NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
653471 |
6tey   |
34449 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6tey
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 766
_Distance_constraint_stats_list.Viol_count 253
_Distance_constraint_stats_list.Viol_total 1535.872
_Distance_constraint_stats_list.Viol_max 1.481
_Distance_constraint_stats_list.Viol_rms 0.0511
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.3035
_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 3 VAL 1.791 1.481 13 1 "[ . 1 + . 2]"
1 4 ASN 0.086 0.086 9 0 "[ . 1 . 2]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASN 0.344 0.203 18 0 "[ . 1 . 2]"
1 7 GLU 1.259 0.502 9 1 "[ . +1 . 2]"
1 8 TYR 5.013 1.481 13 4 "[ . - *1 + . *]"
1 9 LYS 0.344 0.203 18 0 "[ . 1 . 2]"
1 10 ILE 0.143 0.092 9 0 "[ . 1 . 2]"
1 11 LEU 1.403 0.491 10 0 "[ . 1 . 2]"
1 12 ILE 1.279 0.418 1 0 "[ . 1 . 2]"
1 13 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 8.518 0.963 9 5 "[ . +* * . - *]"
1 15 LYS 7.027 0.963 9 4 "[ . +* . - *]"
1 16 GLU 2.046 0.481 10 0 "[ . 1 . 2]"
1 17 ASN 4.825 0.742 16 4 "[** . 1 .+ -2]"
1 18 GLN 2.051 0.657 2 1 "[ + . 1 . 2]"
1 19 CYS 1.455 0.774 13 1 "[ . 1 + . 2]"
1 20 THR 2.478 1.123 12 2 "[ . 1 +- . 2]"
1 21 THR 3.342 1.123 12 1 "[ . 1 + . 2]"
1 22 GLU 3.508 1.118 6 3 "[ .+* 1 - . 2]"
1 23 LEU 4.335 1.118 12 3 "[ .* 1 +- . 2]"
1 24 LYS 4.919 1.118 12 2 "[ . 1 +- . 2]"
1 25 SER 2.845 0.494 10 0 "[ . 1 . 2]"
1 26 PHE 6.383 0.742 16 4 "[* . * .+ -2]"
1 27 THR 0.408 0.263 3 0 "[ . 1 . 2]"
1 28 TYR 0.283 0.150 19 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 0.814 0.191 6 0 "[ . 1 . 2]"
1 31 LEU 0.533 0.263 3 0 "[ . 1 . 2]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 3.035 0.654 10 1 "[ . + . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.227 0.227 10 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.360 0.227 10 0 "[ . 1 . 2]"
1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 SER 0.410 0.150 19 0 "[ . 1 . 2]"
1 46 ILE 14.332 0.804 16 5 "[ . * 1* .+* -2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 PHE 0.906 0.502 9 1 "[ . +1 . 2]"
1 50 LEU 4.044 0.804 16 3 "[ . * 1 .+ -2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 0.308 0.152 7 0 "[ . 1 . 2]"
1 53 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 TYR 0.012 0.012 8 0 "[ . 1 . 2]"
1 55 VAL 9.037 0.602 11 5 "[ . * 1+ .** -2]"
1 56 LYS 1.100 0.407 8 0 "[ . 1 . 2]"
1 57 GLU 0.810 0.407 8 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 CYS 1.733 0.912 8 2 "[ . +-1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.113 0.065 3 0 "[ . 1 . 2]"
1 63 ILE 0.113 0.065 3 0 "[ . 1 . 2]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 2.101 0.912 8 2 "[ . +-1 . 2]"
1 66 THR 1.664 0.494 10 0 "[ . 1 . 2]"
1 67 PHE 2.488 0.494 7 0 "[ . 1 . 2]"
1 68 TYR 4.849 1.118 6 3 "[ .+* 1 - . 2]"
1 69 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 THR 0.139 0.139 15 0 "[ . 1 . 2]"
1 71 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 1.473 0.679 9 1 "[ . +1 . 2]"
1 74 ILE 1.841 0.970 10 1 "[ . + . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 1.473 0.679 9 1 "[ . +1 . 2]"
1 77 LEU 2.785 1.021 20 2 "[ . - . +]"
1 78 LYS 9.806 0.788 13 7 "[ . - 1**+** * 2]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 10.236 1.021 20 5 "[ -* * *1 . +]"
1 81 MET 3.319 0.568 9 3 "[ -* +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 3 VAL HB 1 8 TYR QB . . 4.110 3.247 2.238 5.591 1.481 13 1 "[ . 1 + . 2]" 1
2 1 4 ASN HA 1 4 ASN QD . . 4.290 3.827 1.873 4.021 . 0 0 "[ . 1 . 2]" 1
3 1 4 ASN QB 1 7 GLU QG . . 5.010 4.426 3.263 5.096 0.086 9 0 "[ . 1 . 2]" 1
4 1 5 LYS HA 1 5 LYS QG . . 3.920 2.647 2.291 3.402 . 0 0 "[ . 1 . 2]" 1
5 1 6 ASN H 1 7 GLU H . . 4.790 2.862 2.428 3.747 . 0 0 "[ . 1 . 2]" 1
6 1 6 ASN H 1 9 LYS H . . 4.700 4.195 3.080 4.903 0.203 18 0 "[ . 1 . 2]" 1
7 1 6 ASN HA 1 9 LYS H . . 5.510 4.123 3.143 5.095 . 0 0 "[ . 1 . 2]" 1
8 1 6 ASN QB 1 7 GLU H . . 4.630 2.477 2.168 2.933 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLU H 1 7 GLU HG2 . . 4.730 3.798 3.258 4.339 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLU H 1 7 GLU QG . . 3.990 2.906 2.236 3.826 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLU H 1 7 GLU HG3 . . 4.730 3.073 2.278 4.355 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLU QB 1 9 LYS H . . 5.250 4.402 4.222 4.637 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLU QB 1 49 PHE HZ . . 4.720 2.988 2.286 5.222 0.502 9 1 "[ . +1 . 2]" 1
14 1 7 GLU QG 1 45 SER HA . . 4.950 4.209 3.187 4.893 . 0 0 "[ . 1 . 2]" 1
15 1 7 GLU QG 1 45 SER QB . . 3.980 3.522 2.533 4.130 0.150 19 0 "[ . 1 . 2]" 1
16 1 7 GLU QG 1 49 PHE HZ . . 4.910 4.267 2.476 5.171 0.261 12 0 "[ . 1 . 2]" 1
17 1 8 TYR H 1 8 TYR HB2 . . 4.310 2.258 2.096 2.403 . 0 0 "[ . 1 . 2]" 1
18 1 8 TYR H 1 8 TYR QB . . 3.730 2.160 2.053 2.225 . 0 0 "[ . 1 . 2]" 1
19 1 8 TYR H 1 8 TYR HB3 . . 4.310 2.790 2.496 2.945 . 0 0 "[ . 1 . 2]" 1
20 1 8 TYR H 1 8 TYR QD . . 4.500 4.033 3.795 4.178 . 0 0 "[ . 1 . 2]" 1
21 1 8 TYR H 1 9 LYS H . . 4.320 2.745 2.642 2.937 . 0 0 "[ . 1 . 2]" 1
22 1 8 TYR HA 1 8 TYR QD . . 4.050 2.772 2.113 3.051 . 0 0 "[ . 1 . 2]" 1
23 1 8 TYR HA 1 12 ILE QG . . 4.690 4.413 4.346 4.462 . 0 0 "[ . 1 . 2]" 1
24 1 8 TYR QB 1 12 ILE QG . . 4.790 3.745 3.208 4.101 . 0 0 "[ . 1 . 2]" 1
25 1 8 TYR QD 1 11 LEU QB . . 4.690 3.018 2.229 3.543 . 0 0 "[ . 1 . 2]" 1
26 1 8 TYR QD 1 11 LEU QD . . 3.960 2.833 2.046 4.009 0.049 18 0 "[ . 1 . 2]" 1
27 1 8 TYR QD 1 77 LEU MD2 . . 4.460 4.086 3.730 4.278 . 0 0 "[ . 1 . 2]" 1
28 1 8 TYR QD 1 80 ILE MD . . 4.360 4.178 3.205 5.206 0.846 20 3 "[ . - *1 . +]" 1
29 1 8 TYR QE 1 11 LEU QD . . 4.660 2.743 2.355 3.628 . 0 0 "[ . 1 . 2]" 1
30 1 8 TYR QE 1 12 ILE MD . . 4.580 2.990 2.321 4.120 . 0 0 "[ . 1 . 2]" 1
31 1 8 TYR QE 1 77 LEU MD2 . . 3.850 2.358 1.898 2.826 . 0 0 "[ . 1 . 2]" 1
32 1 9 LYS H 1 9 LYS HB2 . . 3.990 2.505 2.044 3.017 . 0 0 "[ . 1 . 2]" 1
33 1 9 LYS H 1 9 LYS QB . . 3.440 2.129 1.946 2.258 . 0 0 "[ . 1 . 2]" 1
34 1 9 LYS H 1 9 LYS HB3 . . 3.990 2.576 1.971 3.356 . 0 0 "[ . 1 . 2]" 1
35 1 9 LYS H 1 9 LYS HG2 . . 5.250 4.367 3.843 4.618 . 0 0 "[ . 1 . 2]" 1
36 1 9 LYS H 1 9 LYS QG . . 4.290 3.827 3.304 4.006 . 0 0 "[ . 1 . 2]" 1
37 1 9 LYS H 1 9 LYS HG3 . . 5.250 4.294 3.441 4.624 . 0 0 "[ . 1 . 2]" 1
38 1 9 LYS HA 1 9 LYS HG2 . . 3.860 3.234 2.278 3.837 . 0 0 "[ . 1 . 2]" 1
39 1 9 LYS HA 1 9 LYS HG3 . . 3.860 2.659 2.325 3.122 . 0 0 "[ . 1 . 2]" 1
40 1 9 LYS HA 1 12 ILE H . . 4.620 3.485 3.142 3.911 . 0 0 "[ . 1 . 2]" 1
41 1 9 LYS HA 1 12 ILE MD . . 4.870 3.342 2.265 4.462 . 0 0 "[ . 1 . 2]" 1
42 1 9 LYS HA 1 12 ILE MG . . 4.710 3.908 3.641 4.285 . 0 0 "[ . 1 . 2]" 1
43 1 10 ILE H 1 10 ILE HB . . 4.210 2.365 2.252 2.498 . 0 0 "[ . 1 . 2]" 1
44 1 10 ILE H 1 10 ILE HG12 . . 4.490 3.444 2.118 4.003 . 0 0 "[ . 1 . 2]" 1
45 1 10 ILE H 1 10 ILE HG13 . . 4.490 2.960 2.290 3.697 . 0 0 "[ . 1 . 2]" 1
46 1 10 ILE H 1 12 ILE H . . 5.070 3.946 3.796 4.082 . 0 0 "[ . 1 . 2]" 1
47 1 10 ILE HA 1 10 ILE MD . . 4.150 3.263 2.169 3.851 . 0 0 "[ . 1 . 2]" 1
48 1 10 ILE HA 1 10 ILE HG12 . . 4.370 3.077 2.596 3.688 . 0 0 "[ . 1 . 2]" 1
49 1 10 ILE HA 1 10 ILE HG13 . . 4.370 2.833 2.319 3.866 . 0 0 "[ . 1 . 2]" 1
50 1 10 ILE HA 1 13 MET QB . . 3.930 3.128 2.637 3.610 . 0 0 "[ . 1 . 2]" 1
51 1 10 ILE HA 1 13 MET QG . . 4.750 2.746 2.225 2.961 . 0 0 "[ . 1 . 2]" 1
52 1 10 ILE HA 1 14 LEU H . . 6.050 4.846 4.433 5.651 . 0 0 "[ . 1 . 2]" 1
53 1 10 ILE HB 1 10 ILE MD . . 3.430 2.535 2.209 3.237 . 0 0 "[ . 1 . 2]" 1
54 1 10 ILE HB 1 11 LEU H . . 4.620 2.500 2.379 2.665 . 0 0 "[ . 1 . 2]" 1
55 1 10 ILE HB 1 49 PHE QE . . 3.980 2.236 2.055 2.878 . 0 0 "[ . 1 . 2]" 1
56 1 10 ILE MD 1 45 SER QB . . 3.930 2.469 1.946 3.593 . 0 0 "[ . 1 . 2]" 1
57 1 10 ILE MD 1 46 ILE H . . 5.020 4.183 3.410 4.652 . 0 0 "[ . 1 . 2]" 1
58 1 10 ILE QG 1 10 ILE MG . . 3.080 2.202 2.003 2.464 . 0 0 "[ . 1 . 2]" 1
59 1 10 ILE QG 1 11 LEU H . . 4.750 4.224 3.993 4.396 . 0 0 "[ . 1 . 2]" 1
60 1 10 ILE QG 1 49 PHE QE . . 4.360 3.616 2.646 4.410 0.050 9 0 "[ . 1 . 2]" 1
61 1 10 ILE HG12 1 49 PHE QE . . 4.960 4.068 3.353 4.862 . 0 0 "[ . 1 . 2]" 1
62 1 10 ILE HG13 1 49 PHE QE . . 4.960 4.260 2.701 5.052 0.092 9 0 "[ . 1 . 2]" 1
63 1 10 ILE MG 1 11 LEU H . . 4.710 3.067 2.809 3.263 . 0 0 "[ . 1 . 2]" 1
64 1 10 ILE MG 1 11 LEU HA . . 4.550 3.241 3.004 3.440 . 0 0 "[ . 1 . 2]" 1
65 1 10 ILE MG 1 11 LEU MD1 . . 4.800 4.272 3.798 4.386 . 0 0 "[ . 1 . 2]" 1
66 1 10 ILE MG 1 11 LEU MD2 . . 4.800 3.132 2.100 3.964 . 0 0 "[ . 1 . 2]" 1
67 1 10 ILE MG 1 12 ILE H . . 4.930 4.584 4.507 4.652 . 0 0 "[ . 1 . 2]" 1
68 1 10 ILE MG 1 13 MET QB . . 4.300 3.856 3.519 3.948 . 0 0 "[ . 1 . 2]" 1
69 1 10 ILE MG 1 13 MET QG . . 4.820 4.294 3.736 4.462 . 0 0 "[ . 1 . 2]" 1
70 1 10 ILE MG 1 46 ILE MD . . 3.880 2.486 1.889 3.167 . 0 0 "[ . 1 . 2]" 1
71 1 10 ILE MG 1 49 PHE QD . . 4.310 3.271 2.884 3.724 . 0 0 "[ . 1 . 2]" 1
72 1 10 ILE MG 1 49 PHE QE . . 4.140 2.707 2.039 3.355 . 0 0 "[ . 1 . 2]" 1
73 1 11 LEU H 1 11 LEU HB2 . . 4.350 2.282 2.096 2.448 . 0 0 "[ . 1 . 2]" 1
74 1 11 LEU H 1 11 LEU QB . . 3.750 2.256 2.077 2.410 . 0 0 "[ . 1 . 2]" 1
75 1 11 LEU H 1 11 LEU HB3 . . 4.350 3.536 3.393 3.601 . 0 0 "[ . 1 . 2]" 1
76 1 11 LEU H 1 11 LEU MD1 . . 4.980 3.568 3.296 4.074 . 0 0 "[ . 1 . 2]" 1
77 1 11 LEU H 1 11 LEU QD . . 4.360 3.143 2.431 3.312 . 0 0 "[ . 1 . 2]" 1
78 1 11 LEU H 1 11 LEU MD2 . . 4.980 3.624 2.451 4.148 . 0 0 "[ . 1 . 2]" 1
79 1 11 LEU H 1 11 LEU HG . . 4.160 2.690 2.335 4.138 . 0 0 "[ . 1 . 2]" 1
80 1 11 LEU H 1 12 ILE H . . 3.940 2.595 2.467 2.725 . 0 0 "[ . 1 . 2]" 1
81 1 11 LEU HA 1 11 LEU MD1 . . 4.280 3.678 1.932 3.910 . 0 0 "[ . 1 . 2]" 1
82 1 11 LEU HA 1 11 LEU QD . . 3.510 2.122 1.856 2.295 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU HA 1 11 LEU MD2 . . 4.280 2.182 2.092 2.407 . 0 0 "[ . 1 . 2]" 1
84 1 11 LEU HA 1 14 LEU H . . 4.930 3.769 3.487 4.046 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU HA 1 14 LEU QD . . 3.960 2.150 1.883 2.556 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU HA 1 14 LEU HG . . 4.880 3.384 2.308 4.834 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU QB 1 12 ILE H . . 4.040 3.096 2.802 3.454 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU QB 1 12 ILE MD . . 4.550 4.004 3.536 4.266 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU QB 1 14 LEU QD . . 4.850 3.495 3.137 3.935 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU QB 1 49 PHE QE . . 4.740 4.278 3.563 4.587 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU QD 1 14 LEU QD . . 3.330 2.292 1.910 2.593 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU QD 1 14 LEU HG . . 4.730 4.216 3.468 5.221 0.491 10 0 "[ . 1 . 2]" 1
93 1 11 LEU QD 1 49 PHE QB . . 3.980 2.953 2.629 3.465 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU QD 1 49 PHE QD . . 4.400 2.819 2.559 2.992 . 0 0 "[ . 1 . 2]" 1
95 1 11 LEU QD 1 52 LEU QB . . 4.600 4.026 3.818 4.752 0.152 7 0 "[ . 1 . 2]" 1
96 1 11 LEU QD 1 52 LEU QD . . 4.640 3.510 2.963 4.592 . 0 0 "[ . 1 . 2]" 1
97 1 11 LEU QD 1 54 TYR HB2 . . 5.040 2.622 2.392 2.920 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU QD 1 54 TYR HB3 . . 4.740 2.366 2.005 2.655 . 0 0 "[ . 1 . 2]" 1
99 1 11 LEU QD 1 54 TYR QD . . 3.930 2.317 1.983 3.480 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU QD 1 55 VAL QG . . 3.140 2.196 1.936 2.560 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU QD 1 73 GLY HA3 . . 4.910 3.574 2.974 3.882 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU MD1 1 49 PHE HB2 . . 6.490 4.583 4.036 5.452 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU MD1 1 49 PHE HB3 . . 6.490 3.549 2.974 4.520 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU MD1 1 54 TYR QD . . 4.820 2.408 1.990 4.302 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU MD2 1 49 PHE HB2 . . 6.490 4.299 3.368 5.038 . 0 0 "[ . 1 . 2]" 1
106 1 11 LEU MD2 1 49 PHE HB3 . . 6.490 3.450 2.782 4.048 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU MD2 1 54 TYR QD . . 4.820 3.668 3.276 4.054 . 0 0 "[ . 1 . 2]" 1
108 1 11 LEU HG 1 14 LEU QD . . 4.860 3.987 3.686 4.292 . 0 0 "[ . 1 . 2]" 1
109 1 11 LEU HG 1 49 PHE QD . . 4.630 3.542 2.870 4.338 . 0 0 "[ . 1 . 2]" 1
110 1 11 LEU HG 1 49 PHE QE . . 4.480 2.997 2.251 4.466 . 0 0 "[ . 1 . 2]" 1
111 1 12 ILE H 1 12 ILE HB . . 3.990 2.511 2.323 2.641 . 0 0 "[ . 1 . 2]" 1
112 1 12 ILE H 1 12 ILE MD . . 4.020 3.482 3.318 3.652 . 0 0 "[ . 1 . 2]" 1
113 1 12 ILE H 1 12 ILE QG . . 4.080 2.443 2.295 2.658 . 0 0 "[ . 1 . 2]" 1
114 1 12 ILE H 1 12 ILE MG . . 4.580 3.835 3.764 3.904 . 0 0 "[ . 1 . 2]" 1
115 1 12 ILE HA 1 12 ILE MD . . 4.740 3.036 2.164 3.928 . 0 0 "[ . 1 . 2]" 1
116 1 12 ILE HA 1 12 ILE HG12 . . 4.070 2.894 2.568 3.208 . 0 0 "[ . 1 . 2]" 1
117 1 12 ILE HA 1 12 ILE HG13 . . 4.070 3.287 2.634 3.778 . 0 0 "[ . 1 . 2]" 1
118 1 12 ILE HA 1 15 LYS QB . . 4.530 2.259 1.957 2.806 . 0 0 "[ . 1 . 2]" 1
119 1 12 ILE HA 1 16 GLU H . . 5.430 4.103 3.562 4.608 . 0 0 "[ . 1 . 2]" 1
120 1 12 ILE MD 1 80 ILE MD . . 4.070 2.835 1.989 4.134 0.064 5 0 "[ . 1 . 2]" 1
121 1 12 ILE QG 1 13 MET H . . 4.610 4.219 4.101 4.289 . 0 0 "[ . 1 . 2]" 1
122 1 12 ILE QG 1 80 ILE MD . . 4.940 3.521 2.443 4.545 . 0 0 "[ . 1 . 2]" 1
123 1 12 ILE MG 1 13 MET H . . 5.290 3.624 3.438 3.795 . 0 0 "[ . 1 . 2]" 1
124 1 12 ILE MG 1 13 MET HA . . 4.900 3.698 3.471 3.947 . 0 0 "[ . 1 . 2]" 1
125 1 12 ILE MG 1 13 MET QG . . 4.900 4.320 4.002 4.500 . 0 0 "[ . 1 . 2]" 1
126 1 12 ILE MG 1 16 GLU H . . 5.280 3.798 3.379 4.167 . 0 0 "[ . 1 . 2]" 1
127 1 12 ILE MG 1 16 GLU QB . . 4.610 3.952 2.490 4.259 . 0 0 "[ . 1 . 2]" 1
128 1 12 ILE MG 1 16 GLU HG2 . . 4.410 3.191 2.407 4.668 0.258 20 0 "[ . 1 . 2]" 1
129 1 12 ILE MG 1 16 GLU QG . . 3.820 2.850 2.358 3.947 0.127 20 0 "[ . 1 . 2]" 1
130 1 12 ILE MG 1 16 GLU HG3 . . 4.410 3.464 2.506 4.828 0.418 1 0 "[ . 1 . 2]" 1
131 1 12 ILE MG 1 80 ILE MD . . 4.440 3.912 3.175 4.843 0.403 5 0 "[ . 1 . 2]" 1
132 1 13 MET H 1 13 MET HB2 . . 3.930 2.554 2.406 2.733 . 0 0 "[ . 1 . 2]" 1
133 1 13 MET H 1 13 MET HB3 . . 3.930 3.619 3.587 3.647 . 0 0 "[ . 1 . 2]" 1
134 1 13 MET H 1 13 MET QG . . 4.250 2.248 2.005 2.426 . 0 0 "[ . 1 . 2]" 1
135 1 13 MET H 1 14 LEU H . . 4.300 2.922 2.782 3.039 . 0 0 "[ . 1 . 2]" 1
136 1 13 MET HA 1 16 GLU H . . 5.010 3.845 3.533 4.418 . 0 0 "[ . 1 . 2]" 1
137 1 13 MET QB 1 31 LEU QD . . 4.760 3.274 2.397 3.986 . 0 0 "[ . 1 . 2]" 1
138 1 13 MET HB2 1 14 LEU H . . 4.620 2.712 2.361 3.402 . 0 0 "[ . 1 . 2]" 1
139 1 13 MET HB3 1 14 LEU H . . 4.620 3.650 3.377 4.111 . 0 0 "[ . 1 . 2]" 1
140 1 14 LEU H 1 14 LEU QB . . 3.740 2.908 2.327 3.088 . 0 0 "[ . 1 . 2]" 1
141 1 14 LEU H 1 14 LEU MD1 . . 4.570 2.789 1.908 3.534 . 0 0 "[ . 1 . 2]" 1
142 1 14 LEU H 1 14 LEU QD . . 3.930 2.520 1.902 3.085 . 0 0 "[ . 1 . 2]" 1
143 1 14 LEU H 1 14 LEU MD2 . . 4.570 3.466 2.513 4.087 . 0 0 "[ . 1 . 2]" 1
144 1 14 LEU H 1 14 LEU HG . . 4.250 2.085 1.759 2.889 . 0 0 "[ . 1 . 2]" 1
145 1 14 LEU H 1 15 LYS H . . 4.100 2.629 2.077 2.873 . 0 0 "[ . 1 . 2]" 1
146 1 14 LEU H 1 15 LYS QB . . 4.860 4.308 3.720 4.537 . 0 0 "[ . 1 . 2]" 1
147 1 14 LEU HA 1 14 LEU QD . . 3.700 3.263 2.359 3.451 . 0 0 "[ . 1 . 2]" 1
148 1 14 LEU HA 1 19 CYS QB . . 4.270 2.879 2.254 3.884 . 0 0 "[ . 1 . 2]" 1
149 1 14 LEU QB 1 15 LYS H . . 3.890 3.320 2.549 3.803 . 0 0 "[ . 1 . 2]" 1
150 1 14 LEU QB 1 19 CYS H . . 4.600 3.118 2.472 3.808 . 0 0 "[ . 1 . 2]" 1
151 1 14 LEU QB 1 19 CYS HA . . 4.830 4.294 4.034 5.326 0.496 13 0 "[ . 1 . 2]" 1
152 1 14 LEU QB 1 19 CYS QB . . 4.420 2.380 1.915 3.467 . 0 0 "[ . 1 . 2]" 1
153 1 14 LEU QB 1 26 PHE QB . . 5.870 4.643 3.993 5.376 . 0 0 "[ . 1 . 2]" 1
154 1 14 LEU QD 1 15 LYS HA . . 4.250 4.178 2.708 5.213 0.963 9 4 "[ . +* . - *]" 1
155 1 14 LEU QD 1 19 CYS QB . . 3.650 3.226 2.148 4.424 0.774 13 1 "[ . 1 + . 2]" 1
156 1 14 LEU QD 1 26 PHE H . . 5.950 4.699 3.978 5.326 . 0 0 "[ . 1 . 2]" 1
157 1 14 LEU QD 1 26 PHE QB . . 4.690 3.143 2.377 3.935 . 0 0 "[ . 1 . 2]" 1
158 1 14 LEU QD 1 26 PHE QD . . 4.050 2.562 1.896 3.235 . 0 0 "[ . 1 . 2]" 1
159 1 14 LEU QD 1 31 LEU QD . . 3.960 2.580 2.018 3.315 . 0 0 "[ . 1 . 2]" 1
160 1 14 LEU HG 1 26 PHE QD . . 5.030 4.505 3.003 5.293 0.263 2 0 "[ . 1 . 2]" 1
161 1 14 LEU HG 1 31 LEU QD . . 4.390 3.720 2.960 4.242 . 0 0 "[ . 1 . 2]" 1
162 1 15 LYS H 1 15 LYS QB . . 3.810 2.181 2.074 2.326 . 0 0 "[ . 1 . 2]" 1
163 1 15 LYS H 1 15 LYS QD . . 4.900 4.363 4.079 4.758 . 0 0 "[ . 1 . 2]" 1
164 1 15 LYS H 1 16 GLU H . . 4.260 2.778 2.154 3.084 . 0 0 "[ . 1 . 2]" 1
165 1 15 LYS HA 1 77 LEU MD1 . . 4.930 3.082 2.184 4.166 . 0 0 "[ . 1 . 2]" 1
166 1 15 LYS QB 1 15 LYS QE . . 3.950 3.549 2.301 3.926 . 0 0 "[ . 1 . 2]" 1
167 1 15 LYS QB 1 16 GLU H . . 3.880 2.582 2.284 3.049 . 0 0 "[ . 1 . 2]" 1
168 1 15 LYS HB2 1 16 GLU H . . 4.480 3.899 3.537 4.264 . 0 0 "[ . 1 . 2]" 1
169 1 15 LYS HB3 1 16 GLU H . . 4.480 2.621 2.307 3.123 . 0 0 "[ . 1 . 2]" 1
170 1 15 LYS QD 1 16 GLU HA . . 4.310 3.652 2.902 4.791 0.481 10 0 "[ . 1 . 2]" 1
171 1 15 LYS QD 1 77 LEU MD1 . . 4.190 3.450 2.118 4.226 0.036 5 0 "[ . 1 . 2]" 1
172 1 15 LYS QG 1 16 GLU H . . 5.230 3.686 2.736 4.312 . 0 0 "[ . 1 . 2]" 1
173 1 16 GLU H 1 16 GLU QB . . 3.760 2.381 2.173 2.604 . 0 0 "[ . 1 . 2]" 1
174 1 16 GLU H 1 16 GLU HG2 . . 4.590 2.691 2.089 4.303 . 0 0 "[ . 1 . 2]" 1
175 1 16 GLU H 1 16 GLU QG . . 3.970 2.492 2.058 3.827 . 0 0 "[ . 1 . 2]" 1
176 1 16 GLU H 1 16 GLU HG3 . . 4.590 3.543 2.349 4.288 . 0 0 "[ . 1 . 2]" 1
177 1 16 GLU H 1 17 ASN H . . 4.390 2.710 2.306 2.982 . 0 0 "[ . 1 . 2]" 1
178 1 16 GLU HA 1 16 GLU HG2 . . 4.380 2.968 2.389 3.609 . 0 0 "[ . 1 . 2]" 1
179 1 16 GLU HA 1 16 GLU QG . . 3.690 2.811 2.324 3.232 . 0 0 "[ . 1 . 2]" 1
180 1 16 GLU HA 1 16 GLU HG3 . . 4.380 3.589 2.544 3.851 . 0 0 "[ . 1 . 2]" 1
181 1 16 GLU QB 1 17 ASN H . . 4.410 2.889 2.492 3.770 . 0 0 "[ . 1 . 2]" 1
182 1 17 ASN H 1 17 ASN HB2 . . 4.310 2.395 2.186 2.619 . 0 0 "[ . 1 . 2]" 1
183 1 17 ASN H 1 18 GLN H . . 4.250 2.596 2.005 2.945 . 0 0 "[ . 1 . 2]" 1
184 1 17 ASN H 1 18 GLN QG . . 5.010 4.871 4.192 5.667 0.657 2 1 "[ + . 1 . 2]" 1
185 1 17 ASN HB2 1 26 PHE QE . . 4.880 4.109 2.873 4.632 . 0 0 "[ . 1 . 2]" 1
186 1 17 ASN HB2 1 26 PHE HZ . . 4.880 4.566 3.245 5.622 0.742 16 3 "[* . 1 .+ -2]" 1
187 1 17 ASN HB3 1 26 PHE HZ . . 4.880 4.397 3.091 5.156 0.276 16 0 "[ . 1 . 2]" 1
188 1 18 GLN H 1 18 GLN QG . . 4.040 3.051 2.567 3.785 . 0 0 "[ . 1 . 2]" 1
189 1 18 GLN H 1 19 CYS H . . 4.320 2.802 2.477 3.004 . 0 0 "[ . 1 . 2]" 1
190 1 18 GLN HA 1 18 GLN QG . . 3.740 2.737 2.318 3.275 . 0 0 "[ . 1 . 2]" 1
191 1 18 GLN HA 1 20 THR MG . . 4.240 3.267 2.368 4.069 . 0 0 "[ . 1 . 2]" 1
192 1 19 CYS H 1 19 CYS QB . . 3.510 2.359 2.168 2.519 . 0 0 "[ . 1 . 2]" 1
193 1 20 THR H 1 24 LYS QB . . 5.390 4.777 3.719 5.961 0.571 13 1 "[ . 1 + . 2]" 1
194 1 20 THR HA 1 21 THR MG . . 4.500 4.285 3.875 5.623 1.123 12 1 "[ . 1 + . 2]" 1
195 1 21 THR H 1 21 THR MG . . 4.330 2.795 2.311 3.739 . 0 0 "[ . 1 . 2]" 1
196 1 21 THR H 1 24 LYS QB . . 4.400 3.524 2.434 4.114 . 0 0 "[ . 1 . 2]" 1
197 1 21 THR H 1 68 TYR QB . . 5.040 4.181 3.650 4.738 . 0 0 "[ . 1 . 2]" 1
198 1 21 THR HA 1 21 THR MG . . 3.670 2.964 2.189 3.273 . 0 0 "[ . 1 . 2]" 1
199 1 21 THR HA 1 22 GLU H . . 3.770 2.396 2.194 2.591 . 0 0 "[ . 1 . 2]" 1
200 1 21 THR HA 1 68 TYR QD . . 5.250 5.202 4.873 5.824 0.574 12 1 "[ . 1 + . 2]" 1
201 1 21 THR HB 1 22 GLU H . . 4.160 3.567 2.527 4.026 . 0 0 "[ . 1 . 2]" 1
202 1 21 THR HB 1 23 LEU H . . 4.690 4.061 2.809 4.792 0.102 1 0 "[ . 1 . 2]" 1
203 1 21 THR MG 1 22 GLU H . . 4.550 3.518 2.462 3.995 . 0 0 "[ . 1 . 2]" 1
204 1 21 THR MG 1 24 LYS QE . . 4.680 3.290 2.049 4.175 . 0 0 "[ . 1 . 2]" 1
205 1 21 THR MG 1 24 LYS QG . . 3.940 2.811 1.889 4.570 0.630 12 1 "[ . 1 + . 2]" 1
206 1 22 GLU H 1 22 GLU QG . . 3.930 2.228 1.834 2.651 . 0 0 "[ . 1 . 2]" 1
207 1 22 GLU H 1 23 LEU H . . 4.510 2.737 2.455 2.947 . 0 0 "[ . 1 . 2]" 1
208 1 22 GLU H 1 23 LEU QD . . 4.860 4.161 3.327 5.457 0.597 6 2 "[ .+ 1 - . 2]" 1
209 1 22 GLU H 1 68 TYR QD . . 5.850 4.466 4.062 4.783 . 0 0 "[ . 1 . 2]" 1
210 1 22 GLU HA 1 68 TYR QD . . 4.460 2.378 2.137 2.801 . 0 0 "[ . 1 . 2]" 1
211 1 22 GLU HA 1 68 TYR QE . . 4.290 3.378 2.838 3.725 . 0 0 "[ . 1 . 2]" 1
212 1 22 GLU HA 1 70 THR HA . . 5.040 4.505 3.824 4.733 . 0 0 "[ . 1 . 2]" 1
213 1 22 GLU QB 1 68 TYR QE . . 4.370 3.566 3.153 4.089 . 0 0 "[ . 1 . 2]" 1
214 1 22 GLU QB 1 70 THR HA . . 5.310 4.882 4.067 5.449 0.139 15 0 "[ . 1 . 2]" 1
215 1 22 GLU QG 1 68 TYR QE . . 4.210 2.947 2.151 5.328 1.118 6 2 "[ .+- 1 . 2]" 1
216 1 23 LEU H 1 23 LEU QB . . 3.870 2.331 2.085 3.139 . 0 0 "[ . 1 . 2]" 1
217 1 23 LEU H 1 23 LEU MD1 . . 4.630 3.029 1.885 4.142 . 0 0 "[ . 1 . 2]" 1
218 1 23 LEU H 1 23 LEU QD . . 3.750 2.674 1.880 3.628 . 0 0 "[ . 1 . 2]" 1
219 1 23 LEU H 1 23 LEU MD2 . . 4.630 3.531 2.633 4.041 . 0 0 "[ . 1 . 2]" 1
220 1 23 LEU H 1 23 LEU HG . . 4.840 3.086 1.927 4.265 . 0 0 "[ . 1 . 2]" 1
221 1 23 LEU HA 1 23 LEU QD . . 3.560 2.627 2.064 3.473 . 0 0 "[ . 1 . 2]" 1
222 1 23 LEU QD 1 24 LYS QE . . 4.550 3.984 2.265 5.668 1.118 12 1 "[ . 1 + . 2]" 1
223 1 24 LYS H 1 24 LYS QG . . 4.700 2.916 2.331 4.008 . 0 0 "[ . 1 . 2]" 1
224 1 24 LYS HA 1 25 SER H . . 3.540 2.252 1.973 2.390 . 0 0 "[ . 1 . 2]" 1
225 1 25 SER HA 1 66 THR MG . . 4.930 4.391 4.188 4.793 . 0 0 "[ . 1 . 2]" 1
226 1 25 SER HB2 1 26 PHE H . . 5.500 3.924 2.478 4.372 . 0 0 "[ . 1 . 2]" 1
227 1 25 SER HB2 1 66 THR HA . . 5.560 5.218 4.113 5.601 0.041 4 0 "[ . 1 . 2]" 1
228 1 25 SER HB2 1 66 THR HB . . 4.400 4.320 4.089 4.580 0.180 18 0 "[ . 1 . 2]" 1
229 1 25 SER HB2 1 68 TYR QB . . 4.950 3.832 2.079 4.378 . 0 0 "[ . 1 . 2]" 1
230 1 25 SER HB2 1 68 TYR QD . . 6.050 4.795 3.579 5.432 . 0 0 "[ . 1 . 2]" 1
231 1 25 SER HB3 1 26 PHE H . . 4.830 3.375 2.808 3.926 . 0 0 "[ . 1 . 2]" 1
232 1 25 SER HB3 1 66 THR HA . . 5.820 4.624 4.095 6.314 0.494 10 0 "[ . 1 . 2]" 1
233 1 25 SER HB3 1 66 THR MG . . 4.750 2.487 2.129 3.344 . 0 0 "[ . 1 . 2]" 1
234 1 25 SER HB3 1 67 PHE H . . 5.150 3.182 2.592 5.119 . 0 0 "[ . 1 . 2]" 1
235 1 25 SER HB3 1 68 TYR QD . . 4.150 4.063 3.634 4.613 0.463 3 0 "[ . 1 . 2]" 1
236 1 26 PHE HA 1 26 PHE QD . . 3.430 2.181 1.631 3.073 . 0 0 "[ . 1 . 2]" 1
237 1 26 PHE HA 1 27 THR H . . 3.700 2.209 2.097 2.401 . 0 0 "[ . 1 . 2]" 1
238 1 26 PHE HA 1 27 THR MG . . 4.920 3.740 3.495 4.073 . 0 0 "[ . 1 . 2]" 1
239 1 26 PHE QB 1 27 THR H . . 4.590 3.408 2.694 3.955 . 0 0 "[ . 1 . 2]" 1
240 1 26 PHE QB 1 31 LEU QD . . 4.700 2.304 1.950 2.575 . 0 0 "[ . 1 . 2]" 1
241 1 26 PHE QB 1 31 LEU HG . . 4.220 2.744 2.176 3.315 . 0 0 "[ . 1 . 2]" 1
242 1 26 PHE HB2 1 31 LEU HG . . 4.940 4.066 3.169 4.481 . 0 0 "[ . 1 . 2]" 1
243 1 26 PHE HB3 1 31 LEU HG . . 4.940 2.797 2.189 3.421 . 0 0 "[ . 1 . 2]" 1
244 1 26 PHE QD 1 27 THR H . . 4.460 2.714 1.701 4.052 . 0 0 "[ . 1 . 2]" 1
245 1 26 PHE QD 1 30 LYS QG . . 4.650 3.547 2.569 4.235 . 0 0 "[ . 1 . 2]" 1
246 1 26 PHE QD 1 31 LEU QD . . 3.990 2.589 2.151 3.121 . 0 0 "[ . 1 . 2]" 1
247 1 26 PHE QD 1 31 LEU HG . . 4.530 2.771 2.019 3.686 . 0 0 "[ . 1 . 2]" 1
248 1 26 PHE QE 1 30 LYS HE2 . . 5.040 3.701 2.961 4.591 . 0 0 "[ . 1 . 2]" 1
249 1 26 PHE QE 1 30 LYS QE . . 4.360 3.389 2.791 4.148 . 0 0 "[ . 1 . 2]" 1
250 1 26 PHE QE 1 30 LYS HE3 . . 5.040 4.185 2.888 4.850 . 0 0 "[ . 1 . 2]" 1
251 1 26 PHE QE 1 31 LEU QD . . 4.600 3.241 2.631 4.452 . 0 0 "[ . 1 . 2]" 1
252 1 26 PHE QE 1 34 ILE MD . . 4.660 2.449 1.931 2.893 . 0 0 "[ . 1 . 2]" 1
253 1 26 PHE HZ 1 30 LYS HE2 . . 5.040 3.829 2.301 5.195 0.155 14 0 "[ . 1 . 2]" 1
254 1 26 PHE HZ 1 30 LYS QE . . 4.360 3.425 2.289 4.522 0.162 14 0 "[ . 1 . 2]" 1
255 1 26 PHE HZ 1 30 LYS HE3 . . 5.040 4.088 2.970 5.231 0.191 6 0 "[ . 1 . 2]" 1
256 1 26 PHE HZ 1 30 LYS QG . . 4.880 3.214 2.183 4.595 . 0 0 "[ . 1 . 2]" 1
257 1 26 PHE HZ 1 34 ILE MD . . 3.760 2.859 1.815 4.414 0.654 10 1 "[ . + . 2]" 1
258 1 26 PHE HZ 1 34 ILE MG . . 4.160 4.083 3.781 4.601 0.441 10 0 "[ . 1 . 2]" 1
259 1 27 THR H 1 27 THR MG . . 3.760 2.396 2.126 2.696 . 0 0 "[ . 1 . 2]" 1
260 1 27 THR H 1 30 LYS QB . . 4.180 3.209 2.235 3.842 . 0 0 "[ . 1 . 2]" 1
261 1 27 THR H 1 31 LEU QD . . 4.690 4.419 4.081 4.953 0.263 3 0 "[ . 1 . 2]" 1
262 1 27 THR HA 1 28 TYR H . . 3.630 2.298 2.189 2.523 . 0 0 "[ . 1 . 2]" 1
263 1 27 THR HA 1 31 LEU QD . . 5.060 4.356 3.763 4.964 . 0 0 "[ . 1 . 2]" 1
264 1 27 THR HA 1 66 THR HA . . 4.630 3.529 2.604 4.267 . 0 0 "[ . 1 . 2]" 1
265 1 27 THR HB 1 29 THR H . . 4.420 2.818 2.261 3.342 . 0 0 "[ . 1 . 2]" 1
266 1 27 THR MG 1 28 TYR H . . 4.610 3.845 3.492 4.121 . 0 0 "[ . 1 . 2]" 1
267 1 28 TYR H 1 28 TYR QD . . 4.790 3.200 2.599 3.794 . 0 0 "[ . 1 . 2]" 1
268 1 28 TYR H 1 29 THR H . . 4.990 2.859 2.543 3.085 . 0 0 "[ . 1 . 2]" 1
269 1 28 TYR H 1 31 LEU QD . . 5.230 4.243 3.620 4.948 . 0 0 "[ . 1 . 2]" 1
270 1 28 TYR HA 1 28 TYR QD . . 3.780 2.250 1.985 2.717 . 0 0 "[ . 1 . 2]" 1
271 1 28 TYR HA 1 31 LEU QB . . 4.940 2.362 2.089 2.716 . 0 0 "[ . 1 . 2]" 1
272 1 28 TYR HA 1 42 VAL MG2 . . 5.980 3.905 3.115 5.032 . 0 0 "[ . 1 . 2]" 1
273 1 28 TYR QB 1 29 THR H . . 4.310 2.795 2.638 2.970 . 0 0 "[ . 1 . 2]" 1
274 1 28 TYR HB2 1 29 THR H . . 4.940 2.909 2.728 3.141 . 0 0 "[ . 1 . 2]" 1
275 1 28 TYR HB3 1 29 THR H . . 4.940 3.677 2.999 3.966 . 0 0 "[ . 1 . 2]" 1
276 1 28 TYR QD 1 42 VAL MG1 . . 4.050 2.528 2.106 3.111 . 0 0 "[ . 1 . 2]" 1
277 1 28 TYR QD 1 42 VAL MG2 . . 4.170 3.007 2.253 4.188 0.018 10 0 "[ . 1 . 2]" 1
278 1 28 TYR QD 1 46 ILE HG13 . . 4.550 3.566 3.107 4.003 . 0 0 "[ . 1 . 2]" 1
279 1 28 TYR QD 1 46 ILE MG . . 4.760 4.327 4.104 4.502 . 0 0 "[ . 1 . 2]" 1
280 1 28 TYR QE 1 42 VAL MG2 . . 4.420 3.444 2.570 4.535 0.115 10 0 "[ . 1 . 2]" 1
281 1 28 TYR QE 1 43 ARG HA . . 4.070 2.676 2.263 3.637 . 0 0 "[ . 1 . 2]" 1
282 1 28 TYR QE 1 43 ARG QG . . 4.860 3.278 2.267 4.470 . 0 0 "[ . 1 . 2]" 1
283 1 28 TYR QE 1 46 ILE HB . . 3.780 2.530 2.237 3.317 . 0 0 "[ . 1 . 2]" 1
284 1 28 TYR QE 1 46 ILE MD . . 4.790 3.856 3.469 4.105 . 0 0 "[ . 1 . 2]" 1
285 1 28 TYR QE 1 46 ILE HG12 . . 4.440 3.650 3.148 4.061 . 0 0 "[ . 1 . 2]" 1
286 1 28 TYR QE 1 46 ILE HG13 . . 3.880 2.376 1.946 2.634 . 0 0 "[ . 1 . 2]" 1
287 1 28 TYR QE 1 46 ILE MG . . 3.650 2.581 2.219 2.935 . 0 0 "[ . 1 . 2]" 1
288 1 28 TYR QE 1 65 LYS QD . . 4.870 3.920 2.714 5.020 0.150 19 0 "[ . 1 . 2]" 1
289 1 29 THR H 1 29 THR MG . . 4.320 3.098 2.046 3.821 . 0 0 "[ . 1 . 2]" 1
290 1 29 THR H 1 30 LYS H . . 4.930 2.861 2.607 3.000 . 0 0 "[ . 1 . 2]" 1
291 1 29 THR HA 1 29 THR MG . . 3.710 2.453 2.319 3.285 . 0 0 "[ . 1 . 2]" 1
292 1 29 THR HA 1 32 CYS H . . 4.910 3.771 3.140 4.371 . 0 0 "[ . 1 . 2]" 1
293 1 29 THR HA 1 32 CYS QB . . 4.240 3.028 2.288 3.880 . 0 0 "[ . 1 . 2]" 1
294 1 29 THR HB 1 30 LYS H . . 4.470 3.015 2.302 3.938 . 0 0 "[ . 1 . 2]" 1
295 1 29 THR MG 1 30 LYS H . . 4.720 3.560 2.134 4.095 . 0 0 "[ . 1 . 2]" 1
296 1 30 LYS H 1 30 LYS QB . . 3.620 2.239 2.167 2.348 . 0 0 "[ . 1 . 2]" 1
297 1 30 LYS H 1 31 LEU H . . 4.270 2.661 2.345 2.820 . 0 0 "[ . 1 . 2]" 1
298 1 30 LYS HA 1 30 LYS QD . . 4.200 2.633 2.087 3.972 . 0 0 "[ . 1 . 2]" 1
299 1 30 LYS QD 1 34 ILE MD . . 4.500 4.012 3.279 4.614 0.114 13 0 "[ . 1 . 2]" 1
300 1 30 LYS QE 1 34 ILE MG . . 4.170 3.002 1.893 4.022 . 0 0 "[ . 1 . 2]" 1
301 1 30 LYS QG 1 34 ILE MD . . 4.200 2.857 2.054 3.689 . 0 0 "[ . 1 . 2]" 1
302 1 30 LYS QG 1 34 ILE QG . . 4.770 3.926 2.853 4.381 . 0 0 "[ . 1 . 2]" 1
303 1 31 LEU H 1 31 LEU HB2 . . 4.060 2.285 2.068 2.483 . 0 0 "[ . 1 . 2]" 1
304 1 31 LEU H 1 31 LEU HB3 . . 4.060 3.531 3.356 3.649 . 0 0 "[ . 1 . 2]" 1
305 1 31 LEU H 1 31 LEU MD1 . . 4.840 3.658 3.378 3.957 . 0 0 "[ . 1 . 2]" 1
306 1 31 LEU H 1 31 LEU QD . . 3.970 3.356 3.145 3.610 . 0 0 "[ . 1 . 2]" 1
307 1 31 LEU H 1 31 LEU MD2 . . 4.840 3.916 3.640 4.169 . 0 0 "[ . 1 . 2]" 1
308 1 31 LEU H 1 31 LEU HG . . 4.020 2.836 2.417 3.410 . 0 0 "[ . 1 . 2]" 1
309 1 31 LEU H 1 32 CYS H . . 4.360 2.850 2.733 2.955 . 0 0 "[ . 1 . 2]" 1
310 1 31 LEU HA 1 31 LEU QD . . 3.660 2.130 1.941 2.276 . 0 0 "[ . 1 . 2]" 1
311 1 31 LEU HA 1 34 ILE MD . . 4.550 2.589 1.923 2.956 . 0 0 "[ . 1 . 2]" 1
312 1 31 LEU HA 1 34 ILE MG . . 4.320 3.960 3.474 4.446 0.126 3 0 "[ . 1 . 2]" 1
313 1 31 LEU QB 1 32 CYS H . . 4.140 2.743 2.535 3.014 . 0 0 "[ . 1 . 2]" 1
314 1 31 LEU HB2 1 32 CYS H . . 4.840 2.925 2.607 3.331 . 0 0 "[ . 1 . 2]" 1
315 1 31 LEU HB2 1 42 VAL MG2 . . 4.500 3.255 2.543 3.813 . 0 0 "[ . 1 . 2]" 1
316 1 31 LEU HB3 1 32 CYS H . . 4.840 3.426 3.131 3.637 . 0 0 "[ . 1 . 2]" 1
317 1 31 LEU HB3 1 42 VAL MG2 . . 4.500 2.289 2.060 2.778 . 0 0 "[ . 1 . 2]" 1
318 1 31 LEU QD 1 32 CYS H . . 4.570 4.212 4.125 4.311 . 0 0 "[ . 1 . 2]" 1
319 1 32 CYS H 1 32 CYS QB . . 3.740 2.227 2.111 2.484 . 0 0 "[ . 1 . 2]" 1
320 1 32 CYS H 1 33 ASN H . . 4.280 2.914 2.687 3.177 . 0 0 "[ . 1 . 2]" 1
321 1 32 CYS QB 1 33 ASN H . . 3.930 2.541 2.143 3.459 . 0 0 "[ . 1 . 2]" 1
322 1 32 CYS HB2 1 33 ASN H . . 4.510 3.605 2.491 4.118 . 0 0 "[ . 1 . 2]" 1
323 1 32 CYS HB3 1 33 ASN H . . 4.510 2.784 2.158 3.803 . 0 0 "[ . 1 . 2]" 1
324 1 33 ASN H 1 33 ASN HB2 . . 3.810 2.441 2.164 2.682 . 0 0 "[ . 1 . 2]" 1
325 1 33 ASN H 1 33 ASN QB . . 3.320 2.252 2.094 2.440 . 0 0 "[ . 1 . 2]" 1
326 1 33 ASN H 1 33 ASN HB3 . . 3.810 2.836 2.337 3.585 . 0 0 "[ . 1 . 2]" 1
327 1 34 ILE H 1 34 ILE HB . . 4.060 3.604 2.555 3.770 . 0 0 "[ . 1 . 2]" 1
328 1 34 ILE H 1 34 ILE MD . . 4.060 3.638 3.380 3.857 . 0 0 "[ . 1 . 2]" 1
329 1 34 ILE H 1 34 ILE QG . . 3.770 2.194 1.792 2.396 . 0 0 "[ . 1 . 2]" 1
330 1 34 ILE H 1 34 ILE MG . . 3.830 2.339 1.995 3.703 . 0 0 "[ . 1 . 2]" 1
331 1 34 ILE H 1 35 SER H . . 4.110 2.663 2.025 2.948 . 0 0 "[ . 1 . 2]" 1
332 1 34 ILE H 1 36 LYS H . . 5.600 4.265 3.921 4.739 . 0 0 "[ . 1 . 2]" 1
333 1 34 ILE HA 1 34 ILE MD . . 4.630 4.188 3.947 4.227 . 0 0 "[ . 1 . 2]" 1
334 1 34 ILE HB 1 35 SER H . . 4.810 3.970 2.537 4.262 . 0 0 "[ . 1 . 2]" 1
335 1 34 ILE MD 1 35 SER H . . 4.920 4.179 3.729 4.507 . 0 0 "[ . 1 . 2]" 1
336 1 34 ILE MG 1 35 SER H . . 4.520 4.039 3.514 4.230 . 0 0 "[ . 1 . 2]" 1
337 1 35 SER H 1 36 LYS H . . 4.050 2.659 2.326 2.951 . 0 0 "[ . 1 . 2]" 1
338 1 35 SER HA 1 37 LEU QD . . 4.920 4.006 3.685 4.277 . 0 0 "[ . 1 . 2]" 1
339 1 35 SER QB 1 37 LEU H . . 5.020 3.215 2.471 3.826 . 0 0 "[ . 1 . 2]" 1
340 1 35 SER QB 1 37 LEU QD . . 4.100 2.402 1.924 2.923 . 0 0 "[ . 1 . 2]" 1
341 1 35 SER QB 1 37 LEU HG . . 4.050 2.292 2.013 2.736 . 0 0 "[ . 1 . 2]" 1
342 1 35 SER HB2 1 37 LEU HG . . 4.620 3.138 2.065 4.382 . 0 0 "[ . 1 . 2]" 1
343 1 35 SER HB3 1 37 LEU HG . . 4.620 2.545 2.150 3.815 . 0 0 "[ . 1 . 2]" 1
344 1 36 LYS H 1 36 LYS HG2 . . 4.830 3.807 2.602 4.793 . 0 0 "[ . 1 . 2]" 1
345 1 36 LYS H 1 36 LYS HG3 . . 4.830 3.323 2.701 4.246 . 0 0 "[ . 1 . 2]" 1
346 1 36 LYS H 1 37 LEU H . . 4.370 2.879 2.650 3.032 . 0 0 "[ . 1 . 2]" 1
347 1 36 LYS QB 1 37 LEU HB3 . . 4.970 4.218 4.035 4.443 . 0 0 "[ . 1 . 2]" 1
348 1 36 LYS QB 1 37 LEU QD . . 4.570 4.244 3.864 4.548 . 0 0 "[ . 1 . 2]" 1
349 1 37 LEU H 1 37 LEU HB2 . . 4.050 3.866 3.824 3.912 . 0 0 "[ . 1 . 2]" 1
350 1 37 LEU H 1 37 LEU MD1 . . 4.470 3.281 2.770 3.671 . 0 0 "[ . 1 . 2]" 1
351 1 37 LEU H 1 37 LEU QD . . 3.840 3.112 2.728 3.302 . 0 0 "[ . 1 . 2]" 1
352 1 37 LEU H 1 37 LEU MD2 . . 4.470 3.935 3.744 4.088 . 0 0 "[ . 1 . 2]" 1
353 1 37 LEU H 1 37 LEU HG . . 4.110 2.417 2.252 2.546 . 0 0 "[ . 1 . 2]" 1
354 1 37 LEU HA 1 37 LEU MD1 . . 4.610 3.721 3.562 3.829 . 0 0 "[ . 1 . 2]" 1
355 1 37 LEU HA 1 37 LEU QD . . 4.020 3.449 3.359 3.511 . 0 0 "[ . 1 . 2]" 1
356 1 37 LEU HA 1 37 LEU MD2 . . 4.610 4.082 4.027 4.112 . 0 0 "[ . 1 . 2]" 1
357 1 37 LEU HA 1 38 SER H . . 3.750 2.356 2.164 2.546 . 0 0 "[ . 1 . 2]" 1
358 1 37 LEU HB2 1 38 SER H . . 4.640 2.571 2.152 3.109 . 0 0 "[ . 1 . 2]" 1
359 1 37 LEU HB3 1 38 SER H . . 5.130 3.802 3.549 4.129 . 0 0 "[ . 1 . 2]" 1
360 1 37 LEU HB3 1 41 THR HB . . 4.860 4.522 4.014 4.661 . 0 0 "[ . 1 . 2]" 1
361 1 37 LEU QD 1 38 SER H . . 4.060 3.254 2.753 3.654 . 0 0 "[ . 1 . 2]" 1
362 1 37 LEU QD 1 42 VAL HB . . 3.650 2.030 1.860 2.441 . 0 0 "[ . 1 . 2]" 1
363 1 37 LEU QD 1 42 VAL MG2 . . 3.890 2.961 1.889 3.569 . 0 0 "[ . 1 . 2]" 1
364 1 37 LEU MD1 1 38 SER H . . 5.640 3.326 2.791 3.737 . 0 0 "[ . 1 . 2]" 1
365 1 37 LEU MD1 1 41 THR MG . . 3.500 2.423 1.988 3.199 . 0 0 "[ . 1 . 2]" 1
366 1 37 LEU MD1 1 42 VAL HB . . 4.350 2.038 1.865 2.494 . 0 0 "[ . 1 . 2]" 1
367 1 37 LEU MD2 1 38 SER H . . 5.640 4.641 4.211 5.156 . 0 0 "[ . 1 . 2]" 1
368 1 37 LEU MD2 1 41 THR MG . . 3.500 2.453 1.833 3.207 . 0 0 "[ . 1 . 2]" 1
369 1 37 LEU MD2 1 42 VAL HB . . 4.350 3.975 3.468 4.577 0.227 10 0 "[ . 1 . 2]" 1
370 1 38 SER H 1 38 SER QB . . 3.840 2.419 2.152 2.614 . 0 0 "[ . 1 . 2]" 1
371 1 39 MET HA 1 42 VAL H . . 4.980 3.366 2.853 3.638 . 0 0 "[ . 1 . 2]" 1
372 1 39 MET HA 1 42 VAL HB . . 4.420 3.922 2.637 4.359 . 0 0 "[ . 1 . 2]" 1
373 1 39 MET QG 1 40 SER H . . 3.810 2.861 2.371 3.583 . 0 0 "[ . 1 . 2]" 1
374 1 40 SER H 1 41 THR H . . 5.140 2.767 2.551 2.998 . 0 0 "[ . 1 . 2]" 1
375 1 40 SER HA 1 43 ARG H . . 5.590 3.753 3.442 4.259 . 0 0 "[ . 1 . 2]" 1
376 1 41 THR H 1 41 THR HB . . 3.940 2.592 2.392 2.762 . 0 0 "[ . 1 . 2]" 1
377 1 41 THR H 1 41 THR MG . . 4.660 3.787 3.737 3.849 . 0 0 "[ . 1 . 2]" 1
378 1 41 THR H 1 42 VAL H . . 4.380 2.772 2.435 3.047 . 0 0 "[ . 1 . 2]" 1
379 1 41 THR HA 1 41 THR MG . . 3.520 2.382 2.318 2.554 . 0 0 "[ . 1 . 2]" 1
380 1 41 THR HB 1 42 VAL H . . 4.180 2.690 2.458 3.038 . 0 0 "[ . 1 . 2]" 1
381 1 41 THR HB 1 42 VAL HB . . 4.620 4.257 4.033 4.519 . 0 0 "[ . 1 . 2]" 1
382 1 41 THR MG 1 42 VAL H . . 4.680 3.578 3.239 3.786 . 0 0 "[ . 1 . 2]" 1
383 1 42 VAL H 1 42 VAL HB . . 3.770 2.517 2.156 2.808 . 0 0 "[ . 1 . 2]" 1
384 1 42 VAL H 1 42 VAL MG1 . . 3.700 2.325 2.102 3.276 . 0 0 "[ . 1 . 2]" 1
385 1 42 VAL H 1 42 VAL MG2 . . 4.510 3.802 3.433 3.856 . 0 0 "[ . 1 . 2]" 1
386 1 42 VAL H 1 43 ARG H . . 4.380 2.723 2.554 2.834 . 0 0 "[ . 1 . 2]" 1
387 1 42 VAL HA 1 42 VAL MG1 . . 3.530 3.241 3.060 3.268 . 0 0 "[ . 1 . 2]" 1
388 1 42 VAL HB 1 43 ARG H . . 4.300 4.015 3.676 4.170 . 0 0 "[ . 1 . 2]" 1
389 1 42 VAL MG1 1 43 ARG H . . 4.880 2.339 2.145 2.741 . 0 0 "[ . 1 . 2]" 1
390 1 42 VAL MG2 1 43 ARG H . . 4.660 3.869 3.660 4.393 . 0 0 "[ . 1 . 2]" 1
391 1 42 VAL MG2 1 46 ILE HB . . 4.880 3.942 3.187 4.881 0.001 10 0 "[ . 1 . 2]" 1
392 1 42 VAL MG2 1 46 ILE MD . . 4.540 3.501 2.702 4.009 . 0 0 "[ . 1 . 2]" 1
393 1 42 VAL MG2 1 46 ILE HG12 . . 4.330 2.823 2.324 3.456 . 0 0 "[ . 1 . 2]" 1
394 1 43 ARG H 1 43 ARG HB2 . . 4.320 2.422 2.067 3.711 . 0 0 "[ . 1 . 2]" 1
395 1 43 ARG H 1 43 ARG QB . . 3.670 2.222 2.022 2.653 . 0 0 "[ . 1 . 2]" 1
396 1 43 ARG H 1 43 ARG HB3 . . 4.320 3.008 2.165 3.650 . 0 0 "[ . 1 . 2]" 1
397 1 43 ARG H 1 43 ARG QD . . 5.010 4.144 3.454 4.592 . 0 0 "[ . 1 . 2]" 1
398 1 43 ARG H 1 43 ARG HG2 . . 4.910 3.808 2.099 4.567 . 0 0 "[ . 1 . 2]" 1
399 1 43 ARG H 1 43 ARG QG . . 4.000 3.163 2.077 3.866 . 0 0 "[ . 1 . 2]" 1
400 1 43 ARG H 1 43 ARG HG3 . . 4.910 3.598 2.517 4.467 . 0 0 "[ . 1 . 2]" 1
401 1 43 ARG H 1 44 ARG H . . 4.300 2.838 2.647 3.072 . 0 0 "[ . 1 . 2]" 1
402 1 43 ARG HA 1 43 ARG QG . . 3.930 2.488 2.148 3.357 . 0 0 "[ . 1 . 2]" 1
403 1 43 ARG HA 1 46 ILE H . . 4.870 3.814 3.321 4.263 . 0 0 "[ . 1 . 2]" 1
404 1 43 ARG HA 1 46 ILE HB . . 4.520 2.878 2.384 3.390 . 0 0 "[ . 1 . 2]" 1
405 1 43 ARG HA 1 46 ILE MG . . 4.910 3.913 3.424 4.421 . 0 0 "[ . 1 . 2]" 1
406 1 43 ARG QB 1 44 ARG H . . 4.590 2.724 2.343 3.630 . 0 0 "[ . 1 . 2]" 1
407 1 44 ARG H 1 44 ARG HB2 . . 4.110 2.591 2.113 3.684 . 0 0 "[ . 1 . 2]" 1
408 1 44 ARG H 1 44 ARG QB . . 3.490 2.347 1.971 2.698 . 0 0 "[ . 1 . 2]" 1
409 1 44 ARG H 1 44 ARG HB3 . . 4.110 3.249 2.004 3.702 . 0 0 "[ . 1 . 2]" 1
410 1 44 ARG H 1 44 ARG HG2 . . 4.680 3.301 2.294 4.369 . 0 0 "[ . 1 . 2]" 1
411 1 44 ARG H 1 44 ARG QG . . 3.890 2.660 1.961 3.794 . 0 0 "[ . 1 . 2]" 1
412 1 44 ARG H 1 44 ARG HG3 . . 4.680 3.187 2.006 4.397 . 0 0 "[ . 1 . 2]" 1
413 1 44 ARG H 1 45 SER H . . 4.250 2.818 2.484 2.993 . 0 0 "[ . 1 . 2]" 1
414 1 44 ARG HA 1 44 ARG QD . . 4.830 3.579 2.092 4.443 . 0 0 "[ . 1 . 2]" 1
415 1 44 ARG HA 1 44 ARG QG . . 3.800 2.658 2.147 3.382 . 0 0 "[ . 1 . 2]" 1
416 1 44 ARG QB 1 45 SER H . . 4.360 2.671 2.188 3.645 . 0 0 "[ . 1 . 2]" 1
417 1 45 SER H 1 46 ILE H . . 4.320 2.869 2.372 3.073 . 0 0 "[ . 1 . 2]" 1
418 1 45 SER HA 1 48 LYS H . . 4.960 3.486 3.236 3.670 . 0 0 "[ . 1 . 2]" 1
419 1 45 SER HA 1 48 LYS HB3 . . 4.760 4.176 3.837 4.367 . 0 0 "[ . 1 . 2]" 1
420 1 45 SER HA 1 48 LYS QD . . 4.900 3.320 2.488 4.538 . 0 0 "[ . 1 . 2]" 1
421 1 45 SER HA 1 49 PHE H . . 4.540 4.110 3.994 4.400 . 0 0 "[ . 1 . 2]" 1
422 1 45 SER QB 1 46 ILE H . . 4.150 2.904 2.389 3.421 . 0 0 "[ . 1 . 2]" 1
423 1 45 SER QB 1 49 PHE QE . . 4.790 2.924 2.209 4.051 . 0 0 "[ . 1 . 2]" 1
424 1 45 SER HB2 1 46 ILE H . . 4.880 3.177 2.421 3.916 . 0 0 "[ . 1 . 2]" 1
425 1 45 SER HB3 1 46 ILE H . . 4.880 3.729 2.444 4.110 . 0 0 "[ . 1 . 2]" 1
426 1 46 ILE H 1 46 ILE HB . . 3.650 2.354 2.197 2.591 . 0 0 "[ . 1 . 2]" 1
427 1 46 ILE H 1 46 ILE MD . . 5.020 3.684 3.125 4.030 . 0 0 "[ . 1 . 2]" 1
428 1 46 ILE H 1 46 ILE HG12 . . 4.050 2.409 1.980 2.742 . 0 0 "[ . 1 . 2]" 1
429 1 46 ILE H 1 46 ILE HG13 . . 4.220 3.611 3.294 3.749 . 0 0 "[ . 1 . 2]" 1
430 1 46 ILE H 1 46 ILE MG . . 4.440 3.771 3.684 3.863 . 0 0 "[ . 1 . 2]" 1
431 1 46 ILE H 1 47 LYS H . . 4.240 2.907 2.734 3.098 . 0 0 "[ . 1 . 2]" 1
432 1 46 ILE H 1 48 LYS H . . 5.140 4.482 4.335 4.678 . 0 0 "[ . 1 . 2]" 1
433 1 46 ILE HA 1 46 ILE MD . . 3.690 2.208 2.018 2.433 . 0 0 "[ . 1 . 2]" 1
434 1 46 ILE HA 1 46 ILE HG13 . . 4.110 3.707 3.665 3.786 . 0 0 "[ . 1 . 2]" 1
435 1 46 ILE HA 1 49 PHE H . . 4.750 3.241 3.047 3.525 . 0 0 "[ . 1 . 2]" 1
436 1 46 ILE HA 1 49 PHE QB . . 4.690 2.417 2.123 2.686 . 0 0 "[ . 1 . 2]" 1
437 1 46 ILE HA 1 49 PHE QD . . 4.300 2.558 2.167 3.813 . 0 0 "[ . 1 . 2]" 1
438 1 46 ILE HA 1 50 LEU H . . 5.380 4.494 4.144 4.740 . 0 0 "[ . 1 . 2]" 1
439 1 46 ILE HA 1 55 VAL QG . . 4.930 2.763 2.429 3.396 . 0 0 "[ . 1 . 2]" 1
440 1 46 ILE HB 1 47 LYS H . . 3.890 2.964 2.828 3.137 . 0 0 "[ . 1 . 2]" 1
441 1 46 ILE MD 1 46 ILE MG . . 3.480 2.111 2.003 2.257 . 0 0 "[ . 1 . 2]" 1
442 1 46 ILE MD 1 49 PHE QB . . 4.960 3.224 2.875 3.607 . 0 0 "[ . 1 . 2]" 1
443 1 46 ILE MD 1 49 PHE QD . . 4.370 2.540 2.046 3.463 . 0 0 "[ . 1 . 2]" 1
444 1 46 ILE MD 1 50 LEU QD . . 4.390 4.543 4.130 5.194 0.804 16 3 "[ . * 1 .+ -2]" 1
445 1 46 ILE MD 1 55 VAL QG . . 3.760 2.066 1.757 2.515 . 0 0 "[ . 1 . 2]" 1
446 1 46 ILE MD 1 67 PHE HB2 . . 5.140 3.256 2.548 4.196 . 0 0 "[ . 1 . 2]" 1
447 1 46 ILE MD 1 67 PHE HB3 . . 4.940 3.339 2.677 4.163 . 0 0 "[ . 1 . 2]" 1
448 1 46 ILE MD 1 67 PHE QD . . 4.270 4.068 3.297 4.764 0.494 7 0 "[ . 1 . 2]" 1
449 1 46 ILE HG12 1 55 VAL MG1 . . 4.620 4.636 4.109 5.184 0.564 7 2 "[ . + 1 . -2]" 1
450 1 46 ILE HG12 1 55 VAL QG . . 3.920 4.051 3.677 4.522 0.602 11 4 "[ . * 1+ .*- 2]" 1
451 1 46 ILE HG12 1 55 VAL MG2 . . 4.620 4.477 4.048 5.100 0.480 11 0 "[ . 1 . 2]" 1
452 1 46 ILE HG13 1 46 ILE MG . . 3.440 2.403 2.243 2.522 . 0 0 "[ . 1 . 2]" 1
453 1 46 ILE HG13 1 67 PHE HB2 . . 4.640 4.385 4.150 4.798 0.158 16 0 "[ . 1 . 2]" 1
454 1 46 ILE MG 1 47 LYS H . . 4.630 3.340 3.056 3.733 . 0 0 "[ . 1 . 2]" 1
455 1 46 ILE MG 1 47 LYS HA . . 4.720 3.417 3.127 3.845 . 0 0 "[ . 1 . 2]" 1
456 1 46 ILE MG 1 50 LEU H . . 5.190 4.475 4.091 4.753 . 0 0 "[ . 1 . 2]" 1
457 1 46 ILE MG 1 50 LEU QD . . 4.140 3.086 2.843 3.518 . 0 0 "[ . 1 . 2]" 1
458 1 46 ILE MG 1 50 LEU HG . . 4.270 3.487 2.962 3.903 . 0 0 "[ . 1 . 2]" 1
459 1 46 ILE MG 1 55 VAL MG1 . . 4.390 3.191 2.089 3.978 . 0 0 "[ . 1 . 2]" 1
460 1 46 ILE MG 1 55 VAL QG . . 3.710 2.254 2.016 2.610 . 0 0 "[ . 1 . 2]" 1
461 1 46 ILE MG 1 55 VAL MG2 . . 4.390 2.747 2.030 4.031 . 0 0 "[ . 1 . 2]" 1
462 1 46 ILE MG 1 67 PHE QD . . 4.150 2.714 2.165 3.047 . 0 0 "[ . 1 . 2]" 1
463 1 46 ILE MG 1 67 PHE QE . . 4.640 3.171 2.624 3.753 . 0 0 "[ . 1 . 2]" 1
464 1 47 LYS H 1 47 LYS QB . . 3.370 2.251 2.165 2.331 . 0 0 "[ . 1 . 2]" 1
465 1 47 LYS H 1 48 LYS H . . 4.190 2.669 2.553 2.859 . 0 0 "[ . 1 . 2]" 1
466 1 47 LYS H 1 48 LYS HB2 . . 4.870 4.529 4.473 4.570 . 0 0 "[ . 1 . 2]" 1
467 1 47 LYS HA 1 47 LYS QG . . 3.920 2.587 2.249 3.160 . 0 0 "[ . 1 . 2]" 1
468 1 47 LYS HA 1 50 LEU H . . 4.740 3.486 3.157 3.903 . 0 0 "[ . 1 . 2]" 1
469 1 47 LYS HA 1 50 LEU QB . . 5.150 3.583 3.268 4.022 . 0 0 "[ . 1 . 2]" 1
470 1 47 LYS HA 1 50 LEU QD . . 3.720 2.531 2.197 2.852 . 0 0 "[ . 1 . 2]" 1
471 1 47 LYS HA 1 50 LEU HG . . 4.480 2.625 2.171 3.595 . 0 0 "[ . 1 . 2]" 1
472 1 47 LYS QB 1 48 LYS H . . 3.870 2.646 2.484 2.852 . 0 0 "[ . 1 . 2]" 1
473 1 48 LYS H 1 48 LYS HB2 . . 3.830 2.238 2.048 2.354 . 0 0 "[ . 1 . 2]" 1
474 1 48 LYS H 1 48 LYS HB3 . . 3.880 3.528 3.345 3.579 . 0 0 "[ . 1 . 2]" 1
475 1 48 LYS H 1 48 LYS QG . . 3.490 2.600 2.258 3.257 . 0 0 "[ . 1 . 2]" 1
476 1 48 LYS H 1 49 PHE H . . 3.950 2.770 2.551 2.883 . 0 0 "[ . 1 . 2]" 1
477 1 48 LYS HA 1 48 LYS QG . . 3.650 2.274 2.152 2.397 . 0 0 "[ . 1 . 2]" 1
478 1 48 LYS HB2 1 48 LYS QE . . 4.660 3.519 2.436 4.246 . 0 0 "[ . 1 . 2]" 1
479 1 48 LYS HB3 1 48 LYS QE . . 4.480 3.135 1.996 4.171 . 0 0 "[ . 1 . 2]" 1
480 1 48 LYS HB3 1 49 PHE H . . 4.030 3.520 2.947 3.738 . 0 0 "[ . 1 . 2]" 1
481 1 49 PHE H 1 49 PHE QB . . 3.830 2.430 2.219 2.532 . 0 0 "[ . 1 . 2]" 1
482 1 49 PHE H 1 49 PHE QD . . 4.530 3.149 2.664 3.420 . 0 0 "[ . 1 . 2]" 1
483 1 49 PHE H 1 50 LEU H . . 4.100 2.828 2.550 2.957 . 0 0 "[ . 1 . 2]" 1
484 1 49 PHE HA 1 49 PHE QD . . 3.490 2.106 1.888 2.364 . 0 0 "[ . 1 . 2]" 1
485 1 49 PHE HA 1 54 TYR QD . . 4.640 3.918 3.417 4.241 . 0 0 "[ . 1 . 2]" 1
486 1 49 PHE QB 1 50 LEU H . . 4.540 3.169 2.732 3.389 . 0 0 "[ . 1 . 2]" 1
487 1 49 PHE QB 1 50 LEU QD . . 4.680 4.073 3.513 4.521 . 0 0 "[ . 1 . 2]" 1
488 1 49 PHE QB 1 54 TYR HB2 . . 4.630 2.554 2.187 3.152 . 0 0 "[ . 1 . 2]" 1
489 1 49 PHE QB 1 55 VAL QG . . 3.410 1.899 1.659 2.630 . 0 0 "[ . 1 . 2]" 1
490 1 49 PHE HB2 1 50 LEU H . . 5.280 3.308 2.831 3.560 . 0 0 "[ . 1 . 2]" 1
491 1 49 PHE HB2 1 55 VAL MG1 . . 4.710 3.136 2.601 3.922 . 0 0 "[ . 1 . 2]" 1
492 1 49 PHE HB2 1 55 VAL MG2 . . 4.710 2.239 1.928 3.343 . 0 0 "[ . 1 . 2]" 1
493 1 49 PHE HB3 1 50 LEU H . . 5.280 4.065 3.590 4.253 . 0 0 "[ . 1 . 2]" 1
494 1 49 PHE HB3 1 55 VAL MG1 . . 4.710 3.030 2.000 4.265 . 0 0 "[ . 1 . 2]" 1
495 1 49 PHE HB3 1 55 VAL MG2 . . 4.710 2.300 2.022 2.855 . 0 0 "[ . 1 . 2]" 1
496 1 49 PHE QD 1 52 LEU QB . . 4.750 2.927 2.274 4.013 . 0 0 "[ . 1 . 2]" 1
497 1 49 PHE QD 1 52 LEU QD . . 3.840 2.203 1.891 2.806 . 0 0 "[ . 1 . 2]" 1
498 1 49 PHE QD 1 52 LEU HG . . 4.950 3.312 2.605 4.534 . 0 0 "[ . 1 . 2]" 1
499 1 49 PHE QD 1 54 TYR HB2 . . 4.820 3.765 3.003 4.162 . 0 0 "[ . 1 . 2]" 1
500 1 49 PHE QD 1 54 TYR QD . . 3.950 3.120 2.158 3.820 . 0 0 "[ . 1 . 2]" 1
501 1 49 PHE QD 1 55 VAL MG1 . . 4.420 3.344 2.034 4.264 . 0 0 "[ . 1 . 2]" 1
502 1 49 PHE QD 1 55 VAL QG . . 3.860 2.617 1.973 3.236 . 0 0 "[ . 1 . 2]" 1
503 1 49 PHE QD 1 55 VAL MG2 . . 4.420 2.971 2.163 3.865 . 0 0 "[ . 1 . 2]" 1
504 1 49 PHE QE 1 54 TYR QD . . 4.650 3.937 2.912 4.389 . 0 0 "[ . 1 . 2]" 1
505 1 49 PHE HZ 1 52 LEU QD . . 5.390 4.593 4.044 5.200 . 0 0 "[ . 1 . 2]" 1
506 1 50 LEU H 1 50 LEU HB2 . . 4.260 2.546 2.369 2.659 . 0 0 "[ . 1 . 2]" 1
507 1 50 LEU H 1 50 LEU QB . . 3.540 2.498 2.337 2.596 . 0 0 "[ . 1 . 2]" 1
508 1 50 LEU H 1 50 LEU HB3 . . 4.260 3.625 3.587 3.673 . 0 0 "[ . 1 . 2]" 1
509 1 50 LEU H 1 50 LEU MD1 . . 5.050 3.651 3.323 3.890 . 0 0 "[ . 1 . 2]" 1
510 1 50 LEU H 1 50 LEU QD . . 4.240 3.072 2.878 3.217 . 0 0 "[ . 1 . 2]" 1
511 1 50 LEU H 1 50 LEU MD2 . . 5.050 3.345 2.995 3.804 . 0 0 "[ . 1 . 2]" 1
512 1 50 LEU H 1 50 LEU HG . . 3.920 2.322 2.127 2.491 . 0 0 "[ . 1 . 2]" 1
513 1 50 LEU H 1 51 GLU H . . 3.980 2.667 2.495 2.851 . 0 0 "[ . 1 . 2]" 1
514 1 50 LEU H 1 55 VAL QG . . 4.870 3.454 2.831 4.709 . 0 0 "[ . 1 . 2]" 1
515 1 50 LEU HA 1 50 LEU MD1 . . 4.130 3.839 3.782 3.868 . 0 0 "[ . 1 . 2]" 1
516 1 50 LEU HA 1 50 LEU QD . . 3.250 2.176 2.110 2.246 . 0 0 "[ . 1 . 2]" 1
517 1 50 LEU HA 1 50 LEU MD2 . . 4.130 2.189 2.120 2.262 . 0 0 "[ . 1 . 2]" 1
518 1 50 LEU HA 1 50 LEU HG . . 4.260 3.190 2.791 3.399 . 0 0 "[ . 1 . 2]" 1
519 1 50 LEU HA 1 53 GLN H . . 4.820 3.656 3.267 3.986 . 0 0 "[ . 1 . 2]" 1
520 1 50 LEU QB 1 51 GLU H . . 3.800 2.552 2.354 2.685 . 0 0 "[ . 1 . 2]" 1
521 1 50 LEU QB 1 51 GLU HA . . 4.270 3.929 3.835 3.986 . 0 0 "[ . 1 . 2]" 1
522 1 50 LEU QB 1 51 GLU QG . . 4.040 3.225 2.804 3.783 . 0 0 "[ . 1 . 2]" 1
523 1 50 LEU HB2 1 51 GLU H . . 4.370 2.604 2.394 2.749 . 0 0 "[ . 1 . 2]" 1
524 1 50 LEU HB3 1 51 GLU H . . 4.370 3.666 3.461 3.826 . 0 0 "[ . 1 . 2]" 1
525 1 50 LEU QD 1 55 VAL QG . . 3.430 2.297 2.069 2.878 . 0 0 "[ . 1 . 2]" 1
526 1 50 LEU QD 1 56 LYS HA . . 4.220 2.280 1.953 3.017 . 0 0 "[ . 1 . 2]" 1
527 1 50 LEU QD 1 57 GLU H . . 5.020 2.992 2.176 3.866 . 0 0 "[ . 1 . 2]" 1
528 1 50 LEU QD 1 57 GLU QG . . 4.190 3.069 2.252 3.644 . 0 0 "[ . 1 . 2]" 1
529 1 50 LEU QD 1 67 PHE QD . . 3.540 2.464 2.127 2.748 . 0 0 "[ . 1 . 2]" 1
530 1 50 LEU MD1 1 57 GLU HB3 . . 4.580 3.669 2.795 4.163 . 0 0 "[ . 1 . 2]" 1
531 1 50 LEU MD1 1 67 PHE QD . . 4.260 3.806 3.355 3.926 . 0 0 "[ . 1 . 2]" 1
532 1 50 LEU MD2 1 57 GLU HB3 . . 4.580 3.107 2.385 4.076 . 0 0 "[ . 1 . 2]" 1
533 1 50 LEU MD2 1 67 PHE QD . . 4.260 2.498 2.146 2.808 . 0 0 "[ . 1 . 2]" 1
534 1 50 LEU HG 1 51 GLU H . . 4.980 4.346 4.097 4.551 . 0 0 "[ . 1 . 2]" 1
535 1 51 GLU H 1 51 GLU QB . . 3.850 2.526 2.332 2.814 . 0 0 "[ . 1 . 2]" 1
536 1 51 GLU H 1 51 GLU QG . . 4.180 2.223 1.913 2.756 . 0 0 "[ . 1 . 2]" 1
537 1 51 GLU HA 1 51 GLU QG . . 3.590 2.725 2.244 3.340 . 0 0 "[ . 1 . 2]" 1
538 1 51 GLU QB 1 52 LEU H . . 3.890 2.870 2.469 3.594 . 0 0 "[ . 1 . 2]" 1
539 1 51 GLU HB2 1 52 LEU H . . 4.540 2.978 2.526 3.924 . 0 0 "[ . 1 . 2]" 1
540 1 51 GLU HB3 1 52 LEU H . . 4.540 3.872 3.480 4.197 . 0 0 "[ . 1 . 2]" 1
541 1 52 LEU H 1 52 LEU HB2 . . 4.400 2.549 2.142 2.728 . 0 0 "[ . 1 . 2]" 1
542 1 52 LEU H 1 52 LEU QB . . 3.760 2.497 2.122 2.661 . 0 0 "[ . 1 . 2]" 1
543 1 52 LEU H 1 52 LEU HB3 . . 4.400 3.598 3.315 3.704 . 0 0 "[ . 1 . 2]" 1
544 1 52 LEU H 1 52 LEU MD1 . . 4.610 3.630 2.329 4.031 . 0 0 "[ . 1 . 2]" 1
545 1 52 LEU H 1 52 LEU QD . . 3.990 2.823 2.318 3.107 . 0 0 "[ . 1 . 2]" 1
546 1 52 LEU H 1 52 LEU MD2 . . 4.610 3.220 2.894 4.202 . 0 0 "[ . 1 . 2]" 1
547 1 52 LEU HA 1 52 LEU MD1 . . 4.020 3.504 2.342 3.795 . 0 0 "[ . 1 . 2]" 1
548 1 52 LEU HA 1 52 LEU QD . . 3.220 2.227 1.841 2.948 . 0 0 "[ . 1 . 2]" 1
549 1 52 LEU HA 1 52 LEU MD2 . . 4.020 2.450 1.847 3.752 . 0 0 "[ . 1 . 2]" 1
550 1 52 LEU QB 1 52 LEU QD . . 2.900 1.980 1.908 2.008 . 0 0 "[ . 1 . 2]" 1
551 1 52 LEU QB 1 53 GLN H . . 4.680 3.343 2.781 3.617 . 0 0 "[ . 1 . 2]" 1
552 1 52 LEU QB 1 53 GLN QG . . 4.910 4.556 4.491 4.774 . 0 0 "[ . 1 . 2]" 1
553 1 52 LEU QB 1 54 TYR QD . . 4.680 2.691 2.423 2.884 . 0 0 "[ . 1 . 2]" 1
554 1 52 LEU HB2 1 54 TYR QE . . 4.830 3.911 3.521 4.400 . 0 0 "[ . 1 . 2]" 1
555 1 52 LEU HB3 1 54 TYR QE . . 4.830 2.952 2.557 3.216 . 0 0 "[ . 1 . 2]" 1
556 1 52 LEU QD 1 54 TYR H . . 5.980 4.315 3.751 4.695 . 0 0 "[ . 1 . 2]" 1
557 1 52 LEU QD 1 54 TYR HB2 . . 4.870 4.087 3.440 4.882 0.012 8 0 "[ . 1 . 2]" 1
558 1 52 LEU QD 1 54 TYR QD . . 4.240 2.556 1.979 3.089 . 0 0 "[ . 1 . 2]" 1
559 1 52 LEU QD 1 54 TYR QE . . 3.720 2.197 1.905 2.384 . 0 0 "[ . 1 . 2]" 1
560 1 52 LEU HG 1 54 TYR QD . . 4.960 4.527 4.245 4.869 . 0 0 "[ . 1 . 2]" 1
561 1 53 GLN H 1 54 TYR H . . 4.140 2.773 2.471 3.332 . 0 0 "[ . 1 . 2]" 1
562 1 53 GLN HA 1 53 GLN QG . . 3.810 2.608 2.334 3.134 . 0 0 "[ . 1 . 2]" 1
563 1 53 GLN QB 1 72 ASN QB . . 4.810 3.204 2.047 4.162 . 0 0 "[ . 1 . 2]" 1
564 1 53 GLN QB 1 72 ASN QD . . 5.040 3.459 1.963 4.906 . 0 0 "[ . 1 . 2]" 1
565 1 54 TYR H 1 54 TYR HB2 . . 4.360 2.516 2.366 2.634 . 0 0 "[ . 1 . 2]" 1
566 1 54 TYR H 1 54 TYR QD . . 4.820 3.162 2.985 3.467 . 0 0 "[ . 1 . 2]" 1
567 1 54 TYR H 1 55 VAL H . . 3.640 2.586 2.217 3.030 . 0 0 "[ . 1 . 2]" 1
568 1 54 TYR HA 1 54 TYR QD . . 3.660 2.135 2.054 2.284 . 0 0 "[ . 1 . 2]" 1
569 1 54 TYR HA 1 54 TYR QE . . 4.840 4.448 4.255 4.493 . 0 0 "[ . 1 . 2]" 1
570 1 54 TYR HB2 1 55 VAL H . . 4.790 2.998 2.657 3.243 . 0 0 "[ . 1 . 2]" 1
571 1 54 TYR HB3 1 73 GLY HA2 . . 4.940 3.632 2.936 4.146 . 0 0 "[ . 1 . 2]" 1
572 1 54 TYR QD 1 55 VAL QG . . 4.720 4.293 3.902 4.685 . 0 0 "[ . 1 . 2]" 1
573 1 54 TYR QD 1 72 ASN QB . . 4.060 3.222 2.576 3.715 . 0 0 "[ . 1 . 2]" 1
574 1 54 TYR QD 1 73 GLY HA2 . . 4.970 2.561 2.294 3.124 . 0 0 "[ . 1 . 2]" 1
575 1 54 TYR QD 1 73 GLY HA3 . . 4.600 3.135 2.545 3.956 . 0 0 "[ . 1 . 2]" 1
576 1 54 TYR QE 1 72 ASN QB . . 4.490 3.814 3.171 4.138 . 0 0 "[ . 1 . 2]" 1
577 1 54 TYR QE 1 76 LYS QE . . 4.940 3.207 2.129 4.341 . 0 0 "[ . 1 . 2]" 1
578 1 54 TYR QE 1 76 LYS HG2 . . 4.820 3.606 3.042 4.523 . 0 0 "[ . 1 . 2]" 1
579 1 54 TYR QE 1 76 LYS QG . . 4.160 2.889 2.550 3.522 . 0 0 "[ . 1 . 2]" 1
580 1 54 TYR QE 1 76 LYS HG3 . . 4.820 3.085 2.662 3.687 . 0 0 "[ . 1 . 2]" 1
581 1 55 VAL H 1 55 VAL MG1 . . 4.430 3.347 2.780 3.994 . 0 0 "[ . 1 . 2]" 1
582 1 55 VAL H 1 55 VAL QG . . 3.510 2.494 2.003 3.130 . 0 0 "[ . 1 . 2]" 1
583 1 55 VAL H 1 55 VAL MG2 . . 4.430 2.583 2.035 3.281 . 0 0 "[ . 1 . 2]" 1
584 1 55 VAL HA 1 56 LYS H . . 3.710 2.299 2.149 2.420 . 0 0 "[ . 1 . 2]" 1
585 1 55 VAL HA 1 70 THR H . . 4.360 3.039 2.423 3.471 . 0 0 "[ . 1 . 2]" 1
586 1 55 VAL HB 1 56 LYS H . . 3.490 2.915 2.328 3.760 0.270 15 0 "[ . 1 . 2]" 1
587 1 55 VAL HB 1 67 PHE HB3 . . 4.980 3.640 2.703 4.994 0.014 15 0 "[ . 1 . 2]" 1
588 1 55 VAL QG 1 56 LYS H . . 3.910 2.761 1.941 3.387 . 0 0 "[ . 1 . 2]" 1
589 1 55 VAL QG 1 67 PHE HA . . 5.040 4.425 3.499 5.096 0.056 1 0 "[ . 1 . 2]" 1
590 1 55 VAL QG 1 67 PHE HB2 . . 4.810 3.835 2.975 4.465 . 0 0 "[ . 1 . 2]" 1
591 1 55 VAL QG 1 67 PHE HB3 . . 3.960 2.905 2.015 3.588 . 0 0 "[ . 1 . 2]" 1
592 1 55 VAL QG 1 67 PHE QD . . 4.150 3.009 2.202 3.773 . 0 0 "[ . 1 . 2]" 1
593 1 55 VAL QG 1 68 TYR H . . 5.520 4.041 2.811 4.961 . 0 0 "[ . 1 . 2]" 1
594 1 55 VAL MG1 1 67 PHE HB3 . . 4.820 3.449 2.020 4.467 . 0 0 "[ . 1 . 2]" 1
595 1 55 VAL MG2 1 67 PHE HB3 . . 4.820 3.756 3.279 4.413 . 0 0 "[ . 1 . 2]" 1
596 1 56 LYS H 1 56 LYS QB . . 3.320 2.644 2.475 2.966 . 0 0 "[ . 1 . 2]" 1
597 1 56 LYS H 1 68 TYR H . . 4.210 2.960 2.684 3.399 . 0 0 "[ . 1 . 2]" 1
598 1 56 LYS H 1 68 TYR QD . . 5.120 4.228 3.889 4.544 . 0 0 "[ . 1 . 2]" 1
599 1 56 LYS HA 1 56 LYS QE . . 4.820 4.073 3.266 4.595 . 0 0 "[ . 1 . 2]" 1
600 1 56 LYS HA 1 57 GLU H . . 3.470 2.359 2.102 2.664 . 0 0 "[ . 1 . 2]" 1
601 1 56 LYS QB 1 57 GLU H . . 3.820 2.809 2.079 3.574 . 0 0 "[ . 1 . 2]" 1
602 1 56 LYS HB2 1 68 TYR QE . . 4.400 3.089 2.760 3.776 . 0 0 "[ . 1 . 2]" 1
603 1 56 LYS HB3 1 68 TYR QE . . 4.400 3.061 2.737 3.357 . 0 0 "[ . 1 . 2]" 1
604 1 56 LYS QD 1 57 GLU H . . 4.300 3.202 2.357 4.707 0.407 8 0 "[ . 1 . 2]" 1
605 1 56 LYS QG 1 57 GLU H . . 4.540 3.475 1.808 4.245 . 0 0 "[ . 1 . 2]" 1
606 1 57 GLU H 1 57 GLU HB2 . . 4.300 3.372 2.430 3.956 . 0 0 "[ . 1 . 2]" 1
607 1 57 GLU H 1 57 GLU HB3 . . 4.040 2.798 2.333 3.307 . 0 0 "[ . 1 . 2]" 1
608 1 57 GLU H 1 57 GLU QG . . 4.320 2.838 1.868 3.987 . 0 0 "[ . 1 . 2]" 1
609 1 57 GLU HB2 1 67 PHE QD . . 4.540 3.693 3.246 4.171 . 0 0 "[ . 1 . 2]" 1
610 1 57 GLU QG 1 67 PHE QD . . 4.490 4.098 3.587 4.749 0.259 12 0 "[ . 1 . 2]" 1
611 1 58 GLY H 1 67 PHE HA . . 4.590 3.651 2.836 4.317 . 0 0 "[ . 1 . 2]" 1
612 1 58 GLY QA 1 68 TYR QE . . 5.240 3.921 2.802 4.693 . 0 0 "[ . 1 . 2]" 1
613 1 59 CYS H 1 59 CYS HB2 . . 4.380 2.565 2.349 3.556 . 0 0 "[ . 1 . 2]" 1
614 1 59 CYS H 1 59 CYS QB . . 3.810 2.420 2.305 2.825 . 0 0 "[ . 1 . 2]" 1
615 1 59 CYS H 1 59 CYS HB3 . . 4.380 3.313 2.619 3.859 . 0 0 "[ . 1 . 2]" 1
616 1 59 CYS H 1 65 LYS HA . . 5.320 4.682 2.581 6.232 0.912 8 2 "[ . +-1 . 2]" 1
617 1 59 CYS HA 1 60 LYS H . . 3.730 2.353 2.136 2.491 . 0 0 "[ . 1 . 2]" 1
618 1 59 CYS QB 1 60 LYS H . . 4.810 2.915 2.214 4.056 . 0 0 "[ . 1 . 2]" 1
619 1 60 LYS H 1 60 LYS QB . . 3.780 2.332 2.075 2.941 . 0 0 "[ . 1 . 2]" 1
620 1 60 LYS H 1 60 LYS QG . . 4.920 2.774 2.059 3.882 . 0 0 "[ . 1 . 2]" 1
621 1 60 LYS HA 1 60 LYS HG2 . . 4.270 3.205 2.472 3.782 . 0 0 "[ . 1 . 2]" 1
622 1 60 LYS HA 1 60 LYS QG . . 3.700 2.808 2.348 3.387 . 0 0 "[ . 1 . 2]" 1
623 1 60 LYS HA 1 60 LYS HG3 . . 4.270 3.216 2.534 3.845 . 0 0 "[ . 1 . 2]" 1
624 1 60 LYS QB 1 61 GLN H . . 4.360 3.024 2.158 4.014 . 0 0 "[ . 1 . 2]" 1
625 1 61 GLN H 1 61 GLN QB . . 3.710 2.338 2.149 2.558 . 0 0 "[ . 1 . 2]" 1
626 1 62 GLY QA 1 63 ILE MG . . 4.250 3.684 3.130 4.315 0.065 3 0 "[ . 1 . 2]" 1
627 1 63 ILE HG12 1 63 ILE MG . . 3.720 2.352 2.133 2.475 . 0 0 "[ . 1 . 2]" 1
628 1 63 ILE HG13 1 63 ILE MG . . 3.720 3.014 2.365 3.275 . 0 0 "[ . 1 . 2]" 1
629 1 63 ILE MG 1 64 SER H . . 4.390 3.623 3.100 3.981 . 0 0 "[ . 1 . 2]" 1
630 1 64 SER H 1 64 SER QB . . 3.410 2.356 2.154 2.868 . 0 0 "[ . 1 . 2]" 1
631 1 64 SER HA 1 65 LYS H . . 3.730 2.340 2.068 2.574 . 0 0 "[ . 1 . 2]" 1
632 1 64 SER QB 1 65 LYS H . . 4.580 3.086 2.406 3.887 . 0 0 "[ . 1 . 2]" 1
633 1 64 SER HB2 1 65 LYS H . . 5.410 3.667 2.440 4.403 . 0 0 "[ . 1 . 2]" 1
634 1 64 SER HB3 1 65 LYS H . . 5.410 3.559 2.496 4.335 . 0 0 "[ . 1 . 2]" 1
635 1 65 LYS H 1 65 LYS HB2 . . 4.200 3.473 2.180 3.849 . 0 0 "[ . 1 . 2]" 1
636 1 65 LYS H 1 65 LYS HB3 . . 4.200 2.731 2.324 3.805 . 0 0 "[ . 1 . 2]" 1
637 1 65 LYS H 1 65 LYS QD . . 5.250 4.083 3.494 4.885 . 0 0 "[ . 1 . 2]" 1
638 1 65 LYS H 1 65 LYS QG . . 4.110 2.355 1.916 3.854 . 0 0 "[ . 1 . 2]" 1
639 1 65 LYS HA 1 66 THR H . . 3.610 2.344 2.155 2.534 . 0 0 "[ . 1 . 2]" 1
640 1 65 LYS HA 1 66 THR HB . . 4.710 4.211 3.983 4.342 . 0 0 "[ . 1 . 2]" 1
641 1 65 LYS HA 1 66 THR MG . . 4.390 3.477 3.006 3.817 . 0 0 "[ . 1 . 2]" 1
642 1 65 LYS QB 1 65 LYS QE . . 3.910 2.605 1.860 3.627 . 0 0 "[ . 1 . 2]" 1
643 1 65 LYS QB 1 66 THR H . . 3.810 2.587 2.033 3.402 . 0 0 "[ . 1 . 2]" 1
644 1 65 LYS QB 1 67 PHE QE . . 4.370 3.799 3.395 4.088 . 0 0 "[ . 1 . 2]" 1
645 1 65 LYS HB2 1 66 THR H . . 4.710 2.688 2.045 4.187 . 0 0 "[ . 1 . 2]" 1
646 1 65 LYS HB3 1 66 THR H . . 4.710 3.741 3.254 3.991 . 0 0 "[ . 1 . 2]" 1
647 1 65 LYS QD 1 67 PHE QE . . 4.640 3.055 2.249 3.988 . 0 0 "[ . 1 . 2]" 1
648 1 65 LYS QG 1 66 THR HB . . 5.260 5.024 4.736 5.478 0.218 19 0 "[ . 1 . 2]" 1
649 1 66 THR H 1 66 THR MG . . 4.210 2.538 2.383 2.637 . 0 0 "[ . 1 . 2]" 1
650 1 66 THR HA 1 67 PHE QD . . 4.700 2.671 2.226 3.317 . 0 0 "[ . 1 . 2]" 1
651 1 66 THR HB 1 67 PHE H . . 4.220 3.840 3.733 3.904 . 0 0 "[ . 1 . 2]" 1
652 1 66 THR MG 1 67 PHE H . . 4.440 3.449 3.208 3.713 . 0 0 "[ . 1 . 2]" 1
653 1 67 PHE H 1 67 PHE QD . . 4.490 2.747 2.241 3.095 . 0 0 "[ . 1 . 2]" 1
654 1 67 PHE HA 1 67 PHE QD . . 4.480 3.142 2.980 3.242 . 0 0 "[ . 1 . 2]" 1
655 1 67 PHE HA 1 68 TYR H . . 3.820 2.188 2.096 2.280 . 0 0 "[ . 1 . 2]" 1
656 1 67 PHE HB2 1 68 TYR H . . 5.100 4.165 3.867 4.431 . 0 0 "[ . 1 . 2]" 1
657 1 67 PHE HB3 1 68 TYR H . . 4.550 3.178 2.795 3.517 . 0 0 "[ . 1 . 2]" 1
658 1 67 PHE QD 1 68 TYR H . . 5.030 4.317 3.964 4.633 . 0 0 "[ . 1 . 2]" 1
659 1 68 TYR H 1 68 TYR QD . . 4.400 2.893 2.515 3.313 . 0 0 "[ . 1 . 2]" 1
660 1 68 TYR H 1 68 TYR QE . . 6.010 4.403 4.209 4.619 . 0 0 "[ . 1 . 2]" 1
661 1 68 TYR H 1 69 ILE MD . . 6.050 4.525 3.912 5.069 . 0 0 "[ . 1 . 2]" 1
662 1 68 TYR HA 1 68 TYR QD . . 4.140 3.731 3.670 3.791 . 0 0 "[ . 1 . 2]" 1
663 1 68 TYR HA 1 69 ILE H . . 3.850 2.459 2.324 2.657 . 0 0 "[ . 1 . 2]" 1
664 1 68 TYR HA 1 69 ILE MD . . 4.000 2.655 2.117 3.643 . 0 0 "[ . 1 . 2]" 1
665 1 68 TYR QB 1 69 ILE H . . 4.310 2.329 2.161 2.425 . 0 0 "[ . 1 . 2]" 1
666 1 68 TYR QD 1 69 ILE H . . 4.880 2.804 2.253 3.428 . 0 0 "[ . 1 . 2]" 1
667 1 68 TYR QD 1 70 THR HA . . 4.420 3.635 3.233 3.997 . 0 0 "[ . 1 . 2]" 1
668 1 68 TYR QE 1 70 THR HA . . 4.070 3.472 2.582 4.064 . 0 0 "[ . 1 . 2]" 1
669 1 69 ILE H 1 69 ILE MD . . 3.440 2.629 1.793 3.173 . 0 0 "[ . 1 . 2]" 1
670 1 69 ILE HB 1 70 THR H . . 4.710 4.188 4.068 4.384 . 0 0 "[ . 1 . 2]" 1
671 1 69 ILE QG 1 70 THR H . . 5.410 4.249 3.699 4.850 . 0 0 "[ . 1 . 2]" 1
672 1 69 ILE MG 1 70 THR H . . 4.490 2.630 2.323 3.137 . 0 0 "[ . 1 . 2]" 1
673 1 69 ILE MG 1 73 GLY H . . 4.880 3.882 3.530 4.243 . 0 0 "[ . 1 . 2]" 1
674 1 69 ILE MG 1 74 ILE H . . 5.450 3.699 2.502 4.959 . 0 0 "[ . 1 . 2]" 1
675 1 70 THR H 1 70 THR HB . . 3.770 3.574 3.551 3.641 . 0 0 "[ . 1 . 2]" 1
676 1 70 THR H 1 73 GLY H . . 5.640 4.042 3.648 4.567 . 0 0 "[ . 1 . 2]" 1
677 1 71 PRO HA 1 74 ILE H . . 4.660 3.115 2.933 3.325 . 0 0 "[ . 1 . 2]" 1
678 1 71 PRO HA 1 74 ILE MD . . 4.330 2.252 1.909 2.582 . 0 0 "[ . 1 . 2]" 1
679 1 71 PRO QB 1 74 ILE MD . . 4.920 3.310 2.531 3.728 . 0 0 "[ . 1 . 2]" 1
680 1 71 PRO QB 1 74 ILE MG . . 4.910 4.420 4.230 4.622 . 0 0 "[ . 1 . 2]" 1
681 1 71 PRO HG2 1 72 ASN H . . 4.730 2.394 2.188 2.752 . 0 0 "[ . 1 . 2]" 1
682 1 71 PRO HG2 1 72 ASN HA . . 4.580 4.229 4.153 4.278 . 0 0 "[ . 1 . 2]" 1
683 1 71 PRO HG2 1 72 ASN QB . . 5.040 4.306 3.438 4.609 . 0 0 "[ . 1 . 2]" 1
684 1 71 PRO HG3 1 72 ASN H . . 4.720 4.014 3.872 4.325 . 0 0 "[ . 1 . 2]" 1
685 1 72 ASN H 1 73 GLY H . . 4.590 2.834 2.720 2.942 . 0 0 "[ . 1 . 2]" 1
686 1 72 ASN QB 1 73 GLY H . . 4.390 2.869 2.623 3.131 . 0 0 "[ . 1 . 2]" 1
687 1 73 GLY HA2 1 76 LYS QD . . 4.440 4.202 3.517 5.119 0.679 9 1 "[ . +1 . 2]" 1
688 1 73 GLY HA2 1 76 LYS QG . . 3.840 2.709 2.177 3.511 . 0 0 "[ . 1 . 2]" 1
689 1 73 GLY HA3 1 76 LYS H . . 5.460 4.731 4.429 4.947 . 0 0 "[ . 1 . 2]" 1
690 1 74 ILE H 1 74 ILE HB . . 3.600 2.423 2.291 2.590 . 0 0 "[ . 1 . 2]" 1
691 1 74 ILE H 1 74 ILE MD . . 4.330 3.292 1.935 3.583 . 0 0 "[ . 1 . 2]" 1
692 1 74 ILE H 1 74 ILE HG12 . . 4.160 3.655 3.434 3.924 . 0 0 "[ . 1 . 2]" 1
693 1 74 ILE H 1 74 ILE QG . . 3.550 2.315 1.976 2.920 . 0 0 "[ . 1 . 2]" 1
694 1 74 ILE H 1 74 ILE HG13 . . 4.160 2.344 1.988 3.012 . 0 0 "[ . 1 . 2]" 1
695 1 74 ILE H 1 74 ILE MG . . 4.240 3.785 3.734 3.834 . 0 0 "[ . 1 . 2]" 1
696 1 74 ILE H 1 75 GLU QG . . 4.970 4.465 4.157 4.607 . 0 0 "[ . 1 . 2]" 1
697 1 74 ILE H 1 77 LEU MD1 . . 4.510 4.150 3.753 4.819 0.309 10 0 "[ . 1 . 2]" 1
698 1 74 ILE H 1 77 LEU HG . . 4.820 4.334 4.080 4.924 0.104 10 0 "[ . 1 . 2]" 1
699 1 74 ILE HA 1 74 ILE MD . . 4.050 3.769 3.494 3.887 . 0 0 "[ . 1 . 2]" 1
700 1 74 ILE HA 1 74 ILE QG . . 3.890 2.291 2.221 2.409 . 0 0 "[ . 1 . 2]" 1
701 1 74 ILE HA 1 77 LEU H . . 5.020 3.207 2.842 3.446 . 0 0 "[ . 1 . 2]" 1
702 1 74 ILE HA 1 77 LEU QB . . 4.690 2.911 2.298 3.252 . 0 0 "[ . 1 . 2]" 1
703 1 74 ILE HA 1 77 LEU MD2 . . 3.880 3.761 3.607 4.850 0.970 10 1 "[ . + . 2]" 1
704 1 74 ILE HA 1 77 LEU HG . . 4.480 2.216 2.061 3.394 . 0 0 "[ . 1 . 2]" 1
705 1 74 ILE HB 1 78 LYS QE . . 4.990 4.430 4.069 4.880 . 0 0 "[ . 1 . 2]" 1
706 1 74 ILE QG 1 78 LYS QE . . 4.630 4.404 3.946 4.732 0.102 6 0 "[ . 1 . 2]" 1
707 1 74 ILE MG 1 75 GLU H . . 4.390 3.404 3.192 3.653 . 0 0 "[ . 1 . 2]" 1
708 1 74 ILE MG 1 75 GLU HA . . 4.810 3.561 3.310 3.910 . 0 0 "[ . 1 . 2]" 1
709 1 74 ILE MG 1 75 GLU QG . . 4.830 3.875 3.396 4.155 . 0 0 "[ . 1 . 2]" 1
710 1 74 ILE MG 1 77 LEU QB . . 4.300 3.204 2.752 3.697 . 0 0 "[ . 1 . 2]" 1
711 1 74 ILE MG 1 78 LYS HE2 . . 4.800 2.625 1.892 3.823 . 0 0 "[ . 1 . 2]" 1
712 1 74 ILE MG 1 78 LYS QE . . 4.020 2.033 1.787 2.459 . 0 0 "[ . 1 . 2]" 1
713 1 74 ILE MG 1 78 LYS HE3 . . 4.800 2.504 1.999 3.285 . 0 0 "[ . 1 . 2]" 1
714 1 74 ILE MG 1 78 LYS QG . . 3.870 3.101 2.284 3.629 . 0 0 "[ . 1 . 2]" 1
715 1 75 GLU H 1 75 GLU QB . . 3.470 2.464 2.343 2.579 . 0 0 "[ . 1 . 2]" 1
716 1 75 GLU H 1 75 GLU QG . . 4.330 2.208 2.044 2.409 . 0 0 "[ . 1 . 2]" 1
717 1 75 GLU H 1 76 LYS H . . 4.270 2.874 2.684 2.995 . 0 0 "[ . 1 . 2]" 1
718 1 75 GLU HA 1 77 LEU H . . 5.180 4.277 3.868 4.688 . 0 0 "[ . 1 . 2]" 1
719 1 75 GLU HA 1 78 LYS QG . . 4.290 2.565 2.231 3.713 . 0 0 "[ . 1 . 2]" 1
720 1 75 GLU QB 1 76 LYS H . . 4.000 2.626 2.401 2.821 . 0 0 "[ . 1 . 2]" 1
721 1 75 GLU QB 1 76 LYS QG . . 3.690 3.308 2.917 3.621 . 0 0 "[ . 1 . 2]" 1
722 1 75 GLU QG 1 78 LYS QG . . 4.840 4.092 3.598 4.807 . 0 0 "[ . 1 . 2]" 1
723 1 76 LYS H 1 76 LYS HB2 . . 4.040 2.650 2.395 2.905 . 0 0 "[ . 1 . 2]" 1
724 1 76 LYS H 1 76 LYS HB3 . . 4.040 3.616 3.372 3.673 . 0 0 "[ . 1 . 2]" 1
725 1 76 LYS H 1 76 LYS QG . . 4.370 2.136 1.941 2.421 . 0 0 "[ . 1 . 2]" 1
726 1 76 LYS HA 1 76 LYS QG . . 3.920 3.009 2.394 3.363 . 0 0 "[ . 1 . 2]" 1
727 1 76 LYS QB 1 77 LEU H . . 4.760 2.812 2.645 3.223 . 0 0 "[ . 1 . 2]" 1
728 1 77 LEU H 1 77 LEU HB2 . . 4.200 2.730 2.426 2.905 . 0 0 "[ . 1 . 2]" 1
729 1 77 LEU H 1 77 LEU QB . . 3.560 2.655 2.373 2.804 . 0 0 "[ . 1 . 2]" 1
730 1 77 LEU H 1 77 LEU HB3 . . 4.200 3.633 3.355 3.698 . 0 0 "[ . 1 . 2]" 1
731 1 77 LEU H 1 77 LEU MD1 . . 4.320 3.669 3.531 3.890 . 0 0 "[ . 1 . 2]" 1
732 1 77 LEU H 1 77 LEU MD2 . . 4.320 2.990 2.683 3.455 . 0 0 "[ . 1 . 2]" 1
733 1 77 LEU H 1 77 LEU HG . . 3.860 2.110 1.907 2.550 . 0 0 "[ . 1 . 2]" 1
734 1 77 LEU HA 1 77 LEU MD1 . . 4.700 3.918 3.781 4.030 . 0 0 "[ . 1 . 2]" 1
735 1 77 LEU HA 1 77 LEU MD2 . . 3.430 2.334 2.095 2.495 . 0 0 "[ . 1 . 2]" 1
736 1 77 LEU HA 1 77 LEU HG . . 4.460 3.358 3.053 3.441 . 0 0 "[ . 1 . 2]" 1
737 1 77 LEU HA 1 80 ILE H . . 4.660 3.888 3.383 5.681 1.021 20 1 "[ . 1 . +]" 1
738 1 77 LEU HA 1 80 ILE MD . . 4.630 2.856 2.134 4.547 . 0 0 "[ . 1 . 2]" 1
739 1 77 LEU HA 1 80 ILE HG12 . . 4.950 3.138 2.067 4.625 . 0 0 "[ . 1 . 2]" 1
740 1 77 LEU HA 1 80 ILE QG . . 3.990 2.558 2.022 3.225 . 0 0 "[ . 1 . 2]" 1
741 1 77 LEU HA 1 80 ILE HG13 . . 4.950 3.120 2.092 4.246 . 0 0 "[ . 1 . 2]" 1
742 1 78 LYS H 1 78 LYS QB . . 3.640 2.520 2.268 2.682 . 0 0 "[ . 1 . 2]" 1
743 1 78 LYS H 1 78 LYS QD . . 3.740 3.239 2.512 3.694 . 0 0 "[ . 1 . 2]" 1
744 1 78 LYS H 1 78 LYS HG2 . . 4.630 2.312 1.997 4.070 . 0 0 "[ . 1 . 2]" 1
745 1 78 LYS H 1 78 LYS QG . . 3.800 2.270 1.986 3.595 . 0 0 "[ . 1 . 2]" 1
746 1 78 LYS H 1 78 LYS HG3 . . 4.630 3.657 3.325 4.003 . 0 0 "[ . 1 . 2]" 1
747 1 78 LYS H 1 80 ILE QG . . 4.720 4.633 4.251 5.319 0.599 7 1 "[ . + 1 . 2]" 1
748 1 78 LYS HA 1 78 LYS QD . . 3.620 2.243 1.950 3.418 . 0 0 "[ . 1 . 2]" 1
749 1 78 LYS HA 1 78 LYS HE2 . . 4.420 4.090 2.115 4.840 0.420 13 0 "[ . 1 . 2]" 1
750 1 78 LYS HA 1 78 LYS HE3 . . 4.420 4.521 3.534 5.208 0.788 13 6 "[ . 1*-+** * 2]" 1
751 1 78 LYS HA 1 78 LYS QG . . 3.650 3.043 2.387 3.285 . 0 0 "[ . 1 . 2]" 1
752 1 78 LYS QB 1 79 SER H . . 4.490 2.874 2.312 3.481 . 0 0 "[ . 1 . 2]" 1
753 1 79 SER H 1 79 SER HB2 . . 4.300 2.653 2.352 3.771 . 0 0 "[ . 1 . 2]" 1
754 1 79 SER H 1 79 SER QB . . 3.500 2.386 2.147 2.941 . 0 0 "[ . 1 . 2]" 1
755 1 79 SER H 1 79 SER HB3 . . 4.300 3.020 2.367 3.677 . 0 0 "[ . 1 . 2]" 1
756 1 79 SER H 1 80 ILE H . . 4.060 2.778 2.319 3.756 . 0 0 "[ . 1 . 2]" 1
757 1 79 SER H 1 80 ILE QG . . 4.690 3.862 3.093 4.660 . 0 0 "[ . 1 . 2]" 1
758 1 80 ILE H 1 80 ILE HB . . 4.240 3.151 2.407 3.768 . 0 0 "[ . 1 . 2]" 1
759 1 80 ILE H 1 80 ILE HG12 . . 4.410 2.719 1.916 4.035 . 0 0 "[ . 1 . 2]" 1
760 1 80 ILE H 1 80 ILE QG . . 3.740 2.164 1.892 3.190 . 0 0 "[ . 1 . 2]" 1
761 1 80 ILE H 1 80 ILE HG13 . . 4.410 2.684 1.976 3.508 . 0 0 "[ . 1 . 2]" 1
762 1 80 ILE H 1 81 MET H . . 3.980 3.328 2.172 4.548 0.568 9 3 "[ -* +1 . 2]" 1
763 1 80 ILE HA 1 80 ILE MG . . 3.710 2.342 2.188 2.559 . 0 0 "[ . 1 . 2]" 1
764 1 80 ILE MD 1 80 ILE MG . . 3.310 2.181 1.774 3.066 . 0 0 "[ . 1 . 2]" 1
765 1 80 ILE QG 1 80 ILE MG . . 3.300 2.309 2.131 2.486 . 0 0 "[ . 1 . 2]" 1
766 1 81 MET H 1 81 MET QG . . 4.430 3.229 2.132 4.039 . 0 0 "[ . 1 . 2]" 1
stop_
save_
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