NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
372530 |
1dav   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dav
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 792
_Distance_constraint_stats_list.Viol_count 914
_Distance_constraint_stats_list.Viol_total 5435.250
_Distance_constraint_stats_list.Viol_max 3.970
_Distance_constraint_stats_list.Viol_rms 0.1393
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0172
_Distance_constraint_stats_list.Viol_average_violations_only 0.2973
_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 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LEU 35.831 2.244 2 20 [*+****************-*]
1 6 TYR 5.131 0.849 1 2 "[+ . - . 2]"
1 7 GLY 0.081 0.041 7 0 "[ . 1 . 2]"
1 8 ASP 34.873 2.244 2 20 [*+****************-*]
1 9 VAL 6.307 0.401 6 0 "[ . 1 . 2]"
1 10 ASN 5.437 0.407 16 0 "[ . 1 . 2]"
1 11 ASP 0.597 0.100 16 0 "[ . 1 . 2]"
1 12 ASP 0.918 0.130 16 0 "[ . 1 . 2]"
1 13 GLY 0.723 0.126 12 0 "[ . 1 . 2]"
1 14 LYS 20.796 1.448 11 14 "[-** * * *+******* 2]"
1 15 VAL 22.010 0.968 11 17 "[*** *** **+***-*** *]"
1 16 ASN 21.589 2.477 12 14 "[ ***.***** +- * ***]"
1 17 SER 0.005 0.005 17 0 "[ . 1 . 2]"
1 18 THR 14.794 1.448 11 14 "[-** * * *+******* 2]"
1 19 ASP 2.055 0.160 16 0 "[ . 1 . 2]"
1 20 ALA 14.601 1.272 5 13 "[**- + **** * *. ***]"
1 21 VAL 2.624 0.296 8 0 "[ . 1 . 2]"
1 22 ALA 0.030 0.030 8 0 "[ . 1 . 2]"
1 23 LEU 15.496 1.272 5 13 "[**- + **** * *. ***]"
1 24 LYS 1.347 0.134 13 0 "[ . 1 . 2]"
1 25 ARG 3.637 0.150 5 0 "[ . 1 . 2]"
1 26 TYR 10.836 0.968 11 5 "[ . 1+***- 2]"
1 27 VAL 4.283 0.334 15 0 "[ . 1 . 2]"
1 28 LEU 7.103 0.317 19 0 "[ . 1 . 2]"
1 29 ARG 2.324 0.157 19 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ILE 1.727 0.220 18 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 2.089 0.154 6 0 "[ . 1 . 2]"
1 35 ASN 8.982 0.407 16 0 "[ . 1 . 2]"
1 36 THR 1.695 0.269 12 0 "[ . 1 . 2]"
1 37 ASP 1.754 0.269 12 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.060 0.060 3 0 "[ . 1 . 2]"
1 40 ASP 62.617 3.970 1 20 [+****-**************]
1 41 LEU 9.059 1.494 7 7 "[ *-+ *1 * * * 2]"
1 42 ASN 0.363 0.060 11 0 "[ . 1 . 2]"
1 43 GLU 2.691 0.219 11 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 3.209 0.219 11 0 "[ . 1 . 2]"
1 46 ARG 16.248 0.906 6 15 "[*** *+* **** *.**- *]"
1 47 VAL 0.722 0.179 15 0 "[ . 1 . 2]"
1 48 ASN 1.313 0.243 4 0 "[ . 1 . 2]"
1 49 SER 0.144 0.101 13 0 "[ . 1 . 2]"
1 50 THR 1.145 0.243 4 0 "[ . 1 . 2]"
1 51 ASP 1.864 0.120 19 0 "[ . 1 . 2]"
1 52 LEU 45.637 2.477 12 20 [***********+-*******]
1 53 GLY 1.565 0.171 1 0 "[ . 1 . 2]"
1 54 ILE 27.095 1.862 12 18 "[**-*** ****+****** *]"
1 55 LEU 56.760 3.970 1 20 [+***********-*******]
1 56 LYS 2.545 0.721 19 1 "[ . 1 . +2]"
1 57 ARG 2.967 0.368 5 0 "[ . 1 . 2]"
1 58 TYR 6.043 0.721 19 1 "[ . 1 . +2]"
1 59 ILE 0.303 0.126 12 0 "[ . 1 . 2]"
1 60 LEU 0.167 0.167 13 0 "[ . 1 . 2]"
1 61 LYS 1.523 0.388 17 0 "[ . 1 . 2]"
1 62 GLU 1.821 0.178 18 0 "[ . 1 . 2]"
1 63 ILE 2.905 0.388 17 0 "[ . 1 . 2]"
1 64 ASP 1.362 0.280 17 0 "[ . 1 . 2]"
1 65 THR 1.587 0.369 10 0 "[ . 1 . 2]"
1 66 LEU 7.526 0.415 8 0 "[ . 1 . 2]"
1 68 TYR 8.216 0.849 1 2 "[+ . - . 2]"
2 1 CA 4.575 0.357 16 0 "[ . 1 . 2]"
3 1 CA 5.413 0.326 17 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 4 LYS H 1 5 LEU H . . 5.570 3.975 3.105 4.664 . 0 0 "[ . 1 . 2]" 1
2 1 4 LYS HA 1 5 LEU H . . 2.720 2.276 2.178 2.632 . 0 0 "[ . 1 . 2]" 1
3 1 4 LYS HA 1 5 LEU QD . . 8.600 3.141 2.404 4.468 . 0 0 "[ . 1 . 2]" 1
4 1 5 LEU H 1 5 LEU HG . . 4.240 3.823 2.949 4.565 0.325 15 0 "[ . 1 . 2]" 1
5 1 5 LEU H 1 8 ASP QB . . 4.920 6.415 5.755 7.164 2.244 2 20 [*+****************-*] 1
6 1 5 LEU H 1 38 ASN QD . . 6.870 5.660 4.819 6.176 . 0 0 "[ . 1 . 2]" 1
7 1 5 LEU H 1 63 ILE QG . . 6.880 5.159 4.174 6.188 . 0 0 "[ . 1 . 2]" 1
8 1 5 LEU HA 1 5 LEU HG . . 3.770 3.728 2.357 4.247 0.477 14 0 "[ . 1 . 2]" 1
9 1 5 LEU HA 1 63 ILE HB . . 6.000 5.644 4.172 6.048 0.048 4 0 "[ . 1 . 2]" 1
10 1 5 LEU HA 1 63 ILE MD . . 7.030 2.882 1.968 5.928 . 0 0 "[ . 1 . 2]" 1
11 1 5 LEU HA 1 63 ILE QG . . 6.880 3.852 3.005 5.014 . 0 0 "[ . 1 . 2]" 1
12 1 5 LEU HA 1 63 ILE MG . . 7.030 5.535 4.629 5.887 . 0 0 "[ . 1 . 2]" 1
13 1 5 LEU QB 1 6 TYR H . . 6.190 2.809 2.077 3.430 . 0 0 "[ . 1 . 2]" 1
14 1 5 LEU QB 1 8 ASP H . . 5.760 4.400 3.315 5.016 . 0 0 "[ . 1 . 2]" 1
15 1 5 LEU QB 1 8 ASP QB . . 7.540 3.246 2.404 3.926 . 0 0 "[ . 1 . 2]" 1
16 1 5 LEU QB 1 38 ASN HD21 . . 6.880 5.797 4.346 6.175 . 0 0 "[ . 1 . 2]" 1
17 1 5 LEU QB 1 38 ASN HD22 . . 6.880 5.593 4.569 6.054 . 0 0 "[ . 1 . 2]" 1
18 1 5 LEU QD 1 6 TYR H . . 7.660 3.641 2.359 4.147 . 0 0 "[ . 1 . 2]" 1
19 1 5 LEU QD 1 6 TYR HA . . 8.600 3.974 2.338 5.240 . 0 0 "[ . 1 . 2]" 1
20 1 5 LEU QD 1 6 TYR QB . . 9.470 4.527 3.560 4.927 . 0 0 "[ . 1 . 2]" 1
21 1 5 LEU QD 1 6 TYR QD . . 10.740 5.271 3.975 6.047 . 0 0 "[ . 1 . 2]" 1
22 1 5 LEU QD 1 7 GLY QA . . 9.470 4.977 3.767 5.994 . 0 0 "[ . 1 . 2]" 1
23 1 5 LEU QD 1 8 ASP H . . 6.730 3.584 2.483 4.866 . 0 0 "[ . 1 . 2]" 1
24 1 5 LEU QD 1 8 ASP QB . . 7.360 2.381 1.833 3.604 . 0 0 "[ . 1 . 2]" 1
25 1 5 LEU QD 1 13 GLY H . . 8.380 4.420 3.810 5.313 . 0 0 "[ . 1 . 2]" 1
26 1 5 LEU QD 1 13 GLY QA . . 9.470 3.667 2.605 4.653 . 0 0 "[ . 1 . 2]" 1
27 1 5 LEU MD1 1 8 ASP QB . . 9.190 3.083 1.836 4.934 . 0 0 "[ . 1 . 2]" 1
28 1 5 LEU MD2 1 8 ASP QB . . 9.190 3.813 1.846 5.159 . 0 0 "[ . 1 . 2]" 1
29 1 5 LEU HG 1 6 TYR H . . 5.350 4.063 3.116 4.827 . 0 0 "[ . 1 . 2]" 1
30 1 5 LEU HG 1 8 ASP H . . 4.920 4.567 3.346 5.068 0.148 19 0 "[ . 1 . 2]" 1
31 1 5 LEU HG 1 14 LYS HA . . 5.530 5.357 3.984 5.710 0.180 17 0 "[ . 1 . 2]" 1
32 1 5 LEU HG 1 38 ASN QD . . 6.870 4.565 3.126 6.195 . 0 0 "[ . 1 . 2]" 1
33 1 6 TYR H 1 6 TYR QE . . 6.870 6.374 6.091 6.485 . 0 0 "[ . 1 . 2]" 1
34 1 6 TYR H 1 7 GLY H . . 4.240 3.997 3.693 4.281 0.041 7 0 "[ . 1 . 2]" 1
35 1 6 TYR H 1 14 LYS QG . . 6.880 4.727 1.866 5.500 . 0 0 "[ . 1 . 2]" 1
36 1 6 TYR H 1 15 VAL QG . . 8.590 5.205 3.974 5.812 . 0 0 "[ . 1 . 2]" 1
37 1 6 TYR H 1 66 LEU QD . . 8.600 5.471 4.614 5.971 . 0 0 "[ . 1 . 2]" 1
38 1 6 TYR HA 1 7 GLY H . . 2.760 2.212 2.188 2.268 . 0 0 "[ . 1 . 2]" 1
39 1 6 TYR HA 1 8 ASP H . . 4.270 4.240 3.385 4.475 0.205 6 0 "[ . 1 . 2]" 1
40 1 6 TYR HA 1 38 ASN QB . . 6.880 3.883 3.433 4.476 . 0 0 "[ . 1 . 2]" 1
41 1 6 TYR HA 1 38 ASN QD . . 6.870 2.461 1.784 3.562 . 0 0 "[ . 1 . 2]" 1
42 1 6 TYR HA 1 41 LEU QD . . 8.600 5.116 4.051 5.819 . 0 0 "[ . 1 . 2]" 1
43 1 6 TYR QB 1 38 ASN QD . . 7.740 4.191 2.954 5.292 . 0 0 "[ . 1 . 2]" 1
44 1 6 TYR QB 1 41 LEU MD1 . . 7.900 5.085 4.188 5.759 . 0 0 "[ . 1 . 2]" 1
45 1 6 TYR QB 1 41 LEU QD . . 7.440 4.345 3.821 4.720 . 0 0 "[ . 1 . 2]" 1
46 1 6 TYR QB 1 41 LEU MD2 . . 7.900 4.828 4.055 5.156 . 0 0 "[ . 1 . 2]" 1
47 1 6 TYR QB 1 66 LEU QB . . 7.750 3.895 3.258 5.701 . 0 0 "[ . 1 . 2]" 1
48 1 6 TYR QB 1 66 LEU MD1 . . 7.900 3.386 2.395 3.976 . 0 0 "[ . 1 . 2]" 1
49 1 6 TYR QB 1 66 LEU QD . . 7.550 3.320 2.386 3.806 . 0 0 "[ . 1 . 2]" 1
50 1 6 TYR QB 1 66 LEU MD2 . . 7.900 5.027 4.293 5.628 . 0 0 "[ . 1 . 2]" 1
51 1 6 TYR QB 1 66 LEU HG . . 6.880 5.809 4.977 6.180 . 0 0 "[ . 1 . 2]" 1
52 1 6 TYR QB 1 68 TYR QE . . 9.010 8.776 7.240 9.859 0.849 1 2 "[+ . - . 2]" 1
53 1 6 TYR QD 1 7 GLY H . . 8.140 3.522 2.528 4.329 . 0 0 "[ . 1 . 2]" 1
54 1 6 TYR QD 1 14 LYS QB . . 9.020 4.916 3.298 5.686 . 0 0 "[ . 1 . 2]" 1
55 1 6 TYR QD 1 38 ASN HA . . 8.140 5.616 4.738 7.176 . 0 0 "[ . 1 . 2]" 1
56 1 6 TYR QD 1 39 ALA MB . . 9.170 5.885 4.137 6.787 . 0 0 "[ . 1 . 2]" 1
57 1 6 TYR QD 1 41 LEU HA . . 8.140 7.221 6.668 7.555 . 0 0 "[ . 1 . 2]" 1
58 1 6 TYR QD 1 41 LEU QB . . 9.020 5.616 4.971 6.259 . 0 0 "[ . 1 . 2]" 1
59 1 6 TYR QD 1 41 LEU QD . . 10.270 3.049 2.536 3.599 . 0 0 "[ . 1 . 2]" 1
60 1 6 TYR QE 1 7 GLY H . . 8.130 4.966 4.173 5.618 . 0 0 "[ . 1 . 2]" 1
61 1 6 TYR QE 1 14 LYS QB . . 9.010 6.767 5.222 7.347 . 0 0 "[ . 1 . 2]" 1
62 1 6 TYR QE 1 38 ASN HB2 . . 8.130 3.769 2.062 5.866 . 0 0 "[ . 1 . 2]" 1
63 1 6 TYR QE 1 38 ASN HB3 . . 8.130 4.557 2.176 6.959 . 0 0 "[ . 1 . 2]" 1
64 1 6 TYR QE 1 40 ASP QB . . 9.010 6.797 5.658 7.331 . 0 0 "[ . 1 . 2]" 1
65 1 6 TYR QE 1 41 LEU HA . . 8.130 5.304 4.867 5.787 . 0 0 "[ . 1 . 2]" 1
66 1 6 TYR QE 1 41 LEU QD . . 10.730 1.886 1.694 2.640 . 0 0 "[ . 1 . 2]" 1
67 1 6 TYR QE 1 55 LEU QB . . 9.010 7.344 4.821 8.821 . 0 0 "[ . 1 . 2]" 1
68 1 7 GLY H 1 8 ASP H . . 3.340 2.742 2.253 3.245 . 0 0 "[ . 1 . 2]" 1
69 1 7 GLY H 1 37 ASP QB . . 6.730 5.919 5.449 6.247 . 0 0 "[ . 1 . 2]" 1
70 1 7 GLY H 1 38 ASN HB2 . . 6.000 3.273 2.537 5.023 . 0 0 "[ . 1 . 2]" 1
71 1 7 GLY H 1 38 ASN QB . . 5.210 3.000 1.913 3.676 . 0 0 "[ . 1 . 2]" 1
72 1 7 GLY H 1 38 ASN HB3 . . 6.000 4.264 1.921 5.113 . 0 0 "[ . 1 . 2]" 1
73 1 7 GLY H 1 39 ALA HA . . 5.060 4.086 3.390 4.452 . 0 0 "[ . 1 . 2]" 1
74 1 7 GLY H 1 41 LEU MD1 . . 7.030 5.370 4.133 5.742 . 0 0 "[ . 1 . 2]" 1
75 1 7 GLY H 1 41 LEU QD . . 6.700 4.789 3.874 5.041 . 0 0 "[ . 1 . 2]" 1
76 1 7 GLY H 1 41 LEU MD2 . . 7.030 5.418 4.661 5.743 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLY H 1 66 LEU QD . . 8.600 5.938 5.142 6.399 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLY QA 1 9 VAL QG . . 9.360 4.702 3.580 5.678 . 0 0 "[ . 1 . 2]" 1
79 1 7 GLY QA 1 15 VAL QG . . 6.370 2.644 2.136 3.187 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLY QA 1 41 LEU QD . . 8.900 3.642 2.546 4.351 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLY QA 1 66 LEU QD . . 9.470 5.038 4.056 6.054 . 0 0 "[ . 1 . 2]" 1
82 1 7 GLY HA2 1 15 VAL MG1 . . 7.480 3.748 3.138 4.560 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLY HA2 1 15 VAL MG2 . . 7.480 5.466 3.756 5.984 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLY HA3 1 15 VAL MG1 . . 7.480 2.729 2.204 3.319 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLY HA3 1 15 VAL MG2 . . 7.480 4.910 3.675 5.136 . 0 0 "[ . 1 . 2]" 1
86 1 8 ASP CG 2 1 CA CA . . 4.000 4.043 3.123 4.357 0.357 16 0 "[ . 1 . 2]" 1
87 1 8 ASP H 1 8 ASP QB . . 3.200 2.117 1.987 2.222 . 0 0 "[ . 1 . 2]" 1
88 1 8 ASP H 1 9 VAL QG . . 8.590 5.067 4.627 5.572 . 0 0 "[ . 1 . 2]" 1
89 1 8 ASP H 1 15 VAL QG . . 7.620 4.424 3.653 4.763 . 0 0 "[ . 1 . 2]" 1
90 1 8 ASP H 1 35 ASN QB . . 4.540 3.303 2.792 4.046 . 0 0 "[ . 1 . 2]" 1
91 1 8 ASP H 1 38 ASN QB . . 6.080 5.072 3.016 5.509 . 0 0 "[ . 1 . 2]" 1
92 1 8 ASP HA 1 9 VAL H . . 3.050 2.375 2.255 2.438 . 0 0 "[ . 1 . 2]" 1
93 1 8 ASP HA 1 9 VAL QG . . 8.590 3.690 3.181 4.288 . 0 0 "[ . 1 . 2]" 1
94 1 8 ASP HA 1 15 VAL MG1 . . 7.030 3.895 2.773 5.461 . 0 0 "[ . 1 . 2]" 1
95 1 8 ASP HA 1 15 VAL QG . . 6.350 3.703 2.730 4.869 . 0 0 "[ . 1 . 2]" 1
96 1 8 ASP HA 1 15 VAL MG2 . . 7.030 4.697 4.078 5.470 . 0 0 "[ . 1 . 2]" 1
97 1 8 ASP QB 1 13 GLY H . . 6.880 4.049 3.640 4.451 . 0 0 "[ . 1 . 2]" 1
98 1 8 ASP QB 1 14 LYS H . . 6.880 4.630 4.240 5.092 . 0 0 "[ . 1 . 2]" 1
99 1 8 ASP QB 1 14 LYS QG . . 7.750 5.785 4.483 6.170 . 0 0 "[ . 1 . 2]" 1
100 1 8 ASP QB 1 15 VAL MG1 . . 10.150 5.270 4.308 6.214 . 0 0 "[ . 1 . 2]" 1
101 1 8 ASP QB 1 15 VAL QG . . 7.740 4.928 4.171 5.598 . 0 0 "[ . 1 . 2]" 1
102 1 8 ASP QB 1 15 VAL MG2 . . 10.150 5.958 5.563 6.412 . 0 0 "[ . 1 . 2]" 1
103 1 8 ASP QB 1 38 ASN HD21 . . 7.390 5.377 4.620 6.055 . 0 0 "[ . 1 . 2]" 1
104 1 8 ASP QB 1 38 ASN QD . . 6.420 4.450 3.878 4.880 . 0 0 "[ . 1 . 2]" 1
105 1 8 ASP QB 1 38 ASN HD22 . . 7.390 4.869 4.043 5.999 . 0 0 "[ . 1 . 2]" 1
106 1 9 VAL H 1 9 VAL HB . . 3.660 2.311 2.078 2.550 . 0 0 "[ . 1 . 2]" 1
107 1 9 VAL H 1 9 VAL MG1 . . 4.760 3.611 2.507 3.783 . 0 0 "[ . 1 . 2]" 1
108 1 9 VAL H 1 9 VAL MG2 . . 4.760 2.625 1.998 3.716 . 0 0 "[ . 1 . 2]" 1
109 1 9 VAL H 1 11 ASP H . . 4.240 3.251 2.945 3.717 . 0 0 "[ . 1 . 2]" 1
110 1 9 VAL H 1 14 LYS HA . . 6.000 4.126 3.897 4.477 . 0 0 "[ . 1 . 2]" 1
111 1 9 VAL H 1 19 ASP HB2 . . 6.000 4.271 3.943 4.605 . 0 0 "[ . 1 . 2]" 1
112 1 9 VAL H 1 19 ASP QB . . 5.270 3.704 3.518 4.012 . 0 0 "[ . 1 . 2]" 1
113 1 9 VAL H 1 19 ASP HB3 . . 6.000 4.074 3.794 4.452 . 0 0 "[ . 1 . 2]" 1
114 1 9 VAL HA 1 10 ASN HA . . 5.280 4.519 4.498 4.571 . 0 0 "[ . 1 . 2]" 1
115 1 9 VAL HA 1 11 ASP H . . 5.210 4.029 3.924 4.265 . 0 0 "[ . 1 . 2]" 1
116 1 9 VAL HA 1 15 VAL HB . . 6.000 4.114 3.803 5.096 . 0 0 "[ . 1 . 2]" 1
117 1 9 VAL HA 1 34 ILE H . . 6.000 5.882 5.655 6.085 0.085 12 0 "[ . 1 . 2]" 1
118 1 9 VAL HA 1 34 ILE MD . . 7.030 2.835 2.164 3.580 . 0 0 "[ . 1 . 2]" 1
119 1 9 VAL HA 1 35 ASN H . . 4.020 2.724 2.486 3.050 . 0 0 "[ . 1 . 2]" 1
120 1 9 VAL HA 1 35 ASN HB2 . . 5.390 4.510 3.919 5.640 0.250 15 0 "[ . 1 . 2]" 1
121 1 9 VAL HA 1 35 ASN QB . . 5.000 4.055 3.840 4.225 . 0 0 "[ . 1 . 2]" 1
122 1 9 VAL HA 1 35 ASN HB3 . . 5.390 5.277 3.983 5.791 0.401 6 0 "[ . 1 . 2]" 1
123 1 9 VAL HB 1 19 ASP H . . 5.060 5.042 4.880 5.203 0.143 2 0 "[ . 1 . 2]" 1
124 1 9 VAL HB 1 19 ASP HA . . 5.600 4.197 3.952 4.372 . 0 0 "[ . 1 . 2]" 1
125 1 9 VAL HB 1 19 ASP QB . . 6.880 1.978 1.926 2.159 . 0 0 "[ . 1 . 2]" 1
126 1 9 VAL HB 1 22 ALA MB . . 6.240 3.763 3.355 4.277 . 0 0 "[ . 1 . 2]" 1
127 1 9 VAL HB 1 26 TYR QD . . 8.140 7.606 6.928 8.321 0.181 13 0 "[ . 1 . 2]" 1
128 1 9 VAL HB 1 34 ILE HA . . 6.000 6.000 5.873 6.079 0.079 11 0 "[ . 1 . 2]" 1
129 1 9 VAL HB 1 34 ILE MD . . 6.090 4.481 4.039 5.007 . 0 0 "[ . 1 . 2]" 1
130 1 9 VAL HB 1 34 ILE MG . . 6.600 4.212 3.822 4.531 . 0 0 "[ . 1 . 2]" 1
131 1 9 VAL HB 1 35 ASN H . . 5.930 5.592 5.282 5.760 . 0 0 "[ . 1 . 2]" 1
132 1 9 VAL QG 1 10 ASN H . . 6.020 2.828 1.888 3.141 . 0 0 "[ . 1 . 2]" 1
133 1 9 VAL QG 1 10 ASN HA . . 8.590 3.434 3.070 3.803 . 0 0 "[ . 1 . 2]" 1
134 1 9 VAL QG 1 16 ASN H . . 8.590 3.571 2.919 4.372 . 0 0 "[ . 1 . 2]" 1
135 1 9 VAL QG 1 19 ASP H . . 8.590 4.227 3.889 4.472 . 0 0 "[ . 1 . 2]" 1
136 1 9 VAL QG 1 19 ASP HA . . 5.920 3.603 2.383 3.864 . 0 0 "[ . 1 . 2]" 1
137 1 9 VAL QG 1 19 ASP QB . . 6.020 1.881 1.679 2.039 . 0 0 "[ . 1 . 2]" 1
138 1 9 VAL QG 1 20 ALA MB . . 9.080 5.178 5.080 5.274 . 0 0 "[ . 1 . 2]" 1
139 1 9 VAL QG 1 22 ALA MB . . 7.370 1.770 1.552 2.111 . 0 0 "[ . 1 . 2]" 1
140 1 9 VAL QG 1 23 LEU H . . 5.600 3.227 2.466 3.968 . 0 0 "[ . 1 . 2]" 1
141 1 9 VAL QG 1 34 ILE MG . . 9.440 1.812 1.625 2.028 . 0 0 "[ . 1 . 2]" 1
142 1 9 VAL MG1 1 10 ASN H . . 6.670 2.942 1.891 3.477 . 0 0 "[ . 1 . 2]" 1
143 1 9 VAL MG1 1 19 ASP HA . . 7.030 3.821 2.397 4.140 . 0 0 "[ . 1 . 2]" 1
144 1 9 VAL MG1 1 19 ASP HB2 . . 7.030 3.548 3.122 4.029 . 0 0 "[ . 1 . 2]" 1
145 1 9 VAL MG1 1 19 ASP HB3 . . 7.030 2.178 1.938 2.575 . 0 0 "[ . 1 . 2]" 1
146 1 9 VAL MG1 1 20 ALA H . . 6.600 5.560 4.870 5.672 . 0 0 "[ . 1 . 2]" 1
147 1 9 VAL MG1 1 22 ALA MB . . 8.060 1.790 1.614 2.122 . 0 0 "[ . 1 . 2]" 1
148 1 9 VAL MG1 1 23 LEU H . . 6.340 3.437 2.558 4.207 . 0 0 "[ . 1 . 2]" 1
149 1 9 VAL MG1 1 34 ILE HA . . 7.030 3.758 3.455 4.789 . 0 0 "[ . 1 . 2]" 1
150 1 9 VAL MG1 1 35 ASN H . . 7.030 4.236 3.800 5.112 . 0 0 "[ . 1 . 2]" 1
151 1 9 VAL MG2 1 10 ASN H . . 6.670 3.858 3.578 4.078 . 0 0 "[ . 1 . 2]" 1
152 1 9 VAL MG2 1 19 ASP HA . . 7.030 4.499 4.174 4.809 . 0 0 "[ . 1 . 2]" 1
153 1 9 VAL MG2 1 19 ASP HB2 . . 7.030 2.495 1.955 3.909 . 0 0 "[ . 1 . 2]" 1
154 1 9 VAL MG2 1 19 ASP HB3 . . 7.030 2.362 1.958 2.673 . 0 0 "[ . 1 . 2]" 1
155 1 9 VAL MG2 1 20 ALA H . . 6.600 5.492 5.213 5.638 . 0 0 "[ . 1 . 2]" 1
156 1 9 VAL MG2 1 22 ALA MB . . 8.060 3.368 1.683 3.785 . 0 0 "[ . 1 . 2]" 1
157 1 9 VAL MG2 1 23 LEU H . . 6.340 4.075 2.927 4.860 . 0 0 "[ . 1 . 2]" 1
158 1 9 VAL MG2 1 34 ILE HA . . 7.030 5.062 3.824 5.651 . 0 0 "[ . 1 . 2]" 1
159 1 9 VAL MG2 1 35 ASN H . . 7.030 4.357 3.800 4.944 . 0 0 "[ . 1 . 2]" 1
160 1 10 ASN H 1 10 ASN QB . . 3.810 2.951 2.806 3.044 . 0 0 "[ . 1 . 2]" 1
161 1 10 ASN H 1 11 ASP H . . 3.340 2.573 2.233 2.787 . 0 0 "[ . 1 . 2]" 1
162 1 10 ASN HA 1 11 ASP QB . . 6.080 4.091 3.869 4.719 . 0 0 "[ . 1 . 2]" 1
163 1 10 ASN HA 1 22 ALA MB . . 7.030 4.776 4.041 5.251 . 0 0 "[ . 1 . 2]" 1
164 1 10 ASN HA 1 34 ILE HA . . 4.310 4.326 3.652 4.464 0.154 6 0 "[ . 1 . 2]" 1
165 1 10 ASN HA 1 34 ILE MG . . 7.030 4.058 3.597 4.489 . 0 0 "[ . 1 . 2]" 1
166 1 10 ASN HA 1 35 ASN H . . 5.060 5.102 4.371 5.467 0.407 16 0 "[ . 1 . 2]" 1
167 1 10 ASN QB 1 22 ALA MB . . 7.900 3.914 3.432 4.478 . 0 0 "[ . 1 . 2]" 1
168 1 10 ASN QB 1 35 ASN H . . 6.880 6.491 5.942 6.737 . 0 0 "[ . 1 . 2]" 1
169 1 10 ASN QD 1 12 ASP QB . . 7.740 3.201 2.841 3.714 . 0 0 "[ . 1 . 2]" 1
170 1 10 ASN QD 1 18 THR HA . . 6.870 6.043 5.851 6.164 . 0 0 "[ . 1 . 2]" 1
171 1 10 ASN QD 1 18 THR MG . . 5.950 3.709 3.402 4.070 . 0 0 "[ . 1 . 2]" 1
172 1 10 ASN HD21 1 18 THR MG . . 6.600 5.137 4.630 5.413 . 0 0 "[ . 1 . 2]" 1
173 1 10 ASN HD22 1 18 THR MG . . 6.600 3.807 3.482 4.207 . 0 0 "[ . 1 . 2]" 1
174 1 10 ASN OD1 2 1 CA CA . . 2.800 2.797 2.601 2.877 0.077 16 0 "[ . 1 . 2]" 1
175 1 11 ASP H 1 11 ASP HA . . 2.870 2.173 2.171 2.176 . 0 0 "[ . 1 . 2]" 1
176 1 11 ASP H 1 12 ASP H . . 3.480 2.868 2.597 3.035 . 0 0 "[ . 1 . 2]" 1
177 1 11 ASP H 1 35 ASN QB . . 6.880 4.641 4.133 5.398 . 0 0 "[ . 1 . 2]" 1
178 1 11 ASP HA 1 12 ASP H . . 3.300 2.764 2.619 2.856 . 0 0 "[ . 1 . 2]" 1
179 1 11 ASP HA 1 13 GLY H . . 4.270 4.183 3.759 4.370 0.100 16 0 "[ . 1 . 2]" 1
180 1 12 ASP CG 2 1 CA CA . . 4.000 3.274 2.847 3.610 . 0 0 "[ . 1 . 2]" 1
181 1 12 ASP H 1 12 ASP HB2 . . 4.160 3.272 2.975 3.757 . 0 0 "[ . 1 . 2]" 1
182 1 12 ASP H 1 12 ASP QB . . 3.860 2.301 2.146 2.723 . 0 0 "[ . 1 . 2]" 1
183 1 12 ASP H 1 12 ASP HB3 . . 4.160 2.352 2.200 2.796 . 0 0 "[ . 1 . 2]" 1
184 1 12 ASP H 1 13 GLY H . . 2.980 2.123 1.839 2.388 . 0 0 "[ . 1 . 2]" 1
185 1 12 ASP H 1 13 GLY QA . . 5.290 4.120 3.963 4.291 . 0 0 "[ . 1 . 2]" 1
186 1 12 ASP H 1 14 LYS H . . 3.880 3.916 3.791 4.010 0.130 16 0 "[ . 1 . 2]" 1
187 1 13 GLY H 1 14 LYS H . . 3.160 2.142 1.895 2.445 . 0 0 "[ . 1 . 2]" 1
188 1 13 GLY QA 1 59 ILE QG . . 7.750 7.126 6.805 7.876 0.126 12 0 "[ . 1 . 2]" 1
189 1 14 LYS H 1 14 LYS QE . . 6.880 3.464 2.395 4.728 . 0 0 "[ . 1 . 2]" 1
190 1 14 LYS H 1 15 VAL QG . . 7.870 5.178 5.091 5.242 . 0 0 "[ . 1 . 2]" 1
191 1 14 LYS H 1 59 ILE HB . . 6.000 5.855 5.572 5.991 . 0 0 "[ . 1 . 2]" 1
192 1 14 LYS HA 1 15 VAL QG . . 8.590 3.906 3.693 4.205 . 0 0 "[ . 1 . 2]" 1
193 1 14 LYS HA 1 16 ASN H . . 5.570 5.705 5.269 5.844 0.274 15 0 "[ . 1 . 2]" 1
194 1 14 LYS HA 1 16 ASN QD . . 6.870 5.023 4.194 6.156 . 0 0 "[ . 1 . 2]" 1
195 1 14 LYS QB 1 16 ASN H . . 6.840 5.089 4.361 5.526 . 0 0 "[ . 1 . 2]" 1
196 1 14 LYS QB 1 18 THR HB . . 5.940 6.651 5.370 7.388 1.448 11 14 "[-** * * *+******* 2]" 1
197 1 14 LYS QD 1 63 ILE MG . . 7.900 4.430 2.223 6.149 . 0 0 "[ . 1 . 2]" 1
198 1 14 LYS QG 1 16 ASN H . . 6.880 4.887 3.599 6.187 . 0 0 "[ . 1 . 2]" 1
199 1 14 LYS O 2 1 CA CA . . 2.800 2.793 2.655 2.900 0.100 16 0 "[ . 1 . 2]" 1
200 1 15 VAL H 1 15 VAL HB . . 3.910 2.739 2.487 3.090 . 0 0 "[ . 1 . 2]" 1
201 1 15 VAL HA 1 16 ASN H . . 2.690 2.206 2.182 2.279 . 0 0 "[ . 1 . 2]" 1
202 1 15 VAL HA 1 19 ASP H . . 4.670 4.200 3.903 4.803 0.133 16 0 "[ . 1 . 2]" 1
203 1 15 VAL HB 1 16 ASN H . . 4.700 4.466 4.308 4.580 . 0 0 "[ . 1 . 2]" 1
204 1 15 VAL HB 1 26 TYR QE . . 7.770 8.135 7.358 8.738 0.968 11 5 "[ . 1+***- 2]" 1
205 1 15 VAL HB 1 35 ASN QD . . 5.970 4.784 3.225 5.323 . 0 0 "[ . 1 . 2]" 1
206 1 15 VAL HB 1 46 ARG HA . . 4.700 5.406 5.042 5.606 0.906 6 15 "[*** *+* **** *.**- *]" 1
207 1 15 VAL HB 1 58 TYR QE . . 8.130 6.974 5.767 7.563 . 0 0 "[ . 1 . 2]" 1
208 1 15 VAL QG 1 16 ASN H . . 5.270 3.012 2.839 3.282 . 0 0 "[ . 1 . 2]" 1
209 1 15 VAL QG 1 16 ASN HA . . 7.180 3.436 3.213 3.586 . 0 0 "[ . 1 . 2]" 1
210 1 15 VAL QG 1 18 THR H . . 8.590 5.743 5.476 6.206 . 0 0 "[ . 1 . 2]" 1
211 1 15 VAL QG 1 19 ASP H . . 8.190 4.468 4.076 4.947 . 0 0 "[ . 1 . 2]" 1
212 1 15 VAL QG 1 19 ASP QB . . 6.990 2.851 2.018 3.518 . 0 0 "[ . 1 . 2]" 1
213 1 15 VAL QG 1 35 ASN QD . . 7.800 4.696 3.256 5.177 . 0 0 "[ . 1 . 2]" 1
214 1 15 VAL QG 1 39 ALA H . . 7.360 5.030 4.270 5.714 . 0 0 "[ . 1 . 2]" 1
215 1 15 VAL QG 1 46 ARG HA . . 4.670 3.156 2.903 3.389 . 0 0 "[ . 1 . 2]" 1
216 1 15 VAL QG 1 66 LEU QD . . 11.190 4.395 3.358 5.137 . 0 0 "[ . 1 . 2]" 1
217 1 15 VAL MG1 1 16 ASN H . . 5.880 4.229 4.118 4.316 . 0 0 "[ . 1 . 2]" 1
218 1 15 VAL MG1 1 19 ASP HB2 . . 8.740 5.084 4.470 5.702 . 0 0 "[ . 1 . 2]" 1
219 1 15 VAL MG1 1 19 ASP HB3 . . 8.740 5.941 5.079 6.735 . 0 0 "[ . 1 . 2]" 1
220 1 15 VAL MG1 1 46 ARG HA . . 5.080 3.696 3.248 4.188 . 0 0 "[ . 1 . 2]" 1
221 1 15 VAL MG2 1 16 ASN H . . 5.880 3.086 2.883 3.413 . 0 0 "[ . 1 . 2]" 1
222 1 15 VAL MG2 1 19 ASP HB2 . . 8.740 3.003 2.170 3.713 . 0 0 "[ . 1 . 2]" 1
223 1 15 VAL MG2 1 19 ASP HB3 . . 8.740 3.713 2.412 4.600 . 0 0 "[ . 1 . 2]" 1
224 1 15 VAL MG2 1 46 ARG HA . . 5.080 3.511 2.961 3.880 . 0 0 "[ . 1 . 2]" 1
225 1 16 ASN H 1 19 ASP H . . 3.700 2.516 2.230 2.974 . 0 0 "[ . 1 . 2]" 1
226 1 16 ASN H 1 19 ASP HB2 . . 4.160 2.315 1.939 2.564 . 0 0 "[ . 1 . 2]" 1
227 1 16 ASN H 1 19 ASP QB . . 3.700 2.301 1.931 2.543 . 0 0 "[ . 1 . 2]" 1
228 1 16 ASN H 1 19 ASP HB3 . . 4.160 4.020 3.593 4.242 0.082 15 0 "[ . 1 . 2]" 1
229 1 16 ASN H 1 47 VAL QG . . 8.120 4.111 3.509 4.452 . 0 0 "[ . 1 . 2]" 1
230 1 16 ASN HA 1 46 ARG QB . . 6.880 5.927 5.571 6.188 . 0 0 "[ . 1 . 2]" 1
231 1 16 ASN HA 1 47 VAL HB . . 5.060 4.762 3.701 5.239 0.179 15 0 "[ . 1 . 2]" 1
232 1 16 ASN HA 1 47 VAL QG . . 6.070 2.806 2.278 3.143 . 0 0 "[ . 1 . 2]" 1
233 1 16 ASN HA 1 52 LEU HG . . 5.600 6.047 3.476 8.077 2.477 12 14 "[ ***.***** +- * ***]" 1
234 1 16 ASN HA 1 59 ILE QG . . 6.880 4.837 3.892 5.813 . 0 0 "[ . 1 . 2]" 1
235 1 16 ASN QB 1 57 ARG H . . 6.880 5.972 5.627 6.242 . 0 0 "[ . 1 . 2]" 1
236 1 16 ASN QD 1 18 THR HA . . 6.870 4.861 4.272 6.072 . 0 0 "[ . 1 . 2]" 1
237 1 17 SER H 1 56 LYS HA . . 6.000 5.414 4.832 6.005 0.005 17 0 "[ . 1 . 2]" 1
238 1 17 SER QB 1 56 LYS H . . 6.880 6.244 5.955 6.315 . 0 0 "[ . 1 . 2]" 1
239 1 18 THR H 1 18 THR HB . . 3.340 2.351 2.115 2.627 . 0 0 "[ . 1 . 2]" 1
240 1 18 THR H 1 56 LYS QB . . 6.800 5.976 5.782 6.214 . 0 0 "[ . 1 . 2]" 1
241 1 18 THR H 1 59 ILE QG . . 6.880 6.135 5.642 6.707 . 0 0 "[ . 1 . 2]" 1
242 1 18 THR HA 1 19 ASP H . . 3.620 3.578 3.513 3.616 . 0 0 "[ . 1 . 2]" 1
243 1 18 THR HA 1 20 ALA MB . . 7.030 4.252 3.956 4.490 . 0 0 "[ . 1 . 2]" 1
244 1 18 THR MG 1 19 ASP H . . 5.340 3.604 2.057 4.050 . 0 0 "[ . 1 . 2]" 1
245 1 19 ASP H 1 19 ASP HB2 . . 3.730 2.374 2.228 2.643 . 0 0 "[ . 1 . 2]" 1
246 1 19 ASP H 1 19 ASP QB . . 3.240 2.341 2.204 2.585 . 0 0 "[ . 1 . 2]" 1
247 1 19 ASP H 1 19 ASP HB3 . . 3.730 3.580 3.500 3.675 . 0 0 "[ . 1 . 2]" 1
248 1 19 ASP H 1 20 ALA H . . 3.120 2.687 2.462 2.885 . 0 0 "[ . 1 . 2]" 1
249 1 19 ASP HA 1 21 VAL H . . 4.700 3.388 2.933 3.691 . 0 0 "[ . 1 . 2]" 1
250 1 19 ASP HA 1 22 ALA H . . 4.310 3.698 3.358 3.879 . 0 0 "[ . 1 . 2]" 1
251 1 19 ASP HA 1 22 ALA MB . . 5.300 4.010 3.637 4.241 . 0 0 "[ . 1 . 2]" 1
252 1 19 ASP HA 1 23 LEU H . . 4.810 4.739 4.355 4.925 0.115 15 0 "[ . 1 . 2]" 1
253 1 19 ASP HA 1 23 LEU QD . . 8.600 5.637 5.044 6.354 . 0 0 "[ . 1 . 2]" 1
254 1 19 ASP QB 1 20 ALA H . . 4.040 3.723 3.508 3.811 . 0 0 "[ . 1 . 2]" 1
255 1 19 ASP QB 1 20 ALA MB . . 6.860 4.681 4.511 4.766 . 0 0 "[ . 1 . 2]" 1
256 1 19 ASP QB 1 22 ALA MB . . 7.900 3.180 2.765 3.532 . 0 0 "[ . 1 . 2]" 1
257 1 19 ASP QB 1 23 LEU HG . . 6.880 5.950 4.971 6.237 . 0 0 "[ . 1 . 2]" 1
258 1 19 ASP HB2 1 20 ALA H . . 4.670 4.003 3.714 4.117 . 0 0 "[ . 1 . 2]" 1
259 1 19 ASP HB3 1 20 ALA H . . 4.670 4.435 4.314 4.555 . 0 0 "[ . 1 . 2]" 1
260 1 19 ASP OD1 2 1 CA CA . . 2.800 2.811 2.617 2.960 0.160 16 0 "[ . 1 . 2]" 1
261 1 19 ASP OD2 2 1 CA CA . . 2.800 2.558 2.258 2.863 0.063 11 0 "[ . 1 . 2]" 1
262 1 20 ALA H 1 21 VAL H . . 4.490 2.621 2.505 2.692 . 0 0 "[ . 1 . 2]" 1
263 1 20 ALA H 1 23 LEU QD . . 7.810 4.559 4.065 5.300 . 0 0 "[ . 1 . 2]" 1
264 1 20 ALA H 1 23 LEU HG . . 6.000 6.719 5.869 7.272 1.272 5 13 "[**- + **** * *. ***]" 1
265 1 20 ALA HA 1 23 LEU QB . . 4.750 1.890 1.765 2.033 . 0 0 "[ . 1 . 2]" 1
266 1 20 ALA HA 1 23 LEU HG . . 5.600 4.055 3.304 4.580 . 0 0 "[ . 1 . 2]" 1
267 1 20 ALA HA 1 24 LYS H . . 4.670 3.409 2.999 3.693 . 0 0 "[ . 1 . 2]" 1
268 1 20 ALA MB 1 21 VAL HA . . 7.030 3.874 3.728 3.999 . 0 0 "[ . 1 . 2]" 1
269 1 21 VAL H 1 21 VAL HB . . 3.230 2.431 2.115 3.526 0.296 8 0 "[ . 1 . 2]" 1
270 1 21 VAL HA 1 24 LYS H . . 4.020 3.897 3.641 4.108 0.088 9 0 "[ . 1 . 2]" 1
271 1 21 VAL HA 1 24 LYS QB . . 5.510 3.288 2.866 3.663 . 0 0 "[ . 1 . 2]" 1
272 1 21 VAL HA 1 24 LYS QG . . 6.880 5.275 4.659 5.782 . 0 0 "[ . 1 . 2]" 1
273 1 21 VAL HA 1 25 ARG H . . 4.560 4.634 4.339 4.710 0.150 5 0 "[ . 1 . 2]" 1
274 1 21 VAL HA 1 25 ARG QD . . 5.150 4.178 3.649 4.736 . 0 0 "[ . 1 . 2]" 1
275 1 21 VAL HA 1 25 ARG QG . . 6.880 5.755 4.338 6.139 . 0 0 "[ . 1 . 2]" 1
276 1 21 VAL HB 1 22 ALA H . . 3.260 2.506 2.294 3.290 0.030 8 0 "[ . 1 . 2]" 1
277 1 21 VAL QG 1 22 ALA H . . 6.110 2.732 1.793 3.173 . 0 0 "[ . 1 . 2]" 1
278 1 21 VAL QG 1 24 LYS QB . . 8.240 4.062 3.750 4.519 . 0 0 "[ . 1 . 2]" 1
279 1 21 VAL QG 1 24 LYS QD . . 9.460 4.831 4.364 5.532 . 0 0 "[ . 1 . 2]" 1
280 1 21 VAL QG 1 25 ARG QD . . 9.460 3.025 2.519 4.476 . 0 0 "[ . 1 . 2]" 1
281 1 21 VAL QG 1 34 ILE MG . . 9.620 5.644 5.261 5.824 . 0 0 "[ . 1 . 2]" 1
282 1 21 VAL MG1 1 22 ALA H . . 6.700 3.025 2.629 4.104 . 0 0 "[ . 1 . 2]" 1
283 1 21 VAL MG2 1 22 ALA H . . 6.700 3.708 1.796 3.997 . 0 0 "[ . 1 . 2]" 1
284 1 22 ALA H 1 23 LEU H . . 3.300 2.569 2.353 2.743 . 0 0 "[ . 1 . 2]" 1
285 1 22 ALA H 1 32 ILE MG . . 7.030 5.602 5.263 5.737 . 0 0 "[ . 1 . 2]" 1
286 1 22 ALA HA 1 25 ARG H . . 3.980 3.407 3.240 3.591 . 0 0 "[ . 1 . 2]" 1
287 1 22 ALA HA 1 25 ARG QB . . 4.320 2.522 2.175 2.969 . 0 0 "[ . 1 . 2]" 1
288 1 22 ALA HA 1 25 ARG QG . . 6.550 4.242 2.653 4.792 . 0 0 "[ . 1 . 2]" 1
289 1 22 ALA MB 1 32 ILE MD . . 8.060 2.068 1.723 3.115 . 0 0 "[ . 1 . 2]" 1
290 1 22 ALA MB 1 34 ILE MG . . 7.370 2.225 1.927 2.466 . 0 0 "[ . 1 . 2]" 1
291 1 23 LEU H 1 24 LYS H . . 3.190 2.869 2.619 3.099 . 0 0 "[ . 1 . 2]" 1
292 1 23 LEU H 1 26 TYR QB . . 6.230 4.348 3.996 4.800 . 0 0 "[ . 1 . 2]" 1
293 1 23 LEU H 1 34 ILE MD . . 7.030 5.288 4.249 5.729 . 0 0 "[ . 1 . 2]" 1
294 1 23 LEU HA 1 26 TYR H . . 3.120 3.049 2.757 3.175 0.055 16 0 "[ . 1 . 2]" 1
295 1 23 LEU HA 1 26 TYR HB2 . . 4.240 2.787 2.253 3.257 . 0 0 "[ . 1 . 2]" 1
296 1 23 LEU HA 1 26 TYR QB . . 3.910 2.225 1.904 2.576 . 0 0 "[ . 1 . 2]" 1
297 1 23 LEU HA 1 26 TYR HB3 . . 4.240 2.388 1.942 2.932 . 0 0 "[ . 1 . 2]" 1
298 1 23 LEU HA 1 26 TYR QD . . 8.140 3.987 3.084 4.563 . 0 0 "[ . 1 . 2]" 1
299 1 23 LEU HA 1 27 VAL H . . 3.980 3.817 3.466 4.094 0.114 15 0 "[ . 1 . 2]" 1
300 1 23 LEU HA 1 34 ILE MD . . 6.090 4.002 3.288 4.744 . 0 0 "[ . 1 . 2]" 1
301 1 23 LEU HA 1 47 VAL QG . . 8.120 4.830 4.383 5.576 . 0 0 "[ . 1 . 2]" 1
302 1 23 LEU QB 1 27 VAL QG . . 8.780 3.621 2.936 4.660 . 0 0 "[ . 1 . 2]" 1
303 1 23 LEU QB 1 47 VAL QG . . 9.000 3.339 2.713 4.149 . 0 0 "[ . 1 . 2]" 1
304 1 23 LEU QD 1 24 LYS H . . 7.630 3.135 1.897 3.852 . 0 0 "[ . 1 . 2]" 1
305 1 23 LEU QD 1 26 TYR H . . 6.510 4.349 3.350 4.804 . 0 0 "[ . 1 . 2]" 1
306 1 23 LEU QD 1 26 TYR QD . . 9.940 3.845 2.404 4.588 . 0 0 "[ . 1 . 2]" 1
307 1 23 LEU QD 1 26 TYR QE . . 10.730 5.000 4.110 5.751 . 0 0 "[ . 1 . 2]" 1
308 1 23 LEU QD 1 34 ILE MD . . 9.010 3.879 2.854 4.826 . 0 0 "[ . 1 . 2]" 1
309 1 23 LEU QD 1 48 ASN HA . . 8.600 3.912 3.077 4.636 . 0 0 "[ . 1 . 2]" 1
310 1 23 LEU HG 1 24 LYS H . . 4.880 4.025 2.812 4.911 0.031 13 0 "[ . 1 . 2]" 1
311 1 23 LEU HG 1 34 ILE MD . . 7.030 5.576 4.987 5.957 . 0 0 "[ . 1 . 2]" 1
312 1 23 LEU HG 1 48 ASN HA . . 6.000 5.795 4.897 6.030 0.030 5 0 "[ . 1 . 2]" 1
313 1 24 LYS H 1 24 LYS HB2 . . 2.900 2.258 2.124 2.485 . 0 0 "[ . 1 . 2]" 1
314 1 24 LYS H 1 24 LYS HB3 . . 2.900 2.703 2.457 2.875 . 0 0 "[ . 1 . 2]" 1
315 1 24 LYS H 1 25 ARG H . . 3.770 2.893 2.754 3.022 . 0 0 "[ . 1 . 2]" 1
316 1 24 LYS H 1 27 VAL QG . . 6.360 3.912 3.561 4.262 . 0 0 "[ . 1 . 2]" 1
317 1 24 LYS HA 1 27 VAL H . . 3.770 3.455 3.078 3.734 . 0 0 "[ . 1 . 2]" 1
318 1 24 LYS HA 1 27 VAL HB . . 4.060 2.986 2.222 3.951 . 0 0 "[ . 1 . 2]" 1
319 1 24 LYS HA 1 27 VAL QG . . 6.790 2.641 2.059 3.209 . 0 0 "[ . 1 . 2]" 1
320 1 24 LYS HA 1 28 LEU H . . 3.840 3.822 3.512 3.974 0.134 13 0 "[ . 1 . 2]" 1
321 1 24 LYS QB 1 25 ARG H . . 4.000 2.682 2.309 3.020 . 0 0 "[ . 1 . 2]" 1
322 1 24 LYS QG 1 25 ARG H . . 6.880 4.010 3.453 4.469 . 0 0 "[ . 1 . 2]" 1
323 1 24 LYS QG 1 26 TYR H . . 6.880 5.388 5.072 5.736 . 0 0 "[ . 1 . 2]" 1
324 1 25 ARG H 1 25 ARG HB2 . . 3.800 2.164 2.055 2.545 . 0 0 "[ . 1 . 2]" 1
325 1 25 ARG H 1 25 ARG QB . . 3.220 2.141 2.029 2.492 . 0 0 "[ . 1 . 2]" 1
326 1 25 ARG H 1 25 ARG HB3 . . 3.800 3.416 3.130 3.555 . 0 0 "[ . 1 . 2]" 1
327 1 25 ARG H 1 26 TYR H . . 3.340 2.557 2.285 2.684 . 0 0 "[ . 1 . 2]" 1
328 1 25 ARG H 1 32 ILE MG . . 6.600 4.390 3.655 5.170 . 0 0 "[ . 1 . 2]" 1
329 1 25 ARG HA 1 26 TYR H . . 3.480 3.571 3.527 3.627 0.147 17 0 "[ . 1 . 2]" 1
330 1 25 ARG HA 1 28 LEU H . . 3.840 3.604 3.160 3.897 0.057 1 0 "[ . 1 . 2]" 1
331 1 25 ARG HA 1 28 LEU QB . . 4.720 2.794 2.198 3.438 . 0 0 "[ . 1 . 2]" 1
332 1 25 ARG QB 1 26 TYR H . . 4.140 2.820 2.577 2.994 . 0 0 "[ . 1 . 2]" 1
333 1 25 ARG QG 1 29 ARG QG . . 7.750 5.022 3.645 6.194 . 0 0 "[ . 1 . 2]" 1
334 1 26 TYR H 1 26 TYR HB2 . . 3.010 2.268 2.058 2.496 . 0 0 "[ . 1 . 2]" 1
335 1 26 TYR H 1 26 TYR HB3 . . 3.010 2.423 2.172 2.614 . 0 0 "[ . 1 . 2]" 1
336 1 26 TYR H 1 27 VAL H . . 3.120 2.564 2.320 2.861 . 0 0 "[ . 1 . 2]" 1
337 1 26 TYR H 1 27 VAL HB . . 5.060 4.797 4.242 5.394 0.334 15 0 "[ . 1 . 2]" 1
338 1 26 TYR H 1 34 ILE MD . . 7.030 5.345 4.449 5.778 . 0 0 "[ . 1 . 2]" 1
339 1 26 TYR H 1 34 ILE MG . . 7.030 5.071 4.457 5.726 . 0 0 "[ . 1 . 2]" 1
340 1 26 TYR HA 1 29 ARG H . . 3.800 3.482 3.196 3.912 0.112 2 0 "[ . 1 . 2]" 1
341 1 26 TYR HA 1 29 ARG QD . . 4.500 4.097 3.677 4.228 . 0 0 "[ . 1 . 2]" 1
342 1 26 TYR HA 1 32 ILE QG . . 6.880 4.402 2.567 6.166 . 0 0 "[ . 1 . 2]" 1
343 1 26 TYR HA 1 34 ILE MD . . 6.780 5.310 4.424 5.721 . 0 0 "[ . 1 . 2]" 1
344 1 26 TYR QB 1 27 VAL H . . 3.760 2.428 1.944 2.901 . 0 0 "[ . 1 . 2]" 1
345 1 26 TYR QB 1 27 VAL HB . . 6.880 4.553 3.634 4.885 . 0 0 "[ . 1 . 2]" 1
346 1 26 TYR QB 1 32 ILE MD . . 5.740 3.032 1.919 3.820 . 0 0 "[ . 1 . 2]" 1
347 1 26 TYR QB 1 32 ILE QG . . 7.750 4.051 2.718 5.401 . 0 0 "[ . 1 . 2]" 1
348 1 26 TYR QB 1 34 ILE MD . . 6.300 3.331 2.441 3.864 . 0 0 "[ . 1 . 2]" 1
349 1 26 TYR QB 1 34 ILE MG . . 6.350 3.584 2.854 4.155 . 0 0 "[ . 1 . 2]" 1
350 1 26 TYR HB2 1 27 VAL H . . 4.340 3.711 3.393 4.144 . 0 0 "[ . 1 . 2]" 1
351 1 26 TYR HB2 1 32 ILE MD . . 6.020 3.095 1.929 3.978 . 0 0 "[ . 1 . 2]" 1
352 1 26 TYR HB2 1 34 ILE MD . . 6.420 3.530 2.505 4.079 . 0 0 "[ . 1 . 2]" 1
353 1 26 TYR HB2 1 34 ILE QG . . 6.880 4.052 3.096 4.973 . 0 0 "[ . 1 . 2]" 1
354 1 26 TYR HB2 1 34 ILE MG . . 6.990 3.681 2.924 4.280 . 0 0 "[ . 1 . 2]" 1
355 1 26 TYR HB3 1 27 VAL H . . 4.340 2.464 1.955 2.962 . 0 0 "[ . 1 . 2]" 1
356 1 26 TYR HB3 1 32 ILE MD . . 6.020 4.458 3.451 5.021 . 0 0 "[ . 1 . 2]" 1
357 1 26 TYR HB3 1 34 ILE MD . . 6.420 4.104 3.376 4.784 . 0 0 "[ . 1 . 2]" 1
358 1 26 TYR HB3 1 34 ILE QG . . 6.880 5.168 4.256 6.061 . 0 0 "[ . 1 . 2]" 1
359 1 26 TYR HB3 1 34 ILE MG . . 6.990 4.931 3.979 5.619 . 0 0 "[ . 1 . 2]" 1
360 1 26 TYR QD 1 27 VAL H . . 8.140 3.629 2.958 4.183 . 0 0 "[ . 1 . 2]" 1
361 1 26 TYR QD 1 27 VAL HA . . 8.140 3.286 2.727 4.465 . 0 0 "[ . 1 . 2]" 1
362 1 26 TYR QD 1 27 VAL MG1 . . 8.920 4.727 4.341 5.032 . 0 0 "[ . 1 . 2]" 1
363 1 26 TYR QD 1 27 VAL MG2 . . 8.920 3.214 2.506 3.915 . 0 0 "[ . 1 . 2]" 1
364 1 26 TYR QD 1 32 ILE HB . . 8.140 5.350 4.287 6.412 . 0 0 "[ . 1 . 2]" 1
365 1 26 TYR QD 1 32 ILE QG . . 9.020 4.098 2.319 5.508 . 0 0 "[ . 1 . 2]" 1
366 1 26 TYR QD 1 33 SER HA . . 8.140 5.390 4.477 6.378 . 0 0 "[ . 1 . 2]" 1
367 1 26 TYR QD 1 34 ILE MD . . 9.170 2.717 1.907 3.556 . 0 0 "[ . 1 . 2]" 1
368 1 26 TYR QD 1 34 ILE QG . . 9.020 2.424 1.970 3.948 . 0 0 "[ . 1 . 2]" 1
369 1 26 TYR QD 1 34 ILE MG . . 9.130 3.223 2.231 4.382 . 0 0 "[ . 1 . 2]" 1
370 1 26 TYR QD 1 39 ALA MB . . 9.170 5.558 5.092 6.216 . 0 0 "[ . 1 . 2]" 1
371 1 26 TYR QD 1 40 ASP QB . . 8.300 6.587 6.053 6.957 . 0 0 "[ . 1 . 2]" 1
372 1 26 TYR QD 1 46 ARG HA . . 8.140 6.200 5.173 6.872 . 0 0 "[ . 1 . 2]" 1
373 1 26 TYR QD 1 47 VAL QG . . 10.260 5.821 5.242 6.167 . 0 0 "[ . 1 . 2]" 1
374 1 26 TYR QE 1 27 VAL HA . . 8.130 5.031 4.538 5.767 . 0 0 "[ . 1 . 2]" 1
375 1 26 TYR QE 1 27 VAL MG1 . . 9.160 6.069 5.515 6.608 . 0 0 "[ . 1 . 2]" 1
376 1 26 TYR QE 1 27 VAL MG2 . . 9.160 4.952 4.229 5.661 . 0 0 "[ . 1 . 2]" 1
377 1 26 TYR QE 1 33 SER HA . . 8.130 5.489 4.412 6.609 . 0 0 "[ . 1 . 2]" 1
378 1 26 TYR QE 1 34 ILE HA . . 8.130 6.259 5.410 7.394 . 0 0 "[ . 1 . 2]" 1
379 1 26 TYR QE 1 34 ILE MD . . 9.160 2.874 1.927 3.599 . 0 0 "[ . 1 . 2]" 1
380 1 26 TYR QE 1 34 ILE QG . . 9.010 2.580 1.858 3.749 . 0 0 "[ . 1 . 2]" 1
381 1 26 TYR QE 1 34 ILE MG . . 9.160 4.376 3.731 5.130 . 0 0 "[ . 1 . 2]" 1
382 1 26 TYR QE 1 36 THR HB . . 8.130 2.661 2.005 3.956 . 0 0 "[ . 1 . 2]" 1
383 1 26 TYR QE 1 36 THR MG . . 9.160 3.257 1.949 4.638 . 0 0 "[ . 1 . 2]" 1
384 1 26 TYR QE 1 39 ALA MB . . 9.160 4.737 4.214 5.593 . 0 0 "[ . 1 . 2]" 1
385 1 26 TYR QE 1 46 ARG HA . . 8.130 5.651 4.605 6.328 . 0 0 "[ . 1 . 2]" 1
386 1 26 TYR QE 1 47 VAL QG . . 9.890 6.434 5.908 6.773 . 0 0 "[ . 1 . 2]" 1
387 1 27 VAL H 1 27 VAL HB . . 3.300 2.513 2.081 2.878 . 0 0 "[ . 1 . 2]" 1
388 1 27 VAL H 1 28 LEU H . . 3.160 2.618 2.239 2.877 . 0 0 "[ . 1 . 2]" 1
389 1 27 VAL HA 1 28 LEU HA . . 4.600 4.773 4.615 4.917 0.317 19 0 "[ . 1 . 2]" 1
390 1 27 VAL HA 1 28 LEU QD . . 8.600 5.510 4.451 6.019 . 0 0 "[ . 1 . 2]" 1
391 1 27 VAL HA 1 29 ARG H . . 4.810 4.356 3.772 4.870 0.060 2 0 "[ . 1 . 2]" 1
392 1 27 VAL HB 1 28 LEU H . . 3.590 2.674 2.303 3.652 0.062 3 0 "[ . 1 . 2]" 1
393 1 27 VAL HB 1 29 ARG H . . 5.890 5.008 4.544 5.588 . 0 0 "[ . 1 . 2]" 1
394 1 27 VAL QG 1 28 LEU H . . 6.900 3.143 2.156 3.375 . 0 0 "[ . 1 . 2]" 1
395 1 27 VAL QG 1 45 GLY QA . . 9.460 4.803 3.800 5.642 . 0 0 "[ . 1 . 2]" 1
396 1 27 VAL QG 1 48 ASN HA . . 5.010 3.625 2.782 3.819 . 0 0 "[ . 1 . 2]" 1
397 1 27 VAL QG 1 48 ASN QB . . 7.750 4.558 3.880 5.059 . 0 0 "[ . 1 . 2]" 1
398 1 27 VAL MG1 1 48 ASN HA . . 5.340 4.309 4.066 4.437 . 0 0 "[ . 1 . 2]" 1
399 1 27 VAL MG1 1 48 ASN HB2 . . 8.780 6.000 5.029 6.719 . 0 0 "[ . 1 . 2]" 1
400 1 27 VAL MG1 1 48 ASN HB3 . . 8.780 5.661 4.808 6.430 . 0 0 "[ . 1 . 2]" 1
401 1 27 VAL MG2 1 48 ASN HA . . 5.340 3.949 2.812 4.283 . 0 0 "[ . 1 . 2]" 1
402 1 27 VAL MG2 1 48 ASN HB2 . . 8.780 5.966 4.545 6.669 . 0 0 "[ . 1 . 2]" 1
403 1 27 VAL MG2 1 48 ASN HB3 . . 8.780 5.744 4.367 6.784 . 0 0 "[ . 1 . 2]" 1
404 1 28 LEU H 1 28 LEU HG . . 4.310 4.011 2.555 4.411 0.101 2 0 "[ . 1 . 2]" 1
405 1 28 LEU HA 1 29 ARG H . . 3.480 3.578 3.303 3.637 0.157 19 0 "[ . 1 . 2]" 1
406 1 28 LEU HA 1 29 ARG QG . . 6.880 5.250 3.753 6.309 . 0 0 "[ . 1 . 2]" 1
407 1 28 LEU QB 1 29 ARG H . . 5.650 2.787 2.479 3.502 . 0 0 "[ . 1 . 2]" 1
408 1 28 LEU QD 1 29 ARG H . . 8.600 3.962 3.372 4.340 . 0 0 "[ . 1 . 2]" 1
409 1 31 GLY QA 1 32 ILE QG . . 6.380 4.822 3.963 5.512 . 0 0 "[ . 1 . 2]" 1
410 1 32 ILE H 1 32 ILE HA . . 2.720 2.806 2.782 2.940 0.220 18 0 "[ . 1 . 2]" 1
411 1 32 ILE H 1 32 ILE HB . . 3.770 2.984 2.272 3.636 . 0 0 "[ . 1 . 2]" 1
412 1 32 ILE H 1 32 ILE MD . . 5.370 3.776 1.790 4.541 . 0 0 "[ . 1 . 2]" 1
413 1 32 ILE HA 1 33 SER H . . 3.550 2.458 2.318 2.658 . 0 0 "[ . 1 . 2]" 1
414 1 32 ILE HB 1 33 SER H . . 4.340 3.219 2.145 4.156 . 0 0 "[ . 1 . 2]" 1
415 1 32 ILE MD 1 33 SER H . . 7.030 3.467 2.330 4.193 . 0 0 "[ . 1 . 2]" 1
416 1 32 ILE MD 1 33 SER QB . . 7.540 4.841 3.604 5.580 . 0 0 "[ . 1 . 2]" 1
417 1 32 ILE MD 1 34 ILE HA . . 7.030 4.889 3.521 5.842 . 0 0 "[ . 1 . 2]" 1
418 1 32 ILE MD 1 34 ILE MG . . 6.800 2.282 1.600 3.293 . 0 0 "[ . 1 . 2]" 1
419 1 32 ILE QG 1 33 SER H . . 6.880 2.954 1.837 4.389 . 0 0 "[ . 1 . 2]" 1
420 1 32 ILE QG 1 34 ILE H . . 6.880 5.047 3.928 5.917 . 0 0 "[ . 1 . 2]" 1
421 1 32 ILE QG 1 34 ILE MG . . 7.900 2.966 1.915 3.633 . 0 0 "[ . 1 . 2]" 1
422 1 32 ILE MG 1 33 SER H . . 6.990 3.562 3.278 3.849 . 0 0 "[ . 1 . 2]" 1
423 1 33 SER HA 1 34 ILE H . . 2.870 2.226 2.216 2.305 . 0 0 "[ . 1 . 2]" 1
424 1 33 SER HA 1 34 ILE QG . . 6.880 4.009 3.699 4.345 . 0 0 "[ . 1 . 2]" 1
425 1 33 SER HA 1 34 ILE MG . . 7.030 3.593 3.387 3.932 . 0 0 "[ . 1 . 2]" 1
426 1 34 ILE H 1 36 THR MG . . 7.030 3.892 3.129 4.770 . 0 0 "[ . 1 . 2]" 1
427 1 34 ILE HA 1 35 ASN H . . 3.230 2.531 2.339 2.672 . 0 0 "[ . 1 . 2]" 1
428 1 34 ILE HA 1 36 THR H . . 6.000 4.514 4.207 4.843 . 0 0 "[ . 1 . 2]" 1
429 1 34 ILE HB 1 35 ASN H . . 3.010 2.417 2.100 2.871 . 0 0 "[ . 1 . 2]" 1
430 1 34 ILE MD 1 35 ASN H . . 7.030 3.493 3.000 3.934 . 0 0 "[ . 1 . 2]" 1
431 1 34 ILE MD 1 35 ASN QD . . 7.350 4.039 2.290 5.787 . 0 0 "[ . 1 . 2]" 1
432 1 34 ILE MD 1 36 THR H . . 7.030 3.418 2.666 4.346 . 0 0 "[ . 1 . 2]" 1
433 1 34 ILE MD 1 36 THR HB . . 5.410 2.609 1.841 3.756 . 0 0 "[ . 1 . 2]" 1
434 1 34 ILE MD 1 36 THR MG . . 7.260 3.871 3.289 4.644 . 0 0 "[ . 1 . 2]" 1
435 1 34 ILE MD 1 39 ALA H . . 7.030 5.273 4.790 5.758 . 0 0 "[ . 1 . 2]" 1
436 1 34 ILE MD 1 39 ALA HA . . 7.030 5.116 4.200 5.783 . 0 0 "[ . 1 . 2]" 1
437 1 34 ILE MD 1 40 ASP H . . 7.030 5.272 4.665 5.855 . 0 0 "[ . 1 . 2]" 1
438 1 34 ILE QG 1 35 ASN H . . 6.880 3.425 3.063 3.736 . 0 0 "[ . 1 . 2]" 1
439 1 34 ILE QG 1 36 THR H . . 6.880 2.412 1.943 3.026 . 0 0 "[ . 1 . 2]" 1
440 1 34 ILE QG 1 36 THR HB . . 6.880 2.454 1.935 2.835 . 0 0 "[ . 1 . 2]" 1
441 1 34 ILE QG 1 36 THR MG . . 7.900 3.119 2.577 3.534 . 0 0 "[ . 1 . 2]" 1
442 1 34 ILE MG 1 35 ASN H . . 5.700 3.815 3.569 4.097 . 0 0 "[ . 1 . 2]" 1
443 1 34 ILE MG 1 36 THR H . . 6.630 4.912 4.558 5.344 . 0 0 "[ . 1 . 2]" 1
444 1 34 ILE MG 1 36 THR HA . . 7.030 5.780 5.542 6.051 . 0 0 "[ . 1 . 2]" 1
445 1 34 ILE MG 1 36 THR HB . . 6.090 4.981 4.522 5.244 . 0 0 "[ . 1 . 2]" 1
446 1 34 ILE MG 1 36 THR MG . . 7.590 5.159 4.878 5.321 . 0 0 "[ . 1 . 2]" 1
447 1 35 ASN H 1 35 ASN HB2 . . 3.550 2.962 2.620 3.579 0.029 16 0 "[ . 1 . 2]" 1
448 1 35 ASN H 1 35 ASN QB . . 3.330 2.592 2.327 2.745 . 0 0 "[ . 1 . 2]" 1
449 1 35 ASN H 1 35 ASN HB3 . . 3.550 3.277 2.359 3.681 0.131 2 0 "[ . 1 . 2]" 1
450 1 35 ASN H 1 35 ASN QD . . 3.660 2.043 1.744 3.395 . 0 0 "[ . 1 . 2]" 1
451 1 35 ASN H 1 36 THR H . . 4.270 3.522 3.191 3.936 . 0 0 "[ . 1 . 2]" 1
452 1 35 ASN HA 1 36 THR H . . 2.980 2.672 2.484 2.863 . 0 0 "[ . 1 . 2]" 1
453 1 35 ASN HA 1 37 ASP H . . 4.520 3.049 2.914 3.177 . 0 0 "[ . 1 . 2]" 1
454 1 35 ASN QB 1 37 ASP H . . 6.370 3.640 3.226 3.990 . 0 0 "[ . 1 . 2]" 1
455 1 35 ASN QB 1 38 ASN H . . 5.180 3.606 3.112 3.972 . 0 0 "[ . 1 . 2]" 1
456 1 35 ASN QB 1 38 ASN QB . . 7.640 5.010 3.049 5.788 . 0 0 "[ . 1 . 2]" 1
457 1 35 ASN QB 1 38 ASN QD . . 7.740 4.018 2.761 4.782 . 0 0 "[ . 1 . 2]" 1
458 1 35 ASN HB2 1 36 THR H . . 5.100 4.443 4.312 4.631 . 0 0 "[ . 1 . 2]" 1
459 1 35 ASN HB3 1 36 THR H . . 5.100 4.529 4.360 4.658 . 0 0 "[ . 1 . 2]" 1
460 1 36 THR H 1 36 THR HB . . 3.520 2.519 2.318 2.726 . 0 0 "[ . 1 . 2]" 1
461 1 36 THR H 1 36 THR MG . . 4.720 2.128 1.922 2.481 . 0 0 "[ . 1 . 2]" 1
462 1 36 THR H 1 39 ALA MB . . 7.030 3.809 3.383 4.240 . 0 0 "[ . 1 . 2]" 1
463 1 36 THR HA 1 36 THR HB . . 2.940 2.469 2.365 2.632 . 0 0 "[ . 1 . 2]" 1
464 1 36 THR HB 1 37 ASP H . . 4.270 4.348 4.212 4.539 0.269 12 0 "[ . 1 . 2]" 1
465 1 36 THR HB 1 39 ALA MB . . 4.180 3.652 3.555 3.820 . 0 0 "[ . 1 . 2]" 1
466 1 36 THR MG 1 37 ASP H . . 7.030 2.604 2.079 3.492 . 0 0 "[ . 1 . 2]" 1
467 1 37 ASP H 1 37 ASP HB2 . . 3.770 2.146 2.029 2.262 . 0 0 "[ . 1 . 2]" 1
468 1 37 ASP H 1 37 ASP QB . . 3.330 2.125 2.012 2.236 . 0 0 "[ . 1 . 2]" 1
469 1 37 ASP H 1 37 ASP HB3 . . 3.770 3.436 3.315 3.518 . 0 0 "[ . 1 . 2]" 1
470 1 37 ASP H 1 38 ASN H . . 3.550 3.096 2.261 3.342 . 0 0 "[ . 1 . 2]" 1
471 1 37 ASP HA 1 39 ALA H . . 4.700 4.312 3.841 4.760 0.060 3 0 "[ . 1 . 2]" 1
472 1 38 ASN H 1 38 ASN QB . . 3.830 2.904 2.069 3.107 . 0 0 "[ . 1 . 2]" 1
473 1 38 ASN H 1 39 ALA HA . . 5.170 4.554 4.338 5.098 . 0 0 "[ . 1 . 2]" 1
474 1 38 ASN H 1 39 ALA MB . . 7.030 3.841 3.454 4.243 . 0 0 "[ . 1 . 2]" 1
475 1 38 ASN H 1 41 LEU QD . . 8.600 5.364 4.542 6.065 . 0 0 "[ . 1 . 2]" 1
476 1 38 ASN HB2 1 39 ALA H . . 5.030 4.365 3.718 4.711 . 0 0 "[ . 1 . 2]" 1
477 1 38 ASN HB3 1 39 ALA H . . 5.030 4.578 3.084 4.746 . 0 0 "[ . 1 . 2]" 1
478 1 39 ALA H 1 41 LEU MD1 . . 7.030 4.835 3.560 5.883 . 0 0 "[ . 1 . 2]" 1
479 1 39 ALA H 1 41 LEU QD . . 6.280 4.191 3.522 4.663 . 0 0 "[ . 1 . 2]" 1
480 1 39 ALA H 1 41 LEU MD2 . . 7.030 4.984 3.719 5.845 . 0 0 "[ . 1 . 2]" 1
481 1 39 ALA H 1 46 ARG QG . . 6.880 5.351 4.749 6.167 . 0 0 "[ . 1 . 2]" 1
482 1 39 ALA HA 1 41 LEU QD . . 6.690 3.702 2.891 4.777 . 0 0 "[ . 1 . 2]" 1
483 1 40 ASP CG 3 1 CA CA . . 4.000 3.787 2.370 4.326 0.326 17 0 "[ . 1 . 2]" 1
484 1 40 ASP H 1 40 ASP HB2 . . 3.520 2.699 2.231 3.241 . 0 0 "[ . 1 . 2]" 1
485 1 40 ASP H 1 40 ASP QB . . 3.330 2.178 2.036 2.411 . 0 0 "[ . 1 . 2]" 1
486 1 40 ASP H 1 40 ASP HB3 . . 3.520 2.385 2.075 2.766 . 0 0 "[ . 1 . 2]" 1
487 1 40 ASP H 1 41 LEU H . . 4.880 4.567 4.122 4.663 . 0 0 "[ . 1 . 2]" 1
488 1 40 ASP H 1 41 LEU QD . . 7.050 3.882 2.747 4.769 . 0 0 "[ . 1 . 2]" 1
489 1 40 ASP H 1 41 LEU HG . . 5.860 5.578 4.270 7.354 1.494 7 7 "[ *-+ *1 * * * 2]" 1
490 1 40 ASP H 1 46 ARG QG . . 6.880 4.239 3.466 5.786 . 0 0 "[ . 1 . 2]" 1
491 1 40 ASP H 1 55 LEU HG . . 6.000 8.558 7.435 9.970 3.970 1 20 [+***********-*******] 1
492 1 40 ASP HA 1 41 LEU H . . 3.120 2.383 2.255 2.766 . 0 0 "[ . 1 . 2]" 1
493 1 40 ASP HA 1 41 LEU HG . . 6.000 4.683 3.121 6.386 0.386 7 0 "[ . 1 . 2]" 1
494 1 40 ASP QB 1 43 GLU H . . 5.800 3.899 2.589 4.515 . 0 0 "[ . 1 . 2]" 1
495 1 40 ASP HB2 1 41 LEU H . . 5.140 4.024 3.573 4.605 . 0 0 "[ . 1 . 2]" 1
496 1 40 ASP HB3 1 41 LEU H . . 5.140 4.031 2.748 4.483 . 0 0 "[ . 1 . 2]" 1
497 1 41 LEU H 1 42 ASN H . . 3.300 2.050 1.842 3.152 . 0 0 "[ . 1 . 2]" 1
498 1 41 LEU H 1 51 ASP HB2 . . 6.000 5.513 4.578 6.038 0.038 14 0 "[ . 1 . 2]" 1
499 1 41 LEU H 1 51 ASP QB . . 5.420 4.693 4.279 4.985 . 0 0 "[ . 1 . 2]" 1
500 1 41 LEU H 1 51 ASP HB3 . . 6.000 5.184 4.438 5.795 . 0 0 "[ . 1 . 2]" 1
501 1 41 LEU H 1 55 LEU QD . . 8.420 4.876 4.065 6.066 . 0 0 "[ . 1 . 2]" 1
502 1 41 LEU HA 1 41 LEU HG . . 3.910 3.190 2.440 3.794 . 0 0 "[ . 1 . 2]" 1
503 1 41 LEU HA 1 43 GLU H . . 4.240 3.716 3.329 4.161 . 0 0 "[ . 1 . 2]" 1
504 1 41 LEU HA 1 66 LEU QD . . 8.600 5.592 4.653 6.290 . 0 0 "[ . 1 . 2]" 1
505 1 41 LEU QB 1 42 ASN H . . 5.290 3.414 2.492 3.990 . 0 0 "[ . 1 . 2]" 1
506 1 41 LEU QB 1 51 ASP HA . . 6.880 5.688 4.866 6.105 . 0 0 "[ . 1 . 2]" 1
507 1 41 LEU QB 1 66 LEU QD . . 8.790 3.518 2.484 4.049 . 0 0 "[ . 1 . 2]" 1
508 1 41 LEU QD 1 51 ASP HA . . 8.600 5.350 4.616 6.354 . 0 0 "[ . 1 . 2]" 1
509 1 41 LEU QD 1 51 ASP QB . . 9.470 4.326 3.054 5.500 . 0 0 "[ . 1 . 2]" 1
510 1 41 LEU QD 1 58 TYR QE . . 10.730 4.272 3.399 5.600 . 0 0 "[ . 1 . 2]" 1
511 1 42 ASN H 1 43 GLU H . . 2.870 2.101 1.601 2.632 . 0 0 "[ . 1 . 2]" 1
512 1 42 ASN QB 1 50 THR H . . 6.880 6.020 5.535 6.205 . 0 0 "[ . 1 . 2]" 1
513 1 42 ASN QD 1 50 THR MG . . 6.190 3.377 2.304 4.164 . 0 0 "[ . 1 . 2]" 1
514 1 42 ASN HD21 1 50 THR MG . . 7.030 3.846 2.526 5.565 . 0 0 "[ . 1 . 2]" 1
515 1 42 ASN HD22 1 50 THR MG . . 7.030 3.908 2.657 5.037 . 0 0 "[ . 1 . 2]" 1
516 1 42 ASN OD1 3 1 CA CA . . 2.800 2.722 1.992 2.860 0.060 11 0 "[ . 1 . 2]" 1
517 1 43 GLU H 1 43 GLU HA . . 2.690 2.179 2.170 2.212 . 0 0 "[ . 1 . 2]" 1
518 1 43 GLU H 1 43 GLU HB2 . . 4.090 3.264 2.945 3.568 . 0 0 "[ . 1 . 2]" 1
519 1 43 GLU H 1 43 GLU HB3 . . 4.090 4.016 3.897 4.099 0.009 14 0 "[ . 1 . 2]" 1
520 1 43 GLU H 1 44 ASP H . . 3.480 2.653 2.291 2.928 . 0 0 "[ . 1 . 2]" 1
521 1 43 GLU H 1 45 GLY H . . 6.000 4.000 3.542 4.377 . 0 0 "[ . 1 . 2]" 1
522 1 43 GLU HA 1 44 ASP H . . 3.440 2.801 2.700 2.913 . 0 0 "[ . 1 . 2]" 1
523 1 43 GLU HA 1 45 GLY H . . 3.800 3.932 3.764 4.019 0.219 11 0 "[ . 1 . 2]" 1
524 1 43 GLU QB 1 45 GLY H . . 6.880 5.384 5.278 5.506 . 0 0 "[ . 1 . 2]" 1
525 1 43 GLU QG 1 44 ASP H . . 6.880 4.494 4.321 4.597 . 0 0 "[ . 1 . 2]" 1
526 1 44 ASP CG 3 1 CA CA . . 4.000 3.372 2.292 3.947 . 0 0 "[ . 1 . 2]" 1
527 1 44 ASP H 1 44 ASP QB . . 3.890 2.765 2.518 2.994 . 0 0 "[ . 1 . 2]" 1
528 1 44 ASP H 1 45 GLY H . . 2.980 1.857 1.773 1.906 . 0 0 "[ . 1 . 2]" 1
529 1 44 ASP H 1 45 GLY QA . . 6.410 3.876 3.746 3.950 . 0 0 "[ . 1 . 2]" 1
530 1 44 ASP QB 1 48 ASN HA . . 5.360 4.652 4.040 4.948 . 0 0 "[ . 1 . 2]" 1
531 1 45 GLY H 1 46 ARG H . . 3.160 3.112 2.742 3.264 0.104 19 0 "[ . 1 . 2]" 1
532 1 45 GLY H 1 46 ARG QB . . 6.340 5.321 5.002 5.567 . 0 0 "[ . 1 . 2]" 1
533 1 45 GLY QA 1 47 VAL QG . . 9.000 5.521 5.158 5.843 . 0 0 "[ . 1 . 2]" 1
534 1 46 ARG H 1 46 ARG HB2 . . 3.950 2.919 2.677 3.694 . 0 0 "[ . 1 . 2]" 1
535 1 46 ARG H 1 46 ARG QB . . 3.510 2.822 2.624 3.359 . 0 0 "[ . 1 . 2]" 1
536 1 46 ARG H 1 46 ARG HB3 . . 3.950 3.821 3.726 3.981 0.031 2 0 "[ . 1 . 2]" 1
537 1 46 ARG QB 1 47 VAL QG . . 7.740 2.386 2.033 3.014 . 0 0 "[ . 1 . 2]" 1
538 1 46 ARG QB 1 48 ASN QD . . 7.740 5.213 3.823 6.168 . 0 0 "[ . 1 . 2]" 1
539 1 46 ARG QG 1 47 VAL QG . . 8.490 3.838 3.023 4.658 . 0 0 "[ . 1 . 2]" 1
540 1 46 ARG O 3 1 CA CA . . 2.800 2.878 2.819 2.959 0.159 19 0 "[ . 1 . 2]" 1
541 1 47 VAL HA 1 48 ASN H . . 2.830 2.314 2.185 2.462 . 0 0 "[ . 1 . 2]" 1
542 1 47 VAL HA 1 51 ASP H . . 4.990 3.575 3.067 4.014 . 0 0 "[ . 1 . 2]" 1
543 1 47 VAL QG 1 48 ASN H . . 7.110 3.658 3.062 3.811 . 0 0 "[ . 1 . 2]" 1
544 1 47 VAL QG 1 48 ASN HA . . 8.120 4.066 3.572 4.346 . 0 0 "[ . 1 . 2]" 1
545 1 47 VAL QG 1 56 LYS QB . . 7.630 5.040 4.455 5.612 . 0 0 "[ . 1 . 2]" 1
546 1 48 ASN H 1 48 ASN QB . . 3.760 2.290 2.001 2.870 . 0 0 "[ . 1 . 2]" 1
547 1 48 ASN H 1 50 THR HB . . 6.000 5.098 4.708 5.898 . 0 0 "[ . 1 . 2]" 1
548 1 48 ASN H 1 51 ASP H . . 3.620 3.420 2.729 3.676 0.056 1 0 "[ . 1 . 2]" 1
549 1 48 ASN H 1 52 LEU H . . 5.780 3.987 3.108 4.509 . 0 0 "[ . 1 . 2]" 1
550 1 48 ASN HA 1 50 THR H . . 5.170 5.188 5.007 5.413 0.243 4 0 "[ . 1 . 2]" 1
551 1 48 ASN QD 1 49 SER HA . . 6.870 5.969 4.892 6.546 . 0 0 "[ . 1 . 2]" 1
552 1 48 ASN QD 1 51 ASP QB . . 7.060 4.579 2.989 5.387 . 0 0 "[ . 1 . 2]" 1
553 1 49 SER H 1 50 THR HB . . 4.020 3.901 3.688 4.121 0.101 13 0 "[ . 1 . 2]" 1
554 1 50 THR H 1 50 THR HB . . 3.770 2.253 2.164 2.367 . 0 0 "[ . 1 . 2]" 1
555 1 50 THR H 1 51 ASP H . . 3.800 2.395 2.113 2.644 . 0 0 "[ . 1 . 2]" 1
556 1 50 THR HA 1 53 GLY H . . 4.630 3.809 3.373 4.480 . 0 0 "[ . 1 . 2]" 1
557 1 50 THR HB 1 51 ASP H . . 3.910 2.874 2.405 3.623 . 0 0 "[ . 1 . 2]" 1
558 1 50 THR MG 1 51 ASP H . . 5.980 3.458 2.088 4.003 . 0 0 "[ . 1 . 2]" 1
559 1 51 ASP H 1 51 ASP HB2 . . 3.620 2.461 2.005 3.014 . 0 0 "[ . 1 . 2]" 1
560 1 51 ASP H 1 51 ASP QB . . 3.280 2.367 1.984 2.844 . 0 0 "[ . 1 . 2]" 1
561 1 51 ASP H 1 51 ASP HB3 . . 3.620 3.304 2.444 3.559 . 0 0 "[ . 1 . 2]" 1
562 1 51 ASP H 1 52 LEU H . . 3.190 2.569 2.200 3.093 . 0 0 "[ . 1 . 2]" 1
563 1 51 ASP H 1 52 LEU QB . . 5.900 4.216 3.798 5.264 . 0 0 "[ . 1 . 2]" 1
564 1 51 ASP H 1 55 LEU QD . . 8.350 4.656 4.069 5.313 . 0 0 "[ . 1 . 2]" 1
565 1 51 ASP HA 1 54 ILE H . . 4.340 3.580 3.113 3.992 . 0 0 "[ . 1 . 2]" 1
566 1 51 ASP HA 1 54 ILE HB . . 3.730 3.088 2.224 3.817 0.087 12 0 "[ . 1 . 2]" 1
567 1 51 ASP HA 1 54 ILE MG . . 7.030 3.194 2.416 4.207 . 0 0 "[ . 1 . 2]" 1
568 1 51 ASP QB 1 52 LEU H . . 3.590 2.553 2.103 2.961 . 0 0 "[ . 1 . 2]" 1
569 1 51 ASP QB 1 52 LEU QD . . 9.470 4.693 3.853 5.178 . 0 0 "[ . 1 . 2]" 1
570 1 51 ASP QB 1 55 LEU QD . . 8.360 2.414 1.776 3.825 . 0 0 "[ . 1 . 2]" 1
571 1 51 ASP HB2 1 52 LEU H . . 3.980 2.872 2.125 3.995 0.015 20 0 "[ . 1 . 2]" 1
572 1 51 ASP HB3 1 52 LEU H . . 3.980 3.313 2.288 4.070 0.090 8 0 "[ . 1 . 2]" 1
573 1 51 ASP OD1 3 1 CA CA . . 2.800 2.741 2.117 2.920 0.120 19 0 "[ . 1 . 2]" 1
574 1 51 ASP OD2 3 1 CA CA . . 2.800 2.700 2.080 2.849 0.049 15 0 "[ . 1 . 2]" 1
575 1 52 LEU H 1 52 LEU HB2 . . 4.020 2.923 2.002 3.552 . 0 0 "[ . 1 . 2]" 1
576 1 52 LEU H 1 52 LEU QB . . 3.400 2.050 1.959 2.514 . 0 0 "[ . 1 . 2]" 1
577 1 52 LEU H 1 52 LEU HB3 . . 4.020 2.338 1.977 3.161 . 0 0 "[ . 1 . 2]" 1
578 1 52 LEU H 1 52 LEU HG . . 3.550 3.600 2.011 4.044 0.494 11 0 "[ . 1 . 2]" 1
579 1 52 LEU H 1 53 GLY H . . 3.190 3.004 2.804 3.169 . 0 0 "[ . 1 . 2]" 1
580 1 52 LEU H 1 54 ILE QG . . 5.980 7.058 5.977 7.842 1.862 12 18 "[**-*** ****+****** *]" 1
581 1 52 LEU H 1 55 LEU QD . . 7.010 3.924 3.050 4.926 . 0 0 "[ . 1 . 2]" 1
582 1 52 LEU HA 1 52 LEU HG . . 4.160 3.332 2.084 4.217 0.057 13 0 "[ . 1 . 2]" 1
583 1 52 LEU HA 1 55 LEU H . . 3.840 3.575 2.849 3.915 0.075 12 0 "[ . 1 . 2]" 1
584 1 52 LEU HA 1 55 LEU QB . . 5.260 2.344 1.975 2.822 . 0 0 "[ . 1 . 2]" 1
585 1 52 LEU HA 1 56 LYS H . . 4.850 3.616 3.173 4.061 . 0 0 "[ . 1 . 2]" 1
586 1 52 LEU QB 1 53 GLY H . . 3.580 2.959 2.237 3.476 . 0 0 "[ . 1 . 2]" 1
587 1 52 LEU HB2 1 53 GLY H . . 4.090 3.870 3.188 4.235 0.145 11 0 "[ . 1 . 2]" 1
588 1 52 LEU HB3 1 53 GLY H . . 4.090 3.125 2.268 4.063 . 0 0 "[ . 1 . 2]" 1
589 1 52 LEU QD 1 55 LEU QB . . 9.470 3.883 3.352 4.660 . 0 0 "[ . 1 . 2]" 1
590 1 52 LEU QD 1 56 LYS H . . 8.600 3.461 2.808 4.510 . 0 0 "[ . 1 . 2]" 1
591 1 52 LEU QD 1 56 LYS QG . . 9.010 2.851 1.814 5.339 . 0 0 "[ . 1 . 2]" 1
592 1 52 LEU MD1 1 53 GLY H . . 7.030 3.376 1.733 4.661 . 0 0 "[ . 1 . 2]" 1
593 1 52 LEU MD2 1 53 GLY H . . 7.030 3.634 2.759 3.930 . 0 0 "[ . 1 . 2]" 1
594 1 52 LEU HG 1 53 GLY H . . 4.630 3.076 1.992 4.801 0.171 1 0 "[ . 1 . 2]" 1
595 1 53 GLY H 1 54 ILE H . . 3.480 3.057 2.762 3.472 . 0 0 "[ . 1 . 2]" 1
596 1 53 GLY H 1 54 ILE QG . . 6.880 5.857 4.748 6.593 . 0 0 "[ . 1 . 2]" 1
597 1 53 GLY H 1 56 LYS QB . . 6.120 5.221 4.610 5.786 . 0 0 "[ . 1 . 2]" 1
598 1 53 GLY QA 1 55 LEU QD . . 6.850 5.018 4.815 5.240 . 0 0 "[ . 1 . 2]" 1
599 1 53 GLY QA 1 56 LYS H . . 5.830 3.611 3.336 4.024 . 0 0 "[ . 1 . 2]" 1
600 1 53 GLY QA 1 56 LYS QB . . 6.350 3.694 2.724 4.364 . 0 0 "[ . 1 . 2]" 1
601 1 53 GLY QA 1 57 ARG QG . . 7.750 4.137 3.023 5.142 . 0 0 "[ . 1 . 2]" 1
602 1 54 ILE H 1 54 ILE HB . . 2.800 2.053 1.978 2.222 . 0 0 "[ . 1 . 2]" 1
603 1 54 ILE H 1 54 ILE MD . . 5.340 4.026 3.395 4.199 . 0 0 "[ . 1 . 2]" 1
604 1 54 ILE H 1 55 LEU H . . 3.370 2.790 2.223 3.043 . 0 0 "[ . 1 . 2]" 1
605 1 54 ILE H 1 55 LEU QD . . 7.520 4.010 3.293 4.528 . 0 0 "[ . 1 . 2]" 1
606 1 54 ILE HA 1 57 ARG H . . 3.910 3.424 3.240 3.604 . 0 0 "[ . 1 . 2]" 1
607 1 54 ILE HA 1 57 ARG QB . . 5.940 1.957 1.887 2.138 . 0 0 "[ . 1 . 2]" 1
608 1 54 ILE HA 1 57 ARG HG2 . . 6.000 4.452 3.991 4.826 . 0 0 "[ . 1 . 2]" 1
609 1 54 ILE HA 1 57 ARG HG3 . . 6.000 3.668 2.816 4.515 . 0 0 "[ . 1 . 2]" 1
610 1 54 ILE HA 1 58 TYR H . . 4.450 3.942 3.465 4.371 . 0 0 "[ . 1 . 2]" 1
611 1 54 ILE HA 1 58 TYR QD . . 8.140 4.758 4.282 5.302 . 0 0 "[ . 1 . 2]" 1
612 1 54 ILE HA 1 59 ILE MG . . 7.030 6.017 5.854 6.187 . 0 0 "[ . 1 . 2]" 1
613 1 54 ILE HA 1 66 LEU HG . . 5.890 5.707 5.043 6.271 0.381 11 0 "[ . 1 . 2]" 1
614 1 54 ILE HB 1 55 LEU H . . 3.050 3.258 2.770 3.514 0.464 20 0 "[ . 1 . 2]" 1
615 1 54 ILE MD 1 58 TYR H . . 6.960 4.159 2.657 5.915 . 0 0 "[ . 1 . 2]" 1
616 1 54 ILE MD 1 58 TYR QD . . 9.170 3.883 3.013 4.955 . 0 0 "[ . 1 . 2]" 1
617 1 54 ILE MD 1 58 TYR QE . . 9.160 5.567 4.371 6.455 . 0 0 "[ . 1 . 2]" 1
618 1 54 ILE MD 1 68 TYR H . . 7.030 3.834 2.294 4.736 . 0 0 "[ . 1 . 2]" 1
619 1 54 ILE MD 1 68 TYR QD . . 9.170 4.475 2.520 5.459 . 0 0 "[ . 1 . 2]" 1
620 1 54 ILE MD 1 68 TYR QE . . 9.160 5.866 2.136 6.856 . 0 0 "[ . 1 . 2]" 1
621 1 54 ILE QG 1 58 TYR H . . 6.880 5.282 4.222 6.079 . 0 0 "[ . 1 . 2]" 1
622 1 54 ILE QG 1 58 TYR QE . . 9.010 6.606 5.775 7.047 . 0 0 "[ . 1 . 2]" 1
623 1 54 ILE MG 1 55 LEU H . . 6.020 2.342 1.890 3.081 . 0 0 "[ . 1 . 2]" 1
624 1 54 ILE MG 1 55 LEU HA . . 6.990 2.931 2.791 3.173 . 0 0 "[ . 1 . 2]" 1
625 1 54 ILE MG 1 56 LYS H . . 7.030 4.694 4.419 5.144 . 0 0 "[ . 1 . 2]" 1
626 1 54 ILE MG 1 57 ARG H . . 7.030 4.239 4.168 4.362 . 0 0 "[ . 1 . 2]" 1
627 1 54 ILE MG 1 58 TYR QB . . 7.900 3.421 2.965 4.130 . 0 0 "[ . 1 . 2]" 1
628 1 54 ILE MG 1 68 TYR HB2 . . 6.380 4.303 1.901 5.303 . 0 0 "[ . 1 . 2]" 1
629 1 54 ILE MG 1 68 TYR HB3 . . 6.380 4.376 2.872 5.297 . 0 0 "[ . 1 . 2]" 1
630 1 54 ILE MG 1 68 TYR QD . . 9.170 4.739 2.138 6.171 . 0 0 "[ . 1 . 2]" 1
631 1 55 LEU H 1 55 LEU MD1 . . 4.980 3.457 2.249 4.267 . 0 0 "[ . 1 . 2]" 1
632 1 55 LEU H 1 55 LEU QD . . 4.630 2.244 1.879 2.689 . 0 0 "[ . 1 . 2]" 1
633 1 55 LEU H 1 55 LEU MD2 . . 4.980 2.865 1.885 4.269 . 0 0 "[ . 1 . 2]" 1
634 1 55 LEU HA 1 55 LEU HG . . 4.240 3.144 2.131 3.688 . 0 0 "[ . 1 . 2]" 1
635 1 55 LEU HA 1 58 TYR H . . 3.410 3.376 3.159 3.594 0.184 2 0 "[ . 1 . 2]" 1
636 1 55 LEU HA 1 58 TYR QB . . 5.220 3.848 3.374 4.353 . 0 0 "[ . 1 . 2]" 1
637 1 55 LEU HA 1 66 LEU MD1 . . 7.030 3.243 2.559 3.847 . 0 0 "[ . 1 . 2]" 1
638 1 55 LEU HA 1 66 LEU MD2 . . 7.030 5.348 4.664 5.979 . 0 0 "[ . 1 . 2]" 1
639 1 55 LEU HA 1 66 LEU HG . . 6.000 4.489 3.708 5.831 . 0 0 "[ . 1 . 2]" 1
640 1 55 LEU QB 1 56 LYS H . . 4.360 2.425 2.346 2.501 . 0 0 "[ . 1 . 2]" 1
641 1 55 LEU QD 1 56 LYS H . . 6.170 3.867 3.753 3.927 . 0 0 "[ . 1 . 2]" 1
642 1 55 LEU QD 1 58 TYR QD . . 8.350 3.070 2.264 4.247 . 0 0 "[ . 1 . 2]" 1
643 1 55 LEU QD 1 58 TYR QE . . 8.440 2.019 1.674 2.821 . 0 0 "[ . 1 . 2]" 1
644 1 55 LEU QD 1 59 ILE H . . 8.600 4.328 3.709 4.964 . 0 0 "[ . 1 . 2]" 1
645 1 55 LEU MD1 1 56 LYS H . . 6.490 4.395 3.930 4.693 . 0 0 "[ . 1 . 2]" 1
646 1 55 LEU MD1 1 58 TYR H . . 7.030 5.359 4.654 5.932 . 0 0 "[ . 1 . 2]" 1
647 1 55 LEU MD1 1 58 TYR QD . . 8.920 3.690 2.293 4.655 . 0 0 "[ . 1 . 2]" 1
648 1 55 LEU MD1 1 58 TYR QE . . 9.160 2.468 1.762 3.909 . 0 0 "[ . 1 . 2]" 1
649 1 55 LEU MD2 1 56 LYS H . . 6.490 4.362 4.027 4.756 . 0 0 "[ . 1 . 2]" 1
650 1 55 LEU MD2 1 58 TYR H . . 7.030 5.172 4.439 5.947 . 0 0 "[ . 1 . 2]" 1
651 1 55 LEU MD2 1 58 TYR QD . . 8.920 3.449 2.390 4.901 . 0 0 "[ . 1 . 2]" 1
652 1 55 LEU MD2 1 58 TYR QE . . 9.160 2.622 1.949 4.171 . 0 0 "[ . 1 . 2]" 1
653 1 56 LYS H 1 56 LYS QD . . 5.110 4.257 3.895 4.501 . 0 0 "[ . 1 . 2]" 1
654 1 56 LYS H 1 57 ARG H . . 3.300 2.684 2.602 2.764 . 0 0 "[ . 1 . 2]" 1
655 1 56 LYS H 1 59 ILE MD . . 7.030 4.502 2.795 4.942 . 0 0 "[ . 1 . 2]" 1
656 1 56 LYS H 1 59 ILE HG12 . . 6.000 3.598 3.323 4.192 . 0 0 "[ . 1 . 2]" 1
657 1 56 LYS H 1 59 ILE QG . . 5.270 3.441 3.187 4.084 . 0 0 "[ . 1 . 2]" 1
658 1 56 LYS H 1 59 ILE HG13 . . 6.000 4.413 4.096 5.632 . 0 0 "[ . 1 . 2]" 1
659 1 56 LYS H 1 59 ILE MG . . 7.030 3.959 3.699 4.334 . 0 0 "[ . 1 . 2]" 1
660 1 56 LYS HA 1 59 ILE H . . 5.640 3.711 3.558 3.952 . 0 0 "[ . 1 . 2]" 1
661 1 56 LYS HA 1 59 ILE HB . . 5.420 4.476 4.387 4.561 . 0 0 "[ . 1 . 2]" 1
662 1 56 LYS HA 1 59 ILE MD . . 6.060 2.575 1.905 2.772 . 0 0 "[ . 1 . 2]" 1
663 1 56 LYS HA 1 59 ILE QG . . 6.410 1.770 1.722 1.845 . 0 0 "[ . 1 . 2]" 1
664 1 56 LYS HA 1 59 ILE MG . . 6.850 3.534 3.374 3.719 . 0 0 "[ . 1 . 2]" 1
665 1 56 LYS HA 1 60 LEU QB . . 5.760 4.304 2.997 4.868 . 0 0 "[ . 1 . 2]" 1
666 1 56 LYS HA 1 60 LEU QD . . 8.130 3.950 3.282 4.841 . 0 0 "[ . 1 . 2]" 1
667 1 56 LYS QD 1 58 TYR H . . 6.800 6.666 5.662 7.521 0.721 19 1 "[ . 1 . +2]" 1
668 1 56 LYS QE 1 60 LEU QD . . 9.010 3.419 2.381 5.053 . 0 0 "[ . 1 . 2]" 1
669 1 56 LYS QG 1 60 LEU QD . . 9.010 3.958 2.244 5.353 . 0 0 "[ . 1 . 2]" 1
670 1 57 ARG H 1 57 ARG HB2 . . 3.050 2.179 2.117 2.302 . 0 0 "[ . 1 . 2]" 1
671 1 57 ARG H 1 57 ARG QB . . 2.740 2.139 2.092 2.221 . 0 0 "[ . 1 . 2]" 1
672 1 57 ARG H 1 57 ARG HB3 . . 3.050 3.163 2.916 3.418 0.368 5 0 "[ . 1 . 2]" 1
673 1 57 ARG H 1 57 ARG HG2 . . 4.560 4.206 3.662 4.699 0.139 15 0 "[ . 1 . 2]" 1
674 1 57 ARG H 1 57 ARG QG . . 4.230 3.601 3.165 3.925 . 0 0 "[ . 1 . 2]" 1
675 1 57 ARG H 1 57 ARG HG3 . . 4.560 3.970 3.396 4.543 . 0 0 "[ . 1 . 2]" 1
676 1 57 ARG H 1 58 TYR H . . 3.260 2.365 2.259 2.536 . 0 0 "[ . 1 . 2]" 1
677 1 57 ARG HA 1 60 LEU QB . . 4.610 3.084 2.519 3.743 . 0 0 "[ . 1 . 2]" 1
678 1 57 ARG HA 1 60 LEU QD . . 7.700 3.360 2.582 4.659 . 0 0 "[ . 1 . 2]" 1
679 1 57 ARG QB 1 58 TYR H . . 3.910 2.519 2.360 2.651 . 0 0 "[ . 1 . 2]" 1
680 1 57 ARG QB 1 66 LEU HA . . 6.880 5.862 4.827 6.358 . 0 0 "[ . 1 . 2]" 1
681 1 57 ARG QB 1 66 LEU HG . . 6.230 5.665 5.052 5.846 . 0 0 "[ . 1 . 2]" 1
682 1 57 ARG HB2 1 58 TYR H . . 4.560 3.036 2.561 3.438 . 0 0 "[ . 1 . 2]" 1
683 1 57 ARG HB3 1 58 TYR H . . 4.560 2.731 2.417 3.024 . 0 0 "[ . 1 . 2]" 1
684 1 58 TYR H 1 58 TYR HB2 . . 3.370 3.403 3.184 3.502 0.132 18 0 "[ . 1 . 2]" 1
685 1 58 TYR H 1 58 TYR QB . . 3.110 2.091 1.849 2.321 . 0 0 "[ . 1 . 2]" 1
686 1 58 TYR H 1 58 TYR HB3 . . 3.370 2.111 1.861 2.355 . 0 0 "[ . 1 . 2]" 1
687 1 58 TYR H 1 66 LEU QD . . 8.600 4.522 3.689 5.209 . 0 0 "[ . 1 . 2]" 1
688 1 58 TYR H 1 66 LEU HG . . 5.320 5.000 3.871 5.494 0.174 10 0 "[ . 1 . 2]" 1
689 1 58 TYR HA 1 60 LEU H . . 4.200 3.594 3.335 3.908 . 0 0 "[ . 1 . 2]" 1
690 1 58 TYR HA 1 62 GLU H . . 3.730 3.629 3.075 3.908 0.178 18 0 "[ . 1 . 2]" 1
691 1 58 TYR QB 1 59 ILE H . . 3.900 3.336 3.179 3.498 . 0 0 "[ . 1 . 2]" 1
692 1 58 TYR QB 1 59 ILE QG . . 7.750 5.093 4.911 5.298 . 0 0 "[ . 1 . 2]" 1
693 1 58 TYR QB 1 60 LEU H . . 5.870 4.630 4.540 4.829 . 0 0 "[ . 1 . 2]" 1
694 1 58 TYR QB 1 61 LYS H . . 6.410 5.200 4.753 5.598 . 0 0 "[ . 1 . 2]" 1
695 1 58 TYR QB 1 63 ILE MD . . 7.690 5.492 3.893 6.756 . 0 0 "[ . 1 . 2]" 1
696 1 58 TYR QB 1 63 ILE MG . . 7.900 5.553 4.236 6.228 . 0 0 "[ . 1 . 2]" 1
697 1 58 TYR QB 1 65 THR MG . . 7.900 4.639 3.355 5.935 . 0 0 "[ . 1 . 2]" 1
698 1 58 TYR QB 1 66 LEU QD . . 7.040 3.295 2.044 4.191 . 0 0 "[ . 1 . 2]" 1
699 1 58 TYR QB 1 66 LEU HG . . 5.720 3.253 2.102 4.323 . 0 0 "[ . 1 . 2]" 1
700 1 58 TYR HB2 1 59 ILE H . . 4.600 4.112 3.961 4.315 . 0 0 "[ . 1 . 2]" 1
701 1 58 TYR HB2 1 66 LEU MD1 . . 8.780 4.269 2.645 5.122 . 0 0 "[ . 1 . 2]" 1
702 1 58 TYR HB2 1 66 LEU MD2 . . 8.780 4.900 3.508 6.075 . 0 0 "[ . 1 . 2]" 1
703 1 58 TYR HB2 1 66 LEU HG . . 6.000 4.012 2.735 5.577 . 0 0 "[ . 1 . 2]" 1
704 1 58 TYR HB3 1 59 ILE H . . 4.600 3.532 3.324 3.770 . 0 0 "[ . 1 . 2]" 1
705 1 58 TYR HB3 1 66 LEU MD1 . . 8.780 3.783 2.137 4.962 . 0 0 "[ . 1 . 2]" 1
706 1 58 TYR HB3 1 66 LEU MD2 . . 8.780 4.636 3.247 5.463 . 0 0 "[ . 1 . 2]" 1
707 1 58 TYR HB3 1 66 LEU HG . . 6.000 3.468 2.173 4.553 . 0 0 "[ . 1 . 2]" 1
708 1 58 TYR QD 1 59 ILE H . . 8.140 3.176 2.962 3.469 . 0 0 "[ . 1 . 2]" 1
709 1 58 TYR QD 1 59 ILE HA . . 8.140 2.932 2.430 3.527 . 0 0 "[ . 1 . 2]" 1
710 1 58 TYR QD 1 59 ILE HG12 . . 8.140 5.086 4.862 5.273 . 0 0 "[ . 1 . 2]" 1
711 1 58 TYR QD 1 59 ILE HG13 . . 8.140 5.161 4.874 5.804 . 0 0 "[ . 1 . 2]" 1
712 1 58 TYR QD 1 61 LYS HA . . 8.140 6.114 5.456 6.762 . 0 0 "[ . 1 . 2]" 1
713 1 58 TYR QD 1 61 LYS QD . . 9.020 6.388 5.695 7.031 . 0 0 "[ . 1 . 2]" 1
714 1 58 TYR QD 1 63 ILE HB . . 8.140 3.237 1.961 4.136 . 0 0 "[ . 1 . 2]" 1
715 1 58 TYR QD 1 63 ILE MD . . 9.170 3.769 2.254 4.956 . 0 0 "[ . 1 . 2]" 1
716 1 58 TYR QD 1 63 ILE QG . . 9.020 4.124 2.389 5.035 . 0 0 "[ . 1 . 2]" 1
717 1 58 TYR QD 1 64 ASP HA . . 8.140 5.583 4.384 6.375 . 0 0 "[ . 1 . 2]" 1
718 1 58 TYR QD 1 65 THR HA . . 8.140 6.032 5.021 6.928 . 0 0 "[ . 1 . 2]" 1
719 1 58 TYR QD 1 66 LEU QB . . 9.020 2.918 1.946 3.302 . 0 0 "[ . 1 . 2]" 1
720 1 58 TYR QD 1 66 LEU MD1 . . 9.170 2.291 1.836 3.392 . 0 0 "[ . 1 . 2]" 1
721 1 58 TYR QD 1 66 LEU QD . . 8.980 2.250 1.834 3.216 . 0 0 "[ . 1 . 2]" 1
722 1 58 TYR QD 1 66 LEU MD2 . . 9.170 4.019 3.506 4.333 . 0 0 "[ . 1 . 2]" 1
723 1 58 TYR QD 1 66 LEU HG . . 8.140 2.737 2.004 3.995 . 0 0 "[ . 1 . 2]" 1
724 1 58 TYR QE 1 59 ILE HA . . 8.130 3.095 2.693 3.727 . 0 0 "[ . 1 . 2]" 1
725 1 58 TYR QE 1 59 ILE QG . . 9.010 4.667 4.551 4.936 . 0 0 "[ . 1 . 2]" 1
726 1 58 TYR QE 1 64 ASP HA . . 7.450 5.220 2.893 6.620 . 0 0 "[ . 1 . 2]" 1
727 1 58 TYR QE 1 65 THR HA . . 7.700 6.392 4.894 7.182 . 0 0 "[ . 1 . 2]" 1
728 1 58 TYR QE 1 65 THR MG . . 9.160 6.363 5.516 6.904 . 0 0 "[ . 1 . 2]" 1
729 1 58 TYR QE 1 66 LEU QB . . 9.010 3.295 2.946 3.767 . 0 0 "[ . 1 . 2]" 1
730 1 58 TYR QE 1 66 LEU MD1 . . 9.160 2.078 1.753 2.847 . 0 0 "[ . 1 . 2]" 1
731 1 58 TYR QE 1 66 LEU MD2 . . 9.160 4.396 3.447 4.876 . 0 0 "[ . 1 . 2]" 1
732 1 58 TYR QE 1 66 LEU HG . . 8.130 3.804 1.975 5.612 . 0 0 "[ . 1 . 2]" 1
733 1 59 ILE H 1 59 ILE HG12 . . 4.090 3.064 2.384 3.268 . 0 0 "[ . 1 . 2]" 1
734 1 59 ILE H 1 59 ILE QG . . 3.660 2.431 2.250 2.528 . 0 0 "[ . 1 . 2]" 1
735 1 59 ILE H 1 59 ILE HG13 . . 4.090 2.662 2.301 3.810 . 0 0 "[ . 1 . 2]" 1
736 1 59 ILE H 1 60 LEU H . . 3.230 2.565 2.291 2.762 . 0 0 "[ . 1 . 2]" 1
737 1 59 ILE H 1 61 LYS H . . 6.000 4.575 3.847 5.010 . 0 0 "[ . 1 . 2]" 1
738 1 59 ILE H 1 66 LEU QD . . 8.600 4.851 4.421 5.243 . 0 0 "[ . 1 . 2]" 1
739 1 59 ILE HA 1 61 LYS H . . 4.380 3.930 3.494 4.482 0.102 8 0 "[ . 1 . 2]" 1
740 1 59 ILE QG 1 60 LEU H . . 6.880 2.592 2.260 2.988 . 0 0 "[ . 1 . 2]" 1
741 1 59 ILE MG 1 61 LYS H . . 7.030 5.355 4.815 5.734 . 0 0 "[ . 1 . 2]" 1
742 1 59 ILE MG 1 66 LEU QB . . 5.850 4.304 3.890 4.470 . 0 0 "[ . 1 . 2]" 1
743 1 60 LEU H 1 61 LYS H . . 3.370 2.742 2.357 3.082 . 0 0 "[ . 1 . 2]" 1
744 1 60 LEU QB 1 61 LYS H . . 5.040 2.743 2.316 3.555 . 0 0 "[ . 1 . 2]" 1
745 1 60 LEU QB 1 63 ILE MD . . 7.900 7.135 5.742 8.067 0.167 13 0 "[ . 1 . 2]" 1
746 1 60 LEU QB 1 63 ILE MG . . 7.900 5.463 5.000 5.939 . 0 0 "[ . 1 . 2]" 1
747 1 60 LEU QD 1 61 LYS H . . 8.130 3.969 3.580 4.264 . 0 0 "[ . 1 . 2]" 1
748 1 60 LEU QD 1 62 GLU H . . 8.130 4.810 3.913 5.944 . 0 0 "[ . 1 . 2]" 1
749 1 61 LYS H 1 62 GLU H . . 3.230 1.969 1.641 3.404 0.174 17 0 "[ . 1 . 2]" 1
750 1 61 LYS HA 1 63 ILE H . . 3.910 3.485 3.221 4.298 0.388 17 0 "[ . 1 . 2]" 1
751 1 61 LYS QB 1 62 GLU H . . 4.460 3.428 1.828 3.967 . 0 0 "[ . 1 . 2]" 1
752 1 61 LYS QG 1 63 ILE H . . 6.800 4.699 4.212 5.607 . 0 0 "[ . 1 . 2]" 1
753 1 62 GLU H 1 62 GLU QB . . 3.570 2.154 1.998 2.509 . 0 0 "[ . 1 . 2]" 1
754 1 62 GLU H 1 62 GLU QG . . 4.900 3.303 2.095 3.861 . 0 0 "[ . 1 . 2]" 1
755 1 62 GLU H 1 63 ILE H . . 2.940 2.552 1.841 2.992 0.052 13 0 "[ . 1 . 2]" 1
756 1 62 GLU QB 1 63 ILE H . . 3.870 3.358 2.787 3.815 . 0 0 "[ . 1 . 2]" 1
757 1 62 GLU HB2 1 63 ILE H . . 4.160 3.728 3.239 4.299 0.139 13 0 "[ . 1 . 2]" 1
758 1 62 GLU HB3 1 63 ILE H . . 4.160 3.861 2.980 4.265 0.105 13 0 "[ . 1 . 2]" 1
759 1 63 ILE H 1 63 ILE HB . . 3.880 2.711 2.460 3.487 . 0 0 "[ . 1 . 2]" 1
760 1 63 ILE HA 1 64 ASP H . . 2.510 2.218 2.176 2.386 . 0 0 "[ . 1 . 2]" 1
761 1 63 ILE HB 1 64 ASP H . . 4.270 4.147 2.821 4.550 0.280 17 0 "[ . 1 . 2]" 1
762 1 63 ILE MD 1 66 LEU H . . 7.030 5.776 4.861 6.039 . 0 0 "[ . 1 . 2]" 1
763 1 63 ILE QG 1 64 ASP H . . 6.880 3.254 2.462 4.197 . 0 0 "[ . 1 . 2]" 1
764 1 63 ILE QG 1 65 THR H . . 6.160 4.887 3.062 5.465 . 0 0 "[ . 1 . 2]" 1
765 1 63 ILE MG 1 64 ASP H . . 7.030 4.303 4.130 4.425 . 0 0 "[ . 1 . 2]" 1
766 1 64 ASP H 1 65 THR H . . 3.910 2.216 1.839 3.318 . 0 0 "[ . 1 . 2]" 1
767 1 64 ASP HB2 1 65 THR H . . 4.490 3.796 2.645 4.559 0.069 4 0 "[ . 1 . 2]" 1
768 1 64 ASP HB3 1 65 THR H . . 4.490 3.180 2.316 4.355 . 0 0 "[ . 1 . 2]" 1
769 1 65 THR H 1 65 THR HB . . 3.910 3.016 2.235 3.843 . 0 0 "[ . 1 . 2]" 1
770 1 65 THR H 1 66 LEU QB . . 5.510 4.155 3.631 4.925 . 0 0 "[ . 1 . 2]" 1
771 1 65 THR HA 1 66 LEU QB . . 5.940 4.125 3.824 4.644 . 0 0 "[ . 1 . 2]" 1
772 1 65 THR HA 1 68 TYR QD . . 8.070 6.407 5.882 7.657 . 0 0 "[ . 1 . 2]" 1
773 1 65 THR HB 1 66 LEU H . . 4.200 3.803 2.176 4.569 0.369 10 0 "[ . 1 . 2]" 1
774 1 65 THR MG 1 66 LEU H . . 7.030 2.918 1.906 4.233 . 0 0 "[ . 1 . 2]" 1
775 1 65 THR MG 1 68 TYR QD . . 9.170 5.185 3.665 6.402 . 0 0 "[ . 1 . 2]" 1
776 1 66 LEU H 1 66 LEU QB . . 3.750 2.807 2.470 2.981 . 0 0 "[ . 1 . 2]" 1
777 1 66 LEU H 1 66 LEU HG . . 4.670 4.532 3.612 4.815 0.145 18 0 "[ . 1 . 2]" 1
778 1 66 LEU HA 1 68 TYR H . . 4.020 4.038 3.112 4.435 0.415 8 0 "[ . 1 . 2]" 1
779 1 66 LEU QB 1 68 TYR QD . . 9.020 4.238 3.280 5.704 . 0 0 "[ . 1 . 2]" 1
780 1 66 LEU QD 1 68 TYR H . . 7.880 2.063 1.865 2.856 . 0 0 "[ . 1 . 2]" 1
781 1 66 LEU QD 1 68 TYR QB . . 8.300 1.907 1.720 2.270 . 0 0 "[ . 1 . 2]" 1
782 1 66 LEU QD 1 68 TYR QD . . 10.740 2.306 1.902 3.617 . 0 0 "[ . 1 . 2]" 1
783 1 66 LEU QD 1 68 TYR QE . . 10.730 4.187 3.638 5.112 . 0 0 "[ . 1 . 2]" 1
784 1 66 LEU MD1 1 68 TYR HB2 . . 10.170 4.914 4.058 5.593 . 0 0 "[ . 1 . 2]" 1
785 1 66 LEU MD1 1 68 TYR HB3 . . 10.170 4.443 3.567 5.551 . 0 0 "[ . 1 . 2]" 1
786 1 66 LEU MD2 1 68 TYR HB2 . . 10.170 2.865 1.755 3.506 . 0 0 "[ . 1 . 2]" 1
787 1 66 LEU MD2 1 68 TYR HB3 . . 10.170 2.295 1.858 3.804 . 0 0 "[ . 1 . 2]" 1
788 1 66 LEU HG 1 68 TYR HB2 . . 6.000 4.999 3.306 6.029 0.029 16 0 "[ . 1 . 2]" 1
789 1 66 LEU HG 1 68 TYR HB3 . . 6.000 4.499 3.305 6.008 0.008 18 0 "[ . 1 . 2]" 1
790 1 66 LEU HG 1 68 TYR QD . . 8.140 4.296 1.990 5.257 . 0 0 "[ . 1 . 2]" 1
791 1 66 LEU HG 1 68 TYR QE . . 8.130 6.260 3.540 7.217 . 0 0 "[ . 1 . 2]" 1
792 1 68 TYR H 1 68 TYR QB . . 3.720 2.442 2.079 2.888 . 0 0 "[ . 1 . 2]" 1
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