NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396197 |
1sb6   |
6172 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sb6
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 973
_Distance_constraint_stats_list.Viol_count 674
_Distance_constraint_stats_list.Viol_total 529.428
_Distance_constraint_stats_list.Viol_max 0.223
_Distance_constraint_stats_list.Viol_rms 0.0095
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0393
_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 2 THR 0.334 0.057 7 0 "[ . 1 . 2]"
1 3 ILE 0.011 0.006 5 0 "[ . 1 . 2]"
1 4 GLN 0.498 0.059 10 0 "[ . 1 . 2]"
1 5 LEU 1.171 0.094 17 0 "[ . 1 . 2]"
1 6 THR 0.070 0.050 14 0 "[ . 1 . 2]"
1 7 VAL 2.559 0.141 2 0 "[ . 1 . 2]"
1 8 PRO 0.477 0.047 9 0 "[ . 1 . 2]"
1 9 THR 1.627 0.223 14 0 "[ . 1 . 2]"
1 10 ILE 4.364 0.159 5 0 "[ . 1 . 2]"
1 11 ALA 0.092 0.042 17 0 "[ . 1 . 2]"
1 12 CYS 0.479 0.072 10 0 "[ . 1 . 2]"
1 13 GLU 0.648 0.139 1 0 "[ . 1 . 2]"
1 14 ALA 0.229 0.081 8 0 "[ . 1 . 2]"
1 15 CYS 2.270 0.171 14 0 "[ . 1 . 2]"
1 16 ALA 1.390 0.171 14 0 "[ . 1 . 2]"
1 17 GLU 0.413 0.084 5 0 "[ . 1 . 2]"
1 18 ALA 0.094 0.031 1 0 "[ . 1 . 2]"
1 19 VAL 0.378 0.038 15 0 "[ . 1 . 2]"
1 20 THR 0.584 0.084 15 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.619 0.084 15 0 "[ . 1 . 2]"
1 23 VAL 0.383 0.047 19 0 "[ . 1 . 2]"
1 24 GLN 1.770 0.088 6 0 "[ . 1 . 2]"
1 25 ASN 0.159 0.041 12 0 "[ . 1 . 2]"
1 26 GLU 0.052 0.047 19 0 "[ . 1 . 2]"
1 27 ASP 0.159 0.041 12 0 "[ . 1 . 2]"
1 28 ALA 1.755 0.112 16 0 "[ . 1 . 2]"
1 29 GLN 1.755 0.112 16 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 THR 0.725 0.097 19 0 "[ . 1 . 2]"
1 32 VAL 0.324 0.053 8 0 "[ . 1 . 2]"
1 33 GLN 1.119 0.106 12 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.452 0.043 15 0 "[ . 1 . 2]"
1 36 LEU 0.442 0.114 18 0 "[ . 1 . 2]"
1 37 THR 0.249 0.068 19 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.244 0.103 9 0 "[ . 1 . 2]"
1 40 LYS 0.338 0.054 5 0 "[ . 1 . 2]"
1 41 VAL 0.661 0.059 10 0 "[ . 1 . 2]"
1 42 THR 2.145 0.106 12 0 "[ . 1 . 2]"
1 43 ILE 0.489 0.058 17 0 "[ . 1 . 2]"
1 44 THR 0.715 0.097 19 0 "[ . 1 . 2]"
1 45 SER 1.987 0.100 12 0 "[ . 1 . 2]"
1 46 ALA 0.038 0.020 8 0 "[ . 1 . 2]"
1 47 LEU 2.131 0.100 12 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.826 0.100 8 0 "[ . 1 . 2]"
1 50 GLU 0.928 0.094 1 0 "[ . 1 . 2]"
1 51 GLN 0.354 0.063 17 0 "[ . 1 . 2]"
1 52 LEU 0.850 0.065 3 0 "[ . 1 . 2]"
1 53 ARG 0.798 0.067 5 0 "[ . 1 . 2]"
1 54 THR 0.561 0.064 5 0 "[ . 1 . 2]"
1 55 ALA 0.205 0.034 13 0 "[ . 1 . 2]"
1 56 ILE 0.193 0.039 10 0 "[ . 1 . 2]"
1 57 ALA 0.240 0.053 14 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ALA 0.010 0.010 14 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 HIS 0.501 0.053 14 0 "[ . 1 . 2]"
1 62 GLU 2.238 0.127 13 0 "[ . 1 . 2]"
1 63 VAL 1.987 0.127 13 0 "[ . 1 . 2]"
1 64 GLU 0.224 0.084 16 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 2 THR HA 1 3 ILE H . . 3.100 2.312 2.115 2.530 . 0 0 "[ . 1 . 2]" 1
2 1 2 THR HA 1 3 ILE HB . . 6.000 4.660 4.227 4.951 . 0 0 "[ . 1 . 2]" 1
3 1 2 THR HA 1 3 ILE MD . . 7.000 3.812 2.619 5.159 . 0 0 "[ . 1 . 2]" 1
4 1 2 THR HA 1 44 THR HA . . 3.500 2.503 2.155 3.257 . 0 0 "[ . 1 . 2]" 1
5 1 2 THR HA 1 44 THR MG . . 7.000 3.591 3.215 4.243 . 0 0 "[ . 1 . 2]" 1
6 1 2 THR HA 1 45 SER H . . 3.800 3.753 3.442 3.857 0.057 7 0 "[ . 1 . 2]" 1
7 1 2 THR HB 1 3 ILE H . . 5.700 3.968 2.276 4.639 . 0 0 "[ . 1 . 2]" 1
8 1 2 THR HB 1 44 THR HB . . 6.000 5.358 4.560 6.048 0.048 9 0 "[ . 1 . 2]" 1
9 1 2 THR MG 1 3 ILE H . . 5.100 3.996 2.799 4.377 . 0 0 "[ . 1 . 2]" 1
10 1 2 THR MG 1 44 THR HA . . 7.000 4.036 2.276 5.163 . 0 0 "[ . 1 . 2]" 1
11 1 3 ILE H 1 3 ILE HB . . 3.900 2.461 2.275 2.648 . 0 0 "[ . 1 . 2]" 1
12 1 3 ILE H 1 3 ILE MD . . 4.000 3.019 2.186 3.890 . 0 0 "[ . 1 . 2]" 1
13 1 3 ILE H 1 3 ILE MG . . 4.500 3.745 3.633 3.825 . 0 0 "[ . 1 . 2]" 1
14 1 3 ILE H 1 4 GLN H . . 5.300 4.334 3.970 4.593 . 0 0 "[ . 1 . 2]" 1
15 1 3 ILE H 1 43 ILE H . . 3.400 3.156 2.932 3.406 0.006 5 0 "[ . 1 . 2]" 1
16 1 3 ILE H 1 43 ILE MG . . 7.000 4.199 3.874 4.533 . 0 0 "[ . 1 . 2]" 1
17 1 3 ILE H 1 44 THR HA . . 4.100 3.451 3.083 3.808 . 0 0 "[ . 1 . 2]" 1
18 1 3 ILE HA 1 4 GLN H . . 3.000 2.227 2.168 2.314 . 0 0 "[ . 1 . 2]" 1
19 1 3 ILE HB 1 4 GLN H . . 4.700 4.331 4.097 4.592 . 0 0 "[ . 1 . 2]" 1
20 1 3 ILE HB 1 43 ILE MG . . 7.000 3.713 3.071 4.300 . 0 0 "[ . 1 . 2]" 1
21 1 3 ILE HB 1 52 LEU QD . . 7.670 3.271 2.769 3.781 . 0 0 "[ . 1 . 2]" 1
22 1 3 ILE MD 1 4 GLN H . . 5.500 4.323 3.657 4.849 . 0 0 "[ . 1 . 2]" 1
23 1 3 ILE QG 1 4 GLN H . . 6.100 4.666 4.064 4.999 . 0 0 "[ . 1 . 2]" 1
24 1 3 ILE QG 1 43 ILE HB . . 7.000 3.970 3.428 5.080 . 0 0 "[ . 1 . 2]" 1
25 1 3 ILE QG 1 43 ILE MD . . 8.000 6.003 5.583 6.465 . 0 0 "[ . 1 . 2]" 1
26 1 3 ILE QG 1 43 ILE MG . . 8.000 3.995 3.354 4.673 . 0 0 "[ . 1 . 2]" 1
27 1 3 ILE MG 1 4 GLN H . . 5.500 3.006 2.427 3.653 . 0 0 "[ . 1 . 2]" 1
28 1 3 ILE MG 1 43 ILE H . . 7.000 3.956 3.140 4.452 . 0 0 "[ . 1 . 2]" 1
29 1 4 GLN H 1 4 GLN HB2 . . 3.900 2.515 2.173 2.928 . 0 0 "[ . 1 . 2]" 1
30 1 4 GLN H 1 4 GLN QB . . 3.460 2.359 2.150 2.570 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLN H 1 4 GLN HB3 . . 3.900 3.235 2.493 3.609 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLN H 1 4 GLN HG2 . . 5.000 4.443 4.199 4.697 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLN H 1 4 GLN QG . . 4.490 3.588 2.999 4.044 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLN H 1 4 GLN HG3 . . 5.000 3.855 3.069 4.698 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLN H 1 5 LEU H . . 5.600 4.268 3.987 4.466 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLN H 1 42 THR HA . . 5.900 4.621 4.281 4.810 . 0 0 "[ . 1 . 2]" 1
37 1 4 GLN HA 1 5 LEU H . . 2.900 2.172 2.130 2.217 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLN HA 1 41 VAL H . . 5.500 4.380 3.993 4.584 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLN HA 1 42 THR H . . 5.300 4.778 4.626 4.952 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLN HA 1 42 THR HA . . 3.500 2.297 2.140 2.461 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLN HA 1 42 THR MG . . 7.000 3.362 2.785 3.677 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLN HA 1 43 ILE H . . 4.100 3.640 3.272 3.844 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLN QB 1 5 LEU H . . 4.330 3.713 3.459 3.887 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLN QB 1 42 THR HA . . 6.880 4.120 3.393 4.486 . 0 0 "[ . 1 . 2]" 1
45 1 4 GLN QB 1 42 THR MG . . 7.880 3.694 2.605 4.439 . 0 0 "[ . 1 . 2]" 1
46 1 4 GLN QB 1 43 ILE H . . 6.880 5.276 4.380 5.625 . 0 0 "[ . 1 . 2]" 1
47 1 4 GLN HB2 1 5 LEU H . . 4.800 4.543 4.294 4.675 . 0 0 "[ . 1 . 2]" 1
48 1 4 GLN HB3 1 5 LEU H . . 4.800 3.959 3.598 4.328 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLN HE21 1 40 LYS QB . . 7.000 4.706 4.018 6.275 . 0 0 "[ . 1 . 2]" 1
50 1 4 GLN HE22 1 40 LYS QB . . 7.000 5.497 4.143 6.124 . 0 0 "[ . 1 . 2]" 1
51 1 4 GLN HG2 1 5 LEU H . . 5.000 3.720 2.804 4.475 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLN HG2 1 41 VAL H . . 6.000 4.394 3.636 4.863 . 0 0 "[ . 1 . 2]" 1
53 1 4 GLN HG2 1 42 THR HA . . 6.000 3.676 3.190 4.915 . 0 0 "[ . 1 . 2]" 1
54 1 4 GLN HG2 1 42 THR MG . . 7.000 3.689 2.982 5.101 . 0 0 "[ . 1 . 2]" 1
55 1 4 GLN HG3 1 5 LEU H . . 5.000 4.255 2.994 4.805 . 0 0 "[ . 1 . 2]" 1
56 1 4 GLN HG3 1 41 VAL H . . 6.000 5.408 3.591 6.059 0.059 10 0 "[ . 1 . 2]" 1
57 1 4 GLN HG3 1 42 THR HA . . 6.000 3.206 2.588 4.105 . 0 0 "[ . 1 . 2]" 1
58 1 4 GLN HG3 1 42 THR MG . . 7.000 2.615 2.121 3.858 . 0 0 "[ . 1 . 2]" 1
59 1 5 LEU H 1 5 LEU HB2 . . 4.000 2.618 2.276 2.861 . 0 0 "[ . 1 . 2]" 1
60 1 5 LEU H 1 5 LEU QB . . 3.700 2.567 2.245 2.787 . 0 0 "[ . 1 . 2]" 1
61 1 5 LEU H 1 5 LEU HB3 . . 4.000 3.711 3.435 3.843 . 0 0 "[ . 1 . 2]" 1
62 1 5 LEU H 1 5 LEU MD1 . . 4.800 3.527 2.003 4.022 . 0 0 "[ . 1 . 2]" 1
63 1 5 LEU H 1 5 LEU QD . . 4.330 2.950 1.998 3.307 . 0 0 "[ . 1 . 2]" 1
64 1 5 LEU H 1 5 LEU MD2 . . 4.800 3.519 2.250 4.084 . 0 0 "[ . 1 . 2]" 1
65 1 5 LEU H 1 5 LEU HG . . 4.500 3.478 2.607 4.572 0.072 15 0 "[ . 1 . 2]" 1
66 1 5 LEU H 1 41 VAL H . . 3.600 3.188 3.002 3.347 . 0 0 "[ . 1 . 2]" 1
67 1 5 LEU H 1 41 VAL HB . . 5.900 5.242 5.096 5.336 . 0 0 "[ . 1 . 2]" 1
68 1 5 LEU H 1 41 VAL QG . . 8.460 2.627 2.306 2.876 . 0 0 "[ . 1 . 2]" 1
69 1 5 LEU H 1 42 THR HA . . 3.400 3.435 3.288 3.494 0.094 17 0 "[ . 1 . 2]" 1
70 1 5 LEU HA 1 6 THR H . . 3.300 2.360 2.215 2.519 . 0 0 "[ . 1 . 2]" 1
71 1 5 LEU QB 1 6 THR H . . 3.830 2.497 2.238 2.809 . 0 0 "[ . 1 . 2]" 1
72 1 5 LEU QB 1 41 VAL H . . 6.680 3.910 3.705 4.080 . 0 0 "[ . 1 . 2]" 1
73 1 5 LEU QB 1 63 VAL QG . . 6.690 2.223 2.008 2.710 . 0 0 "[ . 1 . 2]" 1
74 1 5 LEU HB2 1 6 THR H . . 4.400 3.639 3.211 4.140 . 0 0 "[ . 1 . 2]" 1
75 1 5 LEU HB2 1 52 LEU MD1 . . 7.000 4.195 3.373 4.746 . 0 0 "[ . 1 . 2]" 1
76 1 5 LEU HB2 1 52 LEU MD2 . . 7.000 4.790 4.303 5.072 . 0 0 "[ . 1 . 2]" 1
77 1 5 LEU HB2 1 63 VAL MG1 . . 7.000 3.583 2.663 5.372 . 0 0 "[ . 1 . 2]" 1
78 1 5 LEU HB2 1 63 VAL MG2 . . 7.000 4.469 2.955 5.561 . 0 0 "[ . 1 . 2]" 1
79 1 5 LEU HB3 1 6 THR H . . 4.400 2.545 2.284 2.857 . 0 0 "[ . 1 . 2]" 1
80 1 5 LEU HB3 1 52 LEU MD1 . . 7.000 4.985 4.434 5.369 . 0 0 "[ . 1 . 2]" 1
81 1 5 LEU HB3 1 52 LEU MD2 . . 7.000 5.613 5.273 5.846 . 0 0 "[ . 1 . 2]" 1
82 1 5 LEU HB3 1 63 VAL MG1 . . 7.000 2.835 2.060 4.887 . 0 0 "[ . 1 . 2]" 1
83 1 5 LEU HB3 1 63 VAL MG2 . . 7.000 3.962 2.330 4.847 . 0 0 "[ . 1 . 2]" 1
84 1 5 LEU QD 1 41 VAL HB . . 8.570 5.373 4.739 5.782 . 0 0 "[ . 1 . 2]" 1
85 1 5 LEU QD 1 52 LEU HG . . 8.570 4.345 3.853 4.646 . 0 0 "[ . 1 . 2]" 1
86 1 5 LEU QD 1 63 VAL QG . . 9.180 2.550 2.205 3.211 . 0 0 "[ . 1 . 2]" 1
87 1 5 LEU MD1 1 6 THR H . . 7.000 4.247 3.111 4.919 . 0 0 "[ . 1 . 2]" 1
88 1 5 LEU MD1 1 63 VAL MG1 . . 11.120 3.437 2.320 5.468 . 0 0 "[ . 1 . 2]" 1
89 1 5 LEU MD1 1 63 VAL MG2 . . 11.120 4.533 2.685 6.008 . 0 0 "[ . 1 . 2]" 1
90 1 5 LEU MD2 1 6 THR H . . 7.000 4.111 3.584 4.882 . 0 0 "[ . 1 . 2]" 1
91 1 5 LEU MD2 1 63 VAL MG1 . . 11.120 3.624 2.232 5.564 . 0 0 "[ . 1 . 2]" 1
92 1 5 LEU MD2 1 63 VAL MG2 . . 11.120 4.625 2.814 5.762 . 0 0 "[ . 1 . 2]" 1
93 1 6 THR H 1 6 THR HB . . 3.300 2.511 2.418 2.730 . 0 0 "[ . 1 . 2]" 1
94 1 6 THR H 1 6 THR MG . . 4.400 3.765 3.543 3.838 . 0 0 "[ . 1 . 2]" 1
95 1 6 THR H 1 7 VAL H . . 5.300 4.272 4.087 4.393 . 0 0 "[ . 1 . 2]" 1
96 1 6 THR H 1 64 GLU H . . 4.200 3.392 2.893 4.217 0.017 16 0 "[ . 1 . 2]" 1
97 1 6 THR H 1 64 GLU HB2 . . 5.900 4.684 3.232 5.697 . 0 0 "[ . 1 . 2]" 1
98 1 6 THR H 1 64 GLU QB . . 5.680 3.951 2.789 4.668 . 0 0 "[ . 1 . 2]" 1
99 1 6 THR H 1 64 GLU HB3 . . 5.900 4.600 2.841 5.904 0.004 16 0 "[ . 1 . 2]" 1
100 1 6 THR H 1 64 GLU QG . . 7.000 5.354 2.528 6.156 . 0 0 "[ . 1 . 2]" 1
101 1 6 THR HA 1 7 VAL H . . 2.800 2.142 2.044 2.225 . 0 0 "[ . 1 . 2]" 1
102 1 6 THR HA 1 40 LYS HA . . 3.000 2.428 2.161 2.914 . 0 0 "[ . 1 . 2]" 1
103 1 6 THR HB 1 7 VAL H . . 5.100 4.394 4.244 4.567 . 0 0 "[ . 1 . 2]" 1
104 1 6 THR HB 1 64 GLU H . . 5.500 3.832 3.078 5.484 . 0 0 "[ . 1 . 2]" 1
105 1 6 THR MG 1 7 VAL H . . 4.300 3.001 2.755 3.303 . 0 0 "[ . 1 . 2]" 1
106 1 6 THR MG 1 41 VAL H . . 7.000 5.342 5.063 5.542 . 0 0 "[ . 1 . 2]" 1
107 1 6 THR MG 1 64 GLU H . . 7.000 4.193 3.659 5.092 . 0 0 "[ . 1 . 2]" 1
108 1 6 THR MG 1 64 GLU HB2 . . 7.000 4.519 3.122 5.824 . 0 0 "[ . 1 . 2]" 1
109 1 6 THR MG 1 64 GLU HB3 . . 7.000 4.841 3.609 7.050 0.050 14 0 "[ . 1 . 2]" 1
110 1 6 THR MG 1 64 GLU QG . . 8.000 5.084 3.447 6.177 . 0 0 "[ . 1 . 2]" 1
111 1 7 VAL H 1 7 VAL HB . . 3.300 3.169 3.026 3.250 . 0 0 "[ . 1 . 2]" 1
112 1 7 VAL H 1 8 PRO HD2 . . 5.500 4.533 4.352 4.821 . 0 0 "[ . 1 . 2]" 1
113 1 7 VAL H 1 8 PRO QD . . 5.230 3.711 3.513 4.044 . 0 0 "[ . 1 . 2]" 1
114 1 7 VAL H 1 8 PRO HD3 . . 5.500 3.941 3.683 4.343 . 0 0 "[ . 1 . 2]" 1
115 1 7 VAL H 1 10 ILE MD . . 7.000 4.688 4.131 5.878 . 0 0 "[ . 1 . 2]" 1
116 1 7 VAL H 1 40 LYS HA . . 3.600 3.086 2.452 3.477 . 0 0 "[ . 1 . 2]" 1
117 1 7 VAL H 1 40 LYS QG . . 6.880 5.724 5.291 6.144 . 0 0 "[ . 1 . 2]" 1
118 1 7 VAL H 1 41 VAL QG . . 8.560 3.599 3.202 3.933 . 0 0 "[ . 1 . 2]" 1
119 1 7 VAL HA 1 9 THR H . . 5.200 3.470 3.345 3.595 . 0 0 "[ . 1 . 2]" 1
120 1 7 VAL HA 1 9 THR HB . . 5.700 5.683 4.798 5.841 0.141 2 0 "[ . 1 . 2]" 1
121 1 7 VAL HA 1 63 VAL HA . . 3.700 2.612 2.418 3.043 . 0 0 "[ . 1 . 2]" 1
122 1 7 VAL HA 1 63 VAL MG1 . . 7.000 3.119 2.751 3.839 . 0 0 "[ . 1 . 2]" 1
123 1 7 VAL HA 1 63 VAL MG2 . . 7.000 2.382 2.120 2.867 . 0 0 "[ . 1 . 2]" 1
124 1 7 VAL HA 1 64 GLU H . . 4.200 3.943 3.613 4.284 0.084 16 0 "[ . 1 . 2]" 1
125 1 7 VAL HB 1 10 ILE H . . 4.900 4.968 4.745 5.011 0.111 19 0 "[ . 1 . 2]" 1
126 1 7 VAL HB 1 10 ILE MD . . 6.600 4.933 4.446 5.833 . 0 0 "[ . 1 . 2]" 1
127 1 7 VAL HB 1 63 VAL MG1 . . 7.000 2.824 2.421 3.707 . 0 0 "[ . 1 . 2]" 1
128 1 7 VAL HB 1 63 VAL MG2 . . 7.000 2.291 2.199 2.426 . 0 0 "[ . 1 . 2]" 1
129 1 7 VAL QG 1 9 THR H . . 6.460 2.933 2.667 3.160 . 0 0 "[ . 1 . 2]" 1
130 1 7 VAL QG 1 10 ILE H . . 5.970 2.220 2.008 2.303 . 0 0 "[ . 1 . 2]" 1
131 1 7 VAL QG 1 10 ILE HA . . 8.560 2.566 2.178 2.906 . 0 0 "[ . 1 . 2]" 1
132 1 7 VAL QG 1 41 VAL HB . . 7.660 2.740 2.370 3.158 . 0 0 "[ . 1 . 2]" 1
133 1 7 VAL QG 1 41 VAL QG . . 9.040 2.329 2.032 2.779 . 0 0 "[ . 1 . 2]" 1
134 1 7 VAL QG 1 61 HIS H . . 8.560 5.562 5.189 6.104 . 0 0 "[ . 1 . 2]" 1
135 1 7 VAL QG 1 63 VAL HA . . 8.560 3.821 3.612 4.044 . 0 0 "[ . 1 . 2]" 1
136 1 7 VAL QG 1 63 VAL QG . . 9.430 2.239 1.999 2.671 . 0 0 "[ . 1 . 2]" 1
137 1 7 VAL QG 1 64 GLU H . . 8.160 5.033 4.828 5.349 . 0 0 "[ . 1 . 2]" 1
138 1 7 VAL MG1 1 10 ILE H . . 7.000 3.551 3.318 4.139 . 0 0 "[ . 1 . 2]" 1
139 1 7 VAL MG1 1 41 VAL MG1 . . 11.120 2.373 2.057 2.896 . 0 0 "[ . 1 . 2]" 1
140 1 7 VAL MG1 1 41 VAL MG2 . . 11.120 3.815 3.546 4.189 . 0 0 "[ . 1 . 2]" 1
141 1 7 VAL MG1 1 63 VAL MG1 . . 11.120 3.891 3.500 4.669 . 0 0 "[ . 1 . 2]" 1
142 1 7 VAL MG1 1 63 VAL MG2 . . 11.120 3.607 3.447 3.785 . 0 0 "[ . 1 . 2]" 1
143 1 7 VAL MG2 1 10 ILE H . . 7.000 2.246 2.012 2.341 . 0 0 "[ . 1 . 2]" 1
144 1 7 VAL MG2 1 41 VAL MG1 . . 11.120 4.014 3.554 4.531 . 0 0 "[ . 1 . 2]" 1
145 1 7 VAL MG2 1 41 VAL MG2 . . 11.120 5.163 4.726 5.705 . 0 0 "[ . 1 . 2]" 1
146 1 7 VAL MG2 1 63 VAL MG1 . . 11.120 3.488 2.752 4.215 . 0 0 "[ . 1 . 2]" 1
147 1 7 VAL MG2 1 63 VAL MG2 . . 11.120 2.437 2.027 3.319 . 0 0 "[ . 1 . 2]" 1
148 1 8 PRO QB 1 9 THR HA . . 6.880 4.273 4.037 4.428 . 0 0 "[ . 1 . 2]" 1
149 1 8 PRO QB 1 9 THR HB . . 6.880 4.385 3.861 5.577 . 0 0 "[ . 1 . 2]" 1
150 1 8 PRO QB 1 9 THR MG . . 7.880 4.697 4.314 5.581 . 0 0 "[ . 1 . 2]" 1
151 1 8 PRO QD 1 9 THR H . . 4.950 2.595 2.354 2.781 . 0 0 "[ . 1 . 2]" 1
152 1 8 PRO QD 1 9 THR HA . . 6.880 5.202 4.968 5.354 . 0 0 "[ . 1 . 2]" 1
153 1 8 PRO QD 1 9 THR HB . . 5.790 4.366 3.993 4.614 . 0 0 "[ . 1 . 2]" 1
154 1 8 PRO QD 1 62 GLU QB . . 7.750 3.614 3.350 3.774 . 0 0 "[ . 1 . 2]" 1
155 1 8 PRO QD 1 62 GLU QG . . 6.820 5.317 5.209 5.433 . 0 0 "[ . 1 . 2]" 1
156 1 8 PRO QD 1 63 VAL QG . . 7.080 3.167 2.963 3.418 . 0 0 "[ . 1 . 2]" 1
157 1 8 PRO QD 1 64 GLU H . . 5.300 3.431 3.040 3.797 . 0 0 "[ . 1 . 2]" 1
158 1 8 PRO QD 1 64 GLU QB . . 7.750 4.242 3.567 5.126 . 0 0 "[ . 1 . 2]" 1
159 1 8 PRO QD 1 64 GLU QG . . 7.880 5.095 3.452 6.130 . 0 0 "[ . 1 . 2]" 1
160 1 8 PRO HD2 1 9 THR HB . . 6.000 4.503 4.090 4.794 . 0 0 "[ . 1 . 2]" 1
161 1 8 PRO HD2 1 39 LYS QB . . 7.000 5.286 4.724 5.607 . 0 0 "[ . 1 . 2]" 1
162 1 8 PRO HD2 1 62 GLU HG2 . . 7.750 6.174 6.019 6.448 . 0 0 "[ . 1 . 2]" 1
163 1 8 PRO HD2 1 62 GLU HG3 . . 7.750 6.291 5.834 6.486 . 0 0 "[ . 1 . 2]" 1
164 1 8 PRO HD2 1 63 VAL MG1 . . 8.750 4.188 4.007 4.414 . 0 0 "[ . 1 . 2]" 1
165 1 8 PRO HD2 1 63 VAL MG2 . . 8.750 3.516 3.161 4.112 . 0 0 "[ . 1 . 2]" 1
166 1 8 PRO HD2 1 64 GLU H . . 5.800 3.950 3.497 4.418 . 0 0 "[ . 1 . 2]" 1
167 1 8 PRO HD3 1 9 THR HB . . 6.000 5.877 5.581 6.047 0.047 9 0 "[ . 1 . 2]" 1
168 1 8 PRO HD3 1 39 LYS QB . . 7.000 4.658 3.962 5.165 . 0 0 "[ . 1 . 2]" 1
169 1 8 PRO HD3 1 62 GLU HG2 . . 7.750 7.694 7.381 7.783 0.033 6 0 "[ . 1 . 2]" 1
170 1 8 PRO HD3 1 62 GLU HG3 . . 7.750 7.649 7.374 7.796 0.046 16 0 "[ . 1 . 2]" 1
171 1 8 PRO HD3 1 63 VAL MG1 . . 8.750 4.682 4.283 5.545 . 0 0 "[ . 1 . 2]" 1
172 1 8 PRO HD3 1 63 VAL MG2 . . 8.750 4.400 3.630 4.802 . 0 0 "[ . 1 . 2]" 1
173 1 8 PRO HD3 1 64 GLU H . . 5.800 3.777 3.269 4.329 . 0 0 "[ . 1 . 2]" 1
174 1 8 PRO QG 1 9 THR HB . . 7.000 3.360 3.049 4.460 . 0 0 "[ . 1 . 2]" 1
175 1 8 PRO QG 1 10 ILE H . . 7.000 5.032 4.929 5.605 . 0 0 "[ . 1 . 2]" 1
176 1 8 PRO QG 1 61 HIS QB . . 7.880 5.504 5.273 5.689 . 0 0 "[ . 1 . 2]" 1
177 1 9 THR H 1 9 THR HB . . 3.900 2.553 2.323 2.751 . 0 0 "[ . 1 . 2]" 1
178 1 9 THR H 1 9 THR MG . . 4.100 2.216 1.804 3.761 . 0 0 "[ . 1 . 2]" 1
179 1 9 THR H 1 10 ILE H . . 3.700 2.923 2.658 3.159 . 0 0 "[ . 1 . 2]" 1
180 1 9 THR H 1 62 GLU H . . 4.300 4.257 3.975 4.356 0.056 10 0 "[ . 1 . 2]" 1
181 1 9 THR H 1 62 GLU QB . . 6.480 3.806 3.442 4.329 . 0 0 "[ . 1 . 2]" 1
182 1 9 THR HA 1 9 THR HB . . 2.700 2.492 2.345 2.923 0.223 14 0 "[ . 1 . 2]" 1
183 1 9 THR HA 1 63 VAL QG . . 8.560 6.241 6.010 6.448 . 0 0 "[ . 1 . 2]" 1
184 1 9 THR HB 1 10 ILE H . . 5.200 4.429 1.988 4.688 . 0 0 "[ . 1 . 2]" 1
185 1 9 THR MG 1 10 ILE H . . 7.000 3.361 2.083 3.950 . 0 0 "[ . 1 . 2]" 1
186 1 9 THR MG 1 61 HIS HA . . 7.000 2.270 2.098 2.498 . 0 0 "[ . 1 . 2]" 1
187 1 9 THR MG 1 62 GLU H . . 5.300 1.885 1.725 2.668 . 0 0 "[ . 1 . 2]" 1
188 1 9 THR MG 1 62 GLU HB2 . . 6.500 2.885 2.397 4.140 . 0 0 "[ . 1 . 2]" 1
189 1 9 THR MG 1 62 GLU QB . . 6.190 2.837 2.372 4.003 . 0 0 "[ . 1 . 2]" 1
190 1 9 THR MG 1 62 GLU HB3 . . 6.500 4.235 3.796 5.311 . 0 0 "[ . 1 . 2]" 1
191 1 9 THR MG 1 62 GLU QG . . 7.880 2.982 2.226 4.228 . 0 0 "[ . 1 . 2]" 1
192 1 10 ILE H 1 10 ILE HB . . 4.000 2.191 1.982 3.043 . 0 0 "[ . 1 . 2]" 1
193 1 10 ILE H 1 10 ILE MD . . 5.800 4.143 3.961 4.649 . 0 0 "[ . 1 . 2]" 1
194 1 10 ILE H 1 10 ILE HG12 . . 4.000 4.114 4.073 4.159 0.159 5 0 "[ . 1 . 2]" 1
195 1 10 ILE H 1 10 ILE QG . . 3.650 3.148 3.034 3.284 . 0 0 "[ . 1 . 2]" 1
196 1 10 ILE H 1 10 ILE HG13 . . 4.000 3.269 3.127 3.440 . 0 0 "[ . 1 . 2]" 1
197 1 10 ILE H 1 11 ALA H . . 5.000 4.586 4.007 4.666 . 0 0 "[ . 1 . 2]" 1
198 1 10 ILE HA 1 12 CYS HB2 . . 6.000 5.221 4.565 5.731 . 0 0 "[ . 1 . 2]" 1
199 1 10 ILE HA 1 12 CYS HB3 . . 6.000 4.729 4.336 6.072 0.072 10 0 "[ . 1 . 2]" 1
200 1 10 ILE HA 1 61 HIS HE1 . . 6.000 3.675 3.152 5.445 . 0 0 "[ . 1 . 2]" 1
201 1 10 ILE MD 1 36 LEU HA . . 7.000 2.592 2.146 3.201 . 0 0 "[ . 1 . 2]" 1
202 1 10 ILE MD 1 36 LEU QD . . 9.270 3.106 2.124 3.819 . 0 0 "[ . 1 . 2]" 1
203 1 10 ILE MD 1 39 LYS H . . 6.600 4.560 4.092 5.136 . 0 0 "[ . 1 . 2]" 1
204 1 10 ILE MD 1 39 LYS HA . . 7.000 2.455 2.143 3.310 . 0 0 "[ . 1 . 2]" 1
205 1 10 ILE MD 1 39 LYS QB . . 8.000 3.703 3.273 4.015 . 0 0 "[ . 1 . 2]" 1
206 1 10 ILE MD 1 40 LYS H . . 7.000 3.575 2.682 4.779 . 0 0 "[ . 1 . 2]" 1
207 1 10 ILE QG 1 12 CYS QB . . 7.750 5.525 4.767 5.972 . 0 0 "[ . 1 . 2]" 1
208 1 10 ILE QG 1 15 CYS H . . 6.880 5.451 4.802 6.087 . 0 0 "[ . 1 . 2]" 1
209 1 10 ILE QG 1 16 ALA H . . 6.080 2.543 2.174 3.455 . 0 0 "[ . 1 . 2]" 1
210 1 10 ILE QG 1 36 LEU HA . . 6.880 4.550 4.190 5.111 . 0 0 "[ . 1 . 2]" 1
211 1 10 ILE QG 1 36 LEU QB . . 7.750 5.405 4.700 6.018 . 0 0 "[ . 1 . 2]" 1
212 1 10 ILE QG 1 36 LEU QD . . 9.450 3.849 2.951 4.426 . 0 0 "[ . 1 . 2]" 1
213 1 10 ILE QG 1 39 LYS HA . . 6.880 3.955 3.544 4.280 . 0 0 "[ . 1 . 2]" 1
214 1 10 ILE HG12 1 12 CYS H . . 5.700 4.921 3.398 5.239 . 0 0 "[ . 1 . 2]" 1
215 1 10 ILE HG12 1 36 LEU HG . . 6.000 4.662 3.739 5.377 . 0 0 "[ . 1 . 2]" 1
216 1 10 ILE HG13 1 12 CYS H . . 5.700 5.654 4.877 5.759 0.059 5 0 "[ . 1 . 2]" 1
217 1 10 ILE HG13 1 36 LEU HG . . 6.000 5.633 4.960 6.086 0.086 18 0 "[ . 1 . 2]" 1
218 1 10 ILE MG 1 12 CYS HB2 . . 7.000 5.508 2.159 5.874 . 0 0 "[ . 1 . 2]" 1
219 1 10 ILE MG 1 12 CYS HB3 . . 7.000 5.742 3.429 5.921 . 0 0 "[ . 1 . 2]" 1
220 1 10 ILE MG 1 61 HIS HE1 . . 7.000 5.705 5.318 5.868 . 0 0 "[ . 1 . 2]" 1
221 1 11 ALA H 1 12 CYS H . . 4.700 2.919 2.694 3.253 . 0 0 "[ . 1 . 2]" 1
222 1 11 ALA H 1 15 CYS H . . 5.100 3.920 3.349 4.685 . 0 0 "[ . 1 . 2]" 1
223 1 11 ALA H 1 16 ALA H . . 3.100 2.989 2.354 3.142 0.042 17 0 "[ . 1 . 2]" 1
224 1 11 ALA HA 1 12 CYS QB . . 6.280 4.790 3.720 5.124 . 0 0 "[ . 1 . 2]" 1
225 1 11 ALA MB 1 15 CYS H . . 6.000 4.663 2.792 5.018 . 0 0 "[ . 1 . 2]" 1
226 1 12 CYS QB 1 13 GLU H . . 5.680 2.808 2.206 3.992 . 0 0 "[ . 1 . 2]" 1
227 1 12 CYS HB2 1 61 HIS HE1 . . 6.000 5.265 4.225 6.026 0.026 10 0 "[ . 1 . 2]" 1
228 1 12 CYS HB3 1 61 HIS HE1 . . 6.000 3.844 2.610 5.206 . 0 0 "[ . 1 . 2]" 1
229 1 13 GLU H 1 13 GLU QG . . 5.100 3.929 2.231 4.506 . 0 0 "[ . 1 . 2]" 1
230 1 13 GLU H 1 14 ALA H . . 5.000 3.155 2.111 4.012 . 0 0 "[ . 1 . 2]" 1
231 1 13 GLU H 1 15 CYS H . . 3.300 3.212 2.713 3.439 0.139 1 0 "[ . 1 . 2]" 1
232 1 13 GLU HA 1 15 CYS H . . 5.100 4.626 3.883 5.118 0.018 18 0 "[ . 1 . 2]" 1
233 1 14 ALA H 1 15 CYS H . . 3.200 2.696 1.980 3.281 0.081 8 0 "[ . 1 . 2]" 1
234 1 15 CYS H 1 16 ALA H . . 4.100 4.161 4.031 4.271 0.171 14 0 "[ . 1 . 2]" 1
235 1 15 CYS H 1 16 ALA HA . . 6.000 5.170 4.402 5.413 . 0 0 "[ . 1 . 2]" 1
236 1 15 CYS HA 1 17 GLU H . . 6.000 4.171 3.937 4.557 . 0 0 "[ . 1 . 2]" 1
237 1 15 CYS HA 1 18 ALA H . . 4.800 4.758 4.575 4.831 0.031 1 0 "[ . 1 . 2]" 1
238 1 15 CYS HA 1 18 ALA MB . . 5.800 4.822 4.666 4.864 . 0 0 "[ . 1 . 2]" 1
239 1 15 CYS QB 1 16 ALA H . . 4.980 2.924 2.407 3.689 . 0 0 "[ . 1 . 2]" 1
240 1 16 ALA H 1 16 ALA MB . . 3.400 2.244 2.179 2.307 . 0 0 "[ . 1 . 2]" 1
241 1 16 ALA H 1 17 GLU H . . 3.900 2.905 2.757 3.053 . 0 0 "[ . 1 . 2]" 1
242 1 16 ALA H 1 17 GLU HA . . 5.900 5.431 5.315 5.526 . 0 0 "[ . 1 . 2]" 1
243 1 16 ALA H 1 17 GLU QB . . 6.580 4.829 4.348 5.195 . 0 0 "[ . 1 . 2]" 1
244 1 16 ALA H 1 36 LEU MD1 . . 7.000 4.982 3.252 5.833 . 0 0 "[ . 1 . 2]" 1
245 1 16 ALA H 1 36 LEU MD2 . . 7.000 3.691 2.492 5.250 . 0 0 "[ . 1 . 2]" 1
246 1 16 ALA HA 1 19 VAL H . . 4.500 3.239 2.810 3.825 . 0 0 "[ . 1 . 2]" 1
247 1 16 ALA HA 1 19 VAL HB . . 5.800 3.891 3.469 4.545 . 0 0 "[ . 1 . 2]" 1
248 1 16 ALA HA 1 19 VAL MG1 . . 7.000 3.533 2.760 4.344 . 0 0 "[ . 1 . 2]" 1
249 1 16 ALA HA 1 19 VAL MG2 . . 7.000 5.275 4.888 5.779 . 0 0 "[ . 1 . 2]" 1
250 1 16 ALA HA 1 20 THR H . . 6.000 4.693 3.917 5.585 . 0 0 "[ . 1 . 2]" 1
251 1 16 ALA MB 1 17 GLU H . . 4.300 2.848 2.308 3.100 . 0 0 "[ . 1 . 2]" 1
252 1 16 ALA MB 1 17 GLU HA . . 4.900 3.983 3.759 4.110 . 0 0 "[ . 1 . 2]" 1
253 1 16 ALA MB 1 34 VAL HB . . 7.000 3.981 3.207 4.710 . 0 0 "[ . 1 . 2]" 1
254 1 16 ALA MB 1 34 VAL MG1 . . 8.000 3.302 2.249 4.307 . 0 0 "[ . 1 . 2]" 1
255 1 16 ALA MB 1 34 VAL MG2 . . 8.000 2.181 1.906 2.761 . 0 0 "[ . 1 . 2]" 1
256 1 16 ALA MB 1 36 LEU MD1 . . 8.000 3.864 2.042 4.925 . 0 0 "[ . 1 . 2]" 1
257 1 16 ALA MB 1 36 LEU QD . . 7.400 3.212 2.037 4.082 . 0 0 "[ . 1 . 2]" 1
258 1 16 ALA MB 1 36 LEU MD2 . . 8.000 3.624 2.211 4.640 . 0 0 "[ . 1 . 2]" 1
259 1 16 ALA MB 1 36 LEU HG . . 6.800 3.680 2.525 4.565 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLU H 1 17 GLU QB . . 3.810 2.317 1.995 2.613 . 0 0 "[ . 1 . 2]" 1
261 1 17 GLU H 1 17 GLU HG2 . . 3.900 3.144 2.143 3.955 0.055 15 0 "[ . 1 . 2]" 1
262 1 17 GLU H 1 17 GLU QG . . 3.650 2.682 2.122 3.282 . 0 0 "[ . 1 . 2]" 1
263 1 17 GLU H 1 17 GLU HG3 . . 3.900 3.173 2.363 3.984 0.084 5 0 "[ . 1 . 2]" 1
264 1 17 GLU H 1 18 ALA H . . 3.800 2.868 2.718 3.150 . 0 0 "[ . 1 . 2]" 1
265 1 17 GLU H 1 19 VAL H . . 4.600 4.533 4.314 4.638 0.038 15 0 "[ . 1 . 2]" 1
266 1 17 GLU H 1 36 LEU QB . . 6.880 6.140 5.935 6.184 . 0 0 "[ . 1 . 2]" 1
267 1 17 GLU HA 1 20 THR H . . 4.400 3.001 2.534 3.414 . 0 0 "[ . 1 . 2]" 1
268 1 17 GLU HA 1 20 THR HB . . 4.200 2.268 2.115 2.836 . 0 0 "[ . 1 . 2]" 1
269 1 17 GLU HA 1 20 THR HG1 . . 6.000 2.789 2.255 3.608 . 0 0 "[ . 1 . 2]" 1
270 1 17 GLU HA 1 21 LYS H . . 4.900 3.985 3.733 4.414 . 0 0 "[ . 1 . 2]" 1
271 1 17 GLU HA 1 36 LEU MD1 . . 7.000 4.723 4.246 5.048 . 0 0 "[ . 1 . 2]" 1
272 1 17 GLU HA 1 36 LEU MD2 . . 7.000 5.139 4.692 5.615 . 0 0 "[ . 1 . 2]" 1
273 1 17 GLU QB 1 18 ALA H . . 4.450 3.424 2.801 3.849 . 0 0 "[ . 1 . 2]" 1
274 1 17 GLU HB2 1 18 ALA H . . 5.100 3.846 3.017 4.436 . 0 0 "[ . 1 . 2]" 1
275 1 17 GLU HB3 1 18 ALA H . . 5.100 3.869 2.997 4.395 . 0 0 "[ . 1 . 2]" 1
276 1 17 GLU QG 1 18 ALA H . . 5.690 3.379 2.363 4.767 . 0 0 "[ . 1 . 2]" 1
277 1 17 GLU QG 1 21 LYS H . . 6.880 5.204 4.106 5.794 . 0 0 "[ . 1 . 2]" 1
278 1 17 GLU QG 1 36 LEU QD . . 9.450 3.066 2.503 3.928 . 0 0 "[ . 1 . 2]" 1
279 1 17 GLU HG2 1 18 ALA H . . 6.000 4.347 2.697 5.197 . 0 0 "[ . 1 . 2]" 1
280 1 17 GLU HG3 1 18 ALA H . . 6.000 3.703 2.378 5.543 . 0 0 "[ . 1 . 2]" 1
281 1 18 ALA H 1 18 ALA MB . . 3.400 2.211 2.183 2.227 . 0 0 "[ . 1 . 2]" 1
282 1 18 ALA H 1 19 VAL H . . 3.300 2.895 2.782 3.006 . 0 0 "[ . 1 . 2]" 1
283 1 18 ALA HA 1 20 THR H . . 5.700 4.530 4.400 4.730 . 0 0 "[ . 1 . 2]" 1
284 1 18 ALA HA 1 21 LYS H . . 4.400 3.661 3.330 3.876 . 0 0 "[ . 1 . 2]" 1
285 1 18 ALA HA 1 21 LYS QB . . 6.300 3.305 2.941 3.863 . 0 0 "[ . 1 . 2]" 1
286 1 18 ALA HA 1 21 LYS QD . . 7.000 4.724 3.523 5.628 . 0 0 "[ . 1 . 2]" 1
287 1 18 ALA HA 1 21 LYS QG . . 6.880 3.129 2.573 3.819 . 0 0 "[ . 1 . 2]" 1
288 1 18 ALA HA 1 22 ALA H . . 5.000 4.198 3.958 4.631 . 0 0 "[ . 1 . 2]" 1
289 1 18 ALA MB 1 19 VAL H . . 4.100 2.483 2.287 2.647 . 0 0 "[ . 1 . 2]" 1
290 1 18 ALA MB 1 59 ALA HA . . 7.000 5.384 3.865 5.795 . 0 0 "[ . 1 . 2]" 1
291 1 18 ALA MB 1 59 ALA MB . . 6.900 3.473 2.496 3.822 . 0 0 "[ . 1 . 2]" 1
292 1 19 VAL H 1 19 VAL HB . . 3.500 2.459 2.403 2.589 . 0 0 "[ . 1 . 2]" 1
293 1 19 VAL H 1 19 VAL MG1 . . 4.700 2.792 2.678 2.946 . 0 0 "[ . 1 . 2]" 1
294 1 19 VAL H 1 19 VAL MG2 . . 4.700 3.769 3.721 3.855 . 0 0 "[ . 1 . 2]" 1
295 1 19 VAL H 1 20 THR H . . 3.700 2.578 2.485 2.730 . 0 0 "[ . 1 . 2]" 1
296 1 19 VAL H 1 21 LYS H . . 5.100 4.348 4.159 4.568 . 0 0 "[ . 1 . 2]" 1
297 1 19 VAL H 1 41 VAL QG . . 8.560 5.837 5.451 6.098 . 0 0 "[ . 1 . 2]" 1
298 1 19 VAL HA 1 21 LYS H . . 5.800 4.503 4.354 4.637 . 0 0 "[ . 1 . 2]" 1
299 1 19 VAL HA 1 22 ALA H . . 4.100 3.293 3.040 3.569 . 0 0 "[ . 1 . 2]" 1
300 1 19 VAL HA 1 22 ALA MB . . 5.100 2.411 2.264 2.853 . 0 0 "[ . 1 . 2]" 1
301 1 19 VAL HA 1 56 ILE MG . . 7.000 5.844 5.487 5.897 . 0 0 "[ . 1 . 2]" 1
302 1 19 VAL HA 1 59 ALA MB . . 6.300 4.208 3.618 4.871 . 0 0 "[ . 1 . 2]" 1
303 1 19 VAL HB 1 20 THR H . . 3.800 3.804 3.749 3.838 0.038 14 0 "[ . 1 . 2]" 1
304 1 19 VAL HB 1 41 VAL QG . . 8.560 5.254 4.842 5.847 . 0 0 "[ . 1 . 2]" 1
305 1 19 VAL QG 1 20 THR H . . 5.610 2.298 2.156 2.447 . 0 0 "[ . 1 . 2]" 1
306 1 19 VAL QG 1 20 THR HA . . 8.560 3.053 2.861 3.301 . 0 0 "[ . 1 . 2]" 1
307 1 19 VAL QG 1 21 LYS H . . 8.560 4.407 4.272 4.521 . 0 0 "[ . 1 . 2]" 1
308 1 19 VAL QG 1 22 ALA H . . 7.960 4.130 3.807 4.233 . 0 0 "[ . 1 . 2]" 1
309 1 19 VAL QG 1 27 ASP QB . . 9.560 6.377 6.282 6.420 . 0 0 "[ . 1 . 2]" 1
310 1 19 VAL QG 1 56 ILE H . . 8.560 2.796 2.625 2.987 . 0 0 "[ . 1 . 2]" 1
311 1 19 VAL QG 1 56 ILE MD . . 8.360 2.806 1.819 3.373 . 0 0 "[ . 1 . 2]" 1
312 1 19 VAL QG 1 56 ILE QG . . 9.560 1.920 1.808 2.163 . 0 0 "[ . 1 . 2]" 1
313 1 19 VAL QG 1 56 ILE MG . . 9.560 3.269 2.991 3.705 . 0 0 "[ . 1 . 2]" 1
314 1 19 VAL MG1 1 20 THR H . . 6.300 2.311 2.166 2.464 . 0 0 "[ . 1 . 2]" 1
315 1 19 VAL MG1 1 56 ILE HB . . 7.000 5.398 4.761 5.886 . 0 0 "[ . 1 . 2]" 1
316 1 19 VAL MG1 1 61 HIS HD2 . . 7.000 5.130 4.193 5.853 . 0 0 "[ . 1 . 2]" 1
317 1 19 VAL MG2 1 20 THR H . . 6.300 4.027 3.899 4.174 . 0 0 "[ . 1 . 2]" 1
318 1 19 VAL MG2 1 56 ILE HB . . 7.000 3.949 3.765 4.068 . 0 0 "[ . 1 . 2]" 1
319 1 19 VAL MG2 1 61 HIS HD2 . . 7.000 4.395 3.726 5.342 . 0 0 "[ . 1 . 2]" 1
320 1 20 THR H 1 20 THR HB . . 3.400 2.469 2.227 2.698 . 0 0 "[ . 1 . 2]" 1
321 1 20 THR H 1 20 THR HG1 . . 3.000 2.350 1.960 3.039 0.039 5 0 "[ . 1 . 2]" 1
322 1 20 THR H 1 21 LYS H . . 3.700 2.901 2.768 3.004 . 0 0 "[ . 1 . 2]" 1
323 1 20 THR H 1 22 ALA H . . 4.200 4.187 4.109 4.284 0.084 15 0 "[ . 1 . 2]" 1
324 1 20 THR H 1 32 VAL QG . . 8.160 4.783 4.181 5.241 . 0 0 "[ . 1 . 2]" 1
325 1 20 THR HA 1 22 ALA H . . 5.900 4.558 4.271 4.670 . 0 0 "[ . 1 . 2]" 1
326 1 20 THR HA 1 23 VAL H . . 4.600 3.773 3.586 3.910 . 0 0 "[ . 1 . 2]" 1
327 1 20 THR HA 1 23 VAL HB . . 5.600 2.892 2.602 3.130 . 0 0 "[ . 1 . 2]" 1
328 1 20 THR HA 1 23 VAL MG1 . . 7.000 4.152 3.745 4.380 . 0 0 "[ . 1 . 2]" 1
329 1 20 THR HA 1 23 VAL MG2 . . 7.000 3.498 2.900 3.977 . 0 0 "[ . 1 . 2]" 1
330 1 20 THR HA 1 24 GLN H . . 5.100 3.892 3.761 4.107 . 0 0 "[ . 1 . 2]" 1
331 1 20 THR HA 1 32 VAL HB . . 6.000 4.561 4.250 4.759 . 0 0 "[ . 1 . 2]" 1
332 1 20 THR HA 1 32 VAL MG1 . . 6.500 2.985 2.584 3.469 . 0 0 "[ . 1 . 2]" 1
333 1 20 THR HA 1 32 VAL QG . . 6.010 2.935 2.555 3.373 . 0 0 "[ . 1 . 2]" 1
334 1 20 THR HA 1 32 VAL MG2 . . 6.500 4.373 3.995 4.703 . 0 0 "[ . 1 . 2]" 1
335 1 20 THR HA 1 43 ILE MG . . 7.000 5.419 4.909 5.863 . 0 0 "[ . 1 . 2]" 1
336 1 20 THR HB 1 21 LYS H . . 3.300 2.548 2.338 2.846 . 0 0 "[ . 1 . 2]" 1
337 1 20 THR HB 1 22 ALA H . . 6.000 4.995 4.812 5.251 . 0 0 "[ . 1 . 2]" 1
338 1 20 THR HB 1 32 VAL QG . . 8.560 3.813 3.328 4.034 . 0 0 "[ . 1 . 2]" 1
339 1 20 THR HG1 1 21 LYS H . . 5.900 4.295 3.936 4.709 . 0 0 "[ . 1 . 2]" 1
340 1 20 THR MG 1 21 LYS H . . 5.100 3.116 2.733 3.425 . 0 0 "[ . 1 . 2]" 1
341 1 20 THR MG 1 23 VAL H . . 7.000 5.100 4.917 5.234 . 0 0 "[ . 1 . 2]" 1
342 1 20 THR MG 1 24 GLN H . . 6.900 4.159 3.967 4.314 . 0 0 "[ . 1 . 2]" 1
343 1 20 THR MG 1 24 GLN HE21 . . 6.200 3.885 3.209 4.523 . 0 0 "[ . 1 . 2]" 1
344 1 20 THR MG 1 24 GLN QE . . 5.940 3.668 3.121 4.149 . 0 0 "[ . 1 . 2]" 1
345 1 20 THR MG 1 24 GLN HE22 . . 6.200 4.635 4.016 5.104 . 0 0 "[ . 1 . 2]" 1
346 1 20 THR MG 1 32 VAL QG . . 9.560 1.816 1.781 1.857 . 0 0 "[ . 1 . 2]" 1
347 1 21 LYS H 1 21 LYS QB . . 3.900 2.593 2.373 2.897 . 0 0 "[ . 1 . 2]" 1
348 1 21 LYS H 1 21 LYS QD . . 4.700 4.070 3.877 4.194 . 0 0 "[ . 1 . 2]" 1
349 1 21 LYS H 1 21 LYS HG2 . . 3.600 2.422 2.006 3.112 . 0 0 "[ . 1 . 2]" 1
350 1 21 LYS H 1 21 LYS QG . . 3.390 2.107 1.976 2.251 . 0 0 "[ . 1 . 2]" 1
351 1 21 LYS H 1 21 LYS HG3 . . 3.600 2.531 1.999 3.244 . 0 0 "[ . 1 . 2]" 1
352 1 21 LYS H 1 22 ALA H . . 3.600 2.701 2.630 2.811 . 0 0 "[ . 1 . 2]" 1
353 1 21 LYS H 1 23 VAL H . . 4.600 4.424 4.234 4.567 . 0 0 "[ . 1 . 2]" 1
354 1 21 LYS HA 1 23 VAL H . . 5.500 4.729 4.479 4.909 . 0 0 "[ . 1 . 2]" 1
355 1 21 LYS HA 1 24 GLN H . . 3.900 3.589 3.336 3.887 . 0 0 "[ . 1 . 2]" 1
356 1 21 LYS HA 1 24 GLN HB2 . . 5.900 2.566 2.321 2.794 . 0 0 "[ . 1 . 2]" 1
357 1 21 LYS HA 1 24 GLN QB . . 5.350 2.542 2.304 2.765 . 0 0 "[ . 1 . 2]" 1
358 1 21 LYS HA 1 24 GLN HB3 . . 5.900 4.122 3.871 4.401 . 0 0 "[ . 1 . 2]" 1
359 1 21 LYS HA 1 24 GLN QG . . 6.880 3.139 2.781 3.998 . 0 0 "[ . 1 . 2]" 1
360 1 21 LYS QB 1 22 ALA H . . 5.100 2.658 2.427 2.891 . 0 0 "[ . 1 . 2]" 1
361 1 21 LYS QB 1 23 VAL H . . 6.900 4.984 4.696 5.153 . 0 0 "[ . 1 . 2]" 1
362 1 21 LYS QB 1 24 GLN H . . 6.100 5.007 4.809 5.184 . 0 0 "[ . 1 . 2]" 1
363 1 21 LYS QB 1 25 ASN HD21 . . 7.000 5.164 4.190 5.956 . 0 0 "[ . 1 . 2]" 1
364 1 21 LYS QB 1 25 ASN HD22 . . 7.000 4.403 3.564 4.986 . 0 0 "[ . 1 . 2]" 1
365 1 21 LYS QD 1 22 ALA H . . 6.600 5.244 4.934 5.531 . 0 0 "[ . 1 . 2]" 1
366 1 21 LYS QG 1 22 ALA H . . 4.370 3.890 3.565 3.970 . 0 0 "[ . 1 . 2]" 1
367 1 21 LYS HG2 1 22 ALA H . . 5.100 4.507 4.271 4.891 . 0 0 "[ . 1 . 2]" 1
368 1 21 LYS HG3 1 22 ALA H . . 5.100 4.279 3.774 4.660 . 0 0 "[ . 1 . 2]" 1
369 1 22 ALA H 1 22 ALA MB . . 3.400 2.262 2.209 2.300 . 0 0 "[ . 1 . 2]" 1
370 1 22 ALA H 1 23 VAL H . . 3.000 2.801 2.502 2.924 . 0 0 "[ . 1 . 2]" 1
371 1 22 ALA H 1 23 VAL HB . . 4.800 4.809 4.709 4.843 0.043 10 0 "[ . 1 . 2]" 1
372 1 22 ALA H 1 23 VAL QG . . 8.560 4.181 3.817 4.319 . 0 0 "[ . 1 . 2]" 1
373 1 22 ALA H 1 24 GLN H . . 4.800 4.158 3.973 4.259 . 0 0 "[ . 1 . 2]" 1
374 1 22 ALA HA 1 23 VAL HA . . 6.000 4.861 4.792 4.929 . 0 0 "[ . 1 . 2]" 1
375 1 22 ALA HA 1 25 ASN H . . 4.600 3.610 3.207 3.790 . 0 0 "[ . 1 . 2]" 1
376 1 22 ALA HA 1 25 ASN HB2 . . 5.800 3.826 2.726 4.223 . 0 0 "[ . 1 . 2]" 1
377 1 22 ALA HA 1 25 ASN QB . . 5.630 3.722 2.696 4.103 . 0 0 "[ . 1 . 2]" 1
378 1 22 ALA HA 1 25 ASN HB3 . . 5.800 5.134 4.259 5.572 . 0 0 "[ . 1 . 2]" 1
379 1 22 ALA HA 1 25 ASN HD21 . . 6.000 2.519 2.088 4.227 . 0 0 "[ . 1 . 2]" 1
380 1 22 ALA HA 1 25 ASN QD . . 5.640 2.314 1.986 3.205 . 0 0 "[ . 1 . 2]" 1
381 1 22 ALA HA 1 25 ASN HD22 . . 6.000 2.836 2.377 3.792 . 0 0 "[ . 1 . 2]" 1
382 1 22 ALA MB 1 23 VAL H . . 3.400 2.271 2.187 2.402 . 0 0 "[ . 1 . 2]" 1
383 1 22 ALA MB 1 24 GLN H . . 5.300 4.439 4.413 4.493 . 0 0 "[ . 1 . 2]" 1
384 1 22 ALA MB 1 25 ASN H . . 5.300 4.453 4.320 4.489 . 0 0 "[ . 1 . 2]" 1
385 1 22 ALA MB 1 25 ASN HD21 . . 7.000 3.733 3.306 5.575 . 0 0 "[ . 1 . 2]" 1
386 1 22 ALA MB 1 25 ASN HD22 . . 7.000 4.241 3.851 4.983 . 0 0 "[ . 1 . 2]" 1
387 1 22 ALA MB 1 58 SER QB . . 7.880 4.177 3.084 4.686 . 0 0 "[ . 1 . 2]" 1
388 1 23 VAL H 1 23 VAL HB . . 3.000 2.418 2.296 2.658 . 0 0 "[ . 1 . 2]" 1
389 1 23 VAL H 1 24 GLN H . . 3.200 2.748 2.603 2.812 . 0 0 "[ . 1 . 2]" 1
390 1 23 VAL H 1 24 GLN HA . . 6.000 5.359 5.251 5.400 . 0 0 "[ . 1 . 2]" 1
391 1 23 VAL H 1 24 GLN HG2 . . 6.000 4.894 4.632 5.779 . 0 0 "[ . 1 . 2]" 1
392 1 23 VAL H 1 24 GLN HG3 . . 6.000 5.433 4.667 5.701 . 0 0 "[ . 1 . 2]" 1
393 1 23 VAL H 1 25 ASN H . . 4.800 4.066 3.908 4.220 . 0 0 "[ . 1 . 2]" 1
394 1 23 VAL H 1 32 VAL QG . . 7.660 5.407 5.024 5.657 . 0 0 "[ . 1 . 2]" 1
395 1 23 VAL HA 1 25 ASN H . . 5.500 3.842 3.610 4.188 . 0 0 "[ . 1 . 2]" 1
396 1 23 VAL HA 1 26 GLU H . . 4.500 3.670 3.353 4.006 . 0 0 "[ . 1 . 2]" 1
397 1 23 VAL HA 1 26 GLU HB2 . . 6.000 3.712 3.137 4.133 . 0 0 "[ . 1 . 2]" 1
398 1 23 VAL HA 1 26 GLU HB3 . . 6.000 5.457 4.842 5.908 . 0 0 "[ . 1 . 2]" 1
399 1 23 VAL HA 1 26 GLU HG2 . . 6.000 5.210 4.197 6.047 0.047 19 0 "[ . 1 . 2]" 1
400 1 23 VAL HA 1 26 GLU HG3 . . 6.000 4.447 3.859 5.298 . 0 0 "[ . 1 . 2]" 1
401 1 23 VAL HA 1 27 ASP H . . 5.600 3.835 3.392 4.053 . 0 0 "[ . 1 . 2]" 1
402 1 23 VAL HA 1 47 LEU QD . . 8.570 5.474 5.104 5.745 . 0 0 "[ . 1 . 2]" 1
403 1 23 VAL HA 1 52 LEU QD . . 8.570 4.897 4.596 5.190 . 0 0 "[ . 1 . 2]" 1
404 1 23 VAL HA 1 55 ALA MB . . 7.000 3.195 2.790 3.472 . 0 0 "[ . 1 . 2]" 1
405 1 23 VAL HB 1 24 GLN H . . 3.200 2.621 2.484 2.713 . 0 0 "[ . 1 . 2]" 1
406 1 23 VAL HB 1 32 VAL QG . . 8.560 3.913 3.265 4.315 . 0 0 "[ . 1 . 2]" 1
407 1 23 VAL QG 1 25 ASN H . . 8.560 4.440 4.345 4.617 . 0 0 "[ . 1 . 2]" 1
408 1 23 VAL QG 1 26 GLU H . . 8.560 4.448 4.096 4.794 . 0 0 "[ . 1 . 2]" 1
409 1 23 VAL QG 1 27 ASP H . . 8.460 3.467 3.145 3.794 . 0 0 "[ . 1 . 2]" 1
410 1 23 VAL QG 1 27 ASP QB . . 9.560 2.376 2.179 2.614 . 0 0 "[ . 1 . 2]" 1
411 1 23 VAL QG 1 30 ALA H . . 8.560 5.208 4.894 5.517 . 0 0 "[ . 1 . 2]" 1
412 1 23 VAL QG 1 31 THR H . . 8.560 6.064 5.256 6.377 . 0 0 "[ . 1 . 2]" 1
413 1 23 VAL QG 1 32 VAL QG . . 9.030 3.509 2.950 3.823 . 0 0 "[ . 1 . 2]" 1
414 1 23 VAL QG 1 43 ILE QG . . 9.560 3.510 2.268 4.151 . 0 0 "[ . 1 . 2]" 1
415 1 23 VAL QG 1 49 GLU HA . . 8.560 5.950 5.656 6.351 . 0 0 "[ . 1 . 2]" 1
416 1 23 VAL QG 1 52 LEU HA . . 8.560 2.637 2.421 3.071 . 0 0 "[ . 1 . 2]" 1
417 1 23 VAL QG 1 52 LEU QB . . 9.440 3.786 3.600 4.062 . 0 0 "[ . 1 . 2]" 1
418 1 23 VAL QG 1 56 ILE H . . 6.280 3.898 3.784 4.103 . 0 0 "[ . 1 . 2]" 1
419 1 23 VAL MG1 1 24 GLN H . . 4.800 3.491 3.353 3.797 . 0 0 "[ . 1 . 2]" 1
420 1 23 VAL MG1 1 32 VAL MG1 . . 10.620 3.726 3.081 4.103 . 0 0 "[ . 1 . 2]" 1
421 1 23 VAL MG1 1 32 VAL MG2 . . 10.620 5.724 5.279 6.147 . 0 0 "[ . 1 . 2]" 1
422 1 23 VAL MG1 1 56 ILE H . . 7.000 5.903 5.872 5.953 . 0 0 "[ . 1 . 2]" 1
423 1 23 VAL MG2 1 24 GLN H . . 4.800 3.931 3.782 4.006 . 0 0 "[ . 1 . 2]" 1
424 1 23 VAL MG2 1 32 VAL MG1 . . 10.620 4.557 3.859 5.045 . 0 0 "[ . 1 . 2]" 1
425 1 23 VAL MG2 1 32 VAL MG2 . . 10.620 6.349 5.593 6.877 . 0 0 "[ . 1 . 2]" 1
426 1 23 VAL MG2 1 56 ILE H . . 7.000 3.955 3.829 4.185 . 0 0 "[ . 1 . 2]" 1
427 1 24 GLN H 1 24 GLN HB2 . . 3.800 2.397 2.299 2.547 . 0 0 "[ . 1 . 2]" 1
428 1 24 GLN H 1 24 GLN QB . . 3.310 2.363 2.271 2.501 . 0 0 "[ . 1 . 2]" 1
429 1 24 GLN H 1 24 GLN HB3 . . 3.800 3.578 3.533 3.655 . 0 0 "[ . 1 . 2]" 1
430 1 24 GLN H 1 24 GLN HG2 . . 3.200 2.482 2.300 3.266 0.066 17 0 "[ . 1 . 2]" 1
431 1 24 GLN H 1 24 GLN QG . . 2.830 2.332 2.254 2.520 . 0 0 "[ . 1 . 2]" 1
432 1 24 GLN H 1 24 GLN HG3 . . 3.200 3.146 2.387 3.288 0.088 6 0 "[ . 1 . 2]" 1
433 1 24 GLN H 1 25 ASN H . . 3.300 2.913 2.658 3.045 . 0 0 "[ . 1 . 2]" 1
434 1 24 GLN H 1 25 ASN QB . . 6.180 5.088 4.821 5.227 . 0 0 "[ . 1 . 2]" 1
435 1 24 GLN H 1 26 GLU H . . 5.200 4.770 4.541 4.937 . 0 0 "[ . 1 . 2]" 1
436 1 24 GLN H 1 30 ALA MB . . 7.000 5.237 4.759 5.694 . 0 0 "[ . 1 . 2]" 1
437 1 24 GLN H 1 32 VAL QG . . 7.760 4.397 4.050 4.658 . 0 0 "[ . 1 . 2]" 1
438 1 24 GLN HA 1 27 ASP H . . 4.900 3.517 3.292 3.849 . 0 0 "[ . 1 . 2]" 1
439 1 24 GLN HA 1 27 ASP QB . . 7.000 3.528 3.045 4.051 . 0 0 "[ . 1 . 2]" 1
440 1 24 GLN HA 1 30 ALA MB . . 7.000 3.790 3.325 4.179 . 0 0 "[ . 1 . 2]" 1
441 1 24 GLN QB 1 25 ASN H . . 4.370 3.197 2.839 3.418 . 0 0 "[ . 1 . 2]" 1
442 1 24 GLN QB 1 27 ASP H . . 6.580 5.240 5.062 5.425 . 0 0 "[ . 1 . 2]" 1
443 1 24 GLN QB 1 28 ALA HA . . 6.480 3.297 2.977 3.709 . 0 0 "[ . 1 . 2]" 1
444 1 24 GLN QB 1 30 ALA H . . 6.880 5.460 5.064 5.695 . 0 0 "[ . 1 . 2]" 1
445 1 24 GLN HB2 1 25 ASN H . . 4.700 3.338 2.933 3.598 . 0 0 "[ . 1 . 2]" 1
446 1 24 GLN HB3 1 25 ASN H . . 4.700 4.096 3.789 4.268 . 0 0 "[ . 1 . 2]" 1
447 1 24 GLN QE 1 32 VAL HA . . 5.640 5.016 4.881 5.084 . 0 0 "[ . 1 . 2]" 1
448 1 24 GLN QE 1 32 VAL QG . . 9.430 2.209 1.783 2.463 . 0 0 "[ . 1 . 2]" 1
449 1 24 GLN HE21 1 30 ALA MB . . 7.000 2.691 1.978 3.574 . 0 0 "[ . 1 . 2]" 1
450 1 24 GLN HE21 1 32 VAL HA . . 6.000 5.390 5.155 5.514 . 0 0 "[ . 1 . 2]" 1
451 1 24 GLN HE22 1 24 GLN HG2 . . 3.900 3.526 3.491 3.571 . 0 0 "[ . 1 . 2]" 1
452 1 24 GLN HE22 1 24 GLN HG3 . . 3.900 3.925 3.809 3.968 0.068 20 0 "[ . 1 . 2]" 1
453 1 24 GLN HE22 1 30 ALA MB . . 7.000 3.280 2.613 5.019 . 0 0 "[ . 1 . 2]" 1
454 1 24 GLN HE22 1 32 VAL HA . . 6.000 5.982 5.861 6.053 0.053 8 0 "[ . 1 . 2]" 1
455 1 24 GLN QG 1 25 ASN H . . 5.840 4.487 4.311 4.556 . 0 0 "[ . 1 . 2]" 1
456 1 24 GLN HG2 1 25 ASN H . . 6.000 4.862 4.627 5.174 . 0 0 "[ . 1 . 2]" 1
457 1 24 GLN HG2 1 30 ALA MB . . 7.000 3.871 3.022 4.431 . 0 0 "[ . 1 . 2]" 1
458 1 24 GLN HG3 1 25 ASN H . . 6.000 5.294 4.837 5.480 . 0 0 "[ . 1 . 2]" 1
459 1 24 GLN HG3 1 30 ALA MB . . 7.000 5.126 4.292 5.670 . 0 0 "[ . 1 . 2]" 1
460 1 25 ASN H 1 25 ASN HB2 . . 3.700 2.533 2.410 2.602 . 0 0 "[ . 1 . 2]" 1
461 1 25 ASN H 1 25 ASN QB . . 3.300 2.489 2.377 2.550 . 0 0 "[ . 1 . 2]" 1
462 1 25 ASN H 1 25 ASN HB3 . . 3.700 3.661 3.626 3.676 . 0 0 "[ . 1 . 2]" 1
463 1 25 ASN H 1 26 GLU H . . 3.300 2.690 2.555 2.930 . 0 0 "[ . 1 . 2]" 1
464 1 25 ASN H 1 26 GLU QG . . 6.180 4.471 4.204 4.689 . 0 0 "[ . 1 . 2]" 1
465 1 25 ASN H 1 27 ASP H . . 4.200 4.153 4.003 4.241 0.041 12 0 "[ . 1 . 2]" 1
466 1 25 ASN QB 1 26 GLU H . . 3.620 2.388 2.226 2.527 . 0 0 "[ . 1 . 2]" 1
467 1 25 ASN QB 1 27 ASP H . . 5.590 4.697 4.513 4.845 . 0 0 "[ . 1 . 2]" 1
468 1 25 ASN HB2 1 26 GLU H . . 4.100 2.440 2.262 2.593 . 0 0 "[ . 1 . 2]" 1
469 1 25 ASN HB2 1 27 ASP H . . 6.000 4.963 4.742 5.175 . 0 0 "[ . 1 . 2]" 1
470 1 25 ASN HB3 1 26 GLU H . . 4.100 3.410 3.217 3.537 . 0 0 "[ . 1 . 2]" 1
471 1 25 ASN HB3 1 27 ASP H . . 6.000 5.810 5.661 5.973 . 0 0 "[ . 1 . 2]" 1
472 1 25 ASN QD 1 26 GLU QG . . 7.740 4.638 4.099 5.721 . 0 0 "[ . 1 . 2]" 1
473 1 26 GLU H 1 26 GLU QB . . 3.630 2.385 2.248 2.592 . 0 0 "[ . 1 . 2]" 1
474 1 26 GLU H 1 26 GLU HG2 . . 3.700 2.757 2.243 3.586 . 0 0 "[ . 1 . 2]" 1
475 1 26 GLU H 1 26 GLU QG . . 3.210 2.373 2.194 2.495 . 0 0 "[ . 1 . 2]" 1
476 1 26 GLU H 1 26 GLU HG3 . . 3.700 3.026 2.229 3.705 0.005 9 0 "[ . 1 . 2]" 1
477 1 26 GLU H 1 27 ASP H . . 2.900 2.583 2.447 2.710 . 0 0 "[ . 1 . 2]" 1
478 1 26 GLU H 1 27 ASP HA . . 6.000 5.208 5.095 5.335 . 0 0 "[ . 1 . 2]" 1
479 1 26 GLU H 1 27 ASP QB . . 6.300 4.489 4.183 4.714 . 0 0 "[ . 1 . 2]" 1
480 1 26 GLU H 1 47 LEU QD . . 7.770 5.623 5.154 5.841 . 0 0 "[ . 1 . 2]" 1
481 1 26 GLU H 1 55 ALA MB . . 6.900 5.639 5.308 5.790 . 0 0 "[ . 1 . 2]" 1
482 1 26 GLU QB 1 27 ASP H . . 4.230 2.236 2.133 2.368 . 0 0 "[ . 1 . 2]" 1
483 1 26 GLU QB 1 47 LEU QD . . 9.450 3.400 2.831 3.745 . 0 0 "[ . 1 . 2]" 1
484 1 26 GLU HB2 1 27 ASP H . . 4.700 2.271 2.162 2.410 . 0 0 "[ . 1 . 2]" 1
485 1 26 GLU HB3 1 27 ASP H . . 4.700 3.356 3.259 3.523 . 0 0 "[ . 1 . 2]" 1
486 1 26 GLU QG 1 27 ASP H . . 4.780 3.909 3.754 4.015 . 0 0 "[ . 1 . 2]" 1
487 1 26 GLU QG 1 47 LEU QD . . 9.450 4.837 4.248 5.366 . 0 0 "[ . 1 . 2]" 1
488 1 26 GLU HG2 1 27 ASP H . . 5.200 4.475 3.983 4.882 . 0 0 "[ . 1 . 2]" 1
489 1 26 GLU HG3 1 27 ASP H . . 5.200 4.373 4.040 4.639 . 0 0 "[ . 1 . 2]" 1
490 1 27 ASP H 1 28 ALA H . . 4.600 3.601 3.484 3.744 . 0 0 "[ . 1 . 2]" 1
491 1 27 ASP H 1 28 ALA MB . . 5.700 4.708 4.607 4.783 . 0 0 "[ . 1 . 2]" 1
492 1 27 ASP H 1 30 ALA MB . . 5.800 4.699 4.356 4.874 . 0 0 "[ . 1 . 2]" 1
493 1 27 ASP H 1 47 LEU QD . . 6.670 4.080 3.608 4.480 . 0 0 "[ . 1 . 2]" 1
494 1 27 ASP HA 1 28 ALA H . . 2.800 2.455 2.291 2.561 . 0 0 "[ . 1 . 2]" 1
495 1 27 ASP HA 1 29 GLN H . . 4.500 3.283 3.061 3.503 . 0 0 "[ . 1 . 2]" 1
496 1 27 ASP QB 1 30 ALA MB . . 7.900 2.567 2.198 2.807 . 0 0 "[ . 1 . 2]" 1
497 1 27 ASP QB 1 45 SER HG . . 7.000 4.896 3.499 5.965 . 0 0 "[ . 1 . 2]" 1
498 1 27 ASP QB 1 46 ALA H . . 6.800 5.884 5.171 6.082 . 0 0 "[ . 1 . 2]" 1
499 1 27 ASP QB 1 47 LEU H . . 6.600 5.163 4.551 5.676 . 0 0 "[ . 1 . 2]" 1
500 1 27 ASP QB 1 47 LEU MD1 . . 8.000 2.542 2.096 3.637 . 0 0 "[ . 1 . 2]" 1
501 1 27 ASP QB 1 47 LEU QD . . 7.640 2.396 2.086 3.083 . 0 0 "[ . 1 . 2]" 1
502 1 27 ASP QB 1 47 LEU MD2 . . 8.000 3.466 2.735 4.526 . 0 0 "[ . 1 . 2]" 1
503 1 27 ASP QB 1 47 LEU HG . . 7.000 3.704 3.009 5.134 . 0 0 "[ . 1 . 2]" 1
504 1 28 ALA H 1 28 ALA MB . . 3.400 2.227 2.183 2.254 . 0 0 "[ . 1 . 2]" 1
505 1 28 ALA H 1 29 GLN H . . 3.400 2.604 2.557 2.680 . 0 0 "[ . 1 . 2]" 1
506 1 28 ALA H 1 29 GLN HB2 . . 6.000 6.088 6.064 6.112 0.112 16 0 "[ . 1 . 2]" 1
507 1 28 ALA H 1 29 GLN HB3 . . 6.000 5.002 4.834 5.215 . 0 0 "[ . 1 . 2]" 1
508 1 28 ALA H 1 29 GLN QG . . 6.680 3.630 3.496 3.847 . 0 0 "[ . 1 . 2]" 1
509 1 28 ALA H 1 30 ALA H . . 5.100 4.234 4.109 4.481 . 0 0 "[ . 1 . 2]" 1
510 1 28 ALA H 1 30 ALA MB . . 7.000 4.981 4.825 5.109 . 0 0 "[ . 1 . 2]" 1
511 1 28 ALA MB 1 29 GLN H . . 3.800 2.997 2.797 3.207 . 0 0 "[ . 1 . 2]" 1
512 1 28 ALA MB 1 30 ALA H . . 5.600 4.451 4.278 4.585 . 0 0 "[ . 1 . 2]" 1
513 1 29 GLN H 1 29 GLN HB2 . . 4.200 3.596 3.521 3.711 . 0 0 "[ . 1 . 2]" 1
514 1 29 GLN H 1 29 GLN QB . . 3.630 2.758 2.627 2.935 . 0 0 "[ . 1 . 2]" 1
515 1 29 GLN H 1 29 GLN HB3 . . 4.200 2.866 2.704 3.111 . 0 0 "[ . 1 . 2]" 1
516 1 29 GLN H 1 29 GLN HG2 . . 3.100 2.099 1.963 2.687 . 0 0 "[ . 1 . 2]" 1
517 1 29 GLN H 1 29 GLN QG . . 2.870 1.988 1.874 2.186 . 0 0 "[ . 1 . 2]" 1
518 1 29 GLN H 1 29 GLN HG3 . . 3.100 2.668 1.996 3.046 . 0 0 "[ . 1 . 2]" 1
519 1 29 GLN H 1 30 ALA H . . 3.000 2.556 2.354 2.782 . 0 0 "[ . 1 . 2]" 1
520 1 29 GLN H 1 30 ALA MB . . 5.100 4.067 3.899 4.260 . 0 0 "[ . 1 . 2]" 1
521 1 29 GLN HA 1 30 ALA H . . 3.600 3.349 3.166 3.486 . 0 0 "[ . 1 . 2]" 1
522 1 29 GLN HB2 1 30 ALA H . . 4.700 4.400 4.263 4.552 . 0 0 "[ . 1 . 2]" 1
523 1 29 GLN HB3 1 30 ALA H . . 4.700 4.585 4.426 4.670 . 0 0 "[ . 1 . 2]" 1
524 1 29 GLN QG 1 30 ALA H . . 4.780 3.228 2.941 3.436 . 0 0 "[ . 1 . 2]" 1
525 1 29 GLN HG2 1 30 ALA H . . 5.100 4.051 3.455 4.862 . 0 0 "[ . 1 . 2]" 1
526 1 29 GLN HG3 1 30 ALA H . . 5.100 3.413 3.068 3.764 . 0 0 "[ . 1 . 2]" 1
527 1 30 ALA H 1 30 ALA MB . . 3.400 2.232 2.205 2.294 . 0 0 "[ . 1 . 2]" 1
528 1 30 ALA H 1 31 THR H . . 5.100 4.614 4.560 4.665 . 0 0 "[ . 1 . 2]" 1
529 1 30 ALA H 1 32 VAL QG . . 8.560 5.135 4.662 5.671 . 0 0 "[ . 1 . 2]" 1
530 1 30 ALA HA 1 31 THR H . . 3.000 2.324 2.216 2.484 . 0 0 "[ . 1 . 2]" 1
531 1 30 ALA HA 1 45 SER QB . . 6.880 3.131 2.344 3.758 . 0 0 "[ . 1 . 2]" 1
532 1 30 ALA MB 1 31 THR H . . 3.600 2.452 2.123 2.789 . 0 0 "[ . 1 . 2]" 1
533 1 30 ALA MB 1 44 THR H . . 7.000 4.086 3.818 4.521 . 0 0 "[ . 1 . 2]" 1
534 1 30 ALA MB 1 45 SER HA . . 7.000 3.499 2.937 4.215 . 0 0 "[ . 1 . 2]" 1
535 1 30 ALA MB 1 45 SER HB2 . . 7.000 2.934 2.519 3.459 . 0 0 "[ . 1 . 2]" 1
536 1 30 ALA MB 1 45 SER HB3 . . 7.000 2.116 1.935 2.367 . 0 0 "[ . 1 . 2]" 1
537 1 30 ALA MB 1 45 SER HG . . 7.000 3.806 2.976 4.565 . 0 0 "[ . 1 . 2]" 1
538 1 30 ALA MB 1 47 LEU MD1 . . 8.000 4.724 3.749 5.556 . 0 0 "[ . 1 . 2]" 1
539 1 30 ALA MB 1 47 LEU MD2 . . 8.000 4.935 3.943 5.593 . 0 0 "[ . 1 . 2]" 1
540 1 30 ALA MB 1 47 LEU HG . . 7.000 4.885 4.215 5.562 . 0 0 "[ . 1 . 2]" 1
541 1 31 THR H 1 32 VAL H . . 5.000 4.440 4.361 4.516 . 0 0 "[ . 1 . 2]" 1
542 1 31 THR H 1 43 ILE HA . . 5.600 5.165 4.724 5.421 . 0 0 "[ . 1 . 2]" 1
543 1 31 THR H 1 43 ILE MD . . 7.000 5.695 5.247 6.428 . 0 0 "[ . 1 . 2]" 1
544 1 31 THR H 1 43 ILE MG . . 5.800 4.119 3.453 4.711 . 0 0 "[ . 1 . 2]" 1
545 1 31 THR H 1 44 THR H . . 3.700 3.503 3.225 3.711 0.011 20 0 "[ . 1 . 2]" 1
546 1 31 THR H 1 44 THR HB . . 3.900 3.333 2.922 3.671 . 0 0 "[ . 1 . 2]" 1
547 1 31 THR H 1 44 THR MG . . 7.000 3.828 3.336 4.259 . 0 0 "[ . 1 . 2]" 1
548 1 31 THR H 1 45 SER HA . . 4.200 3.964 3.712 4.232 0.032 17 0 "[ . 1 . 2]" 1
549 1 31 THR H 1 45 SER QB . . 6.880 3.611 3.156 4.002 . 0 0 "[ . 1 . 2]" 1
550 1 31 THR HA 1 32 VAL H . . 3.000 2.249 2.193 2.359 . 0 0 "[ . 1 . 2]" 1
551 1 31 THR HB 1 32 VAL H . . 4.100 4.079 3.899 4.130 0.030 5 0 "[ . 1 . 2]" 1
552 1 31 THR HB 1 44 THR H . . 3.800 3.821 3.729 3.897 0.097 19 0 "[ . 1 . 2]" 1
553 1 31 THR MG 1 32 VAL H . . 6.100 2.451 2.170 2.617 . 0 0 "[ . 1 . 2]" 1
554 1 31 THR MG 1 44 THR H . . 7.000 4.054 3.777 4.381 . 0 0 "[ . 1 . 2]" 1
555 1 32 VAL H 1 32 VAL QG . . 4.100 2.060 1.937 2.213 . 0 0 "[ . 1 . 2]" 1
556 1 32 VAL H 1 33 GLN H . . 4.700 4.446 4.305 4.574 . 0 0 "[ . 1 . 2]" 1
557 1 32 VAL HA 1 33 GLN H . . 3.000 2.283 2.167 2.395 . 0 0 "[ . 1 . 2]" 1
558 1 32 VAL HA 1 43 ILE HA . . 4.400 2.505 2.352 2.710 . 0 0 "[ . 1 . 2]" 1
559 1 32 VAL HA 1 43 ILE MD . . 7.000 2.624 2.228 3.363 . 0 0 "[ . 1 . 2]" 1
560 1 32 VAL HA 1 44 THR H . . 3.400 3.155 2.950 3.271 . 0 0 "[ . 1 . 2]" 1
561 1 32 VAL HB 1 33 GLN H . . 4.700 3.109 2.713 3.384 . 0 0 "[ . 1 . 2]" 1
562 1 32 VAL HB 1 43 ILE MD . . 7.000 2.869 2.462 3.477 . 0 0 "[ . 1 . 2]" 1
563 1 32 VAL HB 1 43 ILE MG . . 7.000 4.799 4.333 5.283 . 0 0 "[ . 1 . 2]" 1
564 1 32 VAL QG 1 33 GLN H . . 6.050 3.528 3.288 3.637 . 0 0 "[ . 1 . 2]" 1
565 1 32 VAL QG 1 34 VAL QG . . 10.620 3.582 2.878 4.131 . 0 0 "[ . 1 . 2]" 1
566 1 32 VAL QG 1 43 ILE MG . . 9.560 2.777 2.277 3.239 . 0 0 "[ . 1 . 2]" 1
567 1 32 VAL MG1 1 33 GLN H . . 7.000 3.973 3.817 4.088 . 0 0 "[ . 1 . 2]" 1
568 1 32 VAL MG1 1 43 ILE HA . . 7.000 3.353 3.043 3.722 . 0 0 "[ . 1 . 2]" 1
569 1 32 VAL MG1 1 43 ILE QG . . 8.000 3.639 2.006 4.069 . 0 0 "[ . 1 . 2]" 1
570 1 32 VAL MG2 1 33 GLN H . . 7.000 3.967 3.531 4.203 . 0 0 "[ . 1 . 2]" 1
571 1 32 VAL MG2 1 43 ILE HA . . 7.000 5.231 5.058 5.384 . 0 0 "[ . 1 . 2]" 1
572 1 32 VAL MG2 1 43 ILE QG . . 8.000 5.646 4.313 5.974 . 0 0 "[ . 1 . 2]" 1
573 1 33 GLN H 1 33 GLN HB2 . . 3.800 2.708 2.543 3.009 . 0 0 "[ . 1 . 2]" 1
574 1 33 GLN H 1 33 GLN QB . . 3.550 2.638 2.495 2.783 . 0 0 "[ . 1 . 2]" 1
575 1 33 GLN H 1 33 GLN HB3 . . 3.800 3.695 3.195 3.836 0.036 14 0 "[ . 1 . 2]" 1
576 1 33 GLN H 1 33 GLN QG . . 5.100 3.553 3.133 4.307 . 0 0 "[ . 1 . 2]" 1
577 1 33 GLN H 1 34 VAL H . . 5.400 3.757 3.200 4.122 . 0 0 "[ . 1 . 2]" 1
578 1 33 GLN H 1 34 VAL HA . . 6.000 4.453 4.174 4.626 . 0 0 "[ . 1 . 2]" 1
579 1 33 GLN H 1 41 VAL QG . . 8.560 3.727 3.405 4.120 . 0 0 "[ . 1 . 2]" 1
580 1 33 GLN H 1 42 THR H . . 3.200 3.249 3.162 3.306 0.106 12 0 "[ . 1 . 2]" 1
581 1 33 GLN H 1 42 THR HB . . 4.800 3.537 3.302 3.947 . 0 0 "[ . 1 . 2]" 1
582 1 33 GLN H 1 42 THR MG . . 6.600 4.191 3.913 4.413 . 0 0 "[ . 1 . 2]" 1
583 1 33 GLN H 1 43 ILE HA . . 3.700 3.374 3.133 3.613 . 0 0 "[ . 1 . 2]" 1
584 1 33 GLN H 1 43 ILE QG . . 7.000 4.506 3.974 4.772 . 0 0 "[ . 1 . 2]" 1
585 1 33 GLN H 1 43 ILE MG . . 7.000 5.043 4.548 5.483 . 0 0 "[ . 1 . 2]" 1
586 1 33 GLN HA 1 34 VAL H . . 3.000 2.239 2.168 2.418 . 0 0 "[ . 1 . 2]" 1
587 1 33 GLN QB 1 42 THR H . . 4.930 3.694 3.457 4.009 . 0 0 "[ . 1 . 2]" 1
588 1 33 GLN QB 1 42 THR MG . . 7.880 3.044 2.770 3.406 . 0 0 "[ . 1 . 2]" 1
589 1 33 GLN HB2 1 34 VAL H . . 4.900 4.603 4.456 4.744 . 0 0 "[ . 1 . 2]" 1
590 1 33 GLN HB2 1 42 THR H . . 5.300 4.030 3.734 5.200 . 0 0 "[ . 1 . 2]" 1
591 1 33 GLN HB2 1 42 THR HB . . 6.000 2.454 2.158 3.472 . 0 0 "[ . 1 . 2]" 1
592 1 33 GLN HB3 1 34 VAL H . . 4.900 3.988 3.600 4.500 . 0 0 "[ . 1 . 2]" 1
593 1 33 GLN HB3 1 42 THR H . . 5.300 4.395 3.914 5.121 . 0 0 "[ . 1 . 2]" 1
594 1 33 GLN HB3 1 42 THR HB . . 6.000 3.066 2.115 3.747 . 0 0 "[ . 1 . 2]" 1
595 1 33 GLN QG 1 34 VAL H . . 6.600 4.503 4.176 4.801 . 0 0 "[ . 1 . 2]" 1
596 1 33 GLN QG 1 42 THR H . . 7.000 5.539 5.364 5.870 . 0 0 "[ . 1 . 2]" 1
597 1 33 GLN QG 1 44 THR H . . 7.000 5.401 4.623 6.116 . 0 0 "[ . 1 . 2]" 1
598 1 34 VAL H 1 34 VAL HB . . 4.100 3.080 2.827 3.218 . 0 0 "[ . 1 . 2]" 1
599 1 34 VAL H 1 34 VAL MG1 . . 4.800 2.139 2.037 2.287 . 0 0 "[ . 1 . 2]" 1
600 1 34 VAL H 1 34 VAL MG2 . . 4.800 3.869 3.802 3.920 . 0 0 "[ . 1 . 2]" 1
601 1 34 VAL H 1 35 ASP H . . 5.300 4.410 4.250 4.568 . 0 0 "[ . 1 . 2]" 1
602 1 34 VAL HA 1 35 ASP H . . 2.900 2.165 2.124 2.217 . 0 0 "[ . 1 . 2]" 1
603 1 34 VAL HA 1 41 VAL HA . . 5.000 2.178 2.081 2.272 . 0 0 "[ . 1 . 2]" 1
604 1 34 VAL HA 1 41 VAL MG1 . . 7.000 4.779 4.627 5.003 . 0 0 "[ . 1 . 2]" 1
605 1 34 VAL HA 1 41 VAL MG2 . . 7.000 2.852 2.421 3.373 . 0 0 "[ . 1 . 2]" 1
606 1 34 VAL HA 1 42 THR H . . 3.700 2.929 2.632 3.151 . 0 0 "[ . 1 . 2]" 1
607 1 34 VAL HB 1 35 ASP H . . 4.600 4.235 4.119 4.395 . 0 0 "[ . 1 . 2]" 1
608 1 34 VAL HB 1 41 VAL MG1 . . 7.000 4.683 4.404 4.947 . 0 0 "[ . 1 . 2]" 1
609 1 34 VAL HB 1 41 VAL MG2 . . 7.000 2.171 2.041 2.246 . 0 0 "[ . 1 . 2]" 1
610 1 34 VAL QG 1 35 ASP H . . 5.670 2.652 2.433 2.918 . 0 0 "[ . 1 . 2]" 1
611 1 34 VAL QG 1 36 LEU H . . 7.960 3.029 2.701 3.317 . 0 0 "[ . 1 . 2]" 1
612 1 34 VAL QG 1 39 LYS H . . 8.560 5.966 5.649 6.270 . 0 0 "[ . 1 . 2]" 1
613 1 34 VAL QG 1 40 LYS H . . 8.560 4.202 3.783 4.582 . 0 0 "[ . 1 . 2]" 1
614 1 34 VAL QG 1 41 VAL HB . . 8.560 2.297 2.127 2.605 . 0 0 "[ . 1 . 2]" 1
615 1 34 VAL MG1 1 35 ASP H . . 7.000 4.173 3.995 4.308 . 0 0 "[ . 1 . 2]" 1
616 1 34 VAL MG2 1 35 ASP H . . 7.000 2.683 2.454 2.969 . 0 0 "[ . 1 . 2]" 1
617 1 35 ASP H 1 35 ASP HB2 . . 3.600 2.390 2.091 2.608 . 0 0 "[ . 1 . 2]" 1
618 1 35 ASP H 1 35 ASP HB3 . . 3.600 3.343 2.475 3.641 0.041 15 0 "[ . 1 . 2]" 1
619 1 35 ASP H 1 36 LEU H . . 4.900 3.868 3.706 4.146 . 0 0 "[ . 1 . 2]" 1
620 1 35 ASP H 1 40 LYS H . . 4.000 3.884 3.597 4.024 0.024 8 0 "[ . 1 . 2]" 1
621 1 35 ASP H 1 40 LYS QB . . 6.900 4.820 4.619 5.117 . 0 0 "[ . 1 . 2]" 1
622 1 35 ASP H 1 40 LYS QD . . 7.000 4.038 2.273 5.206 . 0 0 "[ . 1 . 2]" 1
623 1 35 ASP H 1 41 VAL HA . . 3.100 3.058 2.830 3.143 0.043 15 0 "[ . 1 . 2]" 1
624 1 35 ASP HA 1 36 LEU H . . 2.900 2.338 2.230 2.419 . 0 0 "[ . 1 . 2]" 1
625 1 35 ASP HA 1 37 THR H . . 4.700 3.428 2.791 4.257 . 0 0 "[ . 1 . 2]" 1
626 1 35 ASP QB 1 37 THR H . . 6.880 3.587 3.107 4.384 . 0 0 "[ . 1 . 2]" 1
627 1 35 ASP QB 1 38 SER H . . 5.360 3.129 2.572 3.807 . 0 0 "[ . 1 . 2]" 1
628 1 35 ASP QB 1 39 LYS H . . 5.280 4.213 3.845 4.731 . 0 0 "[ . 1 . 2]" 1
629 1 35 ASP QB 1 40 LYS H . . 4.680 3.300 3.016 3.546 . 0 0 "[ . 1 . 2]" 1
630 1 35 ASP HB2 1 36 LEU H . . 5.300 4.579 4.485 4.684 . 0 0 "[ . 1 . 2]" 1
631 1 35 ASP HB2 1 38 SER H . . 6.000 4.201 3.503 5.346 . 0 0 "[ . 1 . 2]" 1
632 1 35 ASP HB2 1 40 LYS H . . 5.100 3.753 3.074 5.138 0.038 20 0 "[ . 1 . 2]" 1
633 1 35 ASP HB3 1 36 LEU H . . 5.300 4.229 3.943 4.449 . 0 0 "[ . 1 . 2]" 1
634 1 35 ASP HB3 1 38 SER H . . 6.000 3.256 2.615 3.896 . 0 0 "[ . 1 . 2]" 1
635 1 35 ASP HB3 1 40 LYS H . . 5.100 4.202 3.217 4.862 . 0 0 "[ . 1 . 2]" 1
636 1 36 LEU H 1 36 LEU HB2 . . 4.000 2.497 2.247 2.713 . 0 0 "[ . 1 . 2]" 1
637 1 36 LEU H 1 36 LEU QB . . 3.610 2.454 2.224 2.635 . 0 0 "[ . 1 . 2]" 1
638 1 36 LEU H 1 36 LEU HB3 . . 4.000 3.623 3.551 3.670 . 0 0 "[ . 1 . 2]" 1
639 1 36 LEU H 1 36 LEU MD1 . . 5.100 2.260 1.953 3.376 . 0 0 "[ . 1 . 2]" 1
640 1 36 LEU H 1 36 LEU QD . . 4.550 2.222 1.815 3.215 . 0 0 "[ . 1 . 2]" 1
641 1 36 LEU H 1 36 LEU MD2 . . 5.100 3.984 1.947 4.241 . 0 0 "[ . 1 . 2]" 1
642 1 36 LEU H 1 36 LEU HG . . 3.600 3.060 2.463 3.714 0.114 18 0 "[ . 1 . 2]" 1
643 1 36 LEU H 1 37 THR H . . 3.600 2.991 2.605 3.668 0.068 19 0 "[ . 1 . 2]" 1
644 1 36 LEU QB 1 37 THR H . . 4.370 3.192 2.869 3.877 . 0 0 "[ . 1 . 2]" 1
645 1 36 LEU HB2 1 37 THR H . . 4.600 3.426 2.960 4.451 . 0 0 "[ . 1 . 2]" 1
646 1 36 LEU HB3 1 37 THR H . . 4.600 3.966 3.740 4.314 . 0 0 "[ . 1 . 2]" 1
647 1 36 LEU QD 1 41 VAL HB . . 8.570 5.826 4.803 6.204 . 0 0 "[ . 1 . 2]" 1
648 1 36 LEU QD 1 41 VAL QG . . 11.130 5.022 4.310 5.416 . 0 0 "[ . 1 . 2]" 1
649 1 36 LEU MD1 1 37 THR H . . 7.000 4.488 4.098 5.454 . 0 0 "[ . 1 . 2]" 1
650 1 36 LEU MD2 1 37 THR H . . 7.000 5.049 3.708 5.360 . 0 0 "[ . 1 . 2]" 1
651 1 36 LEU HG 1 37 THR H . . 6.000 4.888 4.456 5.318 . 0 0 "[ . 1 . 2]" 1
652 1 37 THR H 1 37 THR HB . . 3.500 2.749 2.580 2.978 . 0 0 "[ . 1 . 2]" 1
653 1 37 THR H 1 37 THR MG . . 4.700 3.662 3.378 3.998 . 0 0 "[ . 1 . 2]" 1
654 1 37 THR H 1 38 SER H . . 3.500 2.719 1.932 3.118 . 0 0 "[ . 1 . 2]" 1
655 1 37 THR HB 1 38 SER H . . 3.500 2.761 2.344 3.109 . 0 0 "[ . 1 . 2]" 1
656 1 37 THR HB 1 39 LYS H . . 5.800 5.559 5.247 5.827 0.027 15 0 "[ . 1 . 2]" 1
657 1 37 THR MG 1 38 SER H . . 5.600 3.854 3.448 4.195 . 0 0 "[ . 1 . 2]" 1
658 1 38 SER H 1 38 SER QB . . 3.910 2.800 2.574 2.940 . 0 0 "[ . 1 . 2]" 1
659 1 38 SER H 1 39 LYS H . . 3.700 3.478 3.142 3.675 . 0 0 "[ . 1 . 2]" 1
660 1 38 SER H 1 39 LYS HA . . 5.100 4.507 4.311 4.689 . 0 0 "[ . 1 . 2]" 1
661 1 38 SER H 1 39 LYS QD . . 7.000 6.230 6.104 6.293 . 0 0 "[ . 1 . 2]" 1
662 1 38 SER H 1 40 LYS H . . 4.400 4.038 3.835 4.214 . 0 0 "[ . 1 . 2]" 1
663 1 38 SER H 1 40 LYS QD . . 7.000 4.623 3.233 5.915 . 0 0 "[ . 1 . 2]" 1
664 1 38 SER HB2 1 39 LYS H . . 5.000 2.100 2.025 2.188 . 0 0 "[ . 1 . 2]" 1
665 1 38 SER HB2 1 40 LYS H . . 6.000 3.822 3.356 4.650 . 0 0 "[ . 1 . 2]" 1
666 1 38 SER HB3 1 39 LYS H . . 5.000 2.419 2.201 2.842 . 0 0 "[ . 1 . 2]" 1
667 1 38 SER HB3 1 40 LYS H . . 6.000 4.787 4.326 5.669 . 0 0 "[ . 1 . 2]" 1
668 1 39 LYS H 1 39 LYS HG2 . . 3.800 2.609 2.381 3.903 0.103 9 0 "[ . 1 . 2]" 1
669 1 39 LYS H 1 39 LYS HG3 . . 3.800 3.446 2.337 3.758 . 0 0 "[ . 1 . 2]" 1
670 1 39 LYS H 1 40 LYS H . . 3.300 2.473 2.145 3.160 . 0 0 "[ . 1 . 2]" 1
671 1 39 LYS H 1 40 LYS QD . . 7.000 3.781 2.511 5.351 . 0 0 "[ . 1 . 2]" 1
672 1 39 LYS HA 1 40 LYS H . . 3.600 2.732 2.423 3.018 . 0 0 "[ . 1 . 2]" 1
673 1 39 LYS QB 1 40 LYS H . . 6.200 4.070 3.943 4.147 . 0 0 "[ . 1 . 2]" 1
674 1 39 LYS QD 1 40 LYS H . . 6.800 5.643 4.492 5.948 . 0 0 "[ . 1 . 2]" 1
675 1 39 LYS QG 1 40 LYS H . . 6.880 4.147 3.838 4.759 . 0 0 "[ . 1 . 2]" 1
676 1 40 LYS H 1 40 LYS QD . . 4.000 3.559 3.242 3.645 . 0 0 "[ . 1 . 2]" 1
677 1 40 LYS H 1 40 LYS HG2 . . 3.800 2.665 1.968 3.854 0.054 5 0 "[ . 1 . 2]" 1
678 1 40 LYS H 1 40 LYS QG . . 3.450 2.125 1.953 2.360 . 0 0 "[ . 1 . 2]" 1
679 1 40 LYS H 1 40 LYS HG3 . . 3.800 3.040 2.272 3.804 0.004 6 0 "[ . 1 . 2]" 1
680 1 40 LYS H 1 41 VAL H . . 5.600 4.384 4.192 4.516 . 0 0 "[ . 1 . 2]" 1
681 1 40 LYS H 1 41 VAL QG . . 8.560 4.824 4.398 5.206 . 0 0 "[ . 1 . 2]" 1
682 1 40 LYS HA 1 41 VAL H . . 2.900 2.267 2.186 2.309 . 0 0 "[ . 1 . 2]" 1
683 1 40 LYS QB 1 41 VAL H . . 6.600 2.983 2.560 3.380 . 0 0 "[ . 1 . 2]" 1
684 1 40 LYS QB 1 42 THR H . . 7.000 5.719 5.495 5.997 . 0 0 "[ . 1 . 2]" 1
685 1 40 LYS QD 1 41 VAL H . . 7.000 4.768 2.838 5.867 . 0 0 "[ . 1 . 2]" 1
686 1 40 LYS QG 1 41 VAL H . . 5.640 4.148 3.860 4.368 . 0 0 "[ . 1 . 2]" 1
687 1 40 LYS HG2 1 41 VAL H . . 6.000 4.873 4.666 5.121 . 0 0 "[ . 1 . 2]" 1
688 1 40 LYS HG3 1 41 VAL H . . 6.000 4.504 4.117 4.826 . 0 0 "[ . 1 . 2]" 1
689 1 41 VAL H 1 41 VAL HB . . 3.900 3.323 3.159 3.397 . 0 0 "[ . 1 . 2]" 1
690 1 41 VAL H 1 41 VAL QG . . 4.240 2.275 2.110 2.344 . 0 0 "[ . 1 . 2]" 1
691 1 41 VAL H 1 42 THR H . . 4.500 4.354 4.243 4.491 . 0 0 "[ . 1 . 2]" 1
692 1 41 VAL HA 1 42 THR H . . 2.900 2.235 2.162 2.328 . 0 0 "[ . 1 . 2]" 1
693 1 41 VAL HB 1 42 THR H . . 5.000 4.135 4.038 4.309 . 0 0 "[ . 1 . 2]" 1
694 1 41 VAL QG 1 42 THR H . . 4.440 2.428 2.215 2.631 . 0 0 "[ . 1 . 2]" 1
695 1 41 VAL QG 1 43 ILE QG . . 9.560 2.455 2.143 3.660 . 0 0 "[ . 1 . 2]" 1
696 1 41 VAL MG1 1 42 THR H . . 4.900 4.003 3.796 4.104 . 0 0 "[ . 1 . 2]" 1
697 1 41 VAL MG2 1 42 THR H . . 4.900 2.449 2.230 2.663 . 0 0 "[ . 1 . 2]" 1
698 1 42 THR H 1 42 THR HB . . 3.300 2.608 2.482 2.766 . 0 0 "[ . 1 . 2]" 1
699 1 42 THR H 1 42 THR MG . . 4.800 3.845 3.789 3.923 . 0 0 "[ . 1 . 2]" 1
700 1 42 THR H 1 43 ILE H . . 4.200 4.187 4.049 4.258 0.058 17 0 "[ . 1 . 2]" 1
701 1 42 THR H 1 43 ILE HA . . 6.000 4.751 4.631 4.855 . 0 0 "[ . 1 . 2]" 1
702 1 42 THR H 1 43 ILE QG . . 7.000 4.250 3.813 5.278 . 0 0 "[ . 1 . 2]" 1
703 1 42 THR HA 1 43 ILE H . . 3.100 2.193 2.113 2.246 . 0 0 "[ . 1 . 2]" 1
704 1 42 THR HB 1 43 ILE H . . 5.100 4.332 4.087 4.484 . 0 0 "[ . 1 . 2]" 1
705 1 42 THR MG 1 43 ILE H . . 4.400 3.030 2.704 3.296 . 0 0 "[ . 1 . 2]" 1
706 1 42 THR MG 1 44 THR H . . 5.600 4.283 3.887 4.766 . 0 0 "[ . 1 . 2]" 1
707 1 43 ILE H 1 43 ILE HB . . 3.500 2.544 2.396 2.700 . 0 0 "[ . 1 . 2]" 1
708 1 43 ILE H 1 43 ILE MD . . 4.800 3.654 2.876 4.015 . 0 0 "[ . 1 . 2]" 1
709 1 43 ILE H 1 43 ILE QG . . 4.800 2.947 2.571 3.989 . 0 0 "[ . 1 . 2]" 1
710 1 43 ILE H 1 44 THR H . . 4.900 4.345 4.165 4.475 . 0 0 "[ . 1 . 2]" 1
711 1 43 ILE HA 1 44 THR H . . 3.100 2.146 2.083 2.195 . 0 0 "[ . 1 . 2]" 1
712 1 43 ILE HB 1 44 THR H . . 5.900 4.307 4.084 4.467 . 0 0 "[ . 1 . 2]" 1
713 1 43 ILE HB 1 45 SER H . . 5.000 4.890 4.538 5.052 0.052 1 0 "[ . 1 . 2]" 1
714 1 43 ILE HB 1 52 LEU QB . . 6.880 5.262 4.963 5.693 . 0 0 "[ . 1 . 2]" 1
715 1 43 ILE MD 1 44 THR H . . 6.000 3.939 3.646 4.549 . 0 0 "[ . 1 . 2]" 1
716 1 43 ILE MD 1 45 SER H . . 6.800 6.155 5.654 6.433 . 0 0 "[ . 1 . 2]" 1
717 1 43 ILE MD 1 52 LEU QB . . 7.180 5.135 4.265 5.420 . 0 0 "[ . 1 . 2]" 1
718 1 43 ILE QG 1 52 LEU QB . . 7.880 4.309 4.134 4.697 . 0 0 "[ . 1 . 2]" 1
719 1 43 ILE MG 1 44 THR H . . 4.200 2.854 2.508 3.248 . 0 0 "[ . 1 . 2]" 1
720 1 43 ILE MG 1 44 THR HA . . 7.000 3.950 3.604 4.221 . 0 0 "[ . 1 . 2]" 1
721 1 43 ILE MG 1 45 SER H . . 5.300 3.262 2.351 3.735 . 0 0 "[ . 1 . 2]" 1
722 1 43 ILE MG 1 45 SER HB2 . . 7.000 3.978 3.478 4.470 . 0 0 "[ . 1 . 2]" 1
723 1 43 ILE MG 1 45 SER HB3 . . 7.000 2.888 2.316 3.307 . 0 0 "[ . 1 . 2]" 1
724 1 43 ILE MG 1 45 SER HG . . 7.000 2.815 1.961 3.467 . 0 0 "[ . 1 . 2]" 1
725 1 43 ILE MG 1 46 ALA H . . 7.000 5.501 4.934 5.725 . 0 0 "[ . 1 . 2]" 1
726 1 43 ILE MG 1 52 LEU QB . . 6.380 4.734 4.541 4.774 . 0 0 "[ . 1 . 2]" 1
727 1 44 THR H 1 44 THR MG . . 4.300 3.795 3.723 3.848 . 0 0 "[ . 1 . 2]" 1
728 1 44 THR H 1 45 SER H . . 4.200 3.956 3.598 4.137 . 0 0 "[ . 1 . 2]" 1
729 1 44 THR HA 1 45 SER H . . 2.800 2.215 2.151 2.339 . 0 0 "[ . 1 . 2]" 1
730 1 44 THR HB 1 45 SER H . . 5.000 4.525 4.453 4.571 . 0 0 "[ . 1 . 2]" 1
731 1 44 THR MG 1 45 SER H . . 5.000 3.589 3.399 3.856 . 0 0 "[ . 1 . 2]" 1
732 1 45 SER H 1 45 SER QB . . 3.910 3.186 3.046 3.304 . 0 0 "[ . 1 . 2]" 1
733 1 45 SER H 1 45 SER HG . . 4.000 3.285 2.441 4.053 0.053 17 0 "[ . 1 . 2]" 1
734 1 45 SER HA 1 46 ALA H . . 3.100 2.562 2.324 2.737 . 0 0 "[ . 1 . 2]" 1
735 1 45 SER QB 1 46 ALA H . . 3.770 2.256 2.086 2.859 . 0 0 "[ . 1 . 2]" 1
736 1 45 SER HB2 1 46 ALA H . . 4.200 2.279 2.099 2.924 . 0 0 "[ . 1 . 2]" 1
737 1 45 SER HB2 1 47 LEU H . . 4.200 2.663 2.489 3.204 . 0 0 "[ . 1 . 2]" 1
738 1 45 SER HB3 1 46 ALA H . . 4.200 3.682 3.541 4.040 . 0 0 "[ . 1 . 2]" 1
739 1 45 SER HB3 1 47 LEU H . . 4.200 4.231 3.890 4.300 0.100 12 0 "[ . 1 . 2]" 1
740 1 45 SER HG 1 46 ALA H . . 4.100 3.830 3.056 4.120 0.020 8 0 "[ . 1 . 2]" 1
741 1 45 SER HG 1 47 LEU H . . 3.800 3.370 2.349 3.851 0.051 2 0 "[ . 1 . 2]" 1
742 1 45 SER HG 1 47 LEU HG . . 6.000 4.393 3.021 5.816 . 0 0 "[ . 1 . 2]" 1
743 1 46 ALA H 1 46 ALA MB . . 3.400 2.313 2.220 2.583 . 0 0 "[ . 1 . 2]" 1
744 1 46 ALA H 1 47 LEU H . . 3.600 2.301 2.010 2.529 . 0 0 "[ . 1 . 2]" 1
745 1 46 ALA H 1 47 LEU QD . . 8.370 3.894 3.024 4.518 . 0 0 "[ . 1 . 2]" 1
746 1 46 ALA H 1 47 LEU HG . . 5.200 4.101 3.222 4.987 . 0 0 "[ . 1 . 2]" 1
747 1 46 ALA MB 1 47 LEU H . . 4.400 2.722 2.295 3.651 . 0 0 "[ . 1 . 2]" 1
748 1 47 LEU H 1 47 LEU HB2 . . 4.100 3.774 3.650 4.077 . 0 0 "[ . 1 . 2]" 1
749 1 47 LEU H 1 47 LEU QB . . 3.530 2.888 2.560 3.196 . 0 0 "[ . 1 . 2]" 1
750 1 47 LEU H 1 47 LEU HB3 . . 4.100 3.005 2.609 3.340 . 0 0 "[ . 1 . 2]" 1
751 1 47 LEU H 1 47 LEU MD1 . . 5.100 3.619 2.056 4.174 . 0 0 "[ . 1 . 2]" 1
752 1 47 LEU H 1 47 LEU QD . . 4.750 2.756 1.918 3.542 . 0 0 "[ . 1 . 2]" 1
753 1 47 LEU H 1 47 LEU MD2 . . 5.100 3.141 1.922 4.106 . 0 0 "[ . 1 . 2]" 1
754 1 47 LEU H 1 47 LEU HG . . 2.900 2.420 1.956 2.867 . 0 0 "[ . 1 . 2]" 1
755 1 47 LEU H 1 48 GLY H . . 4.700 2.742 1.939 4.218 . 0 0 "[ . 1 . 2]" 1
756 1 47 LEU H 1 49 GLU H . . 6.000 5.158 3.177 6.100 0.100 8 0 "[ . 1 . 2]" 1
757 1 47 LEU HA 1 48 GLY H . . 3.600 3.040 2.226 3.599 . 0 0 "[ . 1 . 2]" 1
758 1 47 LEU HA 1 49 GLU H . . 4.400 4.113 3.732 4.420 0.020 1 0 "[ . 1 . 2]" 1
759 1 47 LEU HA 1 50 GLU HB2 . . 5.600 4.058 3.451 4.573 . 0 0 "[ . 1 . 2]" 1
760 1 47 LEU HA 1 50 GLU QB . . 5.430 3.886 3.402 4.385 . 0 0 "[ . 1 . 2]" 1
761 1 47 LEU HA 1 50 GLU HB3 . . 5.600 5.152 4.106 5.694 0.094 1 0 "[ . 1 . 2]" 1
762 1 47 LEU HA 1 50 GLU QG . . 6.880 5.582 4.371 6.166 . 0 0 "[ . 1 . 2]" 1
763 1 47 LEU HA 1 51 GLN H . . 5.800 4.545 3.867 5.629 . 0 0 "[ . 1 . 2]" 1
764 1 47 LEU QB 1 48 GLY H . . 4.560 3.690 2.009 4.058 . 0 0 "[ . 1 . 2]" 1
765 1 47 LEU QB 1 51 GLN H . . 6.080 3.906 3.314 4.744 . 0 0 "[ . 1 . 2]" 1
766 1 47 LEU HB2 1 48 GLY H . . 5.200 4.088 2.022 4.542 . 0 0 "[ . 1 . 2]" 1
767 1 47 LEU HB3 1 48 GLY H . . 5.200 4.296 3.480 4.614 . 0 0 "[ . 1 . 2]" 1
768 1 47 LEU QD 1 49 GLU H . . 8.570 5.110 4.480 6.106 . 0 0 "[ . 1 . 2]" 1
769 1 47 LEU QD 1 50 GLU H . . 8.570 4.748 3.937 5.817 . 0 0 "[ . 1 . 2]" 1
770 1 47 LEU QD 1 51 GLN QB . . 7.720 2.117 1.987 2.305 . 0 0 "[ . 1 . 2]" 1
771 1 47 LEU QD 1 51 GLN QE . . 8.030 3.729 1.885 4.584 . 0 0 "[ . 1 . 2]" 1
772 1 47 LEU QD 1 51 GLN QG . . 9.570 2.532 1.957 3.308 . 0 0 "[ . 1 . 2]" 1
773 1 47 LEU QD 1 52 LEU HA . . 8.570 6.305 6.104 6.397 . 0 0 "[ . 1 . 2]" 1
774 1 47 LEU MD1 1 48 GLY H . . 7.000 3.667 2.592 4.956 . 0 0 "[ . 1 . 2]" 1
775 1 47 LEU MD1 1 51 GLN H . . 7.000 3.322 2.492 4.157 . 0 0 "[ . 1 . 2]" 1
776 1 47 LEU MD1 1 51 GLN HB2 . . 8.750 2.171 2.024 2.416 . 0 0 "[ . 1 . 2]" 1
777 1 47 LEU MD1 1 51 GLN HB3 . . 8.750 3.126 2.803 3.674 . 0 0 "[ . 1 . 2]" 1
778 1 47 LEU MD1 1 51 GLN HE21 . . 10.040 4.133 1.919 5.312 . 0 0 "[ . 1 . 2]" 1
779 1 47 LEU MD1 1 51 GLN HE22 . . 10.040 4.735 2.517 6.104 . 0 0 "[ . 1 . 2]" 1
780 1 47 LEU MD2 1 48 GLY H . . 7.000 4.577 3.853 5.618 . 0 0 "[ . 1 . 2]" 1
781 1 47 LEU MD2 1 51 GLN H . . 7.000 5.389 4.516 5.864 . 0 0 "[ . 1 . 2]" 1
782 1 47 LEU MD2 1 51 GLN HB2 . . 8.750 4.255 3.316 4.697 . 0 0 "[ . 1 . 2]" 1
783 1 47 LEU MD2 1 51 GLN HB3 . . 8.750 5.293 4.670 5.737 . 0 0 "[ . 1 . 2]" 1
784 1 47 LEU MD2 1 51 GLN HE21 . . 10.040 5.762 2.785 6.855 . 0 0 "[ . 1 . 2]" 1
785 1 47 LEU MD2 1 51 GLN HE22 . . 10.040 6.410 3.144 7.826 . 0 0 "[ . 1 . 2]" 1
786 1 47 LEU HG 1 48 GLY H . . 6.000 3.546 2.284 4.991 . 0 0 "[ . 1 . 2]" 1
787 1 48 GLY H 1 49 GLU H . . 5.400 3.012 2.446 3.233 . 0 0 "[ . 1 . 2]" 1
788 1 48 GLY H 1 49 GLU QB . . 5.280 4.599 3.919 4.768 . 0 0 "[ . 1 . 2]" 1
789 1 48 GLY H 1 51 GLN QB . . 4.980 4.259 3.335 4.547 . 0 0 "[ . 1 . 2]" 1
790 1 48 GLY QA 1 51 GLN H . . 5.780 3.657 3.191 4.241 . 0 0 "[ . 1 . 2]" 1
791 1 49 GLU H 1 49 GLU HB2 . . 3.900 2.204 2.059 2.317 . 0 0 "[ . 1 . 2]" 1
792 1 49 GLU H 1 49 GLU QB . . 3.550 2.120 2.023 2.216 . 0 0 "[ . 1 . 2]" 1
793 1 49 GLU H 1 49 GLU HB3 . . 3.900 2.765 2.647 2.964 . 0 0 "[ . 1 . 2]" 1
794 1 49 GLU H 1 49 GLU QG . . 4.300 3.845 3.692 3.880 . 0 0 "[ . 1 . 2]" 1
795 1 49 GLU H 1 50 GLU H . . 3.500 3.011 2.740 3.247 . 0 0 "[ . 1 . 2]" 1
796 1 49 GLU H 1 52 LEU QD . . 6.770 3.598 3.368 3.898 . 0 0 "[ . 1 . 2]" 1
797 1 49 GLU HA 1 51 GLN H . . 5.000 4.828 4.711 4.955 . 0 0 "[ . 1 . 2]" 1
798 1 49 GLU HA 1 52 LEU H . . 4.300 4.111 3.746 4.365 0.065 3 0 "[ . 1 . 2]" 1
799 1 49 GLU HA 1 52 LEU HB2 . . 5.900 2.993 2.522 3.723 . 0 0 "[ . 1 . 2]" 1
800 1 49 GLU HA 1 52 LEU QB . . 5.540 2.949 2.497 3.646 . 0 0 "[ . 1 . 2]" 1
801 1 49 GLU HA 1 52 LEU HB3 . . 5.900 4.471 4.020 5.215 . 0 0 "[ . 1 . 2]" 1
802 1 49 GLU HA 1 52 LEU MD1 . . 7.000 2.484 2.264 2.745 . 0 0 "[ . 1 . 2]" 1
803 1 49 GLU HA 1 52 LEU MD2 . . 7.000 5.103 4.860 5.327 . 0 0 "[ . 1 . 2]" 1
804 1 49 GLU HB2 1 50 GLU H . . 3.800 3.645 3.448 3.790 . 0 0 "[ . 1 . 2]" 1
805 1 49 GLU HB3 1 50 GLU H . . 3.800 2.402 2.232 2.645 . 0 0 "[ . 1 . 2]" 1
806 1 49 GLU QG 1 50 GLU H . . 6.900 3.902 3.600 4.318 . 0 0 "[ . 1 . 2]" 1
807 1 50 GLU H 1 50 GLU QB . . 3.680 2.135 1.995 2.335 . 0 0 "[ . 1 . 2]" 1
808 1 50 GLU H 1 50 GLU HG2 . . 4.500 4.174 3.625 4.469 . 0 0 "[ . 1 . 2]" 1
809 1 50 GLU H 1 50 GLU QG . . 4.070 3.233 2.400 3.680 . 0 0 "[ . 1 . 2]" 1
810 1 50 GLU H 1 50 GLU HG3 . . 4.500 3.399 2.433 4.204 . 0 0 "[ . 1 . 2]" 1
811 1 50 GLU H 1 51 GLN H . . 3.400 2.702 2.447 2.934 . 0 0 "[ . 1 . 2]" 1
812 1 50 GLU H 1 51 GLN QG . . 7.000 6.121 5.849 6.309 . 0 0 "[ . 1 . 2]" 1
813 1 50 GLU H 1 52 LEU H . . 5.700 4.363 4.130 4.550 . 0 0 "[ . 1 . 2]" 1
814 1 50 GLU H 1 52 LEU HG . . 6.000 5.956 5.720 6.048 0.048 17 0 "[ . 1 . 2]" 1
815 1 50 GLU HA 1 53 ARG H . . 4.900 3.569 3.281 3.800 . 0 0 "[ . 1 . 2]" 1
816 1 50 GLU HA 1 53 ARG HB2 . . 5.200 2.757 2.396 2.990 . 0 0 "[ . 1 . 2]" 1
817 1 50 GLU HA 1 53 ARG QB . . 5.030 2.673 2.347 2.839 . 0 0 "[ . 1 . 2]" 1
818 1 50 GLU HA 1 53 ARG HB3 . . 5.200 3.619 3.333 4.005 . 0 0 "[ . 1 . 2]" 1
819 1 50 GLU HA 1 54 THR H . . 4.700 4.666 4.305 4.764 0.064 5 0 "[ . 1 . 2]" 1
820 1 50 GLU QB 1 51 GLN H . . 4.120 2.506 2.303 2.828 . 0 0 "[ . 1 . 2]" 1
821 1 50 GLU HB2 1 51 GLN H . . 4.500 2.993 2.411 3.463 . 0 0 "[ . 1 . 2]" 1
822 1 50 GLU HB3 1 51 GLN H . . 4.500 2.846 2.387 3.269 . 0 0 "[ . 1 . 2]" 1
823 1 50 GLU QG 1 51 GLN H . . 5.130 4.277 4.082 4.510 . 0 0 "[ . 1 . 2]" 1
824 1 50 GLU QG 1 53 ARG H . . 6.180 5.216 4.610 5.512 . 0 0 "[ . 1 . 2]" 1
825 1 50 GLU HG2 1 51 GLN H . . 5.900 4.778 4.358 5.036 . 0 0 "[ . 1 . 2]" 1
826 1 50 GLU HG3 1 51 GLN H . . 5.900 4.869 4.497 5.140 . 0 0 "[ . 1 . 2]" 1
827 1 51 GLN H 1 51 GLN HB2 . . 3.000 2.158 1.984 2.282 . 0 0 "[ . 1 . 2]" 1
828 1 51 GLN H 1 51 GLN HB3 . . 3.000 2.892 2.525 3.063 0.063 17 0 "[ . 1 . 2]" 1
829 1 51 GLN H 1 51 GLN QG . . 4.200 3.776 3.707 3.897 . 0 0 "[ . 1 . 2]" 1
830 1 51 GLN H 1 52 LEU H . . 2.900 2.819 2.621 2.922 0.022 12 0 "[ . 1 . 2]" 1
831 1 51 GLN H 1 52 LEU HG . . 5.500 4.785 4.594 4.998 . 0 0 "[ . 1 . 2]" 1
832 1 51 GLN H 1 53 ARG H . . 4.200 4.178 4.079 4.244 0.044 14 0 "[ . 1 . 2]" 1
833 1 51 GLN HA 1 53 ARG H . . 6.000 4.403 4.186 4.592 . 0 0 "[ . 1 . 2]" 1
834 1 51 GLN HA 1 54 THR H . . 4.600 3.626 3.427 3.867 . 0 0 "[ . 1 . 2]" 1
835 1 51 GLN HA 1 54 THR HB . . 5.900 3.440 3.162 3.833 . 0 0 "[ . 1 . 2]" 1
836 1 51 GLN HA 1 55 ALA H . . 5.000 4.015 3.777 4.150 . 0 0 "[ . 1 . 2]" 1
837 1 51 GLN QB 1 53 ARG H . . 6.380 4.723 4.646 4.816 . 0 0 "[ . 1 . 2]" 1
838 1 51 GLN HB2 1 51 GLN HE22 . . 5.600 4.991 3.628 5.434 . 0 0 "[ . 1 . 2]" 1
839 1 51 GLN HB2 1 52 LEU H . . 3.700 3.497 3.244 3.707 0.007 14 0 "[ . 1 . 2]" 1
840 1 51 GLN HB3 1 51 GLN HE22 . . 5.600 4.553 3.726 5.424 . 0 0 "[ . 1 . 2]" 1
841 1 51 GLN HB3 1 52 LEU H . . 3.700 2.482 2.256 2.735 . 0 0 "[ . 1 . 2]" 1
842 1 51 GLN QG 1 52 LEU H . . 6.900 4.240 3.565 4.527 . 0 0 "[ . 1 . 2]" 1
843 1 51 GLN QG 1 53 ARG H . . 7.000 5.904 5.404 6.175 . 0 0 "[ . 1 . 2]" 1
844 1 52 LEU H 1 52 LEU HB2 . . 3.600 2.378 2.315 2.446 . 0 0 "[ . 1 . 2]" 1
845 1 52 LEU H 1 52 LEU QB . . 3.150 2.344 2.285 2.408 . 0 0 "[ . 1 . 2]" 1
846 1 52 LEU H 1 52 LEU HB3 . . 3.600 3.547 3.501 3.591 . 0 0 "[ . 1 . 2]" 1
847 1 52 LEU H 1 52 LEU MD1 . . 4.500 3.260 3.207 3.419 . 0 0 "[ . 1 . 2]" 1
848 1 52 LEU H 1 52 LEU QD . . 4.060 3.053 3.026 3.106 . 0 0 "[ . 1 . 2]" 1
849 1 52 LEU H 1 52 LEU MD2 . . 4.500 3.688 3.563 3.772 . 0 0 "[ . 1 . 2]" 1
850 1 52 LEU H 1 52 LEU HG . . 2.600 2.301 2.211 2.405 . 0 0 "[ . 1 . 2]" 1
851 1 52 LEU H 1 53 ARG H . . 3.300 2.904 2.811 3.012 . 0 0 "[ . 1 . 2]" 1
852 1 52 LEU H 1 54 THR H . . 6.000 4.548 4.332 4.717 . 0 0 "[ . 1 . 2]" 1
853 1 52 LEU HA 1 53 ARG H . . 3.600 3.613 3.592 3.629 0.029 2 0 "[ . 1 . 2]" 1
854 1 52 LEU HA 1 55 ALA H . . 4.500 3.425 3.143 3.779 . 0 0 "[ . 1 . 2]" 1
855 1 52 LEU HA 1 55 ALA MB . . 5.100 2.387 2.200 2.583 . 0 0 "[ . 1 . 2]" 1
856 1 52 LEU QB 1 56 ILE MD . . 7.880 2.297 1.990 3.870 . 0 0 "[ . 1 . 2]" 1
857 1 52 LEU HB2 1 53 ARG H . . 3.900 2.573 2.367 2.722 . 0 0 "[ . 1 . 2]" 1
858 1 52 LEU HB3 1 53 ARG H . . 3.900 3.465 3.302 3.608 . 0 0 "[ . 1 . 2]" 1
859 1 52 LEU QD 1 55 ALA H . . 8.570 4.912 4.613 5.214 . 0 0 "[ . 1 . 2]" 1
860 1 52 LEU MD1 1 53 ARG H . . 6.500 4.328 4.145 4.508 . 0 0 "[ . 1 . 2]" 1
861 1 52 LEU MD2 1 53 ARG H . . 6.500 4.792 4.687 4.856 . 0 0 "[ . 1 . 2]" 1
862 1 52 LEU HG 1 53 ARG H . . 5.400 4.551 4.436 4.667 . 0 0 "[ . 1 . 2]" 1
863 1 53 ARG H 1 53 ARG HB2 . . 3.100 2.133 2.066 2.212 . 0 0 "[ . 1 . 2]" 1
864 1 53 ARG H 1 53 ARG HB3 . . 3.100 3.072 2.953 3.167 0.067 5 0 "[ . 1 . 2]" 1
865 1 53 ARG H 1 53 ARG HD2 . . 4.300 3.829 3.439 4.312 0.012 3 0 "[ . 1 . 2]" 1
866 1 53 ARG H 1 53 ARG QD . . 4.060 3.384 3.103 3.608 . 0 0 "[ . 1 . 2]" 1
867 1 53 ARG H 1 53 ARG HD3 . . 4.300 3.818 3.411 4.296 . 0 0 "[ . 1 . 2]" 1
868 1 53 ARG H 1 53 ARG QG . . 4.600 4.000 3.913 4.060 . 0 0 "[ . 1 . 2]" 1
869 1 53 ARG H 1 54 THR H . . 3.700 2.958 2.688 3.162 . 0 0 "[ . 1 . 2]" 1
870 1 53 ARG H 1 54 THR HB . . 5.900 5.240 4.932 5.433 . 0 0 "[ . 1 . 2]" 1
871 1 53 ARG H 1 55 ALA H . . 4.800 4.383 4.184 4.596 . 0 0 "[ . 1 . 2]" 1
872 1 53 ARG HA 1 55 ALA H . . 6.000 4.977 4.874 5.168 . 0 0 "[ . 1 . 2]" 1
873 1 53 ARG HA 1 56 ILE H . . 4.600 4.486 4.295 4.621 0.021 19 0 "[ . 1 . 2]" 1
874 1 53 ARG HA 1 56 ILE HB . . 5.800 3.459 3.222 3.716 . 0 0 "[ . 1 . 2]" 1
875 1 53 ARG HA 1 56 ILE MD . . 7.000 3.657 2.850 5.627 . 0 0 "[ . 1 . 2]" 1
876 1 53 ARG HA 1 56 ILE QG . . 7.000 4.485 3.725 4.819 . 0 0 "[ . 1 . 2]" 1
877 1 53 ARG HA 1 56 ILE MG . . 7.000 4.624 4.341 4.872 . 0 0 "[ . 1 . 2]" 1
878 1 53 ARG HB2 1 54 THR H . . 5.000 3.359 3.107 3.538 . 0 0 "[ . 1 . 2]" 1
879 1 53 ARG HB3 1 54 THR H . . 5.000 2.450 2.240 2.724 . 0 0 "[ . 1 . 2]" 1
880 1 53 ARG QD 1 54 THR H . . 6.880 4.836 4.692 4.952 . 0 0 "[ . 1 . 2]" 1
881 1 53 ARG QD 1 54 THR HA . . 6.880 6.095 5.930 6.169 . 0 0 "[ . 1 . 2]" 1
882 1 53 ARG QG 1 54 THR H . . 7.000 4.076 3.922 4.261 . 0 0 "[ . 1 . 2]" 1
883 1 54 THR H 1 54 THR HB . . 3.100 2.545 2.475 2.610 . 0 0 "[ . 1 . 2]" 1
884 1 54 THR H 1 54 THR MG . . 4.500 3.763 3.713 3.797 . 0 0 "[ . 1 . 2]" 1
885 1 54 THR H 1 55 ALA H . . 2.700 2.682 2.581 2.734 0.034 13 0 "[ . 1 . 2]" 1
886 1 54 THR H 1 57 ALA MB . . 6.200 4.618 4.475 4.822 . 0 0 "[ . 1 . 2]" 1
887 1 54 THR HA 1 56 ILE H . . 5.400 4.963 4.789 5.096 . 0 0 "[ . 1 . 2]" 1
888 1 54 THR HA 1 57 ALA H . . 4.400 3.618 3.421 3.799 . 0 0 "[ . 1 . 2]" 1
889 1 54 THR HA 1 57 ALA MB . . 5.700 2.568 2.386 2.780 . 0 0 "[ . 1 . 2]" 1
890 1 54 THR HB 1 55 ALA H . . 3.500 2.518 2.350 2.723 . 0 0 "[ . 1 . 2]" 1
891 1 54 THR MG 1 55 ALA H . . 6.000 3.536 3.408 3.651 . 0 0 "[ . 1 . 2]" 1
892 1 54 THR MG 1 58 SER H . . 7.000 4.156 4.018 4.556 . 0 0 "[ . 1 . 2]" 1
893 1 55 ALA H 1 55 ALA HA . . 2.900 2.829 2.787 2.853 . 0 0 "[ . 1 . 2]" 1
894 1 55 ALA H 1 55 ALA MB . . 3.400 2.219 2.062 2.254 . 0 0 "[ . 1 . 2]" 1
895 1 55 ALA H 1 56 ILE H . . 3.400 2.857 2.738 2.964 . 0 0 "[ . 1 . 2]" 1
896 1 55 ALA H 1 58 SER H . . 5.700 4.643 4.556 4.847 . 0 0 "[ . 1 . 2]" 1
897 1 55 ALA HA 1 58 SER H . . 4.300 3.398 3.169 3.529 . 0 0 "[ . 1 . 2]" 1
898 1 55 ALA MB 1 56 ILE H . . 3.700 2.325 2.174 2.450 . 0 0 "[ . 1 . 2]" 1
899 1 55 ALA MB 1 56 ILE MD . . 8.000 4.446 4.125 4.613 . 0 0 "[ . 1 . 2]" 1
900 1 55 ALA MB 1 57 ALA H . . 6.000 4.576 4.493 4.665 . 0 0 "[ . 1 . 2]" 1
901 1 55 ALA MB 1 58 SER H . . 6.000 4.533 4.393 4.645 . 0 0 "[ . 1 . 2]" 1
902 1 56 ILE H 1 56 ILE HB . . 3.100 2.625 2.573 2.681 . 0 0 "[ . 1 . 2]" 1
903 1 56 ILE H 1 56 ILE MD . . 4.600 3.536 3.430 3.674 . 0 0 "[ . 1 . 2]" 1
904 1 56 ILE H 1 57 ALA H . . 3.400 2.969 2.899 3.038 . 0 0 "[ . 1 . 2]" 1
905 1 56 ILE HA 1 59 ALA MB . . 5.100 3.007 2.692 3.506 . 0 0 "[ . 1 . 2]" 1
906 1 56 ILE HB 1 57 ALA H . . 3.500 2.498 2.248 2.744 . 0 0 "[ . 1 . 2]" 1
907 1 56 ILE HB 1 61 HIS HD2 . . 6.000 5.663 4.714 6.039 0.039 10 0 "[ . 1 . 2]" 1
908 1 56 ILE MD 1 57 ALA H . . 7.000 4.499 4.191 4.903 . 0 0 "[ . 1 . 2]" 1
909 1 56 ILE MD 1 63 VAL QG . . 9.560 2.029 1.911 2.254 . 0 0 "[ . 1 . 2]" 1
910 1 56 ILE QG 1 57 ALA H . . 7.000 4.131 3.926 4.213 . 0 0 "[ . 1 . 2]" 1
911 1 56 ILE QG 1 61 HIS QB . . 7.880 4.159 3.818 4.784 . 0 0 "[ . 1 . 2]" 1
912 1 56 ILE MG 1 57 ALA H . . 5.800 3.326 3.051 3.458 . 0 0 "[ . 1 . 2]" 1
913 1 56 ILE MG 1 61 HIS H . . 5.100 2.432 2.160 2.745 . 0 0 "[ . 1 . 2]" 1
914 1 56 ILE MG 1 61 HIS HB2 . . 7.000 2.066 1.946 2.183 . 0 0 "[ . 1 . 2]" 1
915 1 56 ILE MG 1 61 HIS QB . . 6.840 2.047 1.926 2.162 . 0 0 "[ . 1 . 2]" 1
916 1 56 ILE MG 1 61 HIS HB3 . . 7.000 3.346 3.044 3.516 . 0 0 "[ . 1 . 2]" 1
917 1 56 ILE MG 1 61 HIS HD2 . . 7.000 2.917 2.186 3.464 . 0 0 "[ . 1 . 2]" 1
918 1 57 ALA H 1 57 ALA MB . . 3.400 2.255 2.234 2.276 . 0 0 "[ . 1 . 2]" 1
919 1 57 ALA H 1 58 SER H . . 3.300 2.830 2.620 2.909 . 0 0 "[ . 1 . 2]" 1
920 1 57 ALA HA 1 59 ALA H . . 5.000 4.113 3.624 4.474 . 0 0 "[ . 1 . 2]" 1
921 1 57 ALA HA 1 60 GLY H . . 5.100 3.091 2.879 3.349 . 0 0 "[ . 1 . 2]" 1
922 1 57 ALA HA 1 61 HIS H . . 3.600 3.560 3.049 3.653 0.053 14 0 "[ . 1 . 2]" 1
923 1 57 ALA MB 1 58 SER H . . 3.700 2.718 2.634 2.998 . 0 0 "[ . 1 . 2]" 1
924 1 58 SER H 1 58 SER HB2 . . 3.900 2.321 2.212 2.565 . 0 0 "[ . 1 . 2]" 1
925 1 58 SER H 1 58 SER HB3 . . 3.900 2.793 2.499 2.938 . 0 0 "[ . 1 . 2]" 1
926 1 58 SER H 1 59 ALA H . . 3.600 2.847 2.694 3.483 . 0 0 "[ . 1 . 2]" 1
927 1 58 SER HA 1 60 GLY H . . 5.100 4.692 4.520 5.080 . 0 0 "[ . 1 . 2]" 1
928 1 58 SER HB2 1 59 ALA H . . 4.900 3.871 3.602 4.670 . 0 0 "[ . 1 . 2]" 1
929 1 58 SER HB3 1 59 ALA H . . 4.900 2.835 2.570 4.353 . 0 0 "[ . 1 . 2]" 1
930 1 59 ALA H 1 59 ALA MB . . 3.400 2.286 2.180 2.863 . 0 0 "[ . 1 . 2]" 1
931 1 59 ALA H 1 60 GLY H . . 3.500 2.371 2.176 2.659 . 0 0 "[ . 1 . 2]" 1
932 1 59 ALA H 1 60 GLY QA . . 6.780 4.186 3.310 4.464 . 0 0 "[ . 1 . 2]" 1
933 1 59 ALA H 1 61 HIS H . . 4.900 4.650 4.381 4.910 0.010 14 0 "[ . 1 . 2]" 1
934 1 59 ALA MB 1 60 GLY H . . 4.100 2.517 2.220 2.689 . 0 0 "[ . 1 . 2]" 1
935 1 59 ALA MB 1 61 HIS H . . 4.500 3.686 3.339 3.784 . 0 0 "[ . 1 . 2]" 1
936 1 59 ALA MB 1 61 HIS HD2 . . 7.000 2.312 2.094 2.700 . 0 0 "[ . 1 . 2]" 1
937 1 59 ALA MB 1 61 HIS HE1 . . 7.000 4.694 4.016 5.255 . 0 0 "[ . 1 . 2]" 1
938 1 60 GLY H 1 61 HIS H . . 3.500 2.592 2.303 2.755 . 0 0 "[ . 1 . 2]" 1
939 1 60 GLY H 1 61 HIS QB . . 6.780 4.381 3.873 4.757 . 0 0 "[ . 1 . 2]" 1
940 1 61 HIS H 1 61 HIS HB2 . . 3.800 2.512 2.306 2.677 . 0 0 "[ . 1 . 2]" 1
941 1 61 HIS H 1 61 HIS QB . . 3.450 2.473 2.279 2.626 . 0 0 "[ . 1 . 2]" 1
942 1 61 HIS H 1 61 HIS HB3 . . 3.800 3.706 3.569 3.809 0.009 14 0 "[ . 1 . 2]" 1
943 1 61 HIS H 1 61 HIS HD2 . . 4.100 3.334 2.314 4.121 0.021 7 0 "[ . 1 . 2]" 1
944 1 61 HIS H 1 62 GLU H . . 5.300 4.479 4.364 4.580 . 0 0 "[ . 1 . 2]" 1
945 1 61 HIS QB 1 62 GLU H . . 4.120 2.895 2.596 3.139 . 0 0 "[ . 1 . 2]" 1
946 1 61 HIS QB 1 63 VAL QG . . 8.520 1.996 1.909 2.076 . 0 0 "[ . 1 . 2]" 1
947 1 61 HIS HB2 1 62 GLU H . . 4.500 4.059 3.780 4.294 . 0 0 "[ . 1 . 2]" 1
948 1 61 HIS HB2 1 63 VAL MG1 . . 10.120 4.194 2.143 5.137 . 0 0 "[ . 1 . 2]" 1
949 1 61 HIS HB2 1 63 VAL MG2 . . 10.120 2.872 2.075 5.147 . 0 0 "[ . 1 . 2]" 1
950 1 61 HIS HB3 1 62 GLU H . . 4.500 2.964 2.644 3.227 . 0 0 "[ . 1 . 2]" 1
951 1 61 HIS HB3 1 63 VAL MG1 . . 10.120 4.221 2.163 5.065 . 0 0 "[ . 1 . 2]" 1
952 1 61 HIS HB3 1 63 VAL MG2 . . 10.120 2.867 2.127 4.897 . 0 0 "[ . 1 . 2]" 1
953 1 62 GLU H 1 62 GLU HB2 . . 3.900 2.461 2.330 2.651 . 0 0 "[ . 1 . 2]" 1
954 1 62 GLU H 1 62 GLU QB . . 3.650 2.417 2.298 2.587 . 0 0 "[ . 1 . 2]" 1
955 1 62 GLU H 1 62 GLU HB3 . . 3.900 3.535 3.497 3.609 . 0 0 "[ . 1 . 2]" 1
956 1 62 GLU H 1 62 GLU HG2 . . 4.600 2.454 2.022 3.731 . 0 0 "[ . 1 . 2]" 1
957 1 62 GLU H 1 62 GLU QG . . 4.370 2.252 2.007 3.207 . 0 0 "[ . 1 . 2]" 1
958 1 62 GLU H 1 62 GLU HG3 . . 4.600 3.381 2.157 3.670 . 0 0 "[ . 1 . 2]" 1
959 1 62 GLU H 1 63 VAL H . . 3.400 3.478 3.401 3.527 0.127 13 0 "[ . 1 . 2]" 1
960 1 62 GLU HA 1 63 VAL QG . . 8.560 4.102 3.979 4.331 . 0 0 "[ . 1 . 2]" 1
961 1 62 GLU HB2 1 63 VAL H . . 5.000 4.340 4.301 4.389 . 0 0 "[ . 1 . 2]" 1
962 1 62 GLU HB3 1 63 VAL H . . 5.000 4.418 4.348 4.472 . 0 0 "[ . 1 . 2]" 1
963 1 62 GLU QG 1 63 VAL H . . 5.640 4.748 4.545 4.806 . 0 0 "[ . 1 . 2]" 1
964 1 62 GLU HG2 1 63 VAL H . . 6.000 5.168 4.947 5.967 . 0 0 "[ . 1 . 2]" 1
965 1 62 GLU HG3 1 63 VAL H . . 6.000 5.760 4.769 6.003 0.003 19 0 "[ . 1 . 2]" 1
966 1 63 VAL H 1 63 VAL HB . . 2.900 2.657 2.284 3.007 0.107 16 0 "[ . 1 . 2]" 1
967 1 63 VAL H 1 63 VAL MG1 . . 4.800 3.343 1.857 3.851 . 0 0 "[ . 1 . 2]" 1
968 1 63 VAL H 1 63 VAL QG . . 3.990 2.110 1.852 2.526 . 0 0 "[ . 1 . 2]" 1
969 1 63 VAL H 1 63 VAL MG2 . . 4.800 2.585 2.106 3.772 . 0 0 "[ . 1 . 2]" 1
970 1 63 VAL HB 1 64 GLU H . . 5.000 3.999 3.831 4.178 . 0 0 "[ . 1 . 2]" 1
971 1 63 VAL QG 1 64 GLU H . . 6.320 2.401 2.187 2.559 . 0 0 "[ . 1 . 2]" 1
972 1 63 VAL MG1 1 64 GLU H . . 6.900 2.848 2.311 4.182 . 0 0 "[ . 1 . 2]" 1
973 1 63 VAL MG2 1 64 GLU H . . 6.900 3.551 2.197 4.127 . 0 0 "[ . 1 . 2]" 1
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