45 GLN HA 4.750 . 4.750 3.670 3.409 4.090 . 0 0 "[ . 1 . 2]" 1
477 1 44 THR MG 1 45 GLN QB 3.660 . 3.660 3.637 3.353 3.760 0.100 4 0 "[ . 1 . 2]" 1
478 1 44 THR MG 1 45 GLN QG . . 4.720 2.610 2.017 4.754 0.034 15 0 "[ . 1 . 2]" 1
479 1 44 THR MG 1 69 ARG QD 5.480 . 5.480 5.485 5.165 5.621 0.141 20 0 "[ . 1 . 2]" 1
480 1 45 GLN H 1 45 GLN QG 5.120 . 5.120 2.655 2.020 3.993 . 0 0 "[ . 1 . 2]" 1
481 1 45 GLN H 1 46 LEU H 5.540 . 5.540 2.326 2.170 2.697 . 0 0 "[ . 1 . 2]" 1
482 1 45 GLN HA 1 45 GLN QG . . 3.660 2.697 2.398 3.120 . 0 0 "[ . 1 . 2]" 1
483 1 45 GLN HA 1 47 SER HA 4.640 . 4.640 4.228 3.781 4.463 . 0 0 "[ . 1 . 2]" 1
484 1 45 GLN HA 1 47 SER QB 4.550 . 4.550 4.303 3.826 4.565 0.015 17 0 "[ . 1 . 2]" 1
485 1 45 GLN HA 1 48 ASP H 4.520 . 4.520 3.476 3.185 3.751 . 0 0 "[ . 1 . 2]" 1
486 1 45 GLN HA 1 48 ASP QB 4.010 . 4.010 3.525 2.587 4.028 0.018 9 0 "[ . 1 . 2]" 1
487 1 45 GLN HA 1 49 PHE H 5.030 . 5.030 4.931 4.393 5.135 0.105 4 0 "[ . 1 . 2]" 1
488 1 45 GLN QB 1 46 LEU H 4.320 . 4.320 2.792 2.527 3.121 . 0 0 "[ . 1 . 2]" 1
489 1 45 GLN QB 1 46 LEU H 3.620 . 3.620 2.113 2.052 2.257 . 0 0 "[ . 1 . 2]" 1
490 1 45 GLN QB 1 49 PHE H 5.700 . 5.700 4.205 3.907 4.612 . 0 0 "[ . 1 . 2]" 1
491 1 45 GLN QB 1 48 ASP H 5.700 . 5.700 4.172 3.955 4.432 . 0 0 "[ . 1 . 2]" 1
492 1 45 GLN QB 1 49 PHE QD 5.080 . 5.080 4.084 3.341 4.867 . 0 0 "[ . 1 . 2]" 1
493 1 45 GLN QG 1 46 LEU H 5.380 . 5.380 4.015 3.802 4.522 . 0 0 "[ . 1 . 2]" 1
494 1 46 LEU H 1 46 LEU QB . . 3.420 2.112 2.036 2.221 . 0 0 "[ . 1 . 2]" 1
495 1 46 LEU H 1 46 LEU QD 4.950 . 4.950 3.356 3.141 3.504 . 0 0 "[ . 1 . 2]" 1
496 1 46 LEU H 1 46 LEU HG 4.370 . 4.370 3.959 3.705 4.267 . 0 0 "[ . 1 . 2]" 1
497 1 46 LEU H 1 48 ASP H 4.560 . 4.560 2.676 2.541 2.772 . 0 0 "[ . 1 . 2]" 1
498 1 46 LEU H 1 47 SER QB 5.700 . 5.700 4.559 4.180 4.846 . 0 0 "[ . 1 . 2]" 1
499 1 46 LEU H 1 48 ASP H 5.700 . 5.700 4.238 3.923 4.510 . 0 0 "[ . 1 . 2]" 1
500 1 46 LEU H 1 49 PHE QD 5.700 . 5.700 4.292 3.668 4.795 . 0 0 "[ . 1 . 2]" 1
501 1 46 LEU HA 1 46 LEU QD . . 3.600 2.102 1.988 2.198 . 0 0 "[ . 1 . 2]" 1
502 1 46 LEU HA 1 47 SER HA 5.180 . 5.180 4.496 4.394 4.567 . 0 0 "[ . 1 . 2]" 1
503 1 46 LEU HA 1 48 ASP H 5.240 . 5.240 3.954 3.620 4.374 . 0 0 "[ . 1 . 2]" 1
504 1 46 LEU HA 1 49 PHE H 4.310 . 4.310 3.320 2.912 3.696 . 0 0 "[ . 1 . 2]" 1
505 1 46 LEU HA 1 49 PHE QB 3.590 . 3.590 2.872 2.349 3.599 0.009 8 0 "[ . 1 . 2]" 1
506 1 46 LEU HA 1 49 PHE QD 5.100 . 5.100 1.987 1.825 2.207 . 0 0 "[ . 1 . 2]" 1
507 1 46 LEU HA 1 49 PHE QE 3.630 . 3.630 3.485 2.750 3.686 0.056 2 0 "[ . 1 . 2]" 1
508 1 46 LEU HA 1 50 LEU H 5.580 . 5.580 4.116 3.551 4.915 . 0 0 "[ . 1 . 2]" 1
509 1 46 LEU HA 1 50 LEU QD 5.610 . 5.610 3.502 3.107 4.605 . 0 0 "[ . 1 . 2]" 1
510 1 46 LEU QB 1 47 SER HA 5.260 . 5.260 3.776 3.472 4.167 . 0 0 "[ . 1 . 2]" 1
511 1 46 LEU QB 1 47 SER H 4.560 . 4.560 2.776 2.528 3.027 . 0 0 "[ . 1 . 2]" 1
512 1 46 LEU QB 1 47 SER HA 4.170 . 4.170 3.175 2.546 3.668 . 0 0 "[ . 1 . 2]" 1
513 1 46 LEU QB 1 48 ASP H 5.700 . 5.700 4.747 4.510 4.895 . 0 0 "[ . 1 . 2]" 1
514 1 46 LEU QB 1 50 LEU QD 5.700 . 5.700 3.637 3.231 4.157 . 0 0 "[ . 1 . 2]" 1
515 1 46 LEU QB 1 62 TYR QR 4.750 . 4.750 2.645 2.223 3.912 . 0 0 "[ . 1 . 2]" 1
516 1 46 LEU QB 1 62 TYR QD 4.160 . 4.160 2.955 2.286 4.208 0.048 16 0 "[ . 1 . 2]" 1
517 1 46 LEU QD 1 49 PHE QB 4.200 . 4.200 2.652 2.119 3.423 . 0 0 "[ . 1 . 2]" 1
518 1 46 LEU QD 1 49 PHE QE . . 4.550 3.931 3.034 4.527 . 0 0 "[ . 1 . 2]" 1
519 1 46 LEU QD 1 50 LEU QB 4.150 . 4.150 3.530 2.570 4.213 0.063 16 0 "[ . 1 . 2]" 1
520 1 46 LEU QD 1 50 LEU QD 4.250 . 4.250 1.915 1.722 2.271 . 0 0 "[ . 1 . 2]" 1
521 1 46 LEU QD 1 50 LEU HG 4.520 . 4.520 3.965 2.160 4.526 0.006 16 0 "[ . 1 . 2]" 1
522 1 46 LEU QD 1 61 VAL QG . . 4.510 3.086 2.542 3.919 . 0 0 "[ . 1 . 2]" 1
523 1 46 LEU QD 1 62 TYR HA 4.150 . 4.150 2.793 1.924 4.188 0.038 16 0 "[ . 1 . 2]" 1
524 1 46 LEU QD 1 62 TYR QD 4.180 . 4.180 2.365 1.973 2.869 . 0 0 "[ . 1 . 2]" 1
525 1 46 LEU QD 1 65 TYR QB . . 4.470 2.724 1.907 3.465 . 0 0 "[ . 1 . 2]" 1
526 1 46 LEU HG 1 50 LEU QD 4.440 . 4.440 2.479 1.786 4.017 . 0 0 "[ . 1 . 2]" 1
527 1 46 LEU HG 1 50 LEU HG 4.740 . 4.740 3.215 2.564 3.845 . 0 0 "[ . 1 . 2]" 1
528 1 46 LEU HG 1 62 TYR QD 4.750 . 4.750 2.976 2.149 4.137 . 0 0 "[ . 1 . 2]" 1
529 1 46 LEU HG 1 65 TYR QD 5.700 . 5.700 4.253 2.284 5.708 0.008 7 0 "[ . 1 . 2]" 1
530 1 47 SER H 1 47 SER QB 3.140 . 3.140 2.435 2.204 2.595 . 0 0 "[ . 1 . 2]" 1
531 1 47 SER H 1 48 ASP H 4.220 . 4.220 2.706 2.563 2.809 . 0 0 "[ . 1 . 2]" 1
532 1 47 SER H 1 48 ASP QB 5.700 . 5.700 4.585 4.274 4.947 . 0 0 "[ . 1 . 2]" 1
533 1 47 SER H 1 49 PHE H 5.150 . 5.150 4.185 3.798 4.453 . 0 0 "[ . 1 . 2]" 1
534 1 47 SER H 1 50 LEU H 5.700 . 5.700 4.915 4.735 5.202 . 0 0 "[ . 1 . 2]" 1
535 1 47 SER H 1 62 TYR QE 4.600 . 4.600 3.522 2.721 4.672 0.072 5 0 "[ . 1 . 2]" 1
536 1 47 SER HA 1 48 ASP HA 5.000 . 5.000 3.803 3.618 4.032 . 0 0 "[ . 1 . 2]" 1
537 1 47 SER HA 1 49 PHE H 5.700 . 5.700 4.093 3.718 4.343 . 0 0 "[ . 1 . 2]" 1
538 1 47 SER HA 1 49 PHE H 5.410 . 5.410 4.456 3.932 4.816 . 0 0 "[ . 1 . 2]" 1
539 1 47 SER HA 1 50 LEU H 4.830 . 4.830 3.807 3.462 4.360 . 0 0 "[ . 1 . 2]" 1
540 1 47 SER HA 1 50 LEU QB 4.930 . 4.930 3.345 2.570 4.174 . 0 0 "[ . 1 . 2]" 1
541 1 47 SER HA 1 50 LEU QD 5.390 . 5.390 3.915 2.605 5.001 . 0 0 "[ . 1 . 2]" 1
542 1 47 SER QB 1 48 ASP H 3.820 . 3.820 2.833 2.234 3.121 . 0 0 "[ . 1 . 2]" 1
543 1 47 SER QB 1 48 ASP QB 5.180 . 5.180 4.003 3.525 4.414 . 0 0 "[ . 1 . 2]" 1
544 1 47 SER QB 1 62 TYR QE 3.890 . 3.890 3.381 2.220 3.972 0.082 9 0 "[ . 1 . 2]" 1
545 1 48 ASP H 1 48 ASP QB 3.490 . 3.490 2.338 2.174 2.458 . 0 0 "[ . 1 . 2]" 1
546 1 48 ASP H 1 49 PHE H 4.470 . 4.470 2.372 2.220 2.666 . 0 0 "[ . 1 . 2]" 1
547 1 48 ASP H 1 51 LYS H 5.210 . 5.210 4.635 4.262 5.246 0.036 19 0 "[ . 1 . 2]" 1
548 1 48 ASP HA 1 51 LYS H 5.190 . 5.190 3.619 2.788 4.892 . 0 0 "[ . 1 . 2]" 1
549 1 48 ASP QB 1 49 PHE H . . 4.020 2.743 2.336 3.075 . 0 0 "[ . 1 . 2]" 1
550 1 49 PHE H 1 49 PHE QB 3.800 . 3.800 2.523 2.391 2.667 . 0 0 "[ . 1 . 2]" 1
551 1 49 PHE H 1 50 LEU H 4.510 . 4.510 2.615 2.411 2.857 . 0 0 "[ . 1 . 2]" 1
552 1 49 PHE H 1 50 LEU QD 5.700 . 5.700 3.966 3.618 5.127 . 0 0 "[ . 1 . 2]" 1
553 1 49 PHE HA 1 51 LYS H 4.830 . 4.830 4.380 3.536 5.030 0.200 7 0 "[ . 1 . 2]" 1
554 1 49 PHE QB 1 50 LEU H 4.390 . 4.390 2.488 2.265 2.982 . 0 0 "[ . 1 . 2]" 1
555 1 49 PHE QB 1 50 LEU H 3.850 . 3.850 2.448 2.245 2.882 . 0 0 "[ . 1 . 2]" 1
556 1 49 PHE QB 1 50 LEU HA 4.190 . 4.190 3.892 3.515 4.197 0.007 10 0 "[ . 1 . 2]" 1
557 1 49 PHE QB 1 51 LYS H 5.700 . 5.700 4.469 4.093 5.026 . 0 0 "[ . 1 . 2]" 1
558 1 50 LEU H 1 50 LEU QB . . 3.760 2.267 2.184 2.430 . 0 0 "[ . 1 . 2]" 1
559 1 50 LEU H 1 50 LEU QD 4.880 . 4.880 2.475 2.196 3.431 . 0 0 "[ . 1 . 2]" 1
560 1 50 LEU H 1 50 LEU HG 4.710 . 4.710 4.079 3.042 4.322 . 0 0 "[ . 1 . 2]" 1
561 1 50 LEU H 1 51 LYS H 4.370 . 4.370 2.438 2.107 2.830 . 0 0 "[ . 1 . 2]" 1
562 1 50 LEU H 1 62 TYR QB 5.570 . 5.570 3.439 3.310 3.554 . 0 0 "[ . 1 . 2]" 1
563 1 50 LEU HA 1 50 LEU HG 3.140 . 3.140 2.652 2.500 3.105 . 0 0 "[ . 1 . 2]" 1
564 1 50 LEU HA 1 58 TYR QB 5.300 . 5.300 4.505 2.238 5.361 0.061 14 0 "[ . 1 . 2]" 1
565 1 50 LEU HA 1 58 TYR QD 5.020 . 5.020 3.988 2.639 4.874 . 0 0 "[ . 1 . 2]" 1
566 1 50 LEU QB 1 58 TYR QB . . 4.340 2.682 2.283 3.282 . 0 0 "[ . 1 . 2]" 1
567 1 50 LEU QB 1 58 TYR QD . . 5.050 2.932 2.115 4.049 . 0 0 "[ . 1 . 2]" 1
568 1 50 LEU QB 1 62 TYR QB 5.290 . 5.290 3.833 2.556 4.687 . 0 0 "[ . 1 . 2]" 1
569 1 50 LEU QD 1 51 LYS H 5.700 . 5.700 3.958 3.632 4.377 . 0 0 "[ . 1 . 2]" 1
570 1 50 LEU QD 1 58 TYR HA 5.680 . 5.680 4.028 2.589 4.438 . 0 0 "[ . 1 . 2]" 1
571 1 50 LEU QD 1 58 TYR QB . . 4.510 2.045 1.735 2.684 . 0 0 "[ . 1 . 2]" 1
572 1 50 LEU QD 1 58 TYR QD 5.630 . 5.630 3.189 2.340 3.818 . 0 0 "[ . 1 . 2]" 1
573 1 50 LEU QD 1 62 TYR H 5.140 . 5.140 3.364 2.395 3.906 . 0 0 "[ . 1 . 2]" 1
574 1 50 LEU QD 1 62 TYR HA 4.630 . 4.630 3.097 2.563 3.625 . 0 0 "[ . 1 . 2]" 1
575 1 50 LEU QD 1 62 TYR QB . . 4.210 2.474 1.929 3.394 . 0 0 "[ . 1 . 2]" 1
576 1 50 LEU QD 1 62 TYR QD 4.540 . 4.540 2.689 2.014 3.584 . 0 0 "[ . 1 . 2]" 1
577 1 50 LEU QD 1 63 ASN H 5.700 . 5.700 5.135 4.455 5.764 0.064 10 0 "[ . 1 . 2]" 1
578 1 50 LEU HG 1 58 TYR QB . . 4.270 3.163 1.987 4.386 0.116 1 0 "[ . 1 . 2]" 1
579 1 50 LEU HG 1 58 TYR QD 4.510 . 4.510 3.382 1.911 4.706 0.196 1 0 "[ . 1 . 2]" 1
580 1 51 LYS H 1 58 TYR QD 5.250 . 5.250 5.280 5.105 5.376 0.126 13 0 "[ . 1 . 2]" 1
581 1 57 LYS HA 1 57 LYS QD 3.970 . 3.970 2.862 1.910 4.042 0.072 3 0 "[ . 1 . 2]" 1
582 1 57 LYS QB 1 57 LYS QD 3.320 . 3.320 2.403 2.034 2.941 . 0 0 "[ . 1 . 2]" 1
583 1 57 LYS QB 1 58 TYR QD 5.490 . 5.490 3.591 2.165 4.527 . 0 0 "[ . 1 . 2]" 1
584 1 57 LYS QG 1 58 TYR QE 5.700 . 5.700 4.720 2.670 5.754 0.054 15 0 "[ . 1 . 2]" 1
585 1 58 TYR HA 1 58 TYR QD 3.570 . 3.570 2.680 2.378 3.046 . 0 0 "[ . 1 . 2]" 1
586 1 58 TYR HA 1 58 TYR QE 5.010 . 5.010 4.603 4.370 4.734 . 0 0 "[ . 1 . 2]" 1
587 1 58 TYR HA 1 61 VAL H 5.420 . 5.420 3.544 3.045 3.787 . 0 0 "[ . 1 . 2]" 1
588 1 58 TYR HA 1 61 VAL HB 4.780 . 4.780 4.553 2.775 4.904 0.124 10 0 "[ . 1 . 2]" 1
589 1 58 TYR HA 1 61 VAL QG 4.590 . 4.590 2.534 1.935 3.507 . 0 0 "[ . 1 . 2]" 1
590 1 58 TYR QB 1 61 VAL H 5.700 . 5.700 3.945 3.612 4.871 . 0 0 "[ . 1 . 2]" 1
591 1 58 TYR QB 1 61 VAL HB 4.430 . 4.430 4.411 4.116 4.552 0.122 9 0 "[ . 1 . 2]" 1
592 1 58 TYR QB 1 61 VAL QG . . 4.480 2.100 1.843 4.364 . 0 0 "[ . 1 . 2]" 1
593 1 58 TYR QB 1 62 TYR QB 5.380 . 5.380 3.204 2.384 4.486 . 0 0 "[ . 1 . 2]" 1
594 1 58 TYR QB 1 62 TYR QB 5.150 . 5.150 3.041 2.360 4.230 . 0 0 "[ . 1 . 2]" 1
595 1 58 TYR QD 1 61 VAL HB 4.670 . 4.670 4.519 4.080 4.723 0.053 11 0 "[ . 1 . 2]" 1
596 1 58 TYR QD 1 61 VAL QG . . 4.160 2.573 1.981 4.238 0.078 5 0 "[ . 1 . 2]" 1
597 1 60 ARG HA 1 60 ARG QD 4.080 . 4.080 3.701 2.362 4.173 0.093 17 0 "[ . 1 . 2]" 1
598 1 60 ARG HA 1 63 ASN H 4.670 . 4.670 4.235 3.829 4.679 0.009 3 0 "[ . 1 . 2]" 1
599 1 60 ARG HA 1 63 ASN QB . . 4.130 3.483 2.904 3.958 . 0 0 "[ . 1 . 2]" 1
600 1 60 ARG QB 1 61 VAL H 5.100 . 5.100 2.596 2.197 3.422 . 0 0 "[ . 1 . 2]" 1
601 1 60 ARG QB 1 61 VAL HB 4.640 . 4.640 4.048 3.695 4.787 0.147 15 0 "[ . 1 . 2]" 1
602 1 60 ARG QB 1 61 VAL QG 5.700 . 5.700 3.692 2.856 4.463 . 0 0 "[ . 1 . 2]" 1
603 1 60 ARG QG 1 61 VAL QG 5.700 . 5.700 4.609 3.464 5.285 . 0 0 "[ . 1 . 2]" 1
604 1 61 VAL H 1 61 VAL HB 4.130 . 4.130 2.774 2.437 2.978 . 0 0 "[ . 1 . 2]" 1
605 1 61 VAL H 1 61 VAL QG . . 4.180 2.028 1.869 2.635 . 0 0 "[ . 1 . 2]" 1
606 1 61 VAL H 1 62 TYR H 4.720 . 4.720 2.523 2.289 2.948 . 0 0 "[ . 1 . 2]" 1
607 1 61 VAL HA 1 64 GLY H 4.680 . 4.680 3.611 3.136 4.249 . 0 0 "[ . 1 . 2]" 1
608 1 61 VAL HB 1 62 TYR H 4.220 . 4.220 4.059 3.290 4.225 0.005 8 0 "[ . 1 . 2]" 1
609 1 61 VAL QG 1 62 TYR H 5.230 . 5.230 2.312 2.091 2.893 . 0 0 "[ . 1 . 2]" 1
610 1 61 VAL QG 1 62 TYR HA 5.410 . 5.410 3.117 2.943 3.305 . 0 0 "[ . 1 . 2]" 1
611 1 62 TYR H 1 62 TYR QB 3.840 . 3.840 2.268 2.155 2.821 . 0 0 "[ . 1 . 2]" 1
612 1 62 TYR H 1 63 ASN H 4.570 . 4.570 2.695 2.499 2.883 . 0 0 "[ . 1 . 2]" 1
613 1 62 TYR H 1 64 GLY H 5.130 . 5.130 3.908 3.686 4.276 . 0 0 "[ . 1 . 2]" 1
614 1 62 TYR HA 1 62 TYR QD 3.790 . 3.790 2.858 2.629 3.636 . 0 0 "[ . 1 . 2]" 1
615 1 62 TYR HA 1 63 ASN HA 4.950 . 4.950 4.775 4.646 4.910 . 0 0 "[ . 1 . 2]" 1
616 1 62 TYR HA 1 64 GLY H 5.390 . 5.390 4.368 3.857 4.669 . 0 0 "[ . 1 . 2]" 1
617 1 62 TYR HA 1 65 TYR H 5.310 . 5.310 3.560 2.814 3.881 . 0 0 "[ . 1 . 2]" 1
618 1 62 TYR HA 1 65 TYR H 4.590 . 4.590 3.421 2.738 3.822 . 0 0 "[ . 1 . 2]" 1
619 1 62 TYR HA 1 65 TYR QB 4.520 . 4.520 2.840 1.993 3.529 . 0 0 "[ . 1 . 2]" 1
620 1 62 TYR QB 1 63 ASN H 4.190 . 4.190 2.388 1.995 3.877 . 0 0 "[ . 1 . 2]" 1
621 1 62 TYR QB 1 64 GLY H 5.250 . 5.250 4.563 4.220 5.115 . 0 0 "[ . 1 . 2]" 1
622 1 62 TYR QD 1 63 ASN HA 4.530 . 4.530 3.374 2.972 4.012 . 0 0 "[ . 1 . 2]" 1
623 1 62 TYR QE 1 63 ASN H 5.230 . 5.230 5.241 4.293 5.345 0.115 7 0 "[ . 1 . 2]" 1
624 1 63 ASN H 1 63 ASN QB 3.790 . 3.790 2.298 2.182 2.512 . 0 0 "[ . 1 . 2]" 1
625 1 63 ASN H 1 64 GLY H 4.860 . 4.860 2.670 2.516 2.873 . 0 0 "[ . 1 . 2]" 1
626 1 63 ASN HA 1 64 GLY QA 4.790 . 4.790 4.451 4.404 4.500 . 0 0 "[ . 1 . 2]" 1
627 1 63 ASN HA 1 65 TYR H 4.210 . 4.210 3.354 3.094 3.619 . 0 0 "[ . 1 . 2]" 1
628 1 63 ASN HA 1 66 MET QB 4.000 . 4.000 3.006 2.380 4.021 0.021 9 0 "[ . 1 . 2]" 1
629 1 63 ASN HA 1 66 MET QG . . 4.830 3.689 1.977 4.893 0.063 7 0 "[ . 1 . 2]" 1
630 1 63 ASN QB 1 64 GLY H 4.500 . 4.500 2.703 2.359 3.037 . 0 0 "[ . 1 . 2]" 1
631 1 63 ASN QD 1 66 MET QB 5.450 . 5.450 4.251 2.833 5.528 0.078 4 0 "[ . 1 . 2]" 1
632 1 64 GLY H 1 65 TYR H 4.330 . 4.330 2.620 2.473 2.824 . 0 0 "[ . 1 . 2]" 1
633 1 64 GLY H 1 66 MET H 4.480 . 4.480 4.064 3.891 4.346 . 0 0 "[ . 1 . 2]" 1
634 1 65 TYR H 1 65 TYR QB 3.630 . 3.630 2.169 2.074 2.348 . 0 0 "[ . 1 . 2]" 1
635 1 65 TYR H 1 66 MET H 2.950 . 2.950 2.639 2.377 2.843 . 0 0 "[ . 1 . 2]" 1
636 1 65 TYR H 1 66 MET QB 5.700 . 5.700 4.535 4.227 5.190 . 0 0 "[ . 1 . 2]" 1
637 1 65 TYR HA 1 65 TYR QD 3.450 . 3.450 2.534 2.106 2.958 . 0 0 "[ . 1 . 2]" 1
638 1 65 TYR HA 1 68 TYR QB 4.110 . 4.110 3.700 3.049 4.119 0.009 16 0 "[ . 1 . 2]" 1
639 1 65 TYR HA 1 68 TYR QD 4.650 . 4.650 4.041 2.110 4.699 0.049 18 0 "[ . 1 . 2]" 1
640 1 65 TYR QB 1 66 MET H 4.380 . 4.380 2.823 2.500 3.158 . 0 0 "[ . 1 . 2]" 1
641 1 66 MET H 1 66 MET QG 4.370 . 4.370 3.288 2.114 4.074 . 0 0 "[ . 1 . 2]" 1
642 1 66 MET H 1 68 TYR QE 5.700 . 5.700 5.633 5.308 5.771 0.071 20 0 "[ . 1 . 2]" 1
643 1 66 MET HA 1 68 TYR QE 5.510 . 5.510 3.852 2.878 5.525 0.015 16 0 "[ . 1 . 2]" 1
644 1 66 MET HA 1 69 ARG H 4.630 . 4.630 4.000 3.714 4.284 . 0 0 "[ . 1 . 2]" 1
645 1 66 MET HA 1 69 ARG QB 4.380 . 4.380 4.065 3.141 4.446 0.066 9 0 "[ . 1 . 2]" 1
646 1 66 MET HA 1 69 ARG QG 5.680 . 5.680 3.721 2.915 5.534 . 0 0 "[ . 1 . 2]" 1
647 1 67 THR H 1 67 THR HB 3.740 . 3.740 2.721 2.448 3.648 . 0 0 "[ . 1 . 2]" 1
648 1 67 THR HB 1 68 TYR H 3.790 . 3.790 3.258 3.058 3.837 0.047 19 0 "[ . 1 . 2]" 1
649 1 68 TYR H 1 68 TYR QB 3.700 . 3.700 2.396 2.232 2.778 . 0 0 "[ . 1 . 2]" 1
650 1 68 TYR H 1 68 TYR QD 5.590 . 5.590 2.422 2.158 3.252 . 0 0 "[ . 1 . 2]" 1
651 1 68 TYR H 1 69 ARG H 4.680 . 4.680 2.548 2.412 2.641 . 0 0 "[ . 1 . 2]" 1
652 1 68 TYR HA 1 68 TYR QD 3.780 . 3.780 3.752 3.695 3.807 0.027 18 0 "[ . 1 . 2]" 1
653 1 68 TYR HA 1 68 TYR QE 5.170 . 5.170 4.152 2.263 5.288 0.118 3 0 "[ . 1 . 2]" 1
654 1 68 TYR QB 1 71 TYR H 4.600 . 4.600 4.611 4.451 4.686 0.086 18 0 "[ . 1 . 2]" 1
655 1 68 TYR QB 1 72 VAL H 5.700 . 5.700 2.819 2.551 3.438 . 0 0 "[ . 1 . 2]" 1
656 1 68 TYR QD 1 69 ARG H 5.700 . 5.700 2.773 2.075 3.708 . 0 0 "[ . 1 . 2]" 1
657 1 68 TYR QD 1 69 ARG HA 4.630 . 4.630 3.751 2.567 4.094 . 0 0 "[ . 1 . 2]" 1
658 1 68 TYR QD 1 69 ARG QD 4.260 . 4.260 3.921 3.281 4.427 0.167 18 0 "[ . 1 . 2]" 1
659 1 68 TYR QD 1 69 ARG QG 4.450 . 4.450 3.325 2.426 4.575 0.125 15 0 "[ . 1 . 2]" 1
660 1 68 TYR QE 1 69 ARG HA 4.850 . 4.850 4.163 3.495 4.658 . 0 0 "[ . 1 . 2]" 1
661 1 68 TYR QE 1 69 ARG QB 5.570 . 5.570 4.130 2.519 4.844 . 0 0 "[ . 1 . 2]" 1
662 1 68 TYR QE 1 69 ARG QG 4.930 . 4.930 3.030 2.142 4.274 . 0 0 "[ . 1 . 2]" 1
663 1 69 ARG H 1 69 ARG QD 5.010 . 5.010 4.118 3.569 4.665 . 0 0 "[ . 1 . 2]" 1
664 1 69 ARG H 1 69 ARG QG 4.190 . 4.190 2.978 2.409 4.034 . 0 0 "[ . 1 . 2]" 1
665 1 69 ARG H 1 72 VAL H 5.700 . 5.700 4.860 4.478 5.537 . 0 0 "[ . 1 . 2]" 1
666 1 69 ARG HA 1 69 ARG QD 3.650 . 3.650 2.908 2.272 3.804 0.154 18 0 "[ . 1 . 2]" 1
667 1 69 ARG HA 1 69 ARG QG 3.740 . 3.740 2.742 2.270 3.085 . 0 0 "[ . 1 . 2]" 1
668 1 69 ARG HA 1 72 VAL H 5.180 . 5.180 3.420 2.253 4.463 . 0 0 "[ . 1 . 2]" 1
669 1 71 TYR H 1 72 VAL H 4.470 . 4.470 2.090 1.899 2.416 . 0 0 "[ . 1 . 2]" 1
670 1 71 TYR HA 1 71 TYR QD 3.840 . 3.840 2.741 2.282 3.780 . 0 0 "[ . 1 . 2]" 1
671 1 71 TYR HA 1 72 VAL H 3.660 . 3.660 3.542 3.384 3.600 . 0 0 "[ . 1 . 2]" 1
672 1 71 TYR HA 1 72 VAL HA 4.990 . 4.990 4.562 4.390 4.712 . 0 0 "[ . 1 . 2]" 1
673 1 71 TYR HA 1 72 VAL QG 5.700 . 5.700 4.188 3.845 4.620 . 0 0 "[ . 1 . 2]" 1
674 1 71 TYR QB 1 72 VAL H . . 4.570 2.879 2.573 3.698 . 0 0 "[ . 1 . 2]" 1
675 1 71 TYR QB 1 72 VAL QG 5.110 . 5.110 2.746 2.261 3.441 . 0 0 "[ . 1 . 2]" 1
676 1 71 TYR QD 1 72 VAL H 5.700 . 5.700 4.058 3.312 4.506 . 0 0 "[ . 1 . 2]" 1
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