NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
477674 |
2l09   |
17035 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l09
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 1230
_Distance_constraint_stats_list.Viol_count 959
_Distance_constraint_stats_list.Viol_total 635.477
_Distance_constraint_stats_list.Viol_max 0.198
_Distance_constraint_stats_list.Viol_rms 0.0085
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0331
_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 ASN 0.405 0.093 16 0 "[ . 1 . 2]"
1 3 LEU 0.574 0.046 8 0 "[ . 1 . 2]"
1 4 ARG 1.407 0.140 9 0 "[ . 1 . 2]"
1 5 TRP 3.972 0.140 9 0 "[ . 1 . 2]"
1 6 THR 2.111 0.068 18 0 "[ . 1 . 2]"
1 7 SER 0.181 0.060 10 0 "[ . 1 . 2]"
1 8 GLU 0.380 0.061 19 0 "[ . 1 . 2]"
1 9 ALA 0.436 0.061 19 0 "[ . 1 . 2]"
1 10 LYS 0.935 0.076 1 0 "[ . 1 . 2]"
1 11 THR 0.236 0.075 12 0 "[ . 1 . 2]"
1 12 LYS 1.112 0.099 8 0 "[ . 1 . 2]"
1 13 LEU 1.814 0.152 14 0 "[ . 1 . 2]"
1 14 LYS 0.341 0.077 16 0 "[ . 1 . 2]"
1 15 ASN 0.805 0.099 8 0 "[ . 1 . 2]"
1 16 ILE 1.603 0.120 17 0 "[ . 1 . 2]"
1 17 PRO 0.733 0.095 13 0 "[ . 1 . 2]"
1 18 PHE 0.463 0.090 4 0 "[ . 1 . 2]"
1 19 PHE 0.350 0.080 20 0 "[ . 1 . 2]"
1 20 ALA 1.243 0.095 13 0 "[ . 1 . 2]"
1 21 ARG 0.667 0.090 4 0 "[ . 1 . 2]"
1 22 SER 0.082 0.041 15 0 "[ . 1 . 2]"
1 23 GLN 0.878 0.077 1 0 "[ . 1 . 2]"
1 24 ALA 1.009 0.072 17 0 "[ . 1 . 2]"
1 25 LYS 2.430 0.152 14 0 "[ . 1 . 2]"
1 26 ALA 0.296 0.056 9 0 "[ . 1 . 2]"
1 27 ARG 1.123 0.093 10 0 "[ . 1 . 2]"
1 28 ILE 0.675 0.064 16 0 "[ . 1 . 2]"
1 29 GLU 0.232 0.041 19 0 "[ . 1 . 2]"
1 30 GLN 0.295 0.123 15 0 "[ . 1 . 2]"
1 31 LEU 1.717 0.093 10 0 "[ . 1 . 2]"
1 32 ALA 0.781 0.067 20 0 "[ . 1 . 2]"
1 33 ARG 0.949 0.147 17 0 "[ . 1 . 2]"
1 34 GLN 0.609 0.109 3 0 "[ . 1 . 2]"
1 35 ALA 1.186 0.198 13 0 "[ . 1 . 2]"
1 36 GLU 0.305 0.051 3 0 "[ . 1 . 2]"
1 37 GLN 1.062 0.198 13 0 "[ . 1 . 2]"
1 38 ASP 1.713 0.116 10 0 "[ . 1 . 2]"
1 39 ILE 2.233 0.102 10 0 "[ . 1 . 2]"
1 40 VAL 4.023 0.102 15 0 "[ . 1 . 2]"
1 41 THR 1.197 0.082 7 0 "[ . 1 . 2]"
1 42 PRO 1.789 0.102 19 0 "[ . 1 . 2]"
1 43 GLU 0.311 0.082 7 0 "[ . 1 . 2]"
1 44 LEU 1.345 0.109 3 0 "[ . 1 . 2]"
1 45 VAL 1.220 0.089 9 0 "[ . 1 . 2]"
1 46 GLU 0.649 0.084 4 0 "[ . 1 . 2]"
1 47 GLN 1.810 0.122 9 0 "[ . 1 . 2]"
1 48 ALA 0.608 0.093 19 0 "[ . 1 . 2]"
1 49 ARG 2.117 0.125 20 0 "[ . 1 . 2]"
1 50 LEU 3.184 0.127 5 0 "[ . 1 . 2]"
1 51 GLU 0.048 0.022 1 0 "[ . 1 . 2]"
1 52 PHE 2.058 0.127 5 0 "[ . 1 . 2]"
1 53 GLY 0.834 0.083 12 0 "[ . 1 . 2]"
1 54 GLN 0.193 0.083 17 0 "[ . 1 . 2]"
1 55 LEU 0.487 0.083 17 0 "[ . 1 . 2]"
1 56 GLU 0.219 0.081 6 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 ASN HA 1 3 LEU MD2 1.800 . 4.950 4.426 4.048 4.835 . 0 0 "[ . 1 . 2]" 1
2 1 2 ASN HA 1 3 LEU H 1.800 . 2.480 2.246 2.116 2.481 0.001 6 0 "[ . 1 . 2]" 1
3 1 2 ASN HA 1 25 LYS QG 1.800 . 5.500 5.205 4.592 5.593 0.093 16 0 "[ . 1 . 2]" 1
4 1 2 ASN QB 1 3 LEU H 1.800 . 4.350 3.116 2.288 3.969 . 0 0 "[ . 1 . 2]" 1
5 1 3 LEU HA 1 3 LEU MD1 1.800 . 3.800 3.804 3.742 3.841 0.041 12 0 "[ . 1 . 2]" 1
6 1 3 LEU HA 1 3 LEU MD2 1.800 . 2.970 1.941 1.842 2.052 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU HA 1 3 LEU HG 1.800 . 4.020 3.145 3.068 3.279 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU HA 1 4 ARG H 1.800 . 3.510 2.591 2.464 2.637 . 0 0 "[ . 1 . 2]" 1
9 1 3 LEU HA 1 38 ASP HB3 1.800 . 6.230 4.524 3.655 5.755 . 0 0 "[ . 1 . 2]" 1
10 1 3 LEU HA 1 38 ASP HB2 1.800 . 6.230 5.797 5.271 6.238 0.008 18 0 "[ . 1 . 2]" 1
11 1 3 LEU QB 1 4 ARG QB 1.800 . 4.400 3.893 3.726 3.993 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU QB 1 29 GLU QB 1.800 . 4.880 3.515 3.132 4.508 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU QB 1 29 GLU QG 1.800 . 5.090 2.630 2.286 3.229 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU QB 1 38 ASP HA 1.800 . 4.910 3.377 2.866 3.738 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU QB 1 38 ASP QB 1.800 . 4.970 4.001 3.172 4.374 . 0 0 "[ . 1 . 2]" 1
16 1 3 LEU QB 1 40 VAL H 1.800 . 4.590 3.837 3.550 4.012 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU HB3 1 3 LEU MD1 1.800 . 3.350 2.326 2.271 2.370 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU HB3 1 3 LEU MD2 1.800 . 4.030 2.425 2.383 2.488 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU HB3 1 4 ARG H 1.800 . 4.460 2.067 1.962 2.235 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU HB3 1 29 GLU HA 1.800 . 5.500 4.885 4.681 5.416 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU HB3 1 40 VAL MG1 1.800 . 3.860 2.928 2.632 3.191 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU HB2 1 3 LEU MD1 1.800 . 3.350 2.379 2.343 2.429 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU HB2 1 3 LEU MD2 1.800 . 4.030 3.198 3.192 3.203 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU HB2 1 4 ARG H 1.800 . 4.460 3.300 3.217 3.478 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU HB2 1 29 GLU HA 1.800 . 5.500 3.865 3.650 4.204 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU HB2 1 40 VAL MG1 1.800 . 3.860 2.579 2.298 2.809 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU MD1 1 28 ILE MG 1.800 . 4.540 4.414 4.139 4.569 0.029 4 0 "[ . 1 . 2]" 1
28 1 3 LEU MD1 1 29 GLU HA 1.800 . 3.250 2.148 1.947 2.554 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU MD1 1 29 GLU HB3 1.800 . 4.970 2.457 2.169 3.236 . 0 0 "[ . 1 . 2]" 1
30 1 3 LEU MD1 1 29 GLU HB2 1.800 . 4.970 3.805 3.576 4.438 . 0 0 "[ . 1 . 2]" 1
31 1 3 LEU MD1 1 29 GLU HG3 1.800 . 4.560 4.133 3.748 4.579 0.019 18 0 "[ . 1 . 2]" 1
32 1 3 LEU MD1 1 29 GLU HG2 1.800 . 4.560 2.876 2.312 3.254 . 0 0 "[ . 1 . 2]" 1
33 1 3 LEU MD1 1 32 ALA MB 1.800 . 2.710 1.959 1.804 2.163 . 0 0 "[ . 1 . 2]" 1
34 1 3 LEU MD1 1 32 ALA H 1.800 . 5.000 3.832 3.630 4.141 . 0 0 "[ . 1 . 2]" 1
35 1 3 LEU MD1 1 33 ARG QB 1.800 . 5.500 4.130 3.609 4.452 . 0 0 "[ . 1 . 2]" 1
36 1 3 LEU MD1 1 33 ARG QD 1.800 . 5.000 3.372 2.438 4.278 . 0 0 "[ . 1 . 2]" 1
37 1 3 LEU MD1 1 33 ARG QG 1.800 . 3.770 2.364 1.759 2.771 0.041 8 0 "[ . 1 . 2]" 1
38 1 3 LEU MD1 1 33 ARG H 1.800 . 5.000 3.294 2.848 3.581 . 0 0 "[ . 1 . 2]" 1
39 1 3 LEU MD1 1 37 GLN H 1.800 . 5.370 4.805 4.254 5.326 . 0 0 "[ . 1 . 2]" 1
40 1 3 LEU MD1 1 38 ASP HA 1.800 . 3.190 2.798 2.224 3.236 0.046 8 0 "[ . 1 . 2]" 1
41 1 3 LEU MD1 1 39 ILE H 1.800 . 5.320 4.495 3.761 4.843 . 0 0 "[ . 1 . 2]" 1
42 1 3 LEU MD1 1 40 VAL MG1 1.800 . 4.980 2.496 2.193 2.681 . 0 0 "[ . 1 . 2]" 1
43 1 3 LEU MD1 1 40 VAL MG2 1.800 . 4.980 4.426 4.118 4.531 . 0 0 "[ . 1 . 2]" 1
44 1 3 LEU MD1 1 40 VAL H 1.800 . 4.790 4.641 4.312 4.803 0.013 13 0 "[ . 1 . 2]" 1
45 1 3 LEU MD2 1 4 ARG H 1.800 . 4.270 3.352 3.193 3.613 . 0 0 "[ . 1 . 2]" 1
46 1 3 LEU MD2 1 29 GLU QB 1.800 . 5.000 3.862 3.330 4.217 . 0 0 "[ . 1 . 2]" 1
47 1 3 LEU MD2 1 29 GLU QG 1.800 . 4.650 4.543 4.196 4.678 0.028 4 0 "[ . 1 . 2]" 1
48 1 3 LEU MD2 1 32 ALA MB 1.800 . 4.590 3.910 3.649 4.135 . 0 0 "[ . 1 . 2]" 1
49 1 3 LEU MD2 1 33 ARG HG3 1.800 . 4.960 4.109 2.951 4.954 . 0 0 "[ . 1 . 2]" 1
50 1 3 LEU MD2 1 33 ARG HG2 1.800 . 4.960 3.594 2.517 4.254 . 0 0 "[ . 1 . 2]" 1
51 1 3 LEU MD2 1 38 ASP HA 1.800 . 3.250 2.343 1.822 3.058 . 0 0 "[ . 1 . 2]" 1
52 1 3 LEU MD2 1 40 VAL MG1 1.800 . 5.000 4.247 3.946 4.427 . 0 0 "[ . 1 . 2]" 1
53 1 3 LEU MD2 1 40 VAL MG2 1.800 . 6.500 5.755 5.449 5.903 . 0 0 "[ . 1 . 2]" 1
54 1 3 LEU HG 1 29 GLU HA 1.800 . 5.500 3.956 3.532 4.208 . 0 0 "[ . 1 . 2]" 1
55 1 3 LEU HG 1 29 GLU QG 1.800 . 5.220 3.274 2.715 3.502 . 0 0 "[ . 1 . 2]" 1
56 1 3 LEU HG 1 40 VAL MG1 1.800 . 4.400 4.140 3.897 4.406 0.006 10 0 "[ . 1 . 2]" 1
57 1 3 LEU H 1 3 LEU HB3 1.800 . 3.770 3.637 3.582 3.715 . 0 0 "[ . 1 . 2]" 1
58 1 3 LEU H 1 3 LEU HB2 1.800 . 3.770 2.455 2.376 2.534 . 0 0 "[ . 1 . 2]" 1
59 1 3 LEU H 1 3 LEU MD2 1.800 . 4.010 3.470 3.223 3.737 . 0 0 "[ . 1 . 2]" 1
60 1 3 LEU H 1 3 LEU HG 1.800 . 4.590 2.680 2.318 3.102 . 0 0 "[ . 1 . 2]" 1
61 1 4 ARG HA 1 4 ARG QG 1.800 . 3.340 2.405 2.166 2.528 . 0 0 "[ . 1 . 2]" 1
62 1 4 ARG HA 1 5 TRP H 1.800 . 2.640 2.118 2.061 2.184 . 0 0 "[ . 1 . 2]" 1
63 1 4 ARG QB 1 4 ARG QD 1.800 . 3.090 2.144 2.087 2.374 . 0 0 "[ . 1 . 2]" 1
64 1 4 ARG QB 1 5 TRP H 1.800 . 4.450 3.545 3.054 3.973 . 0 0 "[ . 1 . 2]" 1
65 1 4 ARG QB 1 39 ILE HA 1.800 . 4.010 2.236 1.988 2.752 . 0 0 "[ . 1 . 2]" 1
66 1 4 ARG QB 1 39 ILE MD 1.800 . 4.830 3.562 1.841 3.954 . 0 0 "[ . 1 . 2]" 1
67 1 4 ARG QB 1 39 ILE HG13 1.800 . 5.000 3.291 2.983 4.673 . 0 0 "[ . 1 . 2]" 1
68 1 4 ARG QB 1 39 ILE HG12 1.800 . 5.000 2.295 1.865 4.168 . 0 0 "[ . 1 . 2]" 1
69 1 4 ARG QB 1 39 ILE MG 1.800 . 3.770 2.901 2.469 3.629 . 0 0 "[ . 1 . 2]" 1
70 1 4 ARG QB 1 39 ILE H 1.800 . 5.000 4.261 3.831 4.696 . 0 0 "[ . 1 . 2]" 1
71 1 4 ARG QB 1 40 VAL H 1.800 . 4.440 3.767 3.556 4.137 . 0 0 "[ . 1 . 2]" 1
72 1 4 ARG QD 1 5 TRP H 1.800 . 5.370 5.282 4.863 5.510 0.140 9 0 "[ . 1 . 2]" 1
73 1 4 ARG QD 1 39 ILE MD 1.800 . 4.260 2.969 1.951 3.738 . 0 0 "[ . 1 . 2]" 1
74 1 4 ARG QD 1 39 ILE HG13 1.800 . 4.850 3.274 2.533 4.269 . 0 0 "[ . 1 . 2]" 1
75 1 4 ARG QD 1 39 ILE HG12 1.800 . 4.850 2.452 1.779 4.396 0.021 15 0 "[ . 1 . 2]" 1
76 1 4 ARG QG 1 5 TRP H 1.800 . 4.180 3.770 2.823 4.286 0.106 5 0 "[ . 1 . 2]" 1
77 1 4 ARG H 1 4 ARG QB 1.800 . 2.910 2.357 2.241 2.521 . 0 0 "[ . 1 . 2]" 1
78 1 4 ARG H 1 4 ARG QD 1.800 . 4.690 4.151 3.785 4.485 . 0 0 "[ . 1 . 2]" 1
79 1 4 ARG H 1 4 ARG QG 1.800 . 4.840 3.021 2.146 4.007 . 0 0 "[ . 1 . 2]" 1
80 1 4 ARG H 1 5 TRP H 1.800 . 4.700 4.366 4.190 4.522 . 0 0 "[ . 1 . 2]" 1
81 1 4 ARG H 1 38 ASP HB3 1.800 . 4.750 3.682 3.083 4.334 . 0 0 "[ . 1 . 2]" 1
82 1 4 ARG H 1 38 ASP HB2 1.800 . 4.750 4.711 4.313 4.866 0.116 10 0 "[ . 1 . 2]" 1
83 1 4 ARG H 1 39 ILE HA 1.800 . 5.000 3.127 2.699 3.548 . 0 0 "[ . 1 . 2]" 1
84 1 4 ARG H 1 40 VAL MG1 1.800 . 5.000 4.003 3.793 4.259 . 0 0 "[ . 1 . 2]" 1
85 1 5 TRP HA 1 5 TRP HE3 1.800 . 4.250 3.803 3.633 3.963 . 0 0 "[ . 1 . 2]" 1
86 1 5 TRP HA 1 6 THR MG 1.800 . 4.250 3.864 3.594 4.017 . 0 0 "[ . 1 . 2]" 1
87 1 5 TRP HA 1 6 THR H 1.800 . 2.670 2.140 2.105 2.172 . 0 0 "[ . 1 . 2]" 1
88 1 5 TRP HA 1 9 ALA MB 1.800 . 4.430 3.109 2.933 3.291 . 0 0 "[ . 1 . 2]" 1
89 1 5 TRP HA 1 10 LYS QG 1.800 . 4.790 4.229 3.978 4.469 . 0 0 "[ . 1 . 2]" 1
90 1 5 TRP HA 1 39 ILE HA 1.800 . 4.530 4.503 4.267 4.603 0.073 17 0 "[ . 1 . 2]" 1
91 1 5 TRP HA 1 39 ILE MG 1.800 . 4.340 4.020 3.706 4.350 0.010 19 0 "[ . 1 . 2]" 1
92 1 5 TRP HA 1 40 VAL MG1 1.800 . 3.970 3.806 3.550 3.961 . 0 0 "[ . 1 . 2]" 1
93 1 5 TRP HA 1 40 VAL MG2 1.800 . 4.190 1.769 1.698 1.857 0.102 15 0 "[ . 1 . 2]" 1
94 1 5 TRP HA 1 40 VAL H 1.800 . 5.000 3.042 2.855 3.192 . 0 0 "[ . 1 . 2]" 1
95 1 5 TRP QB 1 5 TRP HZ3 1.800 . 4.990 4.655 4.638 4.682 . 0 0 "[ . 1 . 2]" 1
96 1 5 TRP QB 1 9 ALA H 1.800 . 5.190 4.846 4.693 4.930 . 0 0 "[ . 1 . 2]" 1
97 1 5 TRP QB 1 10 LYS HA 1.800 . 4.910 3.620 3.445 3.795 . 0 0 "[ . 1 . 2]" 1
98 1 5 TRP QB 1 10 LYS HE2 1.800 . 5.500 3.916 2.105 5.224 . 0 0 "[ . 1 . 2]" 1
99 1 5 TRP QB 1 40 VAL MG2 1.800 . 5.220 3.112 3.039 3.181 . 0 0 "[ . 1 . 2]" 1
100 1 5 TRP QB 1 40 VAL H 1.800 . 5.240 5.072 4.909 5.210 . 0 0 "[ . 1 . 2]" 1
101 1 5 TRP QB 1 45 VAL MG2 1.800 . 4.980 4.773 4.522 4.895 . 0 0 "[ . 1 . 2]" 1
102 1 5 TRP HB3 1 5 TRP HE3 1.800 . 4.090 2.400 2.381 2.430 . 0 0 "[ . 1 . 2]" 1
103 1 5 TRP HB3 1 6 THR H 1.800 . 5.050 3.340 3.172 3.432 . 0 0 "[ . 1 . 2]" 1
104 1 5 TRP HB3 1 9 ALA MB 1.800 . 4.330 2.792 2.585 2.961 . 0 0 "[ . 1 . 2]" 1
105 1 5 TRP HB3 1 10 LYS QB 1.800 . 5.330 4.235 4.008 4.431 . 0 0 "[ . 1 . 2]" 1
106 1 5 TRP HB3 1 10 LYS QD 1.800 . 4.520 3.816 3.143 4.528 0.008 13 0 "[ . 1 . 2]" 1
107 1 5 TRP HB3 1 10 LYS HG3 1.800 . 4.190 2.352 1.979 2.692 . 0 0 "[ . 1 . 2]" 1
108 1 5 TRP HB3 1 10 LYS HG2 1.800 . 4.190 2.751 2.243 3.094 . 0 0 "[ . 1 . 2]" 1
109 1 5 TRP HB3 1 10 LYS H 1.800 . 4.830 3.419 3.363 3.495 . 0 0 "[ . 1 . 2]" 1
110 1 5 TRP HB2 1 5 TRP HE3 1.800 . 4.090 3.923 3.869 3.978 . 0 0 "[ . 1 . 2]" 1
111 1 5 TRP HB2 1 6 THR H 1.800 . 5.050 4.291 4.200 4.348 . 0 0 "[ . 1 . 2]" 1
112 1 5 TRP HB2 1 10 LYS QB 1.800 . 5.330 4.831 4.553 5.065 . 0 0 "[ . 1 . 2]" 1
113 1 5 TRP HB2 1 10 LYS QD 1.800 . 4.520 3.569 2.807 4.493 . 0 0 "[ . 1 . 2]" 1
114 1 5 TRP HB2 1 10 LYS HG3 1.800 . 4.190 3.157 2.984 3.450 . 0 0 "[ . 1 . 2]" 1
115 1 5 TRP HB2 1 10 LYS HG2 1.800 . 4.190 2.990 2.574 3.319 . 0 0 "[ . 1 . 2]" 1
116 1 5 TRP HB2 1 10 LYS H 1.800 . 4.830 4.851 4.724 4.906 0.076 1 0 "[ . 1 . 2]" 1
117 1 5 TRP HE3 1 6 THR H 1.800 . 4.390 4.407 4.335 4.432 0.042 11 0 "[ . 1 . 2]" 1
118 1 5 TRP HE3 1 9 ALA HA 1.800 . 4.800 4.153 3.943 4.347 . 0 0 "[ . 1 . 2]" 1
119 1 5 TRP HE3 1 9 ALA MB 1.800 . 3.060 2.229 2.043 2.423 . 0 0 "[ . 1 . 2]" 1
120 1 5 TRP HE3 1 9 ALA H 1.800 . 5.500 4.947 4.786 5.041 . 0 0 "[ . 1 . 2]" 1
121 1 5 TRP HE3 1 10 LYS HA 1.800 . 3.440 3.058 2.734 3.452 0.012 19 0 "[ . 1 . 2]" 1
122 1 5 TRP HE3 1 10 LYS QB 1.800 . 5.500 4.651 4.278 5.091 . 0 0 "[ . 1 . 2]" 1
123 1 5 TRP HE3 1 10 LYS HG3 1.800 . 5.000 3.689 3.212 4.230 . 0 0 "[ . 1 . 2]" 1
124 1 5 TRP HE3 1 10 LYS HG2 1.800 . 5.000 3.858 3.304 4.468 . 0 0 "[ . 1 . 2]" 1
125 1 5 TRP HE3 1 13 LEU QB 1.800 . 4.900 3.356 3.185 3.483 . 0 0 "[ . 1 . 2]" 1
126 1 5 TRP HE3 1 13 LEU MD2 1.800 . 5.040 3.531 3.398 3.644 . 0 0 "[ . 1 . 2]" 1
127 1 5 TRP HE3 1 28 ILE MD 1.800 . 5.290 4.573 4.249 4.801 . 0 0 "[ . 1 . 2]" 1
128 1 5 TRP HE3 1 40 VAL HB 1.800 . 5.340 5.197 4.707 5.321 . 0 0 "[ . 1 . 2]" 1
129 1 5 TRP HE3 1 40 VAL MG2 1.800 . 3.990 2.859 2.530 3.001 . 0 0 "[ . 1 . 2]" 1
130 1 5 TRP HE3 1 45 VAL MG2 1.800 . 4.780 3.169 2.819 3.304 . 0 0 "[ . 1 . 2]" 1
131 1 5 TRP HH2 1 13 LEU MD1 1.800 . 3.510 2.297 2.084 2.523 . 0 0 "[ . 1 . 2]" 1
132 1 5 TRP HH2 1 13 LEU MD2 1.800 . 3.220 2.913 2.655 3.211 . 0 0 "[ . 1 . 2]" 1
133 1 5 TRP HH2 1 25 LYS HA 1.800 . 3.380 2.338 2.106 2.610 . 0 0 "[ . 1 . 2]" 1
134 1 5 TRP HH2 1 25 LYS QG 1.800 . 4.240 2.800 2.528 2.965 . 0 0 "[ . 1 . 2]" 1
135 1 5 TRP HH2 1 28 ILE HB 1.800 . 4.040 2.738 2.514 2.996 . 0 0 "[ . 1 . 2]" 1
136 1 5 TRP HH2 1 28 ILE MD 1.800 . 3.210 1.865 1.785 2.024 0.015 11 0 "[ . 1 . 2]" 1
137 1 5 TRP HH2 1 28 ILE QG 1.800 . 4.850 3.730 3.601 3.966 . 0 0 "[ . 1 . 2]" 1
138 1 5 TRP HH2 1 28 ILE MG 1.800 . 3.630 2.851 2.723 3.193 . 0 0 "[ . 1 . 2]" 1
139 1 5 TRP HH2 1 28 ILE H 1.800 . 5.500 4.801 4.523 5.151 . 0 0 "[ . 1 . 2]" 1
140 1 5 TRP HH2 1 29 GLU QG 1.800 . 5.210 3.906 3.617 4.242 . 0 0 "[ . 1 . 2]" 1
141 1 5 TRP HH2 1 40 VAL MG2 1.800 . 4.530 4.161 4.097 4.244 . 0 0 "[ . 1 . 2]" 1
142 1 5 TRP H 1 5 TRP HB3 1.800 . 3.900 3.631 3.589 3.689 . 0 0 "[ . 1 . 2]" 1
143 1 5 TRP H 1 5 TRP HB2 1.800 . 3.900 2.411 2.363 2.488 . 0 0 "[ . 1 . 2]" 1
144 1 5 TRP H 1 6 THR MG 1.800 . 5.500 5.358 5.141 5.508 0.008 15 0 "[ . 1 . 2]" 1
145 1 5 TRP H 1 6 THR H 1.800 . 4.530 4.435 4.377 4.494 . 0 0 "[ . 1 . 2]" 1
146 1 5 TRP H 1 9 ALA MB 1.800 . 5.500 5.290 5.088 5.432 . 0 0 "[ . 1 . 2]" 1
147 1 5 TRP H 1 10 LYS QG 1.800 . 4.860 4.660 4.412 4.882 0.022 18 0 "[ . 1 . 2]" 1
148 1 5 TRP HZ2 1 13 LEU MD2 1.800 . 3.650 3.654 3.508 3.693 0.043 3 0 "[ . 1 . 2]" 1
149 1 5 TRP HZ2 1 25 LYS HA 1.800 . 4.810 3.129 2.898 3.664 . 0 0 "[ . 1 . 2]" 1
150 1 5 TRP HZ2 1 25 LYS HE3 1.800 . 4.650 4.485 3.033 4.699 0.049 12 0 "[ . 1 . 2]" 1
151 1 5 TRP HZ2 1 25 LYS HE2 1.800 . 4.520 3.140 2.284 4.588 0.068 11 0 "[ . 1 . 2]" 1
152 1 5 TRP HZ2 1 28 ILE MD 1.800 . 5.450 3.766 3.622 3.917 . 0 0 "[ . 1 . 2]" 1
153 1 5 TRP HZ2 1 28 ILE MG 1.800 . 4.160 3.746 3.567 3.998 . 0 0 "[ . 1 . 2]" 1
154 1 5 TRP HZ2 1 29 GLU HA 1.800 . 5.280 4.987 4.791 5.321 0.041 19 0 "[ . 1 . 2]" 1
155 1 5 TRP HZ2 1 29 GLU HG3 1.800 . 4.280 2.337 2.018 3.176 . 0 0 "[ . 1 . 2]" 1
156 1 5 TRP HZ2 1 29 GLU HG2 1.800 . 4.280 3.160 2.794 3.791 . 0 0 "[ . 1 . 2]" 1
157 1 5 TRP HZ2 1 29 GLU H 1.800 . 5.470 4.007 3.730 4.638 . 0 0 "[ . 1 . 2]" 1
158 1 5 TRP HZ2 1 40 VAL MG1 1.800 . 4.800 4.117 3.924 4.378 . 0 0 "[ . 1 . 2]" 1
159 1 5 TRP HZ2 1 40 VAL MG2 1.800 . 4.720 4.105 3.985 4.332 . 0 0 "[ . 1 . 2]" 1
160 1 5 TRP HZ3 1 9 ALA HA 1.800 . 5.500 4.566 4.343 4.740 . 0 0 "[ . 1 . 2]" 1
161 1 5 TRP HZ3 1 9 ALA MB 1.800 . 3.770 3.213 3.056 3.412 . 0 0 "[ . 1 . 2]" 1
162 1 5 TRP HZ3 1 10 LYS HA 1.800 . 4.900 4.199 3.658 4.880 . 0 0 "[ . 1 . 2]" 1
163 1 5 TRP HZ3 1 13 LEU HB3 1.800 . 4.530 3.764 3.511 4.403 . 0 0 "[ . 1 . 2]" 1
164 1 5 TRP HZ3 1 13 LEU HB2 1.800 . 4.530 2.148 1.974 2.729 . 0 0 "[ . 1 . 2]" 1
165 1 5 TRP HZ3 1 13 LEU MD1 1.800 . 3.770 2.691 2.492 2.877 . 0 0 "[ . 1 . 2]" 1
166 1 5 TRP HZ3 1 13 LEU MD2 1.800 . 4.050 2.829 2.607 3.163 . 0 0 "[ . 1 . 2]" 1
167 1 5 TRP HZ3 1 13 LEU HG 1.800 . 5.200 4.733 4.599 5.080 . 0 0 "[ . 1 . 2]" 1
168 1 5 TRP HZ3 1 28 ILE HB 1.800 . 5.160 4.576 4.295 4.877 . 0 0 "[ . 1 . 2]" 1
169 1 5 TRP HZ3 1 28 ILE MD 1.800 . 3.350 2.586 2.225 2.822 . 0 0 "[ . 1 . 2]" 1
170 1 5 TRP HZ3 1 28 ILE MG 1.800 . 4.290 3.168 2.861 3.551 . 0 0 "[ . 1 . 2]" 1
171 1 5 TRP HZ3 1 40 VAL MG2 1.800 . 4.300 3.607 3.315 3.750 . 0 0 "[ . 1 . 2]" 1
172 1 5 TRP HZ3 1 45 VAL HA 1.800 . 5.410 4.442 3.938 4.679 . 0 0 "[ . 1 . 2]" 1
173 1 5 TRP HZ3 1 45 VAL MG1 1.800 . 4.420 2.768 2.412 2.983 . 0 0 "[ . 1 . 2]" 1
174 1 5 TRP HZ3 1 45 VAL MG2 1.800 . 3.400 2.241 1.875 2.421 . 0 0 "[ . 1 . 2]" 1
175 1 6 THR HA 1 6 THR HB 1.800 . 2.840 2.514 2.410 2.554 . 0 0 "[ . 1 . 2]" 1
176 1 6 THR HA 1 6 THR MG 1.800 . 2.980 2.330 2.276 2.451 . 0 0 "[ . 1 . 2]" 1
177 1 6 THR HA 1 39 ILE MD 1.800 . 6.210 5.955 5.263 6.223 0.013 12 0 "[ . 1 . 2]" 1
178 1 6 THR HA 1 39 ILE MG 1.800 . 4.250 4.062 3.690 4.305 0.055 9 0 "[ . 1 . 2]" 1
179 1 6 THR HB 1 7 SER H 1.800 . 3.940 2.563 2.321 2.701 . 0 0 "[ . 1 . 2]" 1
180 1 6 THR HB 1 8 GLU QB 1.800 . 4.480 3.556 3.168 4.215 . 0 0 "[ . 1 . 2]" 1
181 1 6 THR HB 1 8 GLU QG 1.800 . 4.760 4.317 3.806 4.787 0.027 17 0 "[ . 1 . 2]" 1
182 1 6 THR HB 1 8 GLU H 1.800 . 3.150 2.770 2.585 3.003 . 0 0 "[ . 1 . 2]" 1
183 1 6 THR HB 1 9 ALA MB 1.800 . 4.560 3.914 3.800 4.150 . 0 0 "[ . 1 . 2]" 1
184 1 6 THR HB 1 9 ALA H 1.800 . 3.940 3.292 3.132 3.665 . 0 0 "[ . 1 . 2]" 1
185 1 6 THR HB 1 41 THR MG 1.800 . 5.500 5.010 4.629 5.521 0.021 9 0 "[ . 1 . 2]" 1
186 1 6 THR HB 1 42 PRO HD3 1.800 . 5.380 3.846 3.471 4.207 . 0 0 "[ . 1 . 2]" 1
187 1 6 THR HB 1 42 PRO HD2 1.800 . 5.380 5.010 4.544 5.391 0.011 2 0 "[ . 1 . 2]" 1
188 1 6 THR MG 1 7 SER H 1.800 . 5.230 3.654 3.568 3.921 . 0 0 "[ . 1 . 2]" 1
189 1 6 THR MG 1 8 GLU QB 1.800 . 4.770 4.385 4.147 4.660 . 0 0 "[ . 1 . 2]" 1
190 1 6 THR MG 1 8 GLU H 1.800 . 4.520 4.357 4.222 4.522 0.002 11 0 "[ . 1 . 2]" 1
191 1 6 THR MG 1 39 ILE MD 1.800 . 3.980 3.886 3.661 4.008 0.028 11 0 "[ . 1 . 2]" 1
192 1 6 THR MG 1 39 ILE MG 1.800 . 2.800 2.084 1.925 2.294 . 0 0 "[ . 1 . 2]" 1
193 1 6 THR MG 1 40 VAL HA 1.800 . 5.270 4.941 4.808 5.075 . 0 0 "[ . 1 . 2]" 1
194 1 6 THR MG 1 40 VAL H 1.800 . 3.750 3.774 3.647 3.818 0.068 18 0 "[ . 1 . 2]" 1
195 1 6 THR MG 1 41 THR HA 1.800 . 3.010 3.041 2.989 3.071 0.061 12 0 "[ . 1 . 2]" 1
196 1 6 THR MG 1 41 THR MG 1.800 . 5.000 3.025 2.793 3.335 . 0 0 "[ . 1 . 2]" 1
197 1 6 THR MG 1 41 THR H 1.800 . 5.000 4.801 4.717 4.882 . 0 0 "[ . 1 . 2]" 1
198 1 6 THR MG 1 42 PRO HD3 1.800 . 4.120 3.676 3.255 3.889 . 0 0 "[ . 1 . 2]" 1
199 1 6 THR MG 1 42 PRO HD2 1.800 . 4.120 4.069 3.866 4.166 0.046 8 0 "[ . 1 . 2]" 1
200 1 6 THR H 1 6 THR HB 1.800 . 3.690 3.605 3.588 3.644 . 0 0 "[ . 1 . 2]" 1
201 1 6 THR H 1 6 THR MG 1.800 . 2.860 2.366 2.115 2.481 . 0 0 "[ . 1 . 2]" 1
202 1 6 THR H 1 9 ALA MB 1.800 . 2.990 2.335 2.117 2.482 . 0 0 "[ . 1 . 2]" 1
203 1 6 THR H 1 10 LYS QG 1.800 . 4.560 4.162 3.801 4.317 . 0 0 "[ . 1 . 2]" 1
204 1 6 THR H 1 39 ILE QG 1.800 . 6.500 6.033 5.811 6.558 0.058 19 0 "[ . 1 . 2]" 1
205 1 6 THR H 1 39 ILE MG 1.800 . 6.510 3.558 3.331 3.744 . 0 0 "[ . 1 . 2]" 1
206 1 6 THR H 1 40 VAL MG1 1.800 . 5.250 4.955 4.675 5.193 . 0 0 "[ . 1 . 2]" 1
207 1 6 THR H 1 40 VAL MG2 1.800 . 4.500 2.690 2.588 2.827 . 0 0 "[ . 1 . 2]" 1
208 1 6 THR H 1 40 VAL H 1.800 . 4.110 3.734 3.575 3.999 . 0 0 "[ . 1 . 2]" 1
209 1 6 THR H 1 42 PRO QD 1.800 . 5.000 4.687 4.434 4.877 . 0 0 "[ . 1 . 2]" 1
210 1 7 SER HA 1 10 LYS QB 1.800 . 4.920 2.814 2.526 2.997 . 0 0 "[ . 1 . 2]" 1
211 1 7 SER HA 1 10 LYS QD 1.800 . 4.890 2.241 1.894 2.690 . 0 0 "[ . 1 . 2]" 1
212 1 7 SER HA 1 10 LYS QG 1.800 . 5.250 3.259 2.816 3.701 . 0 0 "[ . 1 . 2]" 1
213 1 7 SER HA 1 10 LYS H 1.800 . 5.200 3.536 3.369 3.654 . 0 0 "[ . 1 . 2]" 1
214 1 7 SER QB 1 8 GLU H 1.800 . 3.650 2.796 2.511 3.400 . 0 0 "[ . 1 . 2]" 1
215 1 7 SER QB 1 9 ALA H 1.800 . 5.500 4.854 4.673 5.203 . 0 0 "[ . 1 . 2]" 1
216 1 7 SER QB 1 10 LYS QD 1.800 . 3.970 3.874 3.627 4.030 0.060 10 0 "[ . 1 . 2]" 1
217 1 7 SER H 1 8 GLU QB 1.800 . 5.340 4.747 4.571 5.059 . 0 0 "[ . 1 . 2]" 1
218 1 8 GLU HA 1 8 GLU QG 1.800 . 3.150 2.538 2.360 2.954 . 0 0 "[ . 1 . 2]" 1
219 1 8 GLU HA 1 11 THR HB 1.800 . 3.660 2.903 2.716 3.206 . 0 0 "[ . 1 . 2]" 1
220 1 8 GLU HA 1 11 THR H 1.800 . 3.830 3.472 3.298 3.637 . 0 0 "[ . 1 . 2]" 1
221 1 8 GLU QB 1 42 PRO QD 1.800 . 4.030 2.378 2.108 3.103 . 0 0 "[ . 1 . 2]" 1
222 1 8 GLU QB 1 42 PRO QG 1.800 . 4.750 2.027 1.833 2.198 . 0 0 "[ . 1 . 2]" 1
223 1 8 GLU HB3 1 9 ALA MB 1.800 . 4.950 4.840 4.649 4.996 0.046 2 0 "[ . 1 . 2]" 1
224 1 8 GLU HB3 1 9 ALA H 1.800 . 4.100 3.673 3.492 3.815 . 0 0 "[ . 1 . 2]" 1
225 1 8 GLU HB3 1 42 PRO QD 1.800 . 4.590 3.504 3.085 4.240 . 0 0 "[ . 1 . 2]" 1
226 1 8 GLU HB2 1 9 ALA MB 1.800 . 4.950 3.966 3.711 4.164 . 0 0 "[ . 1 . 2]" 1
227 1 8 GLU HB2 1 9 ALA H 1.800 . 4.100 2.598 2.454 2.803 . 0 0 "[ . 1 . 2]" 1
228 1 8 GLU HB2 1 42 PRO QD 1.800 . 4.590 2.421 2.131 3.191 . 0 0 "[ . 1 . 2]" 1
229 1 8 GLU QG 1 9 ALA H 1.800 . 4.350 4.210 4.017 4.411 0.061 19 0 "[ . 1 . 2]" 1
230 1 8 GLU QG 1 11 THR HB 1.800 . 5.340 4.937 4.399 5.324 . 0 0 "[ . 1 . 2]" 1
231 1 8 GLU H 1 8 GLU HB3 1.800 . 3.810 3.589 3.568 3.620 . 0 0 "[ . 1 . 2]" 1
232 1 8 GLU H 1 8 GLU HB2 1.800 . 3.810 2.516 2.385 2.860 . 0 0 "[ . 1 . 2]" 1
233 1 8 GLU H 1 8 GLU QG 1.800 . 3.830 2.648 2.093 3.264 . 0 0 "[ . 1 . 2]" 1
234 1 8 GLU H 1 9 ALA MB 1.800 . 4.800 4.276 4.192 4.386 . 0 0 "[ . 1 . 2]" 1
235 1 8 GLU H 1 9 ALA H 1.800 . 3.470 2.594 2.495 2.711 . 0 0 "[ . 1 . 2]" 1
236 1 8 GLU H 1 10 LYS H 1.800 . 4.330 4.149 4.025 4.285 . 0 0 "[ . 1 . 2]" 1
237 1 8 GLU H 1 42 PRO QD 1.800 . 5.280 4.207 4.042 4.542 . 0 0 "[ . 1 . 2]" 1
238 1 9 ALA HA 1 12 LYS QB 1.800 . 3.470 2.401 2.204 2.579 . 0 0 "[ . 1 . 2]" 1
239 1 9 ALA HA 1 12 LYS QG 1.800 . 3.770 3.166 2.889 3.443 . 0 0 "[ . 1 . 2]" 1
240 1 9 ALA HA 1 12 LYS H 1.800 . 3.680 3.327 3.261 3.392 . 0 0 "[ . 1 . 2]" 1
241 1 9 ALA HA 1 40 VAL MG2 1.800 . 5.140 4.328 4.205 4.493 . 0 0 "[ . 1 . 2]" 1
242 1 9 ALA HA 1 42 PRO HA 1.800 . 3.600 2.260 1.963 2.657 . 0 0 "[ . 1 . 2]" 1
243 1 9 ALA HA 1 42 PRO HB3 1.800 . 4.780 2.943 2.472 3.379 . 0 0 "[ . 1 . 2]" 1
244 1 9 ALA HA 1 42 PRO HB2 1.800 . 4.780 4.330 3.953 4.761 . 0 0 "[ . 1 . 2]" 1
245 1 9 ALA HA 1 45 VAL MG2 1.800 . 3.410 2.318 2.130 2.462 . 0 0 "[ . 1 . 2]" 1
246 1 9 ALA MB 1 10 LYS H 1.800 . 3.050 2.467 2.378 2.559 . 0 0 "[ . 1 . 2]" 1
247 1 9 ALA MB 1 12 LYS QB 1.800 . 3.980 3.778 3.650 3.915 . 0 0 "[ . 1 . 2]" 1
248 1 9 ALA MB 1 13 LEU H 1.800 . 4.530 4.436 4.351 4.543 0.013 9 0 "[ . 1 . 2]" 1
249 1 9 ALA MB 1 28 ILE MG 1.800 . 4.500 3.796 3.688 3.990 . 0 0 "[ . 1 . 2]" 1
250 1 9 ALA MB 1 40 VAL MG2 1.800 . 3.070 2.086 1.996 2.198 . 0 0 "[ . 1 . 2]" 1
251 1 9 ALA MB 1 41 THR HA 1.800 . 3.280 3.069 2.872 3.319 0.039 18 0 "[ . 1 . 2]" 1
252 1 9 ALA MB 1 42 PRO HA 1.800 . 3.530 2.969 2.803 3.221 . 0 0 "[ . 1 . 2]" 1
253 1 9 ALA MB 1 42 PRO HD3 1.800 . 4.560 2.897 2.578 3.183 . 0 0 "[ . 1 . 2]" 1
254 1 9 ALA MB 1 42 PRO HD2 1.800 . 4.560 4.080 3.831 4.341 . 0 0 "[ . 1 . 2]" 1
255 1 9 ALA MB 1 42 PRO QG 1.800 . 5.000 4.260 3.124 4.507 . 0 0 "[ . 1 . 2]" 1
256 1 9 ALA MB 1 45 VAL HB 1.800 . 4.590 3.997 3.760 4.303 . 0 0 "[ . 1 . 2]" 1
257 1 9 ALA MB 1 45 VAL MG1 1.800 . 4.740 3.779 3.550 4.030 . 0 0 "[ . 1 . 2]" 1
258 1 9 ALA MB 1 45 VAL MG2 1.800 . 2.780 1.966 1.766 2.243 0.034 20 0 "[ . 1 . 2]" 1
259 1 9 ALA H 1 9 ALA MB 1.800 . 2.710 2.242 2.214 2.263 . 0 0 "[ . 1 . 2]" 1
260 1 9 ALA H 1 10 LYS QB 1.800 . 5.500 4.642 4.537 4.772 . 0 0 "[ . 1 . 2]" 1
261 1 9 ALA H 1 10 LYS H 1.800 . 2.900 2.688 2.585 2.768 . 0 0 "[ . 1 . 2]" 1
262 1 9 ALA H 1 40 VAL MG2 1.800 . 5.390 4.636 4.536 4.764 . 0 0 "[ . 1 . 2]" 1
263 1 9 ALA H 1 42 PRO HD3 1.800 . 4.930 3.059 2.857 3.447 . 0 0 "[ . 1 . 2]" 1
264 1 9 ALA H 1 42 PRO HG3 1.800 . 5.260 4.235 2.841 4.526 . 0 0 "[ . 1 . 2]" 1
265 1 10 LYS HA 1 10 LYS QD 1.800 . 4.250 4.135 3.976 4.250 . 0 0 "[ . 1 . 2]" 1
266 1 10 LYS HA 1 10 LYS QG 1.800 . 3.290 2.456 2.412 2.520 . 0 0 "[ . 1 . 2]" 1
267 1 10 LYS HA 1 12 LYS H 1.800 . 4.860 4.525 4.362 4.622 . 0 0 "[ . 1 . 2]" 1
268 1 10 LYS HA 1 13 LEU HB3 1.800 . 4.150 2.818 2.654 3.066 . 0 0 "[ . 1 . 2]" 1
269 1 10 LYS HA 1 13 LEU HB2 1.800 . 4.150 3.354 2.947 3.670 . 0 0 "[ . 1 . 2]" 1
270 1 10 LYS HA 1 13 LEU MD2 1.800 . 4.190 3.404 3.157 3.709 . 0 0 "[ . 1 . 2]" 1
271 1 10 LYS HA 1 13 LEU H 1.800 . 4.070 3.478 3.309 3.611 . 0 0 "[ . 1 . 2]" 1
272 1 10 LYS QB 1 11 THR H 1.800 . 3.320 2.490 2.304 2.626 . 0 0 "[ . 1 . 2]" 1
273 1 10 LYS QB 1 12 LYS H 1.800 . 5.500 4.697 4.541 4.812 . 0 0 "[ . 1 . 2]" 1
274 1 10 LYS HB3 1 10 LYS QD 1.800 . 3.620 2.741 2.381 3.045 . 0 0 "[ . 1 . 2]" 1
275 1 10 LYS HB2 1 10 LYS QD 1.800 . 3.620 2.357 2.279 2.442 . 0 0 "[ . 1 . 2]" 1
276 1 10 LYS HE3 1 10 LYS QG 1.800 . 4.060 2.692 2.341 3.319 . 0 0 "[ . 1 . 2]" 1
277 1 10 LYS QG 1 13 LEU MD2 1.800 . 5.500 4.198 3.840 4.604 . 0 0 "[ . 1 . 2]" 1
278 1 10 LYS H 1 10 LYS QB 1.800 . 2.940 2.469 2.405 2.546 . 0 0 "[ . 1 . 2]" 1
279 1 10 LYS H 1 10 LYS QD 1.800 . 5.000 3.633 3.400 3.891 . 0 0 "[ . 1 . 2]" 1
280 1 10 LYS H 1 10 LYS HE2 1.800 . 5.500 4.834 4.281 5.162 . 0 0 "[ . 1 . 2]" 1
281 1 10 LYS H 1 10 LYS HG3 1.800 . 4.020 2.133 2.060 2.299 . 0 0 "[ . 1 . 2]" 1
282 1 10 LYS H 1 10 LYS HG2 1.800 . 4.020 3.432 3.265 3.588 . 0 0 "[ . 1 . 2]" 1
283 1 10 LYS H 1 40 VAL MG2 1.800 . 5.480 4.756 4.588 4.943 . 0 0 "[ . 1 . 2]" 1
284 1 10 LYS H 1 45 VAL MG2 1.800 . 5.400 4.566 4.389 4.853 . 0 0 "[ . 1 . 2]" 1
285 1 11 THR HA 1 11 THR MG 1.800 . 3.110 2.357 2.302 2.386 . 0 0 "[ . 1 . 2]" 1
286 1 11 THR HA 1 14 LYS QB 1.800 . 3.710 2.898 2.630 3.181 . 0 0 "[ . 1 . 2]" 1
287 1 11 THR HA 1 14 LYS QD 1.800 . 3.790 2.372 1.980 2.853 . 0 0 "[ . 1 . 2]" 1
288 1 11 THR HA 1 14 LYS QE 1.800 . 4.800 3.680 2.909 4.351 . 0 0 "[ . 1 . 2]" 1
289 1 11 THR HA 1 14 LYS QG 1.800 . 3.900 3.331 2.929 3.780 . 0 0 "[ . 1 . 2]" 1
290 1 11 THR HA 1 14 LYS H 1.800 . 4.130 3.463 3.281 3.601 . 0 0 "[ . 1 . 2]" 1
291 1 11 THR HB 1 12 LYS QB 1.800 . 5.500 4.511 4.334 4.655 . 0 0 "[ . 1 . 2]" 1
292 1 11 THR HB 1 12 LYS QD 1.800 . 5.000 4.758 4.249 5.028 0.028 16 0 "[ . 1 . 2]" 1
293 1 11 THR HB 1 12 LYS QG 1.800 . 4.640 3.491 3.089 3.691 . 0 0 "[ . 1 . 2]" 1
294 1 11 THR HB 1 12 LYS H 1.800 . 3.330 2.561 2.407 2.716 . 0 0 "[ . 1 . 2]" 1
295 1 11 THR MG 1 12 LYS HA 1.800 . 4.120 3.673 3.556 3.805 . 0 0 "[ . 1 . 2]" 1
296 1 11 THR MG 1 12 LYS QG 1.800 . 4.910 4.052 3.818 4.256 . 0 0 "[ . 1 . 2]" 1
297 1 11 THR MG 1 12 LYS H 1.800 . 3.800 3.548 3.438 3.679 . 0 0 "[ . 1 . 2]" 1
298 1 11 THR MG 1 14 LYS H 1.800 . 4.950 4.599 4.408 4.799 . 0 0 "[ . 1 . 2]" 1
299 1 11 THR MG 1 15 ASN QB 1.800 . 5.340 4.581 3.592 5.268 . 0 0 "[ . 1 . 2]" 1
300 1 11 THR MG 1 15 ASN HD21 1.800 . 4.540 3.516 2.551 4.573 0.033 3 0 "[ . 1 . 2]" 1
301 1 11 THR MG 1 15 ASN HD22 1.800 . 4.960 3.186 2.165 5.035 0.075 12 0 "[ . 1 . 2]" 1
302 1 11 THR MG 1 15 ASN H 1.800 . 5.080 4.730 4.337 5.027 . 0 0 "[ . 1 . 2]" 1
303 1 11 THR H 1 11 THR HB 1.800 . 2.800 2.598 2.536 2.682 . 0 0 "[ . 1 . 2]" 1
304 1 11 THR H 1 11 THR MG 1.800 . 4.020 3.758 3.745 3.772 . 0 0 "[ . 1 . 2]" 1
305 1 11 THR H 1 12 LYS H 1.800 . 3.000 2.673 2.572 2.737 . 0 0 "[ . 1 . 2]" 1
306 1 12 LYS HA 1 12 LYS QD 1.800 . 3.030 2.073 1.912 2.210 . 0 0 "[ . 1 . 2]" 1
307 1 12 LYS HA 1 12 LYS QG 1.800 . 3.670 2.715 2.620 2.833 . 0 0 "[ . 1 . 2]" 1
308 1 12 LYS HA 1 14 LYS H 1.800 . 4.780 4.220 4.036 4.460 . 0 0 "[ . 1 . 2]" 1
309 1 12 LYS HA 1 15 ASN QB 1.800 . 3.720 2.781 2.258 3.183 . 0 0 "[ . 1 . 2]" 1
310 1 12 LYS HA 1 15 ASN HD21 1.800 . 4.070 2.780 1.978 4.097 0.027 12 0 "[ . 1 . 2]" 1
311 1 12 LYS HA 1 15 ASN HD22 1.800 . 5.340 3.774 2.482 5.329 . 0 0 "[ . 1 . 2]" 1
312 1 12 LYS HA 1 15 ASN H 1.800 . 3.910 3.408 3.209 3.576 . 0 0 "[ . 1 . 2]" 1
313 1 12 LYS HA 1 45 VAL MG1 1.800 . 4.560 3.865 3.747 4.045 . 0 0 "[ . 1 . 2]" 1
314 1 12 LYS QB 1 12 LYS QD 1.800 . 3.480 2.281 2.198 2.617 . 0 0 "[ . 1 . 2]" 1
315 1 12 LYS QB 1 13 LEU H 1.800 . 4.060 2.646 2.546 2.758 . 0 0 "[ . 1 . 2]" 1
316 1 12 LYS QB 1 16 ILE MD 1.800 . 4.980 4.098 3.638 4.337 . 0 0 "[ . 1 . 2]" 1
317 1 12 LYS HB3 1 12 LYS QE 1.800 . 4.940 3.735 2.083 3.955 . 0 0 "[ . 1 . 2]" 1
318 1 12 LYS HB3 1 15 ASN QB 1.800 . 5.340 4.227 3.919 4.542 . 0 0 "[ . 1 . 2]" 1
319 1 12 LYS HB3 1 45 VAL HB 1.800 . 3.770 2.683 2.213 3.172 . 0 0 "[ . 1 . 2]" 1
320 1 12 LYS HB3 1 45 VAL MG1 1.800 . 3.160 2.178 1.806 2.424 . 0 0 "[ . 1 . 2]" 1
321 1 12 LYS HB3 1 45 VAL MG2 1.800 . 4.450 3.672 3.220 4.006 . 0 0 "[ . 1 . 2]" 1
322 1 12 LYS HB2 1 12 LYS QE 1.800 . 4.940 4.150 3.413 4.259 . 0 0 "[ . 1 . 2]" 1
323 1 12 LYS HB2 1 15 ASN QB 1.800 . 5.340 5.205 4.744 5.383 0.043 13 0 "[ . 1 . 2]" 1
324 1 12 LYS HB2 1 45 VAL HB 1.800 . 3.770 2.824 2.536 3.172 . 0 0 "[ . 1 . 2]" 1
325 1 12 LYS HB2 1 45 VAL MG1 1.800 . 3.160 2.348 2.045 2.604 . 0 0 "[ . 1 . 2]" 1
326 1 12 LYS HB2 1 45 VAL MG2 1.800 . 5.000 2.906 2.665 3.198 . 0 0 "[ . 1 . 2]" 1
327 1 12 LYS QD 1 15 ASN HB3 1.800 . 4.850 4.488 3.329 4.895 0.045 10 0 "[ . 1 . 2]" 1
328 1 12 LYS QD 1 15 ASN HB2 1.800 . 4.850 3.682 3.263 4.024 . 0 0 "[ . 1 . 2]" 1
329 1 12 LYS QD 1 15 ASN HD21 1.800 . 4.220 3.387 2.055 4.319 0.099 8 0 "[ . 1 . 2]" 1
330 1 12 LYS QD 1 15 ASN HD22 1.800 . 5.200 4.022 2.460 5.029 . 0 0 "[ . 1 . 2]" 1
331 1 12 LYS QD 1 15 ASN H 1.800 . 5.220 4.955 4.608 5.229 0.009 2 0 "[ . 1 . 2]" 1
332 1 12 LYS QD 1 42 PRO QB 1.800 . 4.530 3.776 3.318 4.095 . 0 0 "[ . 1 . 2]" 1
333 1 12 LYS QD 1 45 VAL MG1 1.800 . 4.300 3.782 3.259 4.365 0.065 10 0 "[ . 1 . 2]" 1
334 1 12 LYS QE 1 42 PRO HA 1.800 . 4.730 4.371 3.791 4.758 0.028 12 0 "[ . 1 . 2]" 1
335 1 12 LYS QE 1 42 PRO HB3 1.800 . 3.870 3.527 3.051 3.891 0.021 7 0 "[ . 1 . 2]" 1
336 1 12 LYS QE 1 42 PRO HB2 1.800 . 3.870 2.805 2.329 3.873 0.003 8 0 "[ . 1 . 2]" 1
337 1 12 LYS QE 1 42 PRO QG 1.800 . 4.560 4.222 3.808 4.614 0.054 6 0 "[ . 1 . 2]" 1
338 1 12 LYS QE 1 46 GLU QB 1.800 . 5.000 3.270 2.109 3.909 . 0 0 "[ . 1 . 2]" 1
339 1 12 LYS QE 1 12 LYS QG 1.800 . 2.950 2.137 2.110 2.244 . 0 0 "[ . 1 . 2]" 1
340 1 12 LYS QG 1 42 PRO HA 1.800 . 3.630 2.709 2.447 3.032 . 0 0 "[ . 1 . 2]" 1
341 1 12 LYS QG 1 42 PRO QB 1.800 . 3.490 2.111 1.774 2.310 0.026 6 0 "[ . 1 . 2]" 1
342 1 12 LYS QG 1 45 VAL HB 1.800 . 3.770 3.196 2.908 3.608 . 0 0 "[ . 1 . 2]" 1
343 1 12 LYS QG 1 45 VAL MG1 1.800 . 4.060 3.631 3.480 3.866 . 0 0 "[ . 1 . 2]" 1
344 1 12 LYS QG 1 45 VAL MG2 1.800 . 4.320 3.869 3.630 4.220 . 0 0 "[ . 1 . 2]" 1
345 1 12 LYS QG 1 46 GLU QB 1.800 . 5.290 3.796 3.243 4.306 . 0 0 "[ . 1 . 2]" 1
346 1 12 LYS H 1 12 LYS HB3 1.800 . 3.670 3.561 3.520 3.595 . 0 0 "[ . 1 . 2]" 1
347 1 12 LYS H 1 12 LYS HB2 1.800 . 3.670 2.337 2.229 2.461 . 0 0 "[ . 1 . 2]" 1
348 1 12 LYS H 1 12 LYS QD 1.800 . 4.430 3.856 3.660 4.028 . 0 0 "[ . 1 . 2]" 1
349 1 12 LYS H 1 12 LYS QE 1.800 . 4.890 4.677 4.380 4.896 0.006 12 0 "[ . 1 . 2]" 1
350 1 12 LYS H 1 12 LYS QG 1.800 . 3.150 2.487 2.253 2.743 . 0 0 "[ . 1 . 2]" 1
351 1 12 LYS H 1 13 LEU H 1.800 . 3.060 2.673 2.550 2.801 . 0 0 "[ . 1 . 2]" 1
352 1 12 LYS H 1 45 VAL MG1 1.800 . 5.500 4.010 3.837 4.203 . 0 0 "[ . 1 . 2]" 1
353 1 12 LYS H 1 45 VAL MG2 1.800 . 5.400 4.472 4.345 4.636 . 0 0 "[ . 1 . 2]" 1
354 1 13 LEU HA 1 13 LEU MD1 1.800 . 2.850 2.045 1.984 2.092 . 0 0 "[ . 1 . 2]" 1
355 1 13 LEU HA 1 13 LEU MD2 1.800 . 3.900 3.878 3.864 3.895 . 0 0 "[ . 1 . 2]" 1
356 1 13 LEU HA 1 13 LEU HG 1.800 . 3.800 3.107 3.012 3.157 . 0 0 "[ . 1 . 2]" 1
357 1 13 LEU HA 1 15 ASN H 1.800 . 4.690 3.800 3.590 4.045 . 0 0 "[ . 1 . 2]" 1
358 1 13 LEU HA 1 16 ILE MD 1.800 . 3.360 2.376 2.162 2.857 . 0 0 "[ . 1 . 2]" 1
359 1 13 LEU HA 1 16 ILE QG 1.800 . 4.620 2.710 2.524 3.031 . 0 0 "[ . 1 . 2]" 1
360 1 13 LEU HA 1 16 ILE H 1.800 . 3.770 3.557 3.437 3.666 . 0 0 "[ . 1 . 2]" 1
361 1 13 LEU HA 1 28 ILE MD 1.800 . 4.790 3.688 3.477 3.872 . 0 0 "[ . 1 . 2]" 1
362 1 13 LEU HA 1 45 VAL HA 1.800 . 5.500 5.469 5.372 5.555 0.055 16 0 "[ . 1 . 2]" 1
363 1 13 LEU HA 1 45 VAL MG1 1.800 . 3.210 2.485 2.403 2.592 . 0 0 "[ . 1 . 2]" 1
364 1 13 LEU QB 1 14 LYS QE 1.800 . 4.550 4.486 4.270 4.627 0.077 16 0 "[ . 1 . 2]" 1
365 1 13 LEU QB 1 14 LYS H 1.800 . 3.890 2.651 2.476 2.763 . 0 0 "[ . 1 . 2]" 1
366 1 13 LEU QB 1 21 ARG QD 1.800 . 5.410 4.030 3.467 4.615 . 0 0 "[ . 1 . 2]" 1
367 1 13 LEU QB 1 45 VAL MG1 1.800 . 3.140 2.755 2.357 3.040 . 0 0 "[ . 1 . 2]" 1
368 1 13 LEU QB 1 45 VAL MG2 1.800 . 5.070 3.382 3.239 3.561 . 0 0 "[ . 1 . 2]" 1
369 1 13 LEU HB3 1 13 LEU MD1 1.800 . 3.370 3.199 3.194 3.205 . 0 0 "[ . 1 . 2]" 1
370 1 13 LEU HB3 1 13 LEU MD2 1.800 . 3.510 2.316 2.291 2.359 . 0 0 "[ . 1 . 2]" 1
371 1 13 LEU HB2 1 13 LEU MD1 1.800 . 3.370 2.366 2.337 2.393 . 0 0 "[ . 1 . 2]" 1
372 1 13 LEU HB2 1 13 LEU MD2 1.800 . 3.510 2.398 2.370 2.422 . 0 0 "[ . 1 . 2]" 1
373 1 13 LEU MD1 1 14 LYS H 1.800 . 4.620 4.553 4.486 4.646 0.026 14 0 "[ . 1 . 2]" 1
374 1 13 LEU MD1 1 16 ILE HB 1.800 . 3.880 3.036 2.709 3.305 . 0 0 "[ . 1 . 2]" 1
375 1 13 LEU MD1 1 16 ILE H 1.800 . 4.920 4.281 4.107 4.492 . 0 0 "[ . 1 . 2]" 1
376 1 13 LEU MD1 1 21 ARG HA 1.800 . 3.830 3.333 2.929 3.556 . 0 0 "[ . 1 . 2]" 1
377 1 13 LEU MD1 1 21 ARG QB 1.800 . 4.730 3.773 2.779 4.275 . 0 0 "[ . 1 . 2]" 1
378 1 13 LEU MD1 1 21 ARG QD 1.800 . 4.050 3.170 2.615 3.599 . 0 0 "[ . 1 . 2]" 1
379 1 13 LEU MD1 1 22 SER HA 1.800 . 5.500 4.570 4.041 5.082 . 0 0 "[ . 1 . 2]" 1
380 1 13 LEU MD1 1 24 ALA MB 1.800 . 3.620 3.027 2.698 3.425 . 0 0 "[ . 1 . 2]" 1
381 1 13 LEU MD1 1 24 ALA H 1.800 . 5.270 4.820 4.519 5.170 . 0 0 "[ . 1 . 2]" 1
382 1 13 LEU MD1 1 25 LYS HA 1.800 . 3.990 2.987 2.684 3.245 . 0 0 "[ . 1 . 2]" 1
383 1 13 LEU MD1 1 25 LYS QB 1.800 . 3.280 2.356 1.842 2.684 . 0 0 "[ . 1 . 2]" 1
384 1 13 LEU MD1 1 25 LYS HE2 1.800 . 6.150 5.140 4.684 5.423 . 0 0 "[ . 1 . 2]" 1
385 1 13 LEU MD1 1 25 LYS H 1.800 . 3.740 3.252 2.984 3.625 . 0 0 "[ . 1 . 2]" 1
386 1 13 LEU MD1 1 28 ILE MD 1.800 . 3.440 2.189 2.037 2.388 . 0 0 "[ . 1 . 2]" 1
387 1 13 LEU MD1 1 45 VAL MG2 1.800 . 4.660 3.758 3.555 3.901 . 0 0 "[ . 1 . 2]" 1
388 1 13 LEU MD2 1 14 LYS QE 1.800 . 5.080 4.762 4.317 5.122 0.042 3 0 "[ . 1 . 2]" 1
389 1 13 LEU MD2 1 14 LYS QG 1.800 . 4.350 4.033 3.692 4.322 . 0 0 "[ . 1 . 2]" 1
390 1 13 LEU MD2 1 14 LYS H 1.800 . 4.730 4.446 4.199 4.597 . 0 0 "[ . 1 . 2]" 1
391 1 13 LEU MD2 1 21 ARG HA 1.800 . 5.500 5.257 4.725 5.517 0.017 19 0 "[ . 1 . 2]" 1
392 1 13 LEU MD2 1 21 ARG QD 1.800 . 4.150 3.451 2.758 4.041 . 0 0 "[ . 1 . 2]" 1
393 1 13 LEU MD2 1 25 LYS HD3 1.800 . 4.640 4.008 2.701 4.530 . 0 0 "[ . 1 . 2]" 1
394 1 13 LEU MD2 1 25 LYS HD2 1.800 . 4.640 2.588 1.914 3.033 . 0 0 "[ . 1 . 2]" 1
395 1 13 LEU MD2 1 25 LYS HE3 1.800 . 4.310 4.192 2.886 4.462 0.152 14 0 "[ . 1 . 2]" 1
396 1 13 LEU MD2 1 25 LYS HE2 1.800 . 4.380 3.771 3.274 4.115 . 0 0 "[ . 1 . 2]" 1
397 1 13 LEU MD2 1 25 LYS QG 1.800 . 3.670 3.222 2.720 3.579 . 0 0 "[ . 1 . 2]" 1
398 1 13 LEU MD2 1 25 LYS H 1.800 . 5.500 4.823 4.560 5.269 . 0 0 "[ . 1 . 2]" 1
399 1 13 LEU MD2 1 28 ILE MD 1.800 . 4.350 3.665 3.449 3.869 . 0 0 "[ . 1 . 2]" 1
400 1 13 LEU MD2 1 40 VAL MG2 1.800 . 4.830 4.813 4.680 4.883 0.053 2 0 "[ . 1 . 2]" 1
401 1 13 LEU MD2 1 45 VAL MG2 1.800 . 4.710 4.374 4.229 4.528 . 0 0 "[ . 1 . 2]" 1
402 1 13 LEU HG 1 14 LYS H 1.800 . 4.780 3.985 3.762 4.206 . 0 0 "[ . 1 . 2]" 1
403 1 13 LEU HG 1 21 ARG QD 1.800 . 3.790 2.372 1.786 2.980 0.014 14 0 "[ . 1 . 2]" 1
404 1 13 LEU H 1 13 LEU HB3 1.800 . 2.920 2.544 2.494 2.627 . 0 0 "[ . 1 . 2]" 1
405 1 13 LEU H 1 13 LEU HB2 1.800 . 2.920 2.476 2.427 2.534 . 0 0 "[ . 1 . 2]" 1
406 1 13 LEU H 1 13 LEU MD1 1.800 . 4.460 4.051 3.989 4.102 . 0 0 "[ . 1 . 2]" 1
407 1 13 LEU H 1 13 LEU MD2 1.800 . 4.280 4.255 4.220 4.290 0.010 11 0 "[ . 1 . 2]" 1
408 1 13 LEU H 1 13 LEU HG 1.800 . 4.620 4.500 4.475 4.532 . 0 0 "[ . 1 . 2]" 1
409 1 13 LEU H 1 14 LYS HA 1.800 . 5.500 5.262 5.218 5.305 . 0 0 "[ . 1 . 2]" 1
410 1 13 LEU H 1 14 LYS H 1.800 . 3.110 2.637 2.580 2.686 . 0 0 "[ . 1 . 2]" 1
411 1 13 LEU H 1 15 ASN H 1.800 . 4.470 3.943 3.717 4.031 . 0 0 "[ . 1 . 2]" 1
412 1 13 LEU H 1 16 ILE MD 1.800 . 5.820 4.636 4.363 4.930 . 0 0 "[ . 1 . 2]" 1
413 1 13 LEU H 1 45 VAL HB 1.800 . 5.050 4.731 4.473 5.054 0.004 10 0 "[ . 1 . 2]" 1
414 1 13 LEU H 1 45 VAL MG1 1.800 . 3.440 2.620 2.421 2.820 . 0 0 "[ . 1 . 2]" 1
415 1 13 LEU H 1 45 VAL MG2 1.800 . 3.950 3.713 3.532 3.904 . 0 0 "[ . 1 . 2]" 1
416 1 14 LYS HA 1 14 LYS QD 1.800 . 4.230 4.040 4.006 4.077 . 0 0 "[ . 1 . 2]" 1
417 1 14 LYS HA 1 14 LYS QG 1.800 . 3.330 2.448 2.370 2.506 . 0 0 "[ . 1 . 2]" 1
418 1 14 LYS HA 1 16 ILE H 1.800 . 4.220 3.650 3.437 3.869 . 0 0 "[ . 1 . 2]" 1
419 1 14 LYS HA 1 21 ARG QD 1.800 . 3.740 2.848 2.336 3.552 . 0 0 "[ . 1 . 2]" 1
420 1 14 LYS QB 1 14 LYS QE 1.800 . 4.490 3.559 3.519 3.657 . 0 0 "[ . 1 . 2]" 1
421 1 14 LYS QB 1 15 ASN H 1.800 . 3.520 3.088 2.831 3.314 . 0 0 "[ . 1 . 2]" 1
422 1 14 LYS QD 1 15 ASN H 1.800 . 5.500 5.094 4.792 5.322 . 0 0 "[ . 1 . 2]" 1
423 1 14 LYS QE 1 14 LYS QG 1.800 . 3.490 2.179 2.119 2.315 . 0 0 "[ . 1 . 2]" 1
424 1 14 LYS QG 1 15 ASN H 1.800 . 4.700 4.246 4.107 4.397 . 0 0 "[ . 1 . 2]" 1
425 1 14 LYS H 1 14 LYS QB 1.800 . 2.840 2.413 2.337 2.490 . 0 0 "[ . 1 . 2]" 1
426 1 14 LYS H 1 14 LYS QD 1.800 . 4.380 3.682 3.561 3.783 . 0 0 "[ . 1 . 2]" 1
427 1 14 LYS H 1 14 LYS QE 1.800 . 4.900 4.308 4.080 4.663 . 0 0 "[ . 1 . 2]" 1
428 1 14 LYS H 1 14 LYS QG 1.800 . 3.250 2.253 2.068 2.446 . 0 0 "[ . 1 . 2]" 1
429 1 14 LYS H 1 15 ASN QB 1.800 . 4.860 4.475 4.192 4.743 . 0 0 "[ . 1 . 2]" 1
430 1 14 LYS H 1 45 VAL MG1 1.800 . 5.280 4.581 4.418 4.718 . 0 0 "[ . 1 . 2]" 1
431 1 15 ASN QB 1 16 ILE H 1.800 . 3.590 3.146 2.846 3.442 . 0 0 "[ . 1 . 2]" 1
432 1 15 ASN QB 1 45 VAL MG1 1.800 . 5.140 4.568 4.175 4.983 . 0 0 "[ . 1 . 2]" 1
433 1 15 ASN H 1 15 ASN QB 1.800 . 2.790 2.314 2.208 2.487 . 0 0 "[ . 1 . 2]" 1
434 1 15 ASN H 1 16 ILE MD 1.800 . 5.310 4.795 4.596 5.161 . 0 0 "[ . 1 . 2]" 1
435 1 15 ASN H 1 16 ILE QG 1.800 . 4.970 3.529 3.327 3.767 . 0 0 "[ . 1 . 2]" 1
436 1 15 ASN H 1 16 ILE H 1.800 . 2.810 2.352 2.241 2.483 . 0 0 "[ . 1 . 2]" 1
437 1 15 ASN H 1 45 VAL MG1 1.800 . 4.980 4.708 4.517 4.905 . 0 0 "[ . 1 . 2]" 1
438 1 16 ILE HA 1 16 ILE MD 1.800 . 4.420 3.836 3.701 3.871 . 0 0 "[ . 1 . 2]" 1
439 1 16 ILE HA 1 16 ILE HG13 1.800 . 3.720 3.089 3.010 3.194 . 0 0 "[ . 1 . 2]" 1
440 1 16 ILE HA 1 16 ILE HG12 1.800 . 3.720 2.546 2.374 2.624 . 0 0 "[ . 1 . 2]" 1
441 1 16 ILE HA 1 16 ILE MG 1.800 . 3.350 2.390 2.322 2.456 . 0 0 "[ . 1 . 2]" 1
442 1 16 ILE HA 1 17 PRO HD3 1.800 . 3.160 2.157 1.964 2.561 . 0 0 "[ . 1 . 2]" 1
443 1 16 ILE HA 1 17 PRO HD2 1.800 . 3.160 2.337 1.948 2.606 . 0 0 "[ . 1 . 2]" 1
444 1 16 ILE HB 1 16 ILE MD 1.800 . 3.290 2.450 2.420 2.586 . 0 0 "[ . 1 . 2]" 1
445 1 16 ILE HB 1 21 ARG HA 1.800 . 4.190 3.073 2.722 3.639 . 0 0 "[ . 1 . 2]" 1
446 1 16 ILE HB 1 21 ARG QG 1.800 . 3.530 2.709 1.890 3.560 0.030 9 0 "[ . 1 . 2]" 1
447 1 16 ILE MD 1 21 ARG HA 1.800 . 4.270 3.516 2.986 3.965 . 0 0 "[ . 1 . 2]" 1
448 1 16 ILE MD 1 24 ALA MB 1.800 . 2.960 2.098 1.936 2.399 . 0 0 "[ . 1 . 2]" 1
449 1 16 ILE MD 1 24 ALA H 1.800 . 5.170 4.599 4.424 4.996 . 0 0 "[ . 1 . 2]" 1
450 1 16 ILE MD 1 25 LYS H 1.800 . 5.400 4.378 4.058 5.067 . 0 0 "[ . 1 . 2]" 1
451 1 16 ILE MD 1 45 VAL HA 1.800 . 4.560 3.861 3.634 4.105 . 0 0 "[ . 1 . 2]" 1
452 1 16 ILE MD 1 45 VAL HB 1.800 . 4.740 4.536 4.236 4.730 . 0 0 "[ . 1 . 2]" 1
453 1 16 ILE MD 1 45 VAL MG1 1.800 . 2.680 2.208 1.941 2.429 . 0 0 "[ . 1 . 2]" 1
454 1 16 ILE MD 1 45 VAL MG2 1.800 . 4.430 4.242 4.006 4.454 0.024 8 0 "[ . 1 . 2]" 1
455 1 16 ILE MD 1 46 GLU HA 1.800 . 5.550 4.172 3.649 4.704 . 0 0 "[ . 1 . 2]" 1
456 1 16 ILE MD 1 49 ARG HA 1.800 . 4.390 3.454 3.153 3.654 . 0 0 "[ . 1 . 2]" 1
457 1 16 ILE MD 1 49 ARG QB 1.800 . 3.970 2.410 2.056 2.817 . 0 0 "[ . 1 . 2]" 1
458 1 16 ILE MD 1 49 ARG HD3 1.800 . 5.220 4.145 2.784 5.229 0.009 6 0 "[ . 1 . 2]" 1
459 1 16 ILE MD 1 49 ARG HD2 1.800 . 5.220 3.959 2.379 5.059 . 0 0 "[ . 1 . 2]" 1
460 1 16 ILE MD 1 49 ARG QG 1.800 . 3.480 3.390 2.934 3.600 0.120 17 0 "[ . 1 . 2]" 1
461 1 16 ILE MD 1 49 ARG H 1.800 . 4.340 3.727 3.345 3.947 . 0 0 "[ . 1 . 2]" 1
462 1 16 ILE QG 1 17 PRO HD3 1.800 . 4.700 4.209 3.846 4.623 . 0 0 "[ . 1 . 2]" 1
463 1 16 ILE QG 1 17 PRO HD2 1.800 . 4.700 3.839 3.411 4.104 . 0 0 "[ . 1 . 2]" 1
464 1 16 ILE QG 1 21 ARG QD 1.800 . 5.060 4.701 4.226 5.140 0.080 17 0 "[ . 1 . 2]" 1
465 1 16 ILE QG 1 49 ARG HD3 1.800 . 5.500 3.130 1.754 4.554 0.046 5 0 "[ . 1 . 2]" 1
466 1 16 ILE QG 1 49 ARG HD2 1.800 . 5.500 2.824 1.866 4.315 . 0 0 "[ . 1 . 2]" 1
467 1 16 ILE HG13 1 16 ILE MG 1.800 . 4.020 3.205 3.198 3.209 . 0 0 "[ . 1 . 2]" 1
468 1 16 ILE HG12 1 16 ILE MG 1.800 . 4.020 2.408 2.367 2.547 . 0 0 "[ . 1 . 2]" 1
469 1 16 ILE MG 1 17 PRO HA 1.800 . 5.020 4.274 4.163 4.350 . 0 0 "[ . 1 . 2]" 1
470 1 16 ILE MG 1 17 PRO HD3 1.800 . 3.570 3.251 2.988 3.516 . 0 0 "[ . 1 . 2]" 1
471 1 16 ILE MG 1 17 PRO HD2 1.800 . 3.570 2.081 1.934 2.325 . 0 0 "[ . 1 . 2]" 1
472 1 16 ILE MG 1 20 ALA MB 1.800 . 3.060 2.657 2.275 2.953 . 0 0 "[ . 1 . 2]" 1
473 1 16 ILE MG 1 20 ALA H 1.800 . 4.780 3.689 3.431 4.009 . 0 0 "[ . 1 . 2]" 1
474 1 16 ILE MG 1 21 ARG HA 1.800 . 3.350 2.356 2.003 2.847 . 0 0 "[ . 1 . 2]" 1
475 1 16 ILE MG 1 21 ARG QB 1.800 . 4.980 3.333 2.676 4.249 . 0 0 "[ . 1 . 2]" 1
476 1 16 ILE MG 1 21 ARG QD 1.800 . 5.090 4.063 3.243 4.743 . 0 0 "[ . 1 . 2]" 1
477 1 16 ILE MG 1 21 ARG QG 1.800 . 3.920 3.211 2.311 3.928 0.008 17 0 "[ . 1 . 2]" 1
478 1 16 ILE MG 1 21 ARG H 1.800 . 4.470 3.437 3.011 3.770 . 0 0 "[ . 1 . 2]" 1
479 1 16 ILE MG 1 24 ALA MB 1.800 . 3.370 2.244 2.033 2.454 . 0 0 "[ . 1 . 2]" 1
480 1 16 ILE MG 1 24 ALA H 1.800 . 5.380 3.933 3.692 4.308 . 0 0 "[ . 1 . 2]" 1
481 1 16 ILE MG 1 25 LYS H 1.800 . 5.090 4.682 4.433 5.103 0.013 17 0 "[ . 1 . 2]" 1
482 1 16 ILE MG 1 49 ARG QB 1.800 . 4.300 3.705 3.387 4.312 0.012 7 0 "[ . 1 . 2]" 1
483 1 16 ILE H 1 16 ILE HB 1.800 . 2.690 2.527 2.439 2.626 . 0 0 "[ . 1 . 2]" 1
484 1 16 ILE H 1 16 ILE MD 1.800 . 4.270 3.693 3.515 3.961 . 0 0 "[ . 1 . 2]" 1
485 1 16 ILE H 1 16 ILE HG13 1.800 . 3.850 2.277 2.023 2.513 . 0 0 "[ . 1 . 2]" 1
486 1 16 ILE H 1 16 ILE HG12 1.800 . 3.850 3.480 3.314 3.629 . 0 0 "[ . 1 . 2]" 1
487 1 16 ILE H 1 16 ILE MG 1.800 . 4.070 3.786 3.761 3.814 . 0 0 "[ . 1 . 2]" 1
488 1 16 ILE H 1 21 ARG QD 1.800 . 4.670 3.881 3.261 4.736 0.066 19 0 "[ . 1 . 2]" 1
489 1 16 ILE H 1 21 ARG QG 1.800 . 4.850 4.317 3.431 4.873 0.023 17 0 "[ . 1 . 2]" 1
490 1 16 ILE H 1 45 VAL MG1 1.800 . 4.830 4.823 4.513 4.919 0.089 9 0 "[ . 1 . 2]" 1
491 1 17 PRO HA 1 18 PHE H 1.800 . 3.170 2.183 2.146 2.235 . 0 0 "[ . 1 . 2]" 1
492 1 17 PRO HA 1 20 ALA MB 1.800 . 5.280 5.188 4.767 5.375 0.095 13 0 "[ . 1 . 2]" 1
493 1 17 PRO HA 1 20 ALA H 1.800 . 5.020 4.718 4.610 4.787 . 0 0 "[ . 1 . 2]" 1
494 1 17 PRO QB 1 18 PHE H 1.800 . 4.040 3.140 2.919 3.295 . 0 0 "[ . 1 . 2]" 1
495 1 17 PRO QB 1 19 PHE QD 1.800 . 4.360 3.833 2.641 4.440 0.080 20 0 "[ . 1 . 2]" 1
496 1 17 PRO QB 1 19 PHE H 1.800 . 5.080 3.045 2.559 3.434 . 0 0 "[ . 1 . 2]" 1
497 1 17 PRO QB 1 20 ALA MB 1.800 . 4.280 3.099 2.372 3.797 . 0 0 "[ . 1 . 2]" 1
498 1 17 PRO HB3 1 20 ALA H 1.800 . 4.990 4.404 3.927 4.964 . 0 0 "[ . 1 . 2]" 1
499 1 17 PRO HB2 1 20 ALA H 1.800 . 4.990 2.935 2.475 3.344 . 0 0 "[ . 1 . 2]" 1
500 1 17 PRO HD3 1 20 ALA MB 1.800 . 4.930 4.841 4.468 4.982 0.052 5 0 "[ . 1 . 2]" 1
501 1 17 PRO HD3 1 49 ARG QG 1.800 . 5.460 4.379 3.662 5.510 0.050 8 0 "[ . 1 . 2]" 1
502 1 17 PRO HD2 1 20 ALA MB 1.800 . 4.930 3.398 2.944 3.831 . 0 0 "[ . 1 . 2]" 1
503 1 17 PRO HD2 1 49 ARG QG 1.800 . 5.460 3.904 3.192 4.997 . 0 0 "[ . 1 . 2]" 1
504 1 17 PRO QG 1 18 PHE H 1.800 . 5.000 4.629 4.511 4.733 . 0 0 "[ . 1 . 2]" 1
505 1 17 PRO QG 1 20 ALA MB 1.800 . 4.120 3.378 2.311 3.892 . 0 0 "[ . 1 . 2]" 1
506 1 17 PRO QG 1 20 ALA H 1.800 . 5.000 4.356 3.199 4.914 . 0 0 "[ . 1 . 2]" 1
507 1 18 PHE HA 1 20 ALA H 1.800 . 5.430 3.986 3.721 4.697 . 0 0 "[ . 1 . 2]" 1
508 1 18 PHE HA 1 21 ARG HB3 1.800 . 4.210 2.987 1.888 4.015 . 0 0 "[ . 1 . 2]" 1
509 1 18 PHE HA 1 21 ARG HB2 1.800 . 4.210 2.527 2.040 2.978 . 0 0 "[ . 1 . 2]" 1
510 1 18 PHE HA 1 21 ARG QG 1.800 . 4.400 3.344 1.776 4.415 0.024 16 0 "[ . 1 . 2]" 1
511 1 18 PHE HA 1 21 ARG H 1.800 . 4.930 3.207 2.920 3.704 . 0 0 "[ . 1 . 2]" 1
512 1 18 PHE QB 1 19 PHE H 1.800 . 4.320 2.929 2.471 3.600 . 0 0 "[ . 1 . 2]" 1
513 1 18 PHE QB 1 21 ARG HB3 1.800 . 5.480 4.730 3.517 5.570 0.090 4 0 "[ . 1 . 2]" 1
514 1 18 PHE QB 1 21 ARG HB2 1.800 . 5.480 4.394 3.915 4.907 . 0 0 "[ . 1 . 2]" 1
515 1 18 PHE QD 1 19 PHE HA 1.800 . 5.370 3.370 3.160 3.692 . 0 0 "[ . 1 . 2]" 1
516 1 18 PHE QD 1 19 PHE H 1.800 . 3.870 3.408 3.144 3.603 . 0 0 "[ . 1 . 2]" 1
517 1 18 PHE QE 1 19 PHE HA 1.800 . 4.480 4.396 4.022 4.517 0.037 6 0 "[ . 1 . 2]" 1
518 1 18 PHE H 1 18 PHE HB3 1.800 . 3.690 2.483 2.150 2.592 . 0 0 "[ . 1 . 2]" 1
519 1 18 PHE H 1 18 PHE HB2 1.800 . 3.690 2.875 2.444 3.612 . 0 0 "[ . 1 . 2]" 1
520 1 18 PHE H 1 19 PHE H 1.800 . 5.340 2.812 2.669 2.962 . 0 0 "[ . 1 . 2]" 1
521 1 18 PHE H 1 20 ALA H 1.800 . 4.650 4.295 4.154 4.537 . 0 0 "[ . 1 . 2]" 1
522 1 19 PHE HA 1 19 PHE QD 1.800 . 5.500 2.763 2.473 3.745 . 0 0 "[ . 1 . 2]" 1
523 1 19 PHE HA 1 20 ALA MB 1.800 . 5.070 4.832 4.688 5.007 . 0 0 "[ . 1 . 2]" 1
524 1 19 PHE HA 1 21 ARG H 1.800 . 4.610 4.182 3.933 4.513 . 0 0 "[ . 1 . 2]" 1
525 1 19 PHE QB 1 20 ALA MB 1.800 . 5.390 3.578 3.364 4.278 . 0 0 "[ . 1 . 2]" 1
526 1 19 PHE HB3 1 20 ALA H 1.800 . 5.250 3.345 2.620 4.266 . 0 0 "[ . 1 . 2]" 1
527 1 19 PHE HB2 1 20 ALA H 1.800 . 5.250 3.724 2.954 4.173 . 0 0 "[ . 1 . 2]" 1
528 1 19 PHE H 1 20 ALA H 1.800 . 3.830 2.676 2.570 2.753 . 0 0 "[ . 1 . 2]" 1
529 1 19 PHE H 1 21 ARG H 1.800 . 4.820 3.917 3.700 4.130 . 0 0 "[ . 1 . 2]" 1
530 1 20 ALA HA 1 22 SER QB 1.800 . 5.500 5.040 4.603 5.541 0.041 15 0 "[ . 1 . 2]" 1
531 1 20 ALA HA 1 23 GLN QB 1.800 . 3.950 2.600 2.275 2.907 . 0 0 "[ . 1 . 2]" 1
532 1 20 ALA HA 1 23 GLN QG 1.800 . 4.560 4.341 3.865 4.634 0.074 19 0 "[ . 1 . 2]" 1
533 1 20 ALA HA 1 23 GLN H 1.800 . 4.470 3.307 2.976 3.498 . 0 0 "[ . 1 . 2]" 1
534 1 20 ALA MB 1 21 ARG H 1.800 . 3.790 3.339 3.098 3.504 . 0 0 "[ . 1 . 2]" 1
535 1 20 ALA MB 1 23 GLN QE 1.800 . 5.340 4.388 2.718 5.417 0.077 1 0 "[ . 1 . 2]" 1
536 1 20 ALA MB 1 23 GLN H 1.800 . 5.420 4.348 4.167 4.562 . 0 0 "[ . 1 . 2]" 1
537 1 20 ALA MB 1 24 ALA HA 1.800 . 5.500 4.972 4.555 5.301 . 0 0 "[ . 1 . 2]" 1
538 1 20 ALA MB 1 24 ALA MB 1.800 . 3.780 3.337 2.874 3.670 . 0 0 "[ . 1 . 2]" 1
539 1 20 ALA MB 1 24 ALA H 1.800 . 4.150 3.716 3.320 4.101 . 0 0 "[ . 1 . 2]" 1
540 1 20 ALA MB 1 52 PHE HB3 1.800 . 5.110 3.904 3.326 4.563 . 0 0 "[ . 1 . 2]" 1
541 1 20 ALA MB 1 52 PHE HB2 1.800 . 5.110 4.235 3.627 4.886 . 0 0 "[ . 1 . 2]" 1
542 1 20 ALA H 1 20 ALA MB 1.800 . 3.480 2.435 2.292 2.538 . 0 0 "[ . 1 . 2]" 1
543 1 20 ALA H 1 21 ARG HA 1.800 . 5.450 4.427 4.174 4.824 . 0 0 "[ . 1 . 2]" 1
544 1 20 ALA H 1 21 ARG H 1.800 . 5.000 2.142 1.964 2.389 . 0 0 "[ . 1 . 2]" 1
545 1 21 ARG HA 1 21 ARG QD 1.800 . 4.370 3.624 2.127 4.203 . 0 0 "[ . 1 . 2]" 1
546 1 21 ARG HA 1 21 ARG QG 1.800 . 3.510 2.380 2.096 2.541 . 0 0 "[ . 1 . 2]" 1
547 1 21 ARG HA 1 24 ALA MB 1.800 . 3.400 2.688 2.353 3.379 . 0 0 "[ . 1 . 2]" 1
548 1 21 ARG HA 1 24 ALA H 1.800 . 4.780 3.501 3.201 4.005 . 0 0 "[ . 1 . 2]" 1
549 1 21 ARG HA 1 25 LYS H 1.800 . 4.390 3.844 3.503 4.215 . 0 0 "[ . 1 . 2]" 1
550 1 21 ARG QB 1 23 GLN H 1.800 . 5.240 4.621 4.361 4.834 . 0 0 "[ . 1 . 2]" 1
551 1 21 ARG HB3 1 21 ARG QD 1.800 . 3.690 2.736 2.226 3.251 . 0 0 "[ . 1 . 2]" 1
552 1 21 ARG HB3 1 22 SER H 1.800 . 4.590 2.789 2.361 3.452 . 0 0 "[ . 1 . 2]" 1
553 1 21 ARG HB2 1 21 ARG QD 1.800 . 3.690 2.792 2.296 3.571 . 0 0 "[ . 1 . 2]" 1
554 1 21 ARG HB2 1 22 SER H 1.800 . 4.590 3.471 2.523 4.041 . 0 0 "[ . 1 . 2]" 1
555 1 21 ARG H 1 21 ARG HB3 1.800 . 3.970 2.874 2.368 3.596 . 0 0 "[ . 1 . 2]" 1
556 1 21 ARG H 1 21 ARG HB2 1.800 . 3.970 2.451 2.095 2.767 . 0 0 "[ . 1 . 2]" 1
557 1 21 ARG H 1 21 ARG QD 1.800 . 4.930 4.596 4.178 4.891 . 0 0 "[ . 1 . 2]" 1
558 1 21 ARG H 1 21 ARG QG 1.800 . 4.540 3.565 2.527 3.986 . 0 0 "[ . 1 . 2]" 1
559 1 21 ARG H 1 22 SER H 1.800 . 4.280 2.715 2.601 3.007 . 0 0 "[ . 1 . 2]" 1
560 1 21 ARG H 1 24 ALA MB 1.800 . 5.110 4.632 4.353 4.939 . 0 0 "[ . 1 . 2]" 1
561 1 21 ARG H 1 24 ALA H 1.800 . 5.200 4.565 4.415 4.730 . 0 0 "[ . 1 . 2]" 1
562 1 22 SER HA 1 25 LYS HB3 1.800 . 4.140 2.675 1.904 3.033 . 0 0 "[ . 1 . 2]" 1
563 1 22 SER HA 1 25 LYS HB2 1.800 . 4.140 3.420 3.083 4.043 . 0 0 "[ . 1 . 2]" 1
564 1 22 SER HA 1 25 LYS QD 1.800 . 4.910 3.394 2.762 3.866 . 0 0 "[ . 1 . 2]" 1
565 1 22 SER HA 1 25 LYS H 1.800 . 4.140 3.536 3.219 3.793 . 0 0 "[ . 1 . 2]" 1
566 1 22 SER HA 1 26 ALA MB 1.800 . 5.110 4.915 4.647 5.150 0.040 10 0 "[ . 1 . 2]" 1
567 1 22 SER HA 1 26 ALA H 1.800 . 4.520 4.195 3.831 4.424 . 0 0 "[ . 1 . 2]" 1
568 1 22 SER QB 1 23 GLN QB 1.800 . 4.790 3.937 3.691 4.497 . 0 0 "[ . 1 . 2]" 1
569 1 22 SER QB 1 23 GLN H 1.800 . 3.760 2.677 2.429 3.244 . 0 0 "[ . 1 . 2]" 1
570 1 22 SER QB 1 25 LYS H 1.800 . 5.500 5.008 4.761 5.328 . 0 0 "[ . 1 . 2]" 1
571 1 22 SER H 1 22 SER QB 1.800 . 3.360 2.467 2.238 2.755 . 0 0 "[ . 1 . 2]" 1
572 1 22 SER H 1 23 GLN QB 1.800 . 4.930 4.300 4.132 4.421 . 0 0 "[ . 1 . 2]" 1
573 1 22 SER H 1 23 GLN H 1.800 . 3.900 2.579 2.427 2.716 . 0 0 "[ . 1 . 2]" 1
574 1 23 GLN HA 1 23 GLN QE 1.800 . 5.200 3.796 1.746 4.848 0.054 5 0 "[ . 1 . 2]" 1
575 1 23 GLN HA 1 23 GLN QG 1.800 . 3.160 2.661 2.388 3.028 . 0 0 "[ . 1 . 2]" 1
576 1 23 GLN HA 1 26 ALA MB 1.800 . 5.000 2.968 2.806 3.133 . 0 0 "[ . 1 . 2]" 1
577 1 23 GLN HA 1 26 ALA H 1.800 . 4.100 3.650 3.500 3.936 . 0 0 "[ . 1 . 2]" 1
578 1 23 GLN QB 1 24 ALA MB 1.800 . 4.020 3.805 3.666 3.969 . 0 0 "[ . 1 . 2]" 1
579 1 23 GLN QB 1 24 ALA H 1.800 . 3.040 2.463 2.307 2.677 . 0 0 "[ . 1 . 2]" 1
580 1 23 GLN QB 1 26 ALA MB 1.800 . 5.000 4.575 4.422 4.727 . 0 0 "[ . 1 . 2]" 1
581 1 23 GLN QG 1 24 ALA HA 1.800 . 5.000 3.655 3.371 4.024 . 0 0 "[ . 1 . 2]" 1
582 1 23 GLN QG 1 24 ALA H 1.800 . 4.140 3.531 3.307 3.792 . 0 0 "[ . 1 . 2]" 1
583 1 23 GLN QG 1 26 ALA MB 1.800 . 4.490 3.997 3.653 4.501 0.011 1 0 "[ . 1 . 2]" 1
584 1 23 GLN QG 1 26 ALA H 1.800 . 5.300 5.107 4.932 5.336 0.036 1 0 "[ . 1 . 2]" 1
585 1 23 GLN QG 1 27 ARG H 1.800 . 5.380 4.608 4.424 4.769 . 0 0 "[ . 1 . 2]" 1
586 1 23 GLN QG 1 52 PHE QD 1.800 . 4.670 4.046 3.526 4.709 0.039 2 0 "[ . 1 . 2]" 1
587 1 23 GLN QG 1 52 PHE QE 1.800 . 4.630 2.779 2.309 3.192 . 0 0 "[ . 1 . 2]" 1
588 1 23 GLN H 1 23 GLN QB 1.800 . 3.090 2.226 2.192 2.257 . 0 0 "[ . 1 . 2]" 1
589 1 23 GLN H 1 23 GLN QG 1.800 . 4.060 3.980 3.925 4.036 . 0 0 "[ . 1 . 2]" 1
590 1 23 GLN H 1 24 ALA MB 1.800 . 4.900 4.314 4.185 4.465 . 0 0 "[ . 1 . 2]" 1
591 1 23 GLN H 1 25 LYS QB 1.800 . 5.220 4.719 4.368 5.046 . 0 0 "[ . 1 . 2]" 1
592 1 23 GLN H 1 26 ALA MB 1.800 . 5.500 4.957 4.735 5.054 . 0 0 "[ . 1 . 2]" 1
593 1 24 ALA HA 1 26 ALA MB 1.800 . 4.740 4.707 4.578 4.796 0.056 9 0 "[ . 1 . 2]" 1
594 1 24 ALA HA 1 27 ARG HB3 1.800 . 4.340 3.205 2.527 4.386 0.046 8 0 "[ . 1 . 2]" 1
595 1 24 ALA HA 1 27 ARG HB2 1.800 . 4.340 3.365 2.709 4.016 . 0 0 "[ . 1 . 2]" 1
596 1 24 ALA HA 1 27 ARG H 1.800 . 3.540 3.325 3.202 3.496 . 0 0 "[ . 1 . 2]" 1
597 1 24 ALA HA 1 28 ILE MD 1.800 . 4.490 4.284 4.014 4.512 0.022 19 0 "[ . 1 . 2]" 1
598 1 24 ALA HA 1 28 ILE QG 1.800 . 5.440 3.746 3.429 3.978 . 0 0 "[ . 1 . 2]" 1
599 1 24 ALA HA 1 28 ILE H 1.800 . 4.780 3.987 3.811 4.108 . 0 0 "[ . 1 . 2]" 1
600 1 24 ALA HA 1 48 ALA MB 1.800 . 4.200 3.084 2.636 3.407 . 0 0 "[ . 1 . 2]" 1
601 1 24 ALA HA 1 52 PHE QD 1.800 . 5.100 3.576 2.515 4.212 . 0 0 "[ . 1 . 2]" 1
602 1 24 ALA HA 1 52 PHE QE 1.800 . 4.220 1.834 1.761 2.298 0.039 9 0 "[ . 1 . 2]" 1
603 1 24 ALA MB 1 25 LYS H 1.800 . 3.130 2.483 2.362 2.578 . 0 0 "[ . 1 . 2]" 1
604 1 24 ALA MB 1 26 ALA H 1.800 . 4.750 4.554 4.441 4.667 . 0 0 "[ . 1 . 2]" 1
605 1 24 ALA MB 1 27 ARG HB3 1.800 . 5.320 4.320 3.689 5.311 . 0 0 "[ . 1 . 2]" 1
606 1 24 ALA MB 1 27 ARG HB2 1.800 . 5.320 4.711 3.887 5.327 0.007 16 0 "[ . 1 . 2]" 1
607 1 24 ALA MB 1 27 ARG H 1.800 . 5.490 4.475 4.354 4.620 . 0 0 "[ . 1 . 2]" 1
608 1 24 ALA MB 1 28 ILE QG 1.800 . 4.820 3.103 2.964 3.258 . 0 0 "[ . 1 . 2]" 1
609 1 24 ALA MB 1 28 ILE H 1.800 . 4.570 4.265 4.200 4.336 . 0 0 "[ . 1 . 2]" 1
610 1 24 ALA MB 1 31 LEU MD1 1.800 . 5.500 5.490 5.349 5.572 0.072 17 0 "[ . 1 . 2]" 1
611 1 24 ALA MB 1 45 VAL MG1 1.800 . 5.000 4.041 3.686 4.388 . 0 0 "[ . 1 . 2]" 1
612 1 24 ALA MB 1 49 ARG QB 1.800 . 5.000 3.973 3.469 4.502 . 0 0 "[ . 1 . 2]" 1
613 1 24 ALA MB 1 49 ARG H 1.800 . 5.160 4.363 4.061 4.667 . 0 0 "[ . 1 . 2]" 1
614 1 24 ALA MB 1 52 PHE QD 1.800 . 5.330 2.951 2.671 3.480 . 0 0 "[ . 1 . 2]" 1
615 1 24 ALA MB 1 52 PHE QE 1.800 . 4.570 2.818 2.027 3.395 . 0 0 "[ . 1 . 2]" 1
616 1 24 ALA H 1 24 ALA MB 1.800 . 2.780 2.242 2.231 2.256 . 0 0 "[ . 1 . 2]" 1
617 1 24 ALA H 1 25 LYS H 1.800 . 3.110 2.681 2.589 2.738 . 0 0 "[ . 1 . 2]" 1
618 1 24 ALA H 1 26 ALA H 1.800 . 4.350 4.232 4.109 4.323 . 0 0 "[ . 1 . 2]" 1
619 1 24 ALA H 1 52 PHE QE 1.800 . 5.210 3.926 3.192 4.301 . 0 0 "[ . 1 . 2]" 1
620 1 25 LYS HA 1 25 LYS QD 1.800 . 4.160 3.980 3.874 4.034 . 0 0 "[ . 1 . 2]" 1
621 1 25 LYS HA 1 25 LYS QG 1.800 . 3.150 2.490 2.403 2.651 . 0 0 "[ . 1 . 2]" 1
622 1 25 LYS HA 1 28 ILE HB 1.800 . 3.600 2.587 2.380 2.793 . 0 0 "[ . 1 . 2]" 1
623 1 25 LYS HA 1 28 ILE MD 1.800 . 3.200 2.030 1.788 2.385 0.012 14 0 "[ . 1 . 2]" 1
624 1 25 LYS HA 1 28 ILE QG 1.800 . 5.500 3.178 2.880 3.450 . 0 0 "[ . 1 . 2]" 1
625 1 25 LYS HA 1 28 ILE MG 1.800 . 4.200 3.931 3.740 4.142 . 0 0 "[ . 1 . 2]" 1
626 1 25 LYS HA 1 28 ILE H 1.800 . 3.800 3.364 3.150 3.509 . 0 0 "[ . 1 . 2]" 1
627 1 25 LYS HA 1 29 GLU QG 1.800 . 5.130 3.791 3.612 4.085 . 0 0 "[ . 1 . 2]" 1
628 1 25 LYS QB 1 25 LYS QD 1.800 . 3.070 2.126 2.103 2.142 . 0 0 "[ . 1 . 2]" 1
629 1 25 LYS QB 1 26 ALA MB 1.800 . 4.130 3.899 3.769 4.098 . 0 0 "[ . 1 . 2]" 1
630 1 25 LYS HB3 1 25 LYS HD3 1.800 . 3.520 2.532 2.431 2.615 . 0 0 "[ . 1 . 2]" 1
631 1 25 LYS HB3 1 25 LYS HD2 1.800 . 3.520 3.118 2.940 3.472 . 0 0 "[ . 1 . 2]" 1
632 1 25 LYS HB3 1 25 LYS HE3 1.800 . 4.840 4.717 3.944 4.847 0.007 4 0 "[ . 1 . 2]" 1
633 1 25 LYS HB3 1 25 LYS HE2 1.800 . 5.300 4.639 4.386 4.783 . 0 0 "[ . 1 . 2]" 1
634 1 25 LYS HB3 1 26 ALA H 1.800 . 5.000 2.542 2.369 2.733 . 0 0 "[ . 1 . 2]" 1
635 1 25 LYS HB2 1 25 LYS HD3 1.800 . 3.520 2.981 2.518 3.159 . 0 0 "[ . 1 . 2]" 1
636 1 25 LYS HB2 1 25 LYS HD2 1.800 . 3.520 2.480 2.397 2.616 . 0 0 "[ . 1 . 2]" 1
637 1 25 LYS HB2 1 25 LYS HE3 1.800 . 4.840 4.671 4.213 4.776 . 0 0 "[ . 1 . 2]" 1
638 1 25 LYS HB2 1 25 LYS HE2 1.800 . 5.300 4.335 4.157 4.682 . 0 0 "[ . 1 . 2]" 1
639 1 25 LYS HB2 1 26 ALA H 1.800 . 5.000 3.871 3.746 4.044 . 0 0 "[ . 1 . 2]" 1
640 1 25 LYS QD 1 26 ALA H 1.800 . 5.240 4.477 4.314 4.712 . 0 0 "[ . 1 . 2]" 1
641 1 25 LYS HE3 1 25 LYS QG 1.800 . 4.120 3.166 2.346 3.315 . 0 0 "[ . 1 . 2]" 1
642 1 25 LYS HE2 1 25 LYS QG 1.800 . 4.270 2.469 2.317 3.310 . 0 0 "[ . 1 . 2]" 1
643 1 25 LYS QG 1 26 ALA H 1.800 . 4.930 3.457 3.235 3.699 . 0 0 "[ . 1 . 2]" 1
644 1 25 LYS QG 1 28 ILE MD 1.800 . 4.470 3.717 3.454 3.946 . 0 0 "[ . 1 . 2]" 1
645 1 25 LYS QG 1 29 GLU QG 1.800 . 4.090 2.818 2.678 2.940 . 0 0 "[ . 1 . 2]" 1
646 1 25 LYS QG 1 29 GLU H 1.800 . 4.320 4.039 3.861 4.222 . 0 0 "[ . 1 . 2]" 1
647 1 25 LYS H 1 25 LYS HB3 1.800 . 3.250 2.501 2.259 2.611 . 0 0 "[ . 1 . 2]" 1
648 1 25 LYS H 1 25 LYS HB2 1.800 . 3.250 2.533 2.424 2.697 . 0 0 "[ . 1 . 2]" 1
649 1 25 LYS H 1 25 LYS QD 1.800 . 4.730 4.372 4.305 4.406 . 0 0 "[ . 1 . 2]" 1
650 1 25 LYS H 1 25 LYS QG 1.800 . 3.900 3.956 3.901 3.970 0.070 20 0 "[ . 1 . 2]" 1
651 1 25 LYS H 1 26 ALA HA 1.800 . 5.500 5.389 5.345 5.452 . 0 0 "[ . 1 . 2]" 1
652 1 25 LYS H 1 26 ALA MB 1.800 . 4.550 4.438 4.390 4.517 . 0 0 "[ . 1 . 2]" 1
653 1 25 LYS H 1 26 ALA H 1.800 . 3.290 2.809 2.755 2.894 . 0 0 "[ . 1 . 2]" 1
654 1 25 LYS H 1 27 ARG H 1.800 . 4.500 4.204 3.958 4.390 . 0 0 "[ . 1 . 2]" 1
655 1 25 LYS H 1 28 ILE MD 1.800 . 4.950 3.629 3.403 3.987 . 0 0 "[ . 1 . 2]" 1
656 1 26 ALA HA 1 28 ILE H 1.800 . 5.320 4.575 4.436 4.716 . 0 0 "[ . 1 . 2]" 1
657 1 26 ALA HA 1 29 GLU HB3 1.800 . 5.500 5.067 4.502 5.410 . 0 0 "[ . 1 . 2]" 1
658 1 26 ALA HA 1 29 GLU HB2 1.800 . 5.500 3.370 2.883 3.692 . 0 0 "[ . 1 . 2]" 1
659 1 26 ALA HA 1 29 GLU QG 1.800 . 4.440 4.159 3.510 4.448 0.008 4 0 "[ . 1 . 2]" 1
660 1 26 ALA MB 1 27 ARG H 1.800 . 2.960 2.513 2.350 2.693 . 0 0 "[ . 1 . 2]" 1
661 1 26 ALA MB 1 28 ILE H 1.800 . 4.900 4.545 4.420 4.708 . 0 0 "[ . 1 . 2]" 1
662 1 26 ALA MB 1 29 GLU QB 1.800 . 5.300 4.624 4.152 4.881 . 0 0 "[ . 1 . 2]" 1
663 1 26 ALA MB 1 30 GLN H 1.800 . 5.500 4.834 4.719 4.949 . 0 0 "[ . 1 . 2]" 1
664 1 26 ALA H 1 26 ALA MB 1.800 . 2.700 2.231 2.221 2.239 . 0 0 "[ . 1 . 2]" 1
665 1 26 ALA H 1 27 ARG HA 1.800 . 5.500 5.331 5.294 5.399 . 0 0 "[ . 1 . 2]" 1
666 1 26 ALA H 1 27 ARG H 1.800 . 3.140 2.733 2.673 2.835 . 0 0 "[ . 1 . 2]" 1
667 1 26 ALA H 1 28 ILE H 1.800 . 4.530 4.160 4.043 4.308 . 0 0 "[ . 1 . 2]" 1
668 1 26 ALA H 1 29 GLU H 1.800 . 5.500 4.925 4.787 4.998 . 0 0 "[ . 1 . 2]" 1
669 1 27 ARG HA 1 27 ARG HD3 1.800 . 5.000 3.983 2.144 4.845 . 0 0 "[ . 1 . 2]" 1
670 1 27 ARG HA 1 27 ARG HD2 1.800 . 5.000 3.541 1.927 4.682 . 0 0 "[ . 1 . 2]" 1
671 1 27 ARG HA 1 27 ARG QG 1.800 . 3.730 2.612 2.211 3.053 . 0 0 "[ . 1 . 2]" 1
672 1 27 ARG HA 1 29 GLU H 1.800 . 5.440 4.627 4.450 4.845 . 0 0 "[ . 1 . 2]" 1
673 1 27 ARG HA 1 30 GLN QB 1.800 . 3.490 2.411 2.010 2.870 . 0 0 "[ . 1 . 2]" 1
674 1 27 ARG HA 1 30 GLN HE21 1.800 . 5.500 3.954 2.123 5.527 0.027 15 0 "[ . 1 . 2]" 1
675 1 27 ARG HA 1 30 GLN H 1.800 . 3.810 3.425 3.255 3.761 . 0 0 "[ . 1 . 2]" 1
676 1 27 ARG HA 1 31 LEU HG 1.800 . 4.420 3.945 3.779 4.070 . 0 0 "[ . 1 . 2]" 1
677 1 27 ARG HA 1 31 LEU H 1.800 . 4.560 4.001 3.894 4.178 . 0 0 "[ . 1 . 2]" 1
678 1 27 ARG QB 1 27 ARG HD3 1.800 . 4.160 2.809 2.307 3.488 . 0 0 "[ . 1 . 2]" 1
679 1 27 ARG QB 1 27 ARG HD2 1.800 . 4.160 2.643 2.253 3.296 . 0 0 "[ . 1 . 2]" 1
680 1 27 ARG HB3 1 28 ILE H 1.800 . 4.340 2.869 2.347 3.726 . 0 0 "[ . 1 . 2]" 1
681 1 27 ARG HB3 1 31 LEU MD1 1.800 . 4.780 3.773 3.195 4.091 . 0 0 "[ . 1 . 2]" 1
682 1 27 ARG HB3 1 52 PHE QE 1.800 . 5.440 3.225 2.157 4.691 . 0 0 "[ . 1 . 2]" 1
683 1 27 ARG HB2 1 28 ILE H 1.800 . 4.340 3.562 2.386 4.010 . 0 0 "[ . 1 . 2]" 1
684 1 27 ARG HB2 1 31 LEU MD1 1.800 . 4.780 4.630 3.748 4.873 0.093 10 0 "[ . 1 . 2]" 1
685 1 27 ARG HB2 1 52 PHE QE 1.800 . 5.440 3.200 2.463 4.031 . 0 0 "[ . 1 . 2]" 1
686 1 27 ARG QD 1 31 LEU MD1 1.800 . 5.000 3.854 3.008 5.072 0.072 1 0 "[ . 1 . 2]" 1
687 1 27 ARG HG3 1 52 PHE QE 1.800 . 5.280 4.310 2.744 5.288 0.008 17 0 "[ . 1 . 2]" 1
688 1 27 ARG HG2 1 52 PHE QE 1.800 . 5.280 4.019 2.594 5.221 . 0 0 "[ . 1 . 2]" 1
689 1 27 ARG H 1 27 ARG HB3 1.800 . 3.660 2.803 2.435 3.603 . 0 0 "[ . 1 . 2]" 1
690 1 27 ARG H 1 27 ARG HB2 1.800 . 3.660 2.545 2.330 2.662 . 0 0 "[ . 1 . 2]" 1
691 1 27 ARG H 1 27 ARG HG3 1.800 . 4.770 4.168 2.688 4.505 . 0 0 "[ . 1 . 2]" 1
692 1 27 ARG H 1 27 ARG HG2 1.800 . 4.770 4.043 2.014 4.648 . 0 0 "[ . 1 . 2]" 1
693 1 27 ARG H 1 28 ILE HB 1.800 . 5.330 4.816 4.709 4.903 . 0 0 "[ . 1 . 2]" 1
694 1 27 ARG H 1 28 ILE HG13 1.800 . 5.500 4.145 4.027 4.256 . 0 0 "[ . 1 . 2]" 1
695 1 27 ARG H 1 28 ILE H 1.800 . 3.170 2.603 2.497 2.700 . 0 0 "[ . 1 . 2]" 1
696 1 27 ARG H 1 48 ALA MB 1.800 . 4.550 4.364 4.020 4.618 0.068 15 0 "[ . 1 . 2]" 1
697 1 28 ILE HA 1 28 ILE QG 1.800 . 3.490 2.426 2.399 2.453 . 0 0 "[ . 1 . 2]" 1
698 1 28 ILE HA 1 28 ILE MG 1.800 . 3.210 2.412 2.390 2.437 . 0 0 "[ . 1 . 2]" 1
699 1 28 ILE HA 1 30 GLN H 1.800 . 4.540 4.295 4.171 4.460 . 0 0 "[ . 1 . 2]" 1
700 1 28 ILE HA 1 31 LEU QB 1.800 . 3.320 2.739 2.505 2.902 . 0 0 "[ . 1 . 2]" 1
701 1 28 ILE HA 1 31 LEU MD1 1.800 . 3.040 2.028 1.789 2.275 0.011 10 0 "[ . 1 . 2]" 1
702 1 28 ILE HA 1 31 LEU HG 1.800 . 3.790 3.274 2.980 3.450 . 0 0 "[ . 1 . 2]" 1
703 1 28 ILE HA 1 31 LEU H 1.800 . 3.870 3.431 3.306 3.546 . 0 0 "[ . 1 . 2]" 1
704 1 28 ILE HA 1 32 ALA H 1.800 . 5.460 4.315 4.102 4.516 . 0 0 "[ . 1 . 2]" 1
705 1 28 ILE HA 1 44 LEU QB 1.800 . 3.780 3.396 3.119 3.781 0.001 3 0 "[ . 1 . 2]" 1
706 1 28 ILE HA 1 48 ALA HA 1.800 . 5.500 5.349 5.074 5.564 0.064 16 0 "[ . 1 . 2]" 1
707 1 28 ILE HA 1 48 ALA MB 1.800 . 3.430 2.936 2.681 3.184 . 0 0 "[ . 1 . 2]" 1
708 1 28 ILE HB 1 28 ILE MD 1.800 . 3.080 2.365 2.322 2.389 . 0 0 "[ . 1 . 2]" 1
709 1 28 ILE HB 1 29 GLU H 1.800 . 2.940 2.418 2.322 2.503 . 0 0 "[ . 1 . 2]" 1
710 1 28 ILE HB 1 40 VAL MG1 1.800 . 5.360 4.051 3.826 4.228 . 0 0 "[ . 1 . 2]" 1
711 1 28 ILE HB 1 40 VAL MG2 1.800 . 5.510 4.593 4.436 4.814 . 0 0 "[ . 1 . 2]" 1
712 1 28 ILE HB 1 48 ALA MB 1.800 . 4.360 4.227 4.114 4.355 . 0 0 "[ . 1 . 2]" 1
713 1 28 ILE MD 1 40 VAL MG2 1.800 . 4.580 4.195 4.018 4.330 . 0 0 "[ . 1 . 2]" 1
714 1 28 ILE MD 1 45 VAL HA 1.800 . 3.080 2.106 1.823 2.287 . 0 0 "[ . 1 . 2]" 1
715 1 28 ILE MD 1 45 VAL MG1 1.800 . 3.410 1.843 1.752 2.062 0.048 3 0 "[ . 1 . 2]" 1
716 1 28 ILE MD 1 45 VAL MG2 1.800 . 3.350 1.988 1.778 2.422 0.022 17 0 "[ . 1 . 2]" 1
717 1 28 ILE MD 1 46 GLU H 1.800 . 5.500 4.893 4.702 5.040 . 0 0 "[ . 1 . 2]" 1
718 1 28 ILE MD 1 48 ALA MB 1.800 . 3.470 2.781 2.581 2.998 . 0 0 "[ . 1 . 2]" 1
719 1 28 ILE QG 1 31 LEU HG 1.800 . 5.070 4.892 4.688 5.073 0.003 14 0 "[ . 1 . 2]" 1
720 1 28 ILE QG 1 45 VAL HA 1.800 . 3.480 1.979 1.803 2.193 . 0 0 "[ . 1 . 2]" 1
721 1 28 ILE QG 1 45 VAL MG2 1.800 . 5.050 3.354 3.130 3.602 . 0 0 "[ . 1 . 2]" 1
722 1 28 ILE QG 1 48 ALA HA 1.800 . 4.730 4.417 4.213 4.542 . 0 0 "[ . 1 . 2]" 1
723 1 28 ILE QG 1 48 ALA H 1.800 . 4.180 3.528 3.362 3.707 . 0 0 "[ . 1 . 2]" 1
724 1 28 ILE HG13 1 48 ALA MB 1.800 . 3.360 2.334 2.209 2.420 . 0 0 "[ . 1 . 2]" 1
725 1 28 ILE HG12 1 48 ALA MB 1.800 . 3.360 2.199 2.051 2.465 . 0 0 "[ . 1 . 2]" 1
726 1 28 ILE HG13 1 28 ILE MG 1.800 . 3.580 3.195 3.185 3.199 . 0 0 "[ . 1 . 2]" 1
727 1 28 ILE HG12 1 28 ILE MG 1.800 . 3.580 2.318 2.283 2.342 . 0 0 "[ . 1 . 2]" 1
728 1 28 ILE MG 1 29 GLU HA 1.800 . 4.260 3.276 3.192 3.367 . 0 0 "[ . 1 . 2]" 1
729 1 28 ILE MG 1 29 GLU QB 1.800 . 5.500 4.484 4.347 4.655 . 0 0 "[ . 1 . 2]" 1
730 1 28 ILE MG 1 29 GLU QG 1.800 . 4.530 3.291 3.052 3.724 . 0 0 "[ . 1 . 2]" 1
731 1 28 ILE MG 1 29 GLU H 1.800 . 3.720 3.249 3.126 3.350 . 0 0 "[ . 1 . 2]" 1
732 1 28 ILE MG 1 30 GLN H 1.800 . 4.990 4.817 4.706 4.961 . 0 0 "[ . 1 . 2]" 1
733 1 28 ILE MG 1 31 LEU QB 1.800 . 5.090 3.622 3.408 3.749 . 0 0 "[ . 1 . 2]" 1
734 1 28 ILE MG 1 31 LEU H 1.800 . 5.140 4.623 4.525 4.719 . 0 0 "[ . 1 . 2]" 1
735 1 28 ILE MG 1 32 ALA H 1.800 . 4.390 4.145 3.943 4.270 . 0 0 "[ . 1 . 2]" 1
736 1 28 ILE MG 1 40 VAL HA 1.800 . 5.020 4.247 4.023 4.420 . 0 0 "[ . 1 . 2]" 1
737 1 28 ILE MG 1 40 VAL MG1 1.800 . 3.210 2.324 2.139 2.445 . 0 0 "[ . 1 . 2]" 1
738 1 28 ILE MG 1 40 VAL MG2 1.800 . 2.860 2.783 2.645 2.900 0.040 18 0 "[ . 1 . 2]" 1
739 1 28 ILE MG 1 44 LEU HA 1.800 . 4.840 4.348 4.112 4.530 . 0 0 "[ . 1 . 2]" 1
740 1 28 ILE MG 1 44 LEU HB3 1.800 . 3.890 2.329 1.992 2.586 . 0 0 "[ . 1 . 2]" 1
741 1 28 ILE MG 1 44 LEU HB2 1.800 . 3.890 3.189 2.874 3.661 . 0 0 "[ . 1 . 2]" 1
742 1 28 ILE MG 1 44 LEU MD2 1.800 . 4.160 3.330 2.962 3.613 . 0 0 "[ . 1 . 2]" 1
743 1 28 ILE MG 1 44 LEU HG 1.800 . 4.580 4.434 4.089 4.626 0.046 3 0 "[ . 1 . 2]" 1
744 1 28 ILE MG 1 45 VAL HA 1.800 . 3.710 2.639 2.183 3.000 . 0 0 "[ . 1 . 2]" 1
745 1 28 ILE MG 1 45 VAL MG2 1.800 . 3.240 1.971 1.799 2.227 0.001 3 0 "[ . 1 . 2]" 1
746 1 28 ILE MG 1 45 VAL H 1.800 . 4.280 3.293 3.106 3.432 . 0 0 "[ . 1 . 2]" 1
747 1 28 ILE MG 1 48 ALA MB 1.800 . 4.730 3.672 3.490 3.920 . 0 0 "[ . 1 . 2]" 1
748 1 28 ILE MG 1 48 ALA H 1.800 . 5.220 4.756 4.572 4.937 . 0 0 "[ . 1 . 2]" 1
749 1 28 ILE H 1 28 ILE HB 1.800 . 2.960 2.556 2.518 2.601 . 0 0 "[ . 1 . 2]" 1
750 1 28 ILE H 1 28 ILE MD 1.800 . 3.570 3.419 3.296 3.486 . 0 0 "[ . 1 . 2]" 1
751 1 28 ILE H 1 28 ILE HG13 1.800 . 4.560 2.047 1.967 2.119 . 0 0 "[ . 1 . 2]" 1
752 1 28 ILE H 1 28 ILE HG12 1.800 . 4.560 3.428 3.370 3.493 . 0 0 "[ . 1 . 2]" 1
753 1 28 ILE H 1 28 ILE MG 1.800 . 3.890 3.771 3.755 3.784 . 0 0 "[ . 1 . 2]" 1
754 1 28 ILE H 1 29 GLU H 1.800 . 3.260 2.818 2.762 2.860 . 0 0 "[ . 1 . 2]" 1
755 1 28 ILE H 1 30 GLN H 1.800 . 4.470 3.957 3.727 4.155 . 0 0 "[ . 1 . 2]" 1
756 1 28 ILE H 1 48 ALA MB 1.800 . 3.860 3.264 3.018 3.533 . 0 0 "[ . 1 . 2]" 1
757 1 29 GLU HA 1 29 GLU HG3 1.800 . 3.760 3.078 2.987 3.256 . 0 0 "[ . 1 . 2]" 1
758 1 29 GLU HA 1 29 GLU HG2 1.800 . 3.760 2.496 2.377 2.564 . 0 0 "[ . 1 . 2]" 1
759 1 29 GLU HA 1 31 LEU H 1.800 . 4.970 4.296 4.141 4.481 . 0 0 "[ . 1 . 2]" 1
760 1 29 GLU HA 1 32 ALA MB 1.800 . 3.470 2.564 2.385 2.816 . 0 0 "[ . 1 . 2]" 1
761 1 29 GLU HA 1 32 ALA H 1.800 . 4.150 3.211 3.108 3.543 . 0 0 "[ . 1 . 2]" 1
762 1 29 GLU HA 1 33 ARG H 1.800 . 5.220 4.178 3.872 4.447 . 0 0 "[ . 1 . 2]" 1
763 1 29 GLU HA 1 40 VAL MG1 1.800 . 4.040 2.577 2.289 3.133 . 0 0 "[ . 1 . 2]" 1
764 1 29 GLU QB 1 40 VAL MG1 1.800 . 5.260 3.851 3.572 4.629 . 0 0 "[ . 1 . 2]" 1
765 1 29 GLU HB3 1 30 GLN H 1.800 . 3.970 3.896 3.621 3.989 0.019 11 0 "[ . 1 . 2]" 1
766 1 29 GLU HB2 1 30 GLN H 1.800 . 3.970 2.925 2.697 3.035 . 0 0 "[ . 1 . 2]" 1
767 1 29 GLU QG 1 30 GLN H 1.800 . 4.560 4.127 3.999 4.250 . 0 0 "[ . 1 . 2]" 1
768 1 29 GLU QG 1 40 VAL MG2 1.800 . 5.500 3.826 3.559 4.791 . 0 0 "[ . 1 . 2]" 1
769 1 29 GLU HG3 1 40 VAL MG1 1.800 . 4.590 3.599 3.108 4.348 . 0 0 "[ . 1 . 2]" 1
770 1 29 GLU HG2 1 40 VAL MG1 1.800 . 4.590 2.671 2.347 3.762 . 0 0 "[ . 1 . 2]" 1
771 1 29 GLU H 1 29 GLU QB 1.800 . 2.980 2.439 2.378 2.515 . 0 0 "[ . 1 . 2]" 1
772 1 29 GLU H 1 29 GLU HG3 1.800 . 3.910 2.230 2.123 2.470 . 0 0 "[ . 1 . 2]" 1
773 1 29 GLU H 1 29 GLU HG2 1.800 . 3.910 3.391 3.148 3.492 . 0 0 "[ . 1 . 2]" 1
774 1 29 GLU H 1 30 GLN H 1.800 . 3.100 2.574 2.516 2.741 . 0 0 "[ . 1 . 2]" 1
775 1 29 GLU H 1 40 VAL MG1 1.800 . 4.850 4.115 3.810 4.437 . 0 0 "[ . 1 . 2]" 1
776 1 30 GLN HA 1 30 GLN HG3 1.800 . 3.710 2.805 2.355 3.718 0.008 15 0 "[ . 1 . 2]" 1
777 1 30 GLN HA 1 30 GLN HG2 1.800 . 3.710 2.967 2.438 3.777 0.067 12 0 "[ . 1 . 2]" 1
778 1 30 GLN HA 1 31 LEU H 1.800 . 3.550 3.532 3.512 3.552 0.002 8 0 "[ . 1 . 2]" 1
779 1 30 GLN HA 1 33 ARG HB3 1.800 . 4.770 4.277 3.856 4.578 . 0 0 "[ . 1 . 2]" 1
780 1 30 GLN HA 1 33 ARG HB2 1.800 . 4.770 2.709 2.293 3.059 . 0 0 "[ . 1 . 2]" 1
781 1 30 GLN HA 1 33 ARG QG 1.800 . 3.940 3.031 2.217 3.896 . 0 0 "[ . 1 . 2]" 1
782 1 30 GLN HA 1 33 ARG H 1.800 . 4.280 3.291 2.977 3.566 . 0 0 "[ . 1 . 2]" 1
783 1 30 GLN QB 1 31 LEU MD1 1.800 . 5.340 4.642 4.484 4.932 . 0 0 "[ . 1 . 2]" 1
784 1 30 GLN QB 1 31 LEU MD2 1.800 . 4.510 3.985 3.749 4.349 . 0 0 "[ . 1 . 2]" 1
785 1 30 GLN QB 1 31 LEU H 1.800 . 3.380 2.556 2.315 2.717 . 0 0 "[ . 1 . 2]" 1
786 1 30 GLN QB 1 32 ALA H 1.800 . 5.120 4.665 4.560 4.782 . 0 0 "[ . 1 . 2]" 1
787 1 30 GLN QB 1 33 ARG QB 1.800 . 5.500 4.345 3.808 4.708 . 0 0 "[ . 1 . 2]" 1
788 1 30 GLN QB 1 33 ARG QG 1.800 . 5.500 4.797 4.223 5.458 . 0 0 "[ . 1 . 2]" 1
789 1 30 GLN QB 1 33 ARG H 1.800 . 5.500 4.832 4.532 5.045 . 0 0 "[ . 1 . 2]" 1
790 1 30 GLN QB 1 34 GLN H 1.800 . 5.500 5.067 4.563 5.516 0.016 5 0 "[ . 1 . 2]" 1
791 1 30 GLN QG 1 33 ARG H 1.800 . 5.270 4.955 4.581 5.393 0.123 15 0 "[ . 1 . 2]" 1
792 1 30 GLN HG3 1 31 LEU H 1.800 . 5.360 4.659 3.692 5.013 . 0 0 "[ . 1 . 2]" 1
793 1 30 GLN HG2 1 31 LEU H 1.800 . 5.360 4.371 3.555 5.091 . 0 0 "[ . 1 . 2]" 1
794 1 30 GLN H 1 30 GLN QG 1.800 . 4.230 3.513 2.294 4.021 . 0 0 "[ . 1 . 2]" 1
795 1 30 GLN H 1 31 LEU H 1.800 . 3.120 2.571 2.479 2.676 . 0 0 "[ . 1 . 2]" 1
796 1 30 GLN H 1 32 ALA MB 1.800 . 4.970 4.740 4.562 4.979 0.009 3 0 "[ . 1 . 2]" 1
797 1 30 GLN H 1 32 ALA H 1.800 . 4.320 3.988 3.821 4.164 . 0 0 "[ . 1 . 2]" 1
798 1 31 LEU HA 1 31 LEU MD1 1.800 . 3.930 3.890 3.870 3.907 . 0 0 "[ . 1 . 2]" 1
799 1 31 LEU HA 1 31 LEU MD2 1.800 . 4.150 2.087 2.026 2.183 . 0 0 "[ . 1 . 2]" 1
800 1 31 LEU HA 1 31 LEU HG 1.800 . 3.760 2.996 2.867 3.087 . 0 0 "[ . 1 . 2]" 1
801 1 31 LEU HA 1 34 GLN QB 1.800 . 3.590 2.549 2.264 2.846 . 0 0 "[ . 1 . 2]" 1
802 1 31 LEU HA 1 34 GLN HE21 1.800 . 4.500 2.921 2.272 4.154 . 0 0 "[ . 1 . 2]" 1
803 1 31 LEU QB 1 32 ALA MB 1.800 . 4.060 3.815 3.679 3.934 . 0 0 "[ . 1 . 2]" 1
804 1 31 LEU QB 1 44 LEU MD1 1.800 . 4.530 3.906 3.524 4.216 . 0 0 "[ . 1 . 2]" 1
805 1 31 LEU QB 1 44 LEU HG 1.800 . 3.480 2.614 2.212 2.945 . 0 0 "[ . 1 . 2]" 1
806 1 31 LEU HB3 1 31 LEU MD1 1.800 . 3.200 2.456 2.400 2.517 . 0 0 "[ . 1 . 2]" 1
807 1 31 LEU HB3 1 31 LEU MD2 1.800 . 3.260 2.313 2.261 2.376 . 0 0 "[ . 1 . 2]" 1
808 1 31 LEU HB3 1 32 ALA H 1.800 . 4.150 3.654 3.534 3.792 . 0 0 "[ . 1 . 2]" 1
809 1 31 LEU HB3 1 44 LEU MD2 1.800 . 3.460 2.900 2.363 3.222 . 0 0 "[ . 1 . 2]" 1
810 1 31 LEU HB2 1 31 LEU MD1 1.800 . 3.200 2.273 2.220 2.322 . 0 0 "[ . 1 . 2]" 1
811 1 31 LEU HB2 1 31 LEU MD2 1.800 . 3.260 3.192 3.177 3.203 . 0 0 "[ . 1 . 2]" 1
812 1 31 LEU HB2 1 32 ALA H 1.800 . 4.150 2.650 2.503 2.816 . 0 0 "[ . 1 . 2]" 1
813 1 31 LEU HB2 1 44 LEU MD2 1.800 . 3.460 2.613 2.198 2.870 . 0 0 "[ . 1 . 2]" 1
814 1 31 LEU MD1 1 32 ALA H 1.800 . 4.790 4.469 4.266 4.638 . 0 0 "[ . 1 . 2]" 1
815 1 31 LEU MD1 1 44 LEU QB 1.800 . 3.470 3.092 2.760 3.491 0.021 4 0 "[ . 1 . 2]" 1
816 1 31 LEU MD1 1 44 LEU HG 1.800 . 3.350 3.110 2.744 3.376 0.026 19 0 "[ . 1 . 2]" 1
817 1 31 LEU MD1 1 47 GLN QB 1.800 . 3.800 2.748 2.326 3.236 . 0 0 "[ . 1 . 2]" 1
818 1 31 LEU MD1 1 47 GLN QG 1.800 . 4.330 3.615 2.266 4.202 . 0 0 "[ . 1 . 2]" 1
819 1 31 LEU MD1 1 48 ALA HA 1.800 . 3.700 3.054 2.769 3.340 . 0 0 "[ . 1 . 2]" 1
820 1 31 LEU MD1 1 48 ALA MB 1.800 . 3.470 2.257 1.894 2.797 . 0 0 "[ . 1 . 2]" 1
821 1 31 LEU MD1 1 48 ALA H 1.800 . 3.560 3.185 2.926 3.465 . 0 0 "[ . 1 . 2]" 1
822 1 31 LEU MD1 1 51 GLU QG 1.800 . 5.500 3.646 2.983 4.441 . 0 0 "[ . 1 . 2]" 1
823 1 31 LEU MD2 1 34 GLN HE21 1.800 . 4.200 2.950 2.482 4.200 . 0 0 "[ . 1 . 2]" 1
824 1 31 LEU MD2 1 47 GLN QB 1.800 . 5.120 4.198 3.462 4.740 . 0 0 "[ . 1 . 2]" 1
825 1 31 LEU MD2 1 47 GLN HE21 1.800 . 5.180 4.867 3.343 5.228 0.048 6 0 "[ . 1 . 2]" 1
826 1 31 LEU MD2 1 47 GLN QG 1.800 . 5.050 4.417 3.008 5.069 0.019 5 0 "[ . 1 . 2]" 1
827 1 31 LEU MD2 1 48 ALA HA 1.800 . 5.600 4.707 4.331 4.929 . 0 0 "[ . 1 . 2]" 1
828 1 31 LEU HG 1 32 ALA H 1.800 . 4.650 4.373 4.200 4.498 . 0 0 "[ . 1 . 2]" 1
829 1 31 LEU H 1 31 LEU HB3 1.800 . 3.750 3.583 3.568 3.601 . 0 0 "[ . 1 . 2]" 1
830 1 31 LEU H 1 31 LEU HB2 1.800 . 3.750 2.473 2.379 2.552 . 0 0 "[ . 1 . 2]" 1
831 1 31 LEU H 1 31 LEU MD1 1.800 . 3.960 3.484 3.341 3.619 . 0 0 "[ . 1 . 2]" 1
832 1 31 LEU H 1 31 LEU MD2 1.800 . 4.180 3.446 3.242 3.655 . 0 0 "[ . 1 . 2]" 1
833 1 31 LEU H 1 31 LEU HG 1.800 . 3.030 2.263 2.070 2.444 . 0 0 "[ . 1 . 2]" 1
834 1 31 LEU H 1 32 ALA HA 1.800 . 5.420 5.281 5.221 5.353 . 0 0 "[ . 1 . 2]" 1
835 1 31 LEU H 1 32 ALA MB 1.800 . 4.590 4.351 4.268 4.436 . 0 0 "[ . 1 . 2]" 1
836 1 31 LEU H 1 32 ALA H 1.800 . 2.860 2.668 2.585 2.756 . 0 0 "[ . 1 . 2]" 1
837 1 32 ALA HA 1 35 ALA MB 1.800 . 3.290 2.519 2.133 2.833 . 0 0 "[ . 1 . 2]" 1
838 1 32 ALA HA 1 35 ALA H 1.800 . 3.460 3.170 3.043 3.344 . 0 0 "[ . 1 . 2]" 1
839 1 32 ALA HA 1 37 GLN QE 1.800 . 4.440 3.556 2.791 4.491 0.051 18 0 "[ . 1 . 2]" 1
840 1 32 ALA HA 1 37 GLN QG 1.800 . 4.080 2.826 2.298 3.395 . 0 0 "[ . 1 . 2]" 1
841 1 32 ALA HA 1 40 VAL HA 1.800 . 4.950 4.627 4.349 4.917 . 0 0 "[ . 1 . 2]" 1
842 1 32 ALA HA 1 40 VAL MG1 1.800 . 5.180 4.034 3.921 4.193 . 0 0 "[ . 1 . 2]" 1
843 1 32 ALA HA 1 44 LEU MD1 1.800 . 5.000 4.501 4.039 4.871 . 0 0 "[ . 1 . 2]" 1
844 1 32 ALA HA 1 44 LEU MD2 1.800 . 5.000 2.365 2.057 2.648 . 0 0 "[ . 1 . 2]" 1
845 1 32 ALA MB 1 33 ARG H 1.800 . 2.880 2.583 2.442 2.738 . 0 0 "[ . 1 . 2]" 1
846 1 32 ALA MB 1 35 ALA H 1.800 . 4.520 4.369 4.265 4.466 . 0 0 "[ . 1 . 2]" 1
847 1 32 ALA MB 1 37 GLN QE 1.800 . 4.880 3.371 2.672 4.645 . 0 0 "[ . 1 . 2]" 1
848 1 32 ALA MB 1 37 GLN HG3 1.800 . 5.000 2.514 1.921 3.096 . 0 0 "[ . 1 . 2]" 1
849 1 32 ALA MB 1 37 GLN HG2 1.800 . 5.000 3.205 2.545 3.708 . 0 0 "[ . 1 . 2]" 1
850 1 32 ALA MB 1 39 ILE H 1.800 . 4.750 4.082 3.389 4.394 . 0 0 "[ . 1 . 2]" 1
851 1 32 ALA MB 1 40 VAL HA 1.800 . 3.950 2.993 2.492 3.317 . 0 0 "[ . 1 . 2]" 1
852 1 32 ALA MB 1 40 VAL MG1 1.800 . 3.010 1.779 1.733 1.841 0.067 20 0 "[ . 1 . 2]" 1
853 1 32 ALA MB 1 40 VAL MG2 1.800 . 4.490 4.195 4.099 4.277 . 0 0 "[ . 1 . 2]" 1
854 1 32 ALA MB 1 40 VAL H 1.800 . 4.390 4.336 4.069 4.446 0.056 13 0 "[ . 1 . 2]" 1
855 1 32 ALA MB 1 41 THR H 1.800 . 5.030 4.426 3.889 4.813 . 0 0 "[ . 1 . 2]" 1
856 1 32 ALA MB 1 44 LEU MD2 1.800 . 3.290 2.468 2.172 2.677 . 0 0 "[ . 1 . 2]" 1
857 1 32 ALA H 1 32 ALA MB 1.800 . 2.680 2.242 2.229 2.256 . 0 0 "[ . 1 . 2]" 1
858 1 32 ALA H 1 33 ARG H 1.800 . 2.850 2.637 2.548 2.756 . 0 0 "[ . 1 . 2]" 1
859 1 32 ALA H 1 35 ALA H 1.800 . 5.160 4.616 4.486 4.808 . 0 0 "[ . 1 . 2]" 1
860 1 32 ALA H 1 40 VAL MG1 1.800 . 4.700 3.707 3.462 3.884 . 0 0 "[ . 1 . 2]" 1
861 1 32 ALA H 1 44 LEU MD2 1.800 . 4.070 2.862 2.610 3.149 . 0 0 "[ . 1 . 2]" 1
862 1 33 ARG QB 1 34 GLN H 1.800 . 4.070 2.739 2.515 3.020 . 0 0 "[ . 1 . 2]" 1
863 1 33 ARG QB 1 35 ALA H 1.800 . 4.880 4.659 4.476 4.860 . 0 0 "[ . 1 . 2]" 1
864 1 33 ARG HB3 1 33 ARG QD 1.800 . 4.130 2.536 2.245 3.115 . 0 0 "[ . 1 . 2]" 1
865 1 33 ARG HB3 1 36 GLU H 1.800 . 5.500 4.818 4.546 5.065 . 0 0 "[ . 1 . 2]" 1
866 1 33 ARG HB2 1 33 ARG QD 1.800 . 4.130 2.933 2.265 3.546 . 0 0 "[ . 1 . 2]" 1
867 1 33 ARG HB2 1 36 GLU H 1.800 . 5.500 5.132 4.966 5.315 . 0 0 "[ . 1 . 2]" 1
868 1 33 ARG H 1 33 ARG HB3 1.800 . 3.700 3.592 3.536 3.619 . 0 0 "[ . 1 . 2]" 1
869 1 33 ARG H 1 33 ARG HB2 1.800 . 3.700 2.456 2.270 2.654 . 0 0 "[ . 1 . 2]" 1
870 1 33 ARG H 1 33 ARG QD 1.800 . 4.380 3.848 3.179 4.374 . 0 0 "[ . 1 . 2]" 1
871 1 33 ARG H 1 33 ARG HG3 1.800 . 3.670 2.938 1.997 3.817 0.147 17 0 "[ . 1 . 2]" 1
872 1 33 ARG H 1 33 ARG HG2 1.800 . 3.670 2.962 2.249 3.733 0.063 11 0 "[ . 1 . 2]" 1
873 1 33 ARG H 1 34 GLN QB 1.800 . 5.060 4.432 4.191 4.729 . 0 0 "[ . 1 . 2]" 1
874 1 33 ARG H 1 35 ALA MB 1.800 . 4.920 4.853 4.590 4.994 0.074 1 0 "[ . 1 . 2]" 1
875 1 33 ARG H 1 35 ALA H 1.800 . 4.510 3.980 3.800 4.198 . 0 0 "[ . 1 . 2]" 1
876 1 34 GLN HA 1 35 ALA H 1.800 . 3.490 3.498 3.454 3.534 0.044 7 0 "[ . 1 . 2]" 1
877 1 34 GLN HA 1 36 GLU H 1.800 . 5.000 3.733 3.532 3.887 . 0 0 "[ . 1 . 2]" 1
878 1 34 GLN QB 1 35 ALA MB 1.800 . 5.500 3.746 3.654 3.895 . 0 0 "[ . 1 . 2]" 1
879 1 34 GLN HB3 1 35 ALA H 1.800 . 4.280 3.031 2.517 3.950 . 0 0 "[ . 1 . 2]" 1
880 1 34 GLN HB2 1 35 ALA H 1.800 . 4.280 3.531 2.703 3.959 . 0 0 "[ . 1 . 2]" 1
881 1 34 GLN HE21 1 44 LEU MD2 1.800 . 5.840 5.561 4.672 5.949 0.109 3 0 "[ . 1 . 2]" 1
882 1 34 GLN HE21 1 34 GLN QG 1.800 . 3.110 2.733 2.228 2.822 . 0 0 "[ . 1 . 2]" 1
883 1 34 GLN H 1 35 ALA H 1.800 . 2.970 2.534 2.389 2.686 . 0 0 "[ . 1 . 2]" 1
884 1 34 GLN H 1 44 LEU MD2 1.800 . 5.430 5.149 4.876 5.438 0.008 10 0 "[ . 1 . 2]" 1
885 1 35 ALA HA 1 36 GLU QG 1.800 . 5.000 3.891 3.535 4.652 . 0 0 "[ . 1 . 2]" 1
886 1 35 ALA MB 1 36 GLU QB 1.800 . 4.670 4.307 4.191 4.388 . 0 0 "[ . 1 . 2]" 1
887 1 35 ALA MB 1 36 GLU H 1.800 . 3.540 3.139 3.037 3.232 . 0 0 "[ . 1 . 2]" 1
888 1 35 ALA MB 1 37 GLN QB 1.800 . 4.570 3.546 2.994 3.891 . 0 0 "[ . 1 . 2]" 1
889 1 35 ALA MB 1 37 GLN QE 1.800 . 3.290 3.201 2.105 3.488 0.198 13 0 "[ . 1 . 2]" 1
890 1 35 ALA MB 1 37 GLN QG 1.800 . 3.140 2.144 1.923 2.413 . 0 0 "[ . 1 . 2]" 1
891 1 35 ALA MB 1 37 GLN H 1.800 . 4.350 3.174 2.847 3.677 . 0 0 "[ . 1 . 2]" 1
892 1 35 ALA MB 1 44 LEU MD1 1.800 . 4.330 3.775 3.215 4.340 0.010 14 0 "[ . 1 . 2]" 1
893 1 35 ALA MB 1 44 LEU MD2 1.800 . 4.190 2.967 2.482 3.503 . 0 0 "[ . 1 . 2]" 1
894 1 35 ALA H 1 36 GLU HA 1.800 . 4.990 4.605 4.370 4.721 . 0 0 "[ . 1 . 2]" 1
895 1 35 ALA H 1 36 GLU QG 1.800 . 4.760 4.515 4.322 4.799 0.039 1 0 "[ . 1 . 2]" 1
896 1 35 ALA H 1 36 GLU H 1.800 . 2.850 2.381 2.217 2.462 . 0 0 "[ . 1 . 2]" 1
897 1 35 ALA H 1 37 GLN QG 1.800 . 5.110 3.975 3.720 4.263 . 0 0 "[ . 1 . 2]" 1
898 1 36 GLU HA 1 36 GLU QG 1.800 . 2.740 2.452 2.286 2.787 0.047 3 0 "[ . 1 . 2]" 1
899 1 36 GLU HA 1 37 GLN H 1.800 . 3.040 2.785 2.514 2.983 . 0 0 "[ . 1 . 2]" 1
900 1 36 GLU QB 1 37 GLN QG 1.800 . 5.220 4.815 4.360 5.114 . 0 0 "[ . 1 . 2]" 1
901 1 36 GLU QB 1 37 GLN H 1.800 . 4.250 3.840 3.732 3.912 . 0 0 "[ . 1 . 2]" 1
902 1 36 GLU QG 1 37 GLN H 1.800 . 4.700 4.529 4.438 4.739 0.039 1 0 "[ . 1 . 2]" 1
903 1 36 GLU H 1 36 GLU HA 1.800 . 2.560 2.257 2.246 2.278 . 0 0 "[ . 1 . 2]" 1
904 1 36 GLU H 1 36 GLU QG 1.800 . 2.920 2.846 2.711 2.971 0.051 3 0 "[ . 1 . 2]" 1
905 1 36 GLU H 1 37 GLN HA 1.800 . 5.500 5.256 5.180 5.392 . 0 0 "[ . 1 . 2]" 1
906 1 36 GLU H 1 37 GLN QB 1.800 . 5.500 4.961 4.824 5.069 . 0 0 "[ . 1 . 2]" 1
907 1 36 GLU H 1 37 GLN QG 1.800 . 5.500 3.815 3.506 4.015 . 0 0 "[ . 1 . 2]" 1
908 1 36 GLU H 1 37 GLN H 1.800 . 3.010 2.628 2.514 2.855 . 0 0 "[ . 1 . 2]" 1
909 1 37 GLN HA 1 37 GLN HG3 1.800 . 4.080 3.816 3.773 3.870 . 0 0 "[ . 1 . 2]" 1
910 1 37 GLN HA 1 37 GLN HG2 1.800 . 4.080 3.700 3.618 3.781 . 0 0 "[ . 1 . 2]" 1
911 1 37 GLN HA 1 38 ASP H 1.800 . 2.560 2.331 2.189 2.524 . 0 0 "[ . 1 . 2]" 1
912 1 37 GLN QB 1 37 GLN QE 1.800 . 4.600 3.145 1.761 3.469 0.039 18 0 "[ . 1 . 2]" 1
913 1 37 GLN QB 1 38 ASP QB 1.800 . 5.140 4.541 4.336 4.831 . 0 0 "[ . 1 . 2]" 1
914 1 37 GLN QB 1 39 ILE H 1.800 . 3.130 2.544 2.332 2.811 . 0 0 "[ . 1 . 2]" 1
915 1 37 GLN QE 1 39 ILE MG 1.800 . 5.220 4.420 3.825 5.268 0.048 18 0 "[ . 1 . 2]" 1
916 1 37 GLN QE 1 40 VAL HA 1.800 . 4.970 3.206 2.627 4.474 . 0 0 "[ . 1 . 2]" 1
917 1 37 GLN QE 1 41 THR MG 1.800 . 4.640 3.014 2.444 3.556 . 0 0 "[ . 1 . 2]" 1
918 1 37 GLN QE 1 41 THR H 1.800 . 4.340 3.539 2.851 4.371 0.031 2 0 "[ . 1 . 2]" 1
919 1 37 GLN QE 1 44 LEU MD1 1.800 . 5.120 3.375 2.806 3.925 . 0 0 "[ . 1 . 2]" 1
920 1 37 GLN QE 1 44 LEU MD2 1.800 . 4.610 2.806 2.010 3.581 . 0 0 "[ . 1 . 2]" 1
921 1 37 GLN HE21 1 44 LEU MD2 1.800 . 5.390 3.053 2.117 4.531 . 0 0 "[ . 1 . 2]" 1
922 1 37 GLN HE22 1 44 LEU MD2 1.800 . 5.390 3.443 2.505 4.098 . 0 0 "[ . 1 . 2]" 1
923 1 37 GLN QG 1 44 LEU MD2 1.800 . 4.940 3.588 3.005 4.051 . 0 0 "[ . 1 . 2]" 1
924 1 37 GLN HG3 1 38 ASP H 1.800 . 4.610 3.963 3.461 4.423 . 0 0 "[ . 1 . 2]" 1
925 1 37 GLN HG3 1 39 ILE HB 1.800 . 5.500 4.327 3.646 4.911 . 0 0 "[ . 1 . 2]" 1
926 1 37 GLN HG3 1 39 ILE H 1.800 . 4.740 3.026 2.602 3.476 . 0 0 "[ . 1 . 2]" 1
927 1 37 GLN HG2 1 39 ILE H 1.800 . 4.740 4.514 4.180 4.801 0.061 13 0 "[ . 1 . 2]" 1
928 1 37 GLN H 1 37 GLN HB3 1.800 . 3.960 3.212 2.927 3.492 . 0 0 "[ . 1 . 2]" 1
929 1 37 GLN H 1 37 GLN HB2 1.800 . 3.960 3.809 3.680 3.939 . 0 0 "[ . 1 . 2]" 1
930 1 37 GLN H 1 37 GLN QG 1.800 . 3.300 2.170 1.878 2.466 . 0 0 "[ . 1 . 2]" 1
931 1 38 ASP HA 1 39 ILE H 1.800 . 3.410 3.299 3.053 3.442 0.032 8 0 "[ . 1 . 2]" 1
932 1 38 ASP QB 1 39 ILE HB 1.800 . 5.170 4.889 4.497 5.213 0.043 19 0 "[ . 1 . 2]" 1
933 1 38 ASP HB3 1 39 ILE QG 1.800 . 5.070 3.720 2.896 4.658 . 0 0 "[ . 1 . 2]" 1
934 1 38 ASP HB3 1 39 ILE H 1.800 . 4.530 3.940 2.965 4.419 . 0 0 "[ . 1 . 2]" 1
935 1 38 ASP HB2 1 39 ILE QG 1.800 . 5.070 3.292 2.468 4.581 . 0 0 "[ . 1 . 2]" 1
936 1 38 ASP HB2 1 39 ILE H 1.800 . 4.530 3.552 2.973 4.173 . 0 0 "[ . 1 . 2]" 1
937 1 38 ASP H 1 38 ASP HB3 1.800 . 3.810 3.426 2.494 3.680 . 0 0 "[ . 1 . 2]" 1
938 1 38 ASP H 1 38 ASP HB2 1.800 . 3.810 2.522 2.334 2.887 . 0 0 "[ . 1 . 2]" 1
939 1 38 ASP H 1 39 ILE HB 1.800 . 4.530 4.417 4.263 4.542 0.012 16 0 "[ . 1 . 2]" 1
940 1 38 ASP H 1 39 ILE MD 1.800 . 4.430 4.460 4.135 4.532 0.102 10 0 "[ . 1 . 2]" 1
941 1 38 ASP H 1 39 ILE HG13 1.800 . 5.500 3.498 3.343 4.875 . 0 0 "[ . 1 . 2]" 1
942 1 38 ASP H 1 39 ILE HG12 1.800 . 5.500 4.967 3.172 5.236 . 0 0 "[ . 1 . 2]" 1
943 1 38 ASP H 1 39 ILE MG 1.800 . 5.500 5.472 5.361 5.531 0.031 16 0 "[ . 1 . 2]" 1
944 1 38 ASP H 1 39 ILE H 1.800 . 2.730 2.242 2.014 2.582 . 0 0 "[ . 1 . 2]" 1
945 1 39 ILE HA 1 39 ILE MD 1.800 . 4.090 3.793 2.112 3.907 . 0 0 "[ . 1 . 2]" 1
946 1 39 ILE HA 1 39 ILE HG13 1.800 . 4.040 3.065 2.943 3.787 . 0 0 "[ . 1 . 2]" 1
947 1 39 ILE HA 1 39 ILE HG12 1.800 . 4.040 2.664 2.583 3.206 . 0 0 "[ . 1 . 2]" 1
948 1 39 ILE HA 1 39 ILE MG 1.800 . 3.390 2.358 2.324 2.388 . 0 0 "[ . 1 . 2]" 1
949 1 39 ILE HA 1 40 VAL MG1 1.800 . 4.410 3.646 3.534 3.753 . 0 0 "[ . 1 . 2]" 1
950 1 39 ILE HA 1 40 VAL H 1.800 . 2.630 2.181 2.144 2.210 . 0 0 "[ . 1 . 2]" 1
951 1 39 ILE HB 1 39 ILE MD 1.800 . 3.280 2.428 2.363 3.234 . 0 0 "[ . 1 . 2]" 1
952 1 39 ILE HB 1 40 VAL H 1.800 . 4.580 4.143 3.999 4.328 . 0 0 "[ . 1 . 2]" 1
953 1 39 ILE HB 1 41 THR MG 1.800 . 4.980 4.278 4.047 4.513 . 0 0 "[ . 1 . 2]" 1
954 1 39 ILE MD 1 40 VAL H 1.800 . 5.460 5.123 3.900 5.420 . 0 0 "[ . 1 . 2]" 1
955 1 39 ILE HG13 1 39 ILE MG 1.800 . 3.880 3.156 2.331 3.204 . 0 0 "[ . 1 . 2]" 1
956 1 39 ILE HG12 1 39 ILE MG 1.800 . 3.880 2.387 2.326 3.200 . 0 0 "[ . 1 . 2]" 1
957 1 39 ILE MG 1 40 VAL HA 1.800 . 4.480 3.871 3.676 4.228 . 0 0 "[ . 1 . 2]" 1
958 1 39 ILE MG 1 40 VAL MG2 1.800 . 4.660 3.770 3.636 4.005 . 0 0 "[ . 1 . 2]" 1
959 1 39 ILE MG 1 40 VAL H 1.800 . 5.000 2.693 2.443 3.082 . 0 0 "[ . 1 . 2]" 1
960 1 39 ILE MG 1 41 THR HA 1.800 . 4.560 3.988 3.702 4.199 . 0 0 "[ . 1 . 2]" 1
961 1 39 ILE MG 1 41 THR MG 1.800 . 3.400 3.238 2.978 3.437 0.037 6 0 "[ . 1 . 2]" 1
962 1 39 ILE MG 1 41 THR H 1.800 . 4.960 4.414 4.078 4.668 . 0 0 "[ . 1 . 2]" 1
963 1 39 ILE MG 1 42 PRO QD 1.800 . 5.500 5.041 4.798 5.288 . 0 0 "[ . 1 . 2]" 1
964 1 39 ILE H 1 39 ILE HB 1.800 . 3.020 2.602 2.500 2.707 . 0 0 "[ . 1 . 2]" 1
965 1 39 ILE H 1 39 ILE MD 1.800 . 4.330 3.735 3.328 4.055 . 0 0 "[ . 1 . 2]" 1
966 1 39 ILE H 1 39 ILE HG13 1.800 . 4.500 2.577 2.108 3.833 . 0 0 "[ . 1 . 2]" 1
967 1 39 ILE H 1 39 ILE HG12 1.800 . 4.500 3.699 2.391 3.986 . 0 0 "[ . 1 . 2]" 1
968 1 39 ILE H 1 39 ILE MG 1.800 . 3.900 3.827 3.780 3.877 . 0 0 "[ . 1 . 2]" 1
969 1 39 ILE H 1 40 VAL HA 1.800 . 5.160 4.931 4.708 5.151 . 0 0 "[ . 1 . 2]" 1
970 1 39 ILE H 1 40 VAL MG1 1.800 . 4.760 4.689 4.451 4.779 0.019 16 0 "[ . 1 . 2]" 1
971 1 39 ILE H 1 40 VAL H 1.800 . 4.470 4.400 4.211 4.495 0.025 8 0 "[ . 1 . 2]" 1
972 1 40 VAL HA 1 40 VAL MG1 1.800 . 3.210 2.419 2.387 2.482 . 0 0 "[ . 1 . 2]" 1
973 1 40 VAL HA 1 40 VAL MG2 1.800 . 3.300 3.210 3.201 3.217 . 0 0 "[ . 1 . 2]" 1
974 1 40 VAL HA 1 41 THR MG 1.800 . 4.700 3.804 3.604 4.057 . 0 0 "[ . 1 . 2]" 1
975 1 40 VAL HA 1 41 THR H 1.800 . 2.510 2.165 2.098 2.207 . 0 0 "[ . 1 . 2]" 1
976 1 40 VAL HA 1 44 LEU HB3 1.800 . 4.910 4.816 4.439 4.962 0.052 18 0 "[ . 1 . 2]" 1
977 1 40 VAL HA 1 44 LEU HB2 1.800 . 4.910 3.962 3.666 4.243 . 0 0 "[ . 1 . 2]" 1
978 1 40 VAL HA 1 44 LEU MD1 1.800 . 5.000 4.331 3.764 4.938 . 0 0 "[ . 1 . 2]" 1
979 1 40 VAL HA 1 44 LEU MD2 1.800 . 3.190 2.800 2.304 3.224 0.034 3 0 "[ . 1 . 2]" 1
980 1 40 VAL HB 1 44 LEU QB 1.800 . 4.360 3.161 2.890 3.483 . 0 0 "[ . 1 . 2]" 1
981 1 40 VAL HB 1 45 VAL MG2 1.800 . 4.730 3.335 3.037 3.561 . 0 0 "[ . 1 . 2]" 1
982 1 40 VAL MG2 1 41 THR HA 1.800 . 4.700 3.903 3.743 4.068 . 0 0 "[ . 1 . 2]" 1
983 1 40 VAL MG2 1 42 PRO HA 1.800 . 4.780 4.841 4.814 4.882 0.102 19 0 "[ . 1 . 2]" 1
984 1 40 VAL MG2 1 45 VAL HB 1.800 . 5.500 5.370 5.129 5.522 0.022 1 0 "[ . 1 . 2]" 1
985 1 40 VAL MG2 1 45 VAL MG2 1.800 . 3.210 2.901 2.729 3.032 . 0 0 "[ . 1 . 2]" 1
986 1 40 VAL H 1 40 VAL HB 1.800 . 3.750 3.735 3.678 3.770 0.020 11 0 "[ . 1 . 2]" 1
987 1 40 VAL H 1 40 VAL MG1 1.800 . 3.060 2.430 2.231 2.545 . 0 0 "[ . 1 . 2]" 1
988 1 40 VAL H 1 40 VAL MG2 1.800 . 3.950 2.153 2.088 2.299 . 0 0 "[ . 1 . 2]" 1
989 1 40 VAL H 1 41 THR H 1.800 . 4.540 4.490 4.436 4.541 0.001 6 0 "[ . 1 . 2]" 1
990 1 41 THR HA 1 41 THR MG 1.800 . 2.970 2.286 2.207 2.368 . 0 0 "[ . 1 . 2]" 1
991 1 41 THR HA 1 42 PRO HD3 1.800 . 3.180 2.554 2.100 2.644 . 0 0 "[ . 1 . 2]" 1
992 1 41 THR HA 1 42 PRO HD2 1.800 . 3.180 2.385 2.289 2.696 . 0 0 "[ . 1 . 2]" 1
993 1 41 THR HA 1 42 PRO HG3 1.800 . 4.940 4.625 4.285 4.705 . 0 0 "[ . 1 . 2]" 1
994 1 41 THR HA 1 42 PRO HG2 1.800 . 4.940 4.522 4.445 4.591 . 0 0 "[ . 1 . 2]" 1
995 1 41 THR HA 1 43 GLU H 1.800 . 5.160 4.126 3.929 4.520 . 0 0 "[ . 1 . 2]" 1
996 1 41 THR HA 1 44 LEU H 1.800 . 4.890 4.775 4.578 4.907 0.017 6 0 "[ . 1 . 2]" 1
997 1 41 THR HB 1 42 PRO QB 1.800 . 5.500 4.654 4.264 4.795 . 0 0 "[ . 1 . 2]" 1
998 1 41 THR HB 1 42 PRO HD3 1.800 . 4.340 3.534 3.285 3.717 . 0 0 "[ . 1 . 2]" 1
999 1 41 THR HB 1 42 PRO HD2 1.800 . 4.340 1.986 1.820 2.174 . 0 0 "[ . 1 . 2]" 1
1000 1 41 THR HB 1 43 GLU QB 1.800 . 4.640 3.500 2.910 4.722 0.082 7 0 "[ . 1 . 2]" 1
1001 1 41 THR HB 1 43 GLU H 1.800 . 3.500 2.592 2.411 2.976 . 0 0 "[ . 1 . 2]" 1
1002 1 41 THR HB 1 44 LEU MD2 1.800 . 5.500 5.311 4.883 5.520 0.020 10 0 "[ . 1 . 2]" 1
1003 1 41 THR MG 1 42 PRO HD3 1.800 . 4.330 3.799 3.400 4.061 . 0 0 "[ . 1 . 2]" 1
1004 1 41 THR MG 1 42 PRO HD2 1.800 . 4.330 2.839 2.520 3.164 . 0 0 "[ . 1 . 2]" 1
1005 1 41 THR MG 1 43 GLU H 1.800 . 5.090 4.210 4.057 4.540 . 0 0 "[ . 1 . 2]" 1
1006 1 41 THR MG 1 44 LEU MD1 1.800 . 5.000 3.688 3.259 4.187 . 0 0 "[ . 1 . 2]" 1
1007 1 41 THR H 1 41 THR MG 1.800 . 3.030 2.759 2.507 3.046 0.016 3 0 "[ . 1 . 2]" 1
1008 1 41 THR H 1 43 GLU H 1.800 . 5.280 4.769 4.493 5.145 . 0 0 "[ . 1 . 2]" 1
1009 1 41 THR H 1 44 LEU HB3 1.800 . 4.660 4.262 3.643 4.507 . 0 0 "[ . 1 . 2]" 1
1010 1 41 THR H 1 44 LEU HB2 1.800 . 4.660 2.778 2.409 2.988 . 0 0 "[ . 1 . 2]" 1
1011 1 41 THR H 1 44 LEU MD1 1.800 . 3.860 3.035 2.527 3.656 . 0 0 "[ . 1 . 2]" 1
1012 1 41 THR H 1 44 LEU MD2 1.800 . 3.200 2.699 2.289 3.011 . 0 0 "[ . 1 . 2]" 1
1013 1 41 THR H 1 44 LEU H 1.800 . 3.930 3.676 3.452 4.011 0.081 3 0 "[ . 1 . 2]" 1
1014 1 42 PRO HA 1 44 LEU H 1.800 . 4.910 4.381 4.221 4.595 . 0 0 "[ . 1 . 2]" 1
1015 1 42 PRO HA 1 45 VAL HB 1.800 . 3.700 2.620 2.288 2.988 . 0 0 "[ . 1 . 2]" 1
1016 1 42 PRO HA 1 45 VAL MG1 1.800 . 4.870 3.916 3.564 4.241 . 0 0 "[ . 1 . 2]" 1
1017 1 42 PRO HA 1 45 VAL MG2 1.800 . 3.110 2.535 2.276 2.782 . 0 0 "[ . 1 . 2]" 1
1018 1 42 PRO HA 1 45 VAL H 1.800 . 3.730 3.323 3.134 3.510 . 0 0 "[ . 1 . 2]" 1
1019 1 42 PRO QB 1 43 GLU H 1.800 . 4.130 3.195 2.736 3.362 . 0 0 "[ . 1 . 2]" 1
1020 1 42 PRO QB 1 45 VAL MG2 1.800 . 4.900 4.007 3.706 4.238 . 0 0 "[ . 1 . 2]" 1
1021 1 42 PRO QB 1 46 GLU QB 1.800 . 5.500 4.194 3.917 4.954 . 0 0 "[ . 1 . 2]" 1
1022 1 42 PRO QD 1 43 GLU QB 1.800 . 5.070 4.519 4.043 5.085 0.015 7 0 "[ . 1 . 2]" 1
1023 1 42 PRO HD3 1 43 GLU H 1.800 . 4.160 4.029 3.956 4.177 0.017 3 0 "[ . 1 . 2]" 1
1024 1 42 PRO HD2 1 43 GLU H 1.800 . 4.160 3.006 2.920 3.202 . 0 0 "[ . 1 . 2]" 1
1025 1 42 PRO HG3 1 43 GLU H 1.800 . 4.840 4.156 3.978 4.670 . 0 0 "[ . 1 . 2]" 1
1026 1 42 PRO HG2 1 43 GLU H 1.800 . 4.840 2.722 2.449 4.153 . 0 0 "[ . 1 . 2]" 1
1027 1 43 GLU HA 1 43 GLU QG 1.800 . 3.400 2.732 2.330 3.477 0.077 3 0 "[ . 1 . 2]" 1
1028 1 43 GLU HA 1 45 VAL H 1.800 . 4.840 4.425 4.048 4.649 . 0 0 "[ . 1 . 2]" 1
1029 1 43 GLU HA 1 46 GLU QB 1.800 . 4.350 2.883 2.029 3.716 . 0 0 "[ . 1 . 2]" 1
1030 1 43 GLU HA 1 46 GLU H 1.800 . 4.210 3.534 3.008 3.935 . 0 0 "[ . 1 . 2]" 1
1031 1 43 GLU HA 1 47 GLN H 1.800 . 4.830 3.951 3.642 4.260 . 0 0 "[ . 1 . 2]" 1
1032 1 43 GLU QB 1 44 LEU MD1 1.800 . 4.690 2.736 2.263 4.127 . 0 0 "[ . 1 . 2]" 1
1033 1 43 GLU HB3 1 44 LEU H 1.800 . 4.480 3.387 2.251 4.376 . 0 0 "[ . 1 . 2]" 1
1034 1 43 GLU HB2 1 44 LEU H 1.800 . 4.480 2.986 2.164 4.145 . 0 0 "[ . 1 . 2]" 1
1035 1 43 GLU H 1 43 GLU HB3 1.800 . 3.700 3.224 2.340 3.623 . 0 0 "[ . 1 . 2]" 1
1036 1 43 GLU H 1 43 GLU HB2 1.800 . 3.700 2.661 2.329 3.662 . 0 0 "[ . 1 . 2]" 1
1037 1 43 GLU H 1 43 GLU QG 1.800 . 5.000 2.796 1.749 3.957 0.051 7 0 "[ . 1 . 2]" 1
1038 1 43 GLU H 1 44 LEU H 1.800 . 3.280 2.685 2.454 2.836 . 0 0 "[ . 1 . 2]" 1
1039 1 43 GLU H 1 45 VAL MG2 1.800 . 5.400 4.582 4.421 4.736 . 0 0 "[ . 1 . 2]" 1
1040 1 43 GLU H 1 45 VAL H 1.800 . 4.610 4.023 3.893 4.154 . 0 0 "[ . 1 . 2]" 1
1041 1 44 LEU HA 1 44 LEU MD2 1.800 . 3.790 3.785 3.756 3.805 0.015 5 0 "[ . 1 . 2]" 1
1042 1 44 LEU HA 1 44 LEU HG 1.800 . 3.920 2.499 2.410 2.552 . 0 0 "[ . 1 . 2]" 1
1043 1 44 LEU HA 1 45 VAL MG2 1.800 . 5.300 4.945 4.900 5.009 . 0 0 "[ . 1 . 2]" 1
1044 1 44 LEU HA 1 47 GLN QB 1.800 . 3.410 2.306 2.091 2.570 . 0 0 "[ . 1 . 2]" 1
1045 1 44 LEU HA 1 47 GLN QG 1.800 . 4.510 3.467 2.809 4.089 . 0 0 "[ . 1 . 2]" 1
1046 1 44 LEU HA 1 47 GLN H 1.800 . 3.560 3.346 3.202 3.443 . 0 0 "[ . 1 . 2]" 1
1047 1 44 LEU HB3 1 44 LEU MD1 1.800 . 3.880 3.208 3.198 3.213 . 0 0 "[ . 1 . 2]" 1
1048 1 44 LEU HB3 1 44 LEU MD2 1.800 . 3.460 2.335 2.297 2.373 . 0 0 "[ . 1 . 2]" 1
1049 1 44 LEU HB3 1 45 VAL H 1.800 . 3.900 3.330 2.973 3.479 . 0 0 "[ . 1 . 2]" 1
1050 1 44 LEU HB2 1 44 LEU MD1 1.800 . 3.880 2.407 2.351 2.460 . 0 0 "[ . 1 . 2]" 1
1051 1 44 LEU HB2 1 44 LEU MD2 1.800 . 3.460 2.361 2.315 2.430 . 0 0 "[ . 1 . 2]" 1
1052 1 44 LEU HB2 1 45 VAL H 1.800 . 3.900 2.843 2.717 2.945 . 0 0 "[ . 1 . 2]" 1
1053 1 44 LEU MD1 1 45 VAL H 1.800 . 5.150 4.209 4.107 4.418 . 0 0 "[ . 1 . 2]" 1
1054 1 44 LEU MD1 1 47 GLN QB 1.800 . 5.140 3.880 3.465 4.342 . 0 0 "[ . 1 . 2]" 1
1055 1 44 LEU MD1 1 47 GLN QG 1.800 . 4.310 4.118 3.588 4.359 0.049 12 0 "[ . 1 . 2]" 1
1056 1 44 LEU MD1 1 47 GLN H 1.800 . 5.500 4.978 4.766 5.141 . 0 0 "[ . 1 . 2]" 1
1057 1 44 LEU MD2 1 45 VAL H 1.800 . 5.280 4.709 4.594 4.812 . 0 0 "[ . 1 . 2]" 1
1058 1 44 LEU HG 1 45 VAL H 1.800 . 5.360 5.106 4.954 5.177 . 0 0 "[ . 1 . 2]" 1
1059 1 44 LEU H 1 44 LEU HB3 1.800 . 3.530 3.493 3.350 3.529 . 0 0 "[ . 1 . 2]" 1
1060 1 44 LEU H 1 44 LEU HB2 1.800 . 3.530 2.203 2.087 2.251 . 0 0 "[ . 1 . 2]" 1
1061 1 44 LEU H 1 44 LEU MD1 1.800 . 3.770 2.370 2.176 2.807 . 0 0 "[ . 1 . 2]" 1
1062 1 44 LEU H 1 44 LEU MD2 1.800 . 4.070 3.883 3.787 4.079 0.009 3 0 "[ . 1 . 2]" 1
1063 1 44 LEU H 1 44 LEU HG 1.800 . 4.270 4.042 3.905 4.323 0.053 4 0 "[ . 1 . 2]" 1
1064 1 44 LEU H 1 45 VAL HA 1.800 . 5.300 5.211 5.144 5.297 . 0 0 "[ . 1 . 2]" 1
1065 1 44 LEU H 1 45 VAL HB 1.800 . 5.110 4.842 4.676 4.975 . 0 0 "[ . 1 . 2]" 1
1066 1 44 LEU H 1 45 VAL MG2 1.800 . 5.000 3.878 3.776 3.989 . 0 0 "[ . 1 . 2]" 1
1067 1 44 LEU H 1 45 VAL H 1.800 . 2.870 2.582 2.496 2.695 . 0 0 "[ . 1 . 2]" 1
1068 1 44 LEU H 1 46 GLU H 1.800 . 4.840 4.170 3.901 4.439 . 0 0 "[ . 1 . 2]" 1
1069 1 45 VAL HA 1 45 VAL MG1 1.800 . 2.750 2.380 2.327 2.444 . 0 0 "[ . 1 . 2]" 1
1070 1 45 VAL HA 1 45 VAL MG2 1.800 . 3.080 2.412 2.355 2.463 . 0 0 "[ . 1 . 2]" 1
1071 1 45 VAL HA 1 47 GLN H 1.800 . 4.740 4.535 4.236 4.707 . 0 0 "[ . 1 . 2]" 1
1072 1 45 VAL HA 1 48 ALA MB 1.800 . 3.610 3.067 2.702 3.493 . 0 0 "[ . 1 . 2]" 1
1073 1 45 VAL HA 1 48 ALA H 1.800 . 3.970 3.688 3.470 3.990 0.020 6 0 "[ . 1 . 2]" 1
1074 1 45 VAL HA 1 49 ARG H 1.800 . 4.930 4.473 4.153 4.801 . 0 0 "[ . 1 . 2]" 1
1075 1 45 VAL HB 1 46 GLU H 1.800 . 2.970 2.448 2.317 2.524 . 0 0 "[ . 1 . 2]" 1
1076 1 45 VAL MG1 1 46 GLU H 1.800 . 3.840 3.398 3.133 3.528 . 0 0 "[ . 1 . 2]" 1
1077 1 45 VAL MG1 1 48 ALA MB 1.800 . 5.050 3.885 3.570 4.397 . 0 0 "[ . 1 . 2]" 1
1078 1 45 VAL MG1 1 49 ARG QB 1.800 . 4.520 3.602 3.310 3.896 . 0 0 "[ . 1 . 2]" 1
1079 1 45 VAL MG1 1 49 ARG H 1.800 . 4.890 4.374 4.156 4.613 . 0 0 "[ . 1 . 2]" 1
1080 1 45 VAL MG2 1 46 GLU H 1.800 . 3.920 3.697 3.632 3.771 . 0 0 "[ . 1 . 2]" 1
1081 1 45 VAL H 1 45 VAL HB 1.800 . 2.840 2.596 2.515 2.658 . 0 0 "[ . 1 . 2]" 1
1082 1 45 VAL H 1 45 VAL MG1 1.800 . 3.800 3.772 3.758 3.783 . 0 0 "[ . 1 . 2]" 1
1083 1 45 VAL H 1 45 VAL MG2 1.800 . 2.700 1.985 1.912 2.055 . 0 0 "[ . 1 . 2]" 1
1084 1 45 VAL H 1 46 GLU H 1.800 . 3.050 2.710 2.629 2.849 . 0 0 "[ . 1 . 2]" 1
1085 1 45 VAL H 1 47 GLN H 1.800 . 4.310 4.054 3.825 4.310 . 0 0 "[ . 1 . 2]" 1
1086 1 46 GLU HA 1 46 GLU QG 1.800 . 3.740 2.646 2.297 3.328 . 0 0 "[ . 1 . 2]" 1
1087 1 46 GLU HA 1 48 ALA H 1.800 . 5.070 4.491 4.218 4.756 . 0 0 "[ . 1 . 2]" 1
1088 1 46 GLU HA 1 49 ARG HB3 1.800 . 4.320 2.618 2.227 3.055 . 0 0 "[ . 1 . 2]" 1
1089 1 46 GLU HA 1 49 ARG HB2 1.800 . 4.320 3.247 2.423 3.994 . 0 0 "[ . 1 . 2]" 1
1090 1 46 GLU HA 1 49 ARG H 1.800 . 3.960 3.307 2.869 3.643 . 0 0 "[ . 1 . 2]" 1
1091 1 46 GLU QB 1 47 GLN H 1.800 . 3.720 2.536 2.186 3.662 . 0 0 "[ . 1 . 2]" 1
1092 1 46 GLU QB 1 50 LEU MD2 1.800 . 4.810 4.502 3.816 4.894 0.084 4 0 "[ . 1 . 2]" 1
1093 1 46 GLU QG 1 47 GLN H 1.800 . 4.580 3.687 2.599 4.040 . 0 0 "[ . 1 . 2]" 1
1094 1 46 GLU QG 1 50 LEU HB3 1.800 . 5.430 5.204 4.737 5.497 0.067 7 0 "[ . 1 . 2]" 1
1095 1 46 GLU QG 1 50 LEU HB2 1.800 . 5.430 3.696 3.182 4.102 . 0 0 "[ . 1 . 2]" 1
1096 1 46 GLU QG 1 50 LEU MD2 1.800 . 3.540 2.850 2.071 3.620 0.080 3 0 "[ . 1 . 2]" 1
1097 1 46 GLU H 1 46 GLU QB 1.800 . 2.890 2.234 2.158 2.444 . 0 0 "[ . 1 . 2]" 1
1098 1 46 GLU H 1 46 GLU QG 1.800 . 4.420 3.932 2.422 4.058 . 0 0 "[ . 1 . 2]" 1
1099 1 46 GLU H 1 47 GLN HA 1.800 . 5.410 5.246 5.072 5.421 0.011 4 0 "[ . 1 . 2]" 1
1100 1 46 GLU H 1 47 GLN H 1.800 . 3.230 2.652 2.470 2.872 . 0 0 "[ . 1 . 2]" 1
1101 1 46 GLU H 1 48 ALA MB 1.800 . 5.500 5.020 4.845 5.298 . 0 0 "[ . 1 . 2]" 1
1102 1 47 GLN HA 1 47 GLN HG3 1.800 . 3.870 3.508 3.094 3.689 . 0 0 "[ . 1 . 2]" 1
1103 1 47 GLN HA 1 47 GLN HG2 1.800 . 3.870 2.854 2.293 3.833 . 0 0 "[ . 1 . 2]" 1
1104 1 47 GLN HA 1 50 LEU HB3 1.800 . 4.240 3.500 2.670 4.198 . 0 0 "[ . 1 . 2]" 1
1105 1 47 GLN HA 1 50 LEU HB2 1.800 . 4.240 2.672 2.206 3.125 . 0 0 "[ . 1 . 2]" 1
1106 1 47 GLN HA 1 50 LEU MD2 1.800 . 4.610 4.186 3.402 4.693 0.083 6 0 "[ . 1 . 2]" 1
1107 1 47 GLN HA 1 50 LEU H 1.800 . 4.200 3.372 3.111 3.555 . 0 0 "[ . 1 . 2]" 1
1108 1 47 GLN QB 1 47 GLN HE21 1.800 . 4.300 2.717 1.755 4.010 0.045 9 0 "[ . 1 . 2]" 1
1109 1 47 GLN QB 1 47 GLN HE22 1.800 . 5.030 3.761 3.350 4.432 . 0 0 "[ . 1 . 2]" 1
1110 1 47 GLN QB 1 48 ALA MB 1.800 . 4.430 3.763 3.609 3.975 . 0 0 "[ . 1 . 2]" 1
1111 1 47 GLN HB3 1 48 ALA H 1.800 . 4.390 2.766 2.377 3.394 . 0 0 "[ . 1 . 2]" 1
1112 1 47 GLN HB2 1 48 ALA H 1.800 . 5.000 3.243 2.436 3.827 . 0 0 "[ . 1 . 2]" 1
1113 1 47 GLN HE21 1 48 ALA HA 1.800 . 5.110 4.581 2.973 5.203 0.093 19 0 "[ . 1 . 2]" 1
1114 1 47 GLN HE21 1 50 LEU HB3 1.800 . 5.500 4.356 2.523 5.522 0.022 9 0 "[ . 1 . 2]" 1
1115 1 47 GLN HE21 1 50 LEU HB2 1.800 . 5.500 4.690 3.359 5.622 0.122 9 0 "[ . 1 . 2]" 1
1116 1 47 GLN QG 1 48 ALA H 1.800 . 4.840 4.087 3.283 4.543 . 0 0 "[ . 1 . 2]" 1
1117 1 47 GLN H 1 47 GLN HB3 1.800 . 3.520 3.071 2.475 3.572 0.052 16 0 "[ . 1 . 2]" 1
1118 1 47 GLN H 1 47 GLN HB2 1.800 . 3.520 2.299 2.072 2.536 . 0 0 "[ . 1 . 2]" 1
1119 1 47 GLN H 1 47 GLN HG3 1.800 . 5.180 4.188 3.584 4.537 . 0 0 "[ . 1 . 2]" 1
1120 1 47 GLN H 1 47 GLN HG2 1.800 . 5.180 3.662 2.399 4.615 . 0 0 "[ . 1 . 2]" 1
1121 1 47 GLN H 1 48 ALA MB 1.800 . 4.560 4.497 4.342 4.570 0.010 16 0 "[ . 1 . 2]" 1
1122 1 47 GLN H 1 49 ARG H 1.800 . 4.570 4.034 3.756 4.246 . 0 0 "[ . 1 . 2]" 1
1123 1 48 ALA HA 1 50 LEU H 1.800 . 4.680 4.240 3.930 4.601 . 0 0 "[ . 1 . 2]" 1
1124 1 48 ALA HA 1 51 GLU QB 1.800 . 4.770 2.792 2.391 3.944 . 0 0 "[ . 1 . 2]" 1
1125 1 48 ALA HA 1 51 GLU HG3 1.800 . 4.460 2.753 1.995 3.321 . 0 0 "[ . 1 . 2]" 1
1126 1 48 ALA HA 1 51 GLU HG2 1.800 . 4.460 2.936 1.972 4.480 0.020 10 0 "[ . 1 . 2]" 1
1127 1 48 ALA HA 1 52 PHE QD 1.800 . 5.420 4.496 4.152 5.091 . 0 0 "[ . 1 . 2]" 1
1128 1 48 ALA MB 1 49 ARG H 1.800 . 3.390 2.680 2.514 2.784 . 0 0 "[ . 1 . 2]" 1
1129 1 48 ALA MB 1 51 GLU QG 1.800 . 4.720 3.778 3.210 4.369 . 0 0 "[ . 1 . 2]" 1
1130 1 48 ALA MB 1 52 PHE QD 1.800 . 5.030 3.627 3.237 4.128 . 0 0 "[ . 1 . 2]" 1
1131 1 48 ALA H 1 48 ALA MB 1.800 . 2.670 2.239 2.228 2.251 . 0 0 "[ . 1 . 2]" 1
1132 1 48 ALA H 1 49 ARG H 1.800 . 3.190 2.641 2.548 2.725 . 0 0 "[ . 1 . 2]" 1
1133 1 49 ARG HA 1 49 ARG HD3 1.800 . 4.500 4.318 2.840 4.625 0.125 20 0 "[ . 1 . 2]" 1
1134 1 49 ARG HA 1 49 ARG HG3 1.800 . 3.850 2.735 2.478 3.637 . 0 0 "[ . 1 . 2]" 1
1135 1 49 ARG HA 1 49 ARG HG2 1.800 . 3.850 3.062 2.392 3.811 . 0 0 "[ . 1 . 2]" 1
1136 1 49 ARG HA 1 51 GLU H 1.800 . 4.950 4.373 4.203 4.750 . 0 0 "[ . 1 . 2]" 1
1137 1 49 ARG HA 1 52 PHE QB 1.800 . 4.400 3.151 2.808 3.541 . 0 0 "[ . 1 . 2]" 1
1138 1 49 ARG HA 1 52 PHE QD 1.800 . 4.040 2.936 2.271 3.228 . 0 0 "[ . 1 . 2]" 1
1139 1 49 ARG HA 1 52 PHE H 1.800 . 4.490 3.556 3.210 3.845 . 0 0 "[ . 1 . 2]" 1
1140 1 49 ARG HA 1 53 GLY H 1.800 . 5.040 4.211 3.863 4.581 . 0 0 "[ . 1 . 2]" 1
1141 1 49 ARG QB 1 50 LEU H 1.800 . 3.570 2.675 2.448 2.922 . 0 0 "[ . 1 . 2]" 1
1142 1 49 ARG QB 1 52 PHE QB 1.800 . 5.500 4.955 4.587 5.260 . 0 0 "[ . 1 . 2]" 1
1143 1 49 ARG QB 1 52 PHE QD 1.800 . 5.500 4.772 4.135 5.062 . 0 0 "[ . 1 . 2]" 1
1144 1 49 ARG QG 1 50 LEU MD2 1.800 . 5.130 3.881 2.767 4.924 . 0 0 "[ . 1 . 2]" 1
1145 1 49 ARG QG 1 52 PHE QB 1.800 . 5.100 4.171 3.714 4.578 . 0 0 "[ . 1 . 2]" 1
1146 1 49 ARG QG 1 52 PHE QD 1.800 . 4.790 4.746 4.456 4.840 0.050 14 0 "[ . 1 . 2]" 1
1147 1 49 ARG QG 1 52 PHE H 1.800 . 5.290 4.998 4.731 5.347 0.057 9 0 "[ . 1 . 2]" 1
1148 1 49 ARG QG 1 53 GLY H 1.800 . 5.450 4.383 3.940 5.101 . 0 0 "[ . 1 . 2]" 1
1149 1 49 ARG H 1 49 ARG HB3 1.800 . 3.300 2.514 2.379 2.697 . 0 0 "[ . 1 . 2]" 1
1150 1 49 ARG H 1 49 ARG HB2 1.800 . 3.300 2.553 2.305 2.683 . 0 0 "[ . 1 . 2]" 1
1151 1 49 ARG H 1 49 ARG QD 1.800 . 5.500 4.466 4.205 4.849 . 0 0 "[ . 1 . 2]" 1
1152 1 49 ARG H 1 49 ARG HG3 1.800 . 4.970 4.476 4.301 4.631 . 0 0 "[ . 1 . 2]" 1
1153 1 49 ARG H 1 49 ARG HG2 1.800 . 4.970 4.456 4.361 4.616 . 0 0 "[ . 1 . 2]" 1
1154 1 49 ARG H 1 50 LEU H 1.800 . 3.460 2.466 2.311 2.625 . 0 0 "[ . 1 . 2]" 1
1155 1 49 ARG H 1 51 GLU H 1.800 . 4.590 3.974 3.796 4.185 . 0 0 "[ . 1 . 2]" 1
1156 1 50 LEU HA 1 50 LEU MD2 1.800 . 3.980 2.028 1.789 2.490 0.011 9 0 "[ . 1 . 2]" 1
1157 1 50 LEU HA 1 50 LEU HG 1.800 . 3.800 3.633 3.583 3.688 . 0 0 "[ . 1 . 2]" 1
1158 1 50 LEU QB 1 51 GLU QG 1.800 . 5.350 3.679 3.231 4.293 . 0 0 "[ . 1 . 2]" 1
1159 1 50 LEU QB 1 53 GLY H 1.800 . 5.270 4.640 4.395 4.833 . 0 0 "[ . 1 . 2]" 1
1160 1 50 LEU QB 1 54 GLN H 1.800 . 5.500 4.942 4.309 5.434 . 0 0 "[ . 1 . 2]" 1
1161 1 50 LEU HB3 1 50 LEU MD1 1.800 . 3.880 2.370 2.305 2.415 . 0 0 "[ . 1 . 2]" 1
1162 1 50 LEU HB3 1 50 LEU MD2 1.800 . 3.430 3.194 3.186 3.200 . 0 0 "[ . 1 . 2]" 1
1163 1 50 LEU HB3 1 51 GLU H 1.800 . 3.920 2.885 2.470 3.550 . 0 0 "[ . 1 . 2]" 1
1164 1 50 LEU HB2 1 50 LEU MD1 1.800 . 3.880 3.198 3.183 3.211 . 0 0 "[ . 1 . 2]" 1
1165 1 50 LEU HB2 1 50 LEU MD2 1.800 . 3.430 2.364 2.325 2.440 . 0 0 "[ . 1 . 2]" 1
1166 1 50 LEU HB2 1 51 GLU H 1.800 . 3.920 3.292 3.041 3.451 . 0 0 "[ . 1 . 2]" 1
1167 1 50 LEU MD1 1 52 PHE H 1.800 . 5.320 5.365 5.221 5.447 0.127 5 0 "[ . 1 . 2]" 1
1168 1 50 LEU MD1 1 53 GLY QA 1.800 . 5.250 3.494 2.707 4.193 . 0 0 "[ . 1 . 2]" 1
1169 1 50 LEU MD1 1 53 GLY H 1.800 . 5.070 4.154 3.888 4.454 . 0 0 "[ . 1 . 2]" 1
1170 1 50 LEU MD1 1 54 GLN QG 1.800 . 3.760 2.459 1.982 2.867 . 0 0 "[ . 1 . 2]" 1
1171 1 50 LEU MD1 1 54 GLN H 1.800 . 5.330 3.802 3.177 4.099 . 0 0 "[ . 1 . 2]" 1
1172 1 50 LEU MD2 1 53 GLY QA 1.800 . 4.010 4.049 3.963 4.093 0.083 12 0 "[ . 1 . 2]" 1
1173 1 50 LEU MD2 1 54 GLN QG 1.800 . 4.970 4.502 3.720 4.990 0.020 14 0 "[ . 1 . 2]" 1
1174 1 50 LEU HG 1 54 GLN QG 1.800 . 5.340 4.882 4.495 5.380 0.040 6 0 "[ . 1 . 2]" 1
1175 1 50 LEU H 1 50 LEU HB3 1.800 . 3.570 3.127 2.858 3.478 . 0 0 "[ . 1 . 2]" 1
1176 1 50 LEU H 1 50 LEU HB2 1.800 . 3.570 2.123 2.064 2.203 . 0 0 "[ . 1 . 2]" 1
1177 1 50 LEU H 1 50 LEU MD1 1.800 . 4.420 4.186 3.889 4.310 . 0 0 "[ . 1 . 2]" 1
1178 1 50 LEU H 1 50 LEU MD2 1.800 . 3.850 3.220 2.603 3.658 . 0 0 "[ . 1 . 2]" 1
1179 1 50 LEU H 1 51 GLU H 1.800 . 3.050 2.555 2.417 2.711 . 0 0 "[ . 1 . 2]" 1
1180 1 51 GLU HA 1 51 GLU HG3 1.800 . 3.960 3.662 3.029 3.848 . 0 0 "[ . 1 . 2]" 1
1181 1 51 GLU HA 1 51 GLU HG2 1.800 . 3.960 2.955 2.456 3.769 . 0 0 "[ . 1 . 2]" 1
1182 1 51 GLU QB 1 53 GLY H 1.800 . 5.110 4.388 4.177 5.047 . 0 0 "[ . 1 . 2]" 1
1183 1 51 GLU HB3 1 52 PHE QD 1.800 . 5.500 4.645 4.010 5.522 0.022 1 0 "[ . 1 . 2]" 1
1184 1 51 GLU HB3 1 52 PHE H 1.800 . 4.210 3.446 3.228 4.042 . 0 0 "[ . 1 . 2]" 1
1185 1 51 GLU HB2 1 52 PHE QD 1.800 . 5.500 3.787 3.112 4.469 . 0 0 "[ . 1 . 2]" 1
1186 1 51 GLU HB2 1 52 PHE H 1.800 . 4.210 2.546 2.221 3.835 . 0 0 "[ . 1 . 2]" 1
1187 1 51 GLU QG 1 52 PHE H 1.800 . 4.880 3.815 2.183 4.148 . 0 0 "[ . 1 . 2]" 1
1188 1 51 GLU H 1 51 GLU HB3 1.800 . 4.110 3.492 2.591 3.606 . 0 0 "[ . 1 . 2]" 1
1189 1 51 GLU H 1 51 GLU HB2 1.800 . 4.110 2.600 2.367 3.625 . 0 0 "[ . 1 . 2]" 1
1190 1 51 GLU H 1 52 PHE HA 1.800 . 5.500 5.396 5.273 5.507 0.007 13 0 "[ . 1 . 2]" 1
1191 1 51 GLU H 1 52 PHE QB 1.800 . 5.500 4.855 4.680 5.078 . 0 0 "[ . 1 . 2]" 1
1192 1 51 GLU H 1 52 PHE H 1.800 . 3.350 2.830 2.659 2.998 . 0 0 "[ . 1 . 2]" 1
1193 1 51 GLU H 1 53 GLY H 1.800 . 4.730 3.853 3.620 3.970 . 0 0 "[ . 1 . 2]" 1
1194 1 52 PHE HA 1 52 PHE QD 1.800 . 4.180 2.402 1.871 2.710 . 0 0 "[ . 1 . 2]" 1
1195 1 52 PHE HA 1 52 PHE QE 1.800 . 5.500 4.419 4.242 4.541 . 0 0 "[ . 1 . 2]" 1
1196 1 52 PHE HA 1 54 GLN H 1.800 . 4.570 3.980 3.664 4.562 . 0 0 "[ . 1 . 2]" 1
1197 1 52 PHE HA 1 55 LEU QB 1.800 . 4.910 2.540 1.847 4.549 . 0 0 "[ . 1 . 2]" 1
1198 1 52 PHE HA 1 55 LEU MD1 1.800 . 4.760 2.670 2.003 3.317 . 0 0 "[ . 1 . 2]" 1
1199 1 52 PHE HA 1 55 LEU H 1.800 . 4.400 3.026 2.496 3.583 . 0 0 "[ . 1 . 2]" 1
1200 1 52 PHE HA 1 56 GLU H 1.800 . 4.760 3.658 2.644 4.583 . 0 0 "[ . 1 . 2]" 1
1201 1 52 PHE QB 1 56 GLU H 1.800 . 5.450 4.545 3.567 5.512 0.062 14 0 "[ . 1 . 2]" 1
1202 1 52 PHE HB3 1 53 GLY H 1.800 . 4.270 3.923 3.719 4.232 . 0 0 "[ . 1 . 2]" 1
1203 1 52 PHE HB3 1 55 LEU MD1 1.800 . 5.500 4.280 3.307 5.317 . 0 0 "[ . 1 . 2]" 1
1204 1 52 PHE HB2 1 53 GLY H 1.800 . 4.270 3.040 2.780 3.443 . 0 0 "[ . 1 . 2]" 1
1205 1 52 PHE HB2 1 55 LEU MD1 1.800 . 5.500 4.961 4.384 5.566 0.066 12 0 "[ . 1 . 2]" 1
1206 1 52 PHE QD 1 53 GLY H 1.800 . 5.060 4.475 4.342 4.705 . 0 0 "[ . 1 . 2]" 1
1207 1 52 PHE QD 1 55 LEU QB 1.800 . 4.800 3.559 2.675 4.844 0.044 8 0 "[ . 1 . 2]" 1
1208 1 52 PHE QD 1 55 LEU MD1 1.800 . 4.240 2.821 1.965 3.843 . 0 0 "[ . 1 . 2]" 1
1209 1 52 PHE H 1 52 PHE HB3 1.800 . 3.920 3.613 3.598 3.630 . 0 0 "[ . 1 . 2]" 1
1210 1 52 PHE H 1 52 PHE HB2 1.800 . 3.920 2.443 2.375 2.610 . 0 0 "[ . 1 . 2]" 1
1211 1 52 PHE H 1 52 PHE QD 1.800 . 3.930 2.897 2.582 3.226 . 0 0 "[ . 1 . 2]" 1
1212 1 52 PHE H 1 53 GLY QA 1.800 . 5.000 4.370 4.213 4.486 . 0 0 "[ . 1 . 2]" 1
1213 1 52 PHE H 1 55 LEU MD1 1.800 . 5.500 4.484 3.906 5.549 0.049 13 0 "[ . 1 . 2]" 1
1214 1 53 GLY QA 1 54 GLN H 1.800 . 3.330 2.775 2.606 2.916 . 0 0 "[ . 1 . 2]" 1
1215 1 53 GLY QA 1 55 LEU H 1.800 . 4.550 3.989 3.573 4.374 . 0 0 "[ . 1 . 2]" 1
1216 1 53 GLY H 1 54 GLN HA 1.800 . 5.480 5.209 4.903 5.336 . 0 0 "[ . 1 . 2]" 1
1217 1 53 GLY H 1 54 GLN QG 1.800 . 5.500 4.284 3.888 4.664 . 0 0 "[ . 1 . 2]" 1
1218 1 54 GLN HA 1 54 GLN QG 1.800 . 3.930 2.785 2.363 3.348 . 0 0 "[ . 1 . 2]" 1
1219 1 54 GLN QB 1 54 GLN QG 1.800 . 2.430 2.028 1.981 2.088 . 0 0 "[ . 1 . 2]" 1
1220 1 54 GLN QB 1 55 LEU H 1.800 . 3.630 2.871 2.513 3.713 0.083 17 0 "[ . 1 . 2]" 1
1221 1 54 GLN QG 1 55 LEU H 1.800 . 4.530 4.099 2.776 4.559 0.029 13 0 "[ . 1 . 2]" 1
1222 1 54 GLN H 1 54 GLN QB 1.800 . 3.480 2.434 2.330 2.695 . 0 0 "[ . 1 . 2]" 1
1223 1 54 GLN H 1 54 GLN QG 1.800 . 3.670 2.494 1.918 3.037 . 0 0 "[ . 1 . 2]" 1
1224 1 55 LEU HA 1 55 LEU MD1 1.800 . 4.640 3.519 1.852 3.911 . 0 0 "[ . 1 . 2]" 1
1225 1 55 LEU HA 1 55 LEU MD2 1.800 . 4.150 2.400 1.942 4.079 . 0 0 "[ . 1 . 2]" 1
1226 1 55 LEU QB 1 55 LEU MD2 1.800 . 3.120 2.272 2.084 2.470 . 0 0 "[ . 1 . 2]" 1
1227 1 55 LEU MD1 1 56 GLU H 1.800 . 5.110 4.261 2.964 5.191 0.081 6 0 "[ . 1 . 2]" 1
1228 1 55 LEU MD2 1 56 GLU H 1.800 . 5.500 4.540 3.174 5.515 0.015 14 0 "[ . 1 . 2]" 1
1229 1 55 LEU H 1 55 LEU MD2 1.800 . 4.880 3.551 2.424 4.892 0.012 14 0 "[ . 1 . 2]" 1
1230 1 55 LEU H 1 56 GLU H 1.800 . 3.280 2.693 2.069 3.290 0.010 16 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 56
_Distance_constraint_stats_list.Viol_count 187
_Distance_constraint_stats_list.Viol_total 85.618
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0113
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0229
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 6 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.110 0.027 10 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.214 0.041 6 0 "[ . 1 . 2]"
1 11 THR 0.110 0.027 10 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.214 0.041 6 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.091 0.028 5 0 "[ . 1 . 2]"
1 23 GLN 0.505 0.055 3 0 "[ . 1 . 2]"
1 24 ALA 0.145 0.030 4 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.251 0.032 6 0 "[ . 1 . 2]"
1 27 ARG 0.559 0.055 3 0 "[ . 1 . 2]"
1 28 ILE 0.145 0.030 4 0 "[ . 1 . 2]"
1 29 GLU 0.109 0.020 5 0 "[ . 1 . 2]"
1 30 GLN 0.166 0.032 6 0 "[ . 1 . 2]"
1 31 LEU 0.139 0.039 1 0 "[ . 1 . 2]"
1 32 ALA 0.505 0.058 9 0 "[ . 1 . 2]"
1 33 ARG 0.109 0.020 5 0 "[ . 1 . 2]"
1 34 GLN 0.007 0.007 5 0 "[ . 1 . 2]"
1 35 ALA 0.084 0.039 1 0 "[ . 1 . 2]"
1 36 GLU 0.505 0.058 9 0 "[ . 1 . 2]"
1 41 THR 0.335 0.051 2 0 "[ . 1 . 2]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.035 0.019 19 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.338 0.051 2 0 "[ . 1 . 2]"
1 46 GLU 1.178 0.082 3 0 "[ . 1 . 2]"
1 47 GLN 0.035 0.019 19 0 "[ . 1 . 2]"
1 48 ALA 0.282 0.051 1 0 "[ . 1 . 2]"
1 49 ARG 1.226 0.082 3 0 "[ . 1 . 2]"
1 50 LEU 0.177 0.047 2 0 "[ . 1 . 2]"
1 51 GLU 0.240 0.061 13 0 "[ . 1 . 2]"
1 52 PHE 0.282 0.051 1 0 "[ . 1 . 2]"
1 53 GLY 0.128 0.043 12 0 "[ . 1 . 2]"
1 54 GLN 0.094 0.047 2 0 "[ . 1 . 2]"
1 55 LEU 0.240 0.061 13 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 6 THR O 1 10 LYS H 1.700 . 2.300 1.868 1.782 1.972 . 0 0 "[ . 1 . 2]" 2
2 1 6 THR O 1 10 LYS N 2.700 2.700 3.300 2.835 2.757 2.912 . 0 0 "[ . 1 . 2]" 2
3 1 7 SER O 1 11 THR H 1.700 . 2.300 2.217 2.013 2.327 0.027 10 0 "[ . 1 . 2]" 2
4 1 7 SER O 1 11 THR N 2.700 2.700 3.300 3.138 2.910 3.276 . 0 0 "[ . 1 . 2]" 2
5 1 8 GLU O 1 12 LYS H 1.700 . 2.300 1.923 1.777 2.084 . 0 0 "[ . 1 . 2]" 2
6 1 8 GLU O 1 12 LYS N 2.700 2.700 3.300 2.858 2.729 2.987 . 0 0 "[ . 1 . 2]" 2
7 1 9 ALA O 1 13 LEU H 1.700 . 2.300 1.863 1.793 1.946 . 0 0 "[ . 1 . 2]" 2
8 1 9 ALA O 1 13 LEU N 2.700 2.700 3.300 2.775 2.708 2.860 . 0 0 "[ . 1 . 2]" 2
9 1 10 LYS O 1 14 LYS H 1.700 . 2.300 2.257 1.999 2.341 0.041 6 0 "[ . 1 . 2]" 2
10 1 10 LYS O 1 14 LYS N 2.700 2.700 3.300 3.118 2.918 3.201 . 0 0 "[ . 1 . 2]" 2
11 1 21 ARG O 1 25 LYS H 1.700 . 2.300 1.905 1.743 2.299 . 0 0 "[ . 1 . 2]" 2
12 1 21 ARG O 1 25 LYS N 2.700 2.700 3.300 2.844 2.701 3.229 . 0 0 "[ . 1 . 2]" 2
13 1 22 SER O 1 26 ALA H 1.700 . 2.300 2.216 1.917 2.328 0.028 5 0 "[ . 1 . 2]" 2
14 1 22 SER O 1 26 ALA N 2.700 2.700 3.300 3.142 2.817 3.262 . 0 0 "[ . 1 . 2]" 2
15 1 23 GLN O 1 27 ARG H 1.700 . 2.300 2.314 2.165 2.355 0.055 3 0 "[ . 1 . 2]" 2
16 1 23 GLN O 1 27 ARG N 2.700 2.700 3.300 3.223 3.061 3.294 . 0 0 "[ . 1 . 2]" 2
17 1 24 ALA O 1 28 ILE H 1.700 . 2.300 1.758 1.709 1.821 . 0 0 "[ . 1 . 2]" 2
18 1 24 ALA O 1 28 ILE N 2.700 2.700 3.300 2.709 2.670 2.767 0.030 4 0 "[ . 1 . 2]" 2
19 1 25 LYS O 1 29 GLU H 1.700 . 2.300 1.994 1.861 2.108 . 0 0 "[ . 1 . 2]" 2
20 1 25 LYS O 1 29 GLU N 2.700 2.700 3.300 2.972 2.843 3.080 . 0 0 "[ . 1 . 2]" 2
21 1 26 ALA O 1 30 GLN H 1.700 . 2.300 2.280 2.167 2.332 0.032 6 0 "[ . 1 . 2]" 2
22 1 26 ALA O 1 30 GLN N 2.700 2.700 3.300 3.109 3.008 3.210 . 0 0 "[ . 1 . 2]" 2
23 1 27 ARG O 1 31 LEU H 1.700 . 2.300 1.827 1.762 1.947 . 0 0 "[ . 1 . 2]" 2
24 1 27 ARG O 1 31 LEU N 2.700 2.700 3.300 2.741 2.680 2.851 0.020 16 0 "[ . 1 . 2]" 2
25 1 28 ILE O 1 32 ALA H 1.700 . 2.300 2.078 1.877 2.261 . 0 0 "[ . 1 . 2]" 2
26 1 28 ILE O 1 32 ALA N 2.700 2.700 3.300 2.977 2.802 3.147 . 0 0 "[ . 1 . 2]" 2
27 1 29 GLU O 1 33 ARG H 1.700 . 2.300 2.185 1.869 2.320 0.020 5 0 "[ . 1 . 2]" 2
28 1 29 GLU O 1 33 ARG N 2.700 2.700 3.300 3.078 2.821 3.228 . 0 0 "[ . 1 . 2]" 2
29 1 30 GLN O 1 34 GLN H 1.700 . 2.300 2.052 1.881 2.307 0.007 5 0 "[ . 1 . 2]" 2
30 1 30 GLN O 1 34 GLN N 2.700 2.700 3.300 2.903 2.755 3.198 . 0 0 "[ . 1 . 2]" 2
31 1 31 LEU O 1 35 ALA H 1.700 . 2.300 2.124 1.926 2.339 0.039 1 0 "[ . 1 . 2]" 2
32 1 31 LEU O 1 35 ALA N 2.700 2.700 3.300 2.956 2.781 3.220 . 0 0 "[ . 1 . 2]" 2
33 1 32 ALA O 1 36 GLU H 1.700 . 2.300 2.320 2.195 2.358 0.058 9 0 "[ . 1 . 2]" 2
34 1 32 ALA O 1 36 GLU N 2.700 2.700 3.300 2.801 2.710 2.875 . 0 0 "[ . 1 . 2]" 2
35 1 41 THR O 1 45 VAL H 1.700 . 2.300 2.314 2.249 2.351 0.051 2 0 "[ . 1 . 2]" 2
36 1 41 THR O 1 45 VAL N 2.700 2.700 3.300 3.257 3.205 3.302 0.002 5 0 "[ . 1 . 2]" 2
37 1 42 PRO O 1 46 GLU H 1.700 . 2.300 1.923 1.786 2.200 . 0 0 "[ . 1 . 2]" 2
38 1 42 PRO O 1 46 GLU N 2.700 2.700 3.300 2.868 2.736 3.143 . 0 0 "[ . 1 . 2]" 2
39 1 43 GLU O 1 47 GLN H 1.700 . 2.300 1.882 1.728 2.140 . 0 0 "[ . 1 . 2]" 2
40 1 43 GLU O 1 47 GLN N 2.700 2.700 3.300 2.804 2.681 3.073 0.019 19 0 "[ . 1 . 2]" 2
41 1 44 LEU O 1 48 ALA H 1.700 . 2.300 2.034 1.852 2.232 . 0 0 "[ . 1 . 2]" 2
42 1 44 LEU O 1 48 ALA N 2.700 2.700 3.300 2.985 2.815 3.191 . 0 0 "[ . 1 . 2]" 2
43 1 46 GLU O 1 49 ARG H 1.700 . 2.300 2.355 2.320 2.382 0.082 3 0 "[ . 1 . 2]" 2
44 1 45 VAL O 1 49 ARG N 2.700 2.700 3.300 3.119 2.952 3.303 0.003 3 0 "[ . 1 . 2]" 2
45 1 46 GLU O 1 50 LEU H 1.700 . 2.300 1.894 1.781 2.124 . 0 0 "[ . 1 . 2]" 2
46 1 46 GLU O 1 50 LEU N 2.700 2.700 3.300 2.764 2.667 2.952 0.033 3 0 "[ . 1 . 2]" 2
47 1 47 GLN O 1 51 GLU H 1.700 . 2.300 1.951 1.790 2.222 . 0 0 "[ . 1 . 2]" 2
48 1 47 GLN O 1 51 GLU N 2.700 2.700 3.300 2.867 2.731 3.142 . 0 0 "[ . 1 . 2]" 2
49 1 48 ALA O 1 52 PHE H 1.700 . 2.300 2.276 2.040 2.351 0.051 1 0 "[ . 1 . 2]" 2
50 1 48 ALA O 1 52 PHE N 2.700 2.700 3.300 3.223 2.993 3.308 0.008 2 0 "[ . 1 . 2]" 2
51 1 49 ARG O 1 53 GLY H 1.700 . 2.300 2.133 1.844 2.343 0.043 12 0 "[ . 1 . 2]" 2
52 1 49 ARG O 1 53 GLY N 2.700 2.700 3.300 2.888 2.674 3.172 0.026 11 0 "[ . 1 . 2]" 2
53 1 50 LEU O 1 54 GLN H 1.700 . 2.300 2.106 1.791 2.347 0.047 2 0 "[ . 1 . 2]" 2
54 1 50 LEU O 1 54 GLN N 2.700 2.700 3.300 2.906 2.699 3.116 0.001 19 0 "[ . 1 . 2]" 2
55 1 51 GLU O 1 55 LEU H 1.700 . 2.300 2.138 1.724 2.361 0.061 13 0 "[ . 1 . 2]" 2
56 1 51 GLU O 1 55 LEU N 2.700 2.700 3.300 2.940 2.675 3.239 0.025 6 0 "[ . 1 . 2]" 2
stop_
save_
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