NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451062 |
2ro8   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ro8
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 938
_Distance_constraint_stats_list.Viol_count 1489
_Distance_constraint_stats_list.Viol_total 3934.273
_Distance_constraint_stats_list.Viol_max 0.623
_Distance_constraint_stats_list.Viol_rms 0.0466
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0105
_Distance_constraint_stats_list.Viol_average_violations_only 0.1321
_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 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLN 1.331 0.427 6 0 "[ . 1 . 2]"
1 4 LEU 3.222 0.427 6 0 "[ . 1 . 2]"
1 5 THR 1.508 0.183 2 0 "[ . 1 . 2]"
1 6 ASP 1.851 0.227 6 0 "[ . 1 . 2]"
1 7 GLU 2.034 0.169 19 0 "[ . 1 . 2]"
1 8 GLN 9.544 0.297 9 0 "[ . 1 . 2]"
1 9 ILE 6.020 0.309 19 0 "[ . 1 . 2]"
1 10 SER 3.508 0.443 14 0 "[ . 1 . 2]"
1 11 GLU 5.341 0.269 20 0 "[ . 1 . 2]"
1 12 PHE 18.467 0.551 16 1 "[ . 1 .+ 2]"
1 13 LYS 2.956 0.309 19 0 "[ . 1 . 2]"
1 14 GLU 0.295 0.075 20 0 "[ . 1 . 2]"
1 15 ALA 4.368 0.268 17 0 "[ . 1 . 2]"
1 16 PHE 15.641 0.382 18 0 "[ . 1 . 2]"
1 17 SER 1.248 0.139 8 0 "[ . 1 . 2]"
1 18 LEU 5.593 0.260 4 0 "[ . 1 . 2]"
1 19 PHE 17.002 0.396 7 0 "[ . 1 . 2]"
1 20 ASP 0.006 0.006 2 0 "[ . 1 . 2]"
1 21 LYS 5.091 0.512 14 1 "[ . 1 +. 2]"
1 22 ASP 0.007 0.007 20 0 "[ . 1 . 2]"
1 23 GLY 0.160 0.090 6 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.030 0.030 7 0 "[ . 1 . 2]"
1 26 CYS 0.871 0.093 10 0 "[ . 1 . 2]"
1 27 ILE 5.336 0.279 19 0 "[ . 1 . 2]"
1 28 THR 1.188 0.130 13 0 "[ . 1 . 2]"
1 29 THR 2.198 0.406 19 0 "[ . 1 . 2]"
1 30 LYS 0.192 0.100 9 0 "[ . 1 . 2]"
1 31 GLU 2.903 0.207 6 0 "[ . 1 . 2]"
1 32 LEU 4.623 0.350 11 0 "[ . 1 . 2]"
1 33 GLY 10.113 0.411 11 0 "[ . 1 . 2]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 9.477 0.396 7 0 "[ . 1 . 2]"
1 36 MET 10.065 0.411 11 0 "[ . 1 . 2]"
1 37 ARG 5.987 0.246 16 0 "[ . 1 . 2]"
1 38 SER 3.710 0.227 8 0 "[ . 1 . 2]"
1 39 LEU 0.863 0.294 1 0 "[ . 1 . 2]"
1 40 GLY 0.185 0.051 18 0 "[ . 1 . 2]"
1 41 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PRO 1.220 0.430 12 0 "[ . 1 . 2]"
1 44 THR 7.079 0.240 9 0 "[ . 1 . 2]"
1 45 GLU 5.718 0.314 1 0 "[ . 1 . 2]"
1 46 ALA 2.127 0.233 17 0 "[ . 1 . 2]"
1 47 GLU 1.910 0.239 1 0 "[ . 1 . 2]"
1 48 LEU 15.834 0.430 12 0 "[ . 1 . 2]"
1 49 GLN 5.673 0.337 9 0 "[ . 1 . 2]"
1 50 ASP 9.263 0.395 10 0 "[ . 1 . 2]"
1 51 MET 1.653 0.315 8 0 "[ . 1 . 2]"
1 52 ILE 8.510 0.406 19 0 "[ . 1 . 2]"
1 53 ASN 0.616 0.199 15 0 "[ . 1 . 2]"
1 54 GLU 10.935 0.508 6 1 "[ .+ 1 . 2]"
1 55 VAL 9.373 0.522 18 2 "[ . 1- . + 2]"
1 56 ASP 2.850 0.388 6 0 "[ . 1 . 2]"
1 57 ALA 2.294 0.246 20 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 2.048 0.246 20 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLY 1.883 0.378 13 0 "[ . 1 . 2]"
1 62 THR 3.761 0.201 17 0 "[ . 1 . 2]"
1 63 ILE 5.543 0.234 14 0 "[ . 1 . 2]"
1 64 ASP 1.819 0.177 15 0 "[ . 1 . 2]"
1 65 PHE 11.010 0.490 11 0 "[ . 1 . 2]"
1 66 PRO 8.607 0.623 15 1 "[ . 1 + 2]"
1 67 GLU 2.809 0.257 7 0 "[ . 1 . 2]"
1 68 PHE 15.227 0.374 8 0 "[ . 1 . 2]"
1 69 LEU 9.643 0.623 15 1 "[ . 1 + 2]"
1 70 ASN 2.947 0.205 10 0 "[ . 1 . 2]"
1 71 LEU 17.910 0.522 18 2 "[ . 1- . + 2]"
1 72 MET 12.897 0.551 16 1 "[ . 1 .+ 2]"
1 73 ALA 2.816 0.299 17 0 "[ . 1 . 2]"
1 74 ARG 3.283 0.323 19 0 "[ . 1 . 2]"
1 75 LYS 0.119 0.075 9 0 "[ . 1 . 2]"
1 76 MET 0.958 0.263 19 0 "[ . 1 . 2]"
1 77 LYS 0.638 0.369 16 0 "[ . 1 . 2]"
1 78 ASP 0.491 0.184 9 0 "[ . 1 . 2]"
1 79 THR 1.130 0.369 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP HA 1 3 GLN H 3.560 . 3.560 2.697 2.171 3.532 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLN HA 1 4 LEU H 3.070 . 3.070 2.707 2.158 3.497 0.427 6 0 "[ . 1 . 2]" 1
3 1 3 GLN H 1 3 GLN QB 3.480 . 3.480 2.775 2.368 3.454 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLN H 1 3 GLN HG3 5.500 . 5.500 3.743 2.529 4.831 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLN H 1 3 GLN HG2 5.500 . 5.500 3.656 1.800 5.278 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLN QB 1 4 LEU HA 5.340 . 5.340 4.449 4.063 5.066 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLN QB 1 4 LEU H 4.470 . 4.470 3.139 1.686 4.054 . 0 0 "[ . 1 . 2]" 1
8 1 4 LEU HA 1 4 LEU HG 3.820 . 3.820 3.144 2.275 3.648 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU HA 1 4 LEU QD 3.380 . 3.380 2.403 1.953 3.455 0.075 11 0 "[ . 1 . 2]" 1
10 1 4 LEU HA 1 8 GLN QB 4.950 . 4.950 4.439 3.626 4.988 0.038 6 0 "[ . 1 . 2]" 1
11 1 4 LEU HG 1 5 THR H 5.500 . 5.500 4.475 3.456 5.009 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU H 1 4 LEU HG 4.800 . 4.800 3.062 1.862 4.049 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU H 1 4 LEU QB 2.960 . 2.960 2.432 2.208 3.039 0.079 11 0 "[ . 1 . 2]" 1
14 1 4 LEU H 1 4 LEU QD 5.010 . 5.010 2.513 1.625 3.550 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU H 1 5 THR H 5.500 . 5.500 4.584 4.466 4.652 . 0 0 "[ . 1 . 2]" 1
16 1 4 LEU QB 1 8 GLN QB 5.180 . 5.180 3.267 2.691 3.899 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU QD 1 5 THR H 4.260 . 4.260 3.202 2.632 3.872 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU QD 1 8 GLN HA 5.440 . 5.440 5.457 4.578 5.691 0.251 6 0 "[ . 1 . 2]" 1
19 1 4 LEU QD 1 8 GLN QB 4.160 . 4.160 3.080 2.232 3.447 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU MD1 1 5 THR H 4.980 . 4.980 3.842 2.659 4.731 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU MD2 1 5 THR H 4.980 . 4.980 3.978 2.961 4.926 . 0 0 "[ . 1 . 2]" 1
22 1 5 THR HA 1 5 THR MG 2.970 . 2.970 2.326 2.177 2.532 . 0 0 "[ . 1 . 2]" 1
23 1 5 THR HA 1 6 ASP H 2.860 . 2.860 2.448 2.243 2.598 . 0 0 "[ . 1 . 2]" 1
24 1 5 THR HA 1 8 GLN H 5.000 . 5.000 4.810 4.617 4.962 . 0 0 "[ . 1 . 2]" 1
25 1 5 THR HA 1 9 ILE MD 5.460 . 5.460 4.430 3.853 5.013 . 0 0 "[ . 1 . 2]" 1
26 1 5 THR HB 1 7 GLU H 3.620 . 3.620 2.821 2.427 3.324 . 0 0 "[ . 1 . 2]" 1
27 1 5 THR HB 1 7 GLU HB3 5.500 . 5.500 4.815 3.848 5.421 . 0 0 "[ . 1 . 2]" 1
28 1 5 THR HB 1 7 GLU HB2 5.500 . 5.500 3.866 2.869 5.287 . 0 0 "[ . 1 . 2]" 1
29 1 5 THR HB 1 8 GLN H 4.030 . 4.030 3.305 2.242 4.048 0.018 10 0 "[ . 1 . 2]" 1
30 1 5 THR HB 1 8 GLN QB 5.270 . 5.270 4.134 2.531 5.141 . 0 0 "[ . 1 . 2]" 1
31 1 5 THR HB 1 9 ILE H 5.500 . 5.500 5.063 4.084 5.646 0.146 12 0 "[ . 1 . 2]" 1
32 1 5 THR H 1 5 THR MG 4.170 . 4.170 2.921 2.154 3.883 . 0 0 "[ . 1 . 2]" 1
33 1 5 THR H 1 8 GLN H 5.430 . 5.430 3.904 3.663 4.282 . 0 0 "[ . 1 . 2]" 1
34 1 5 THR H 1 8 GLN QB 3.220 . 3.220 2.836 2.318 3.403 0.183 2 0 "[ . 1 . 2]" 1
35 1 5 THR MG 1 6 ASP H 3.860 . 3.860 2.981 1.607 3.852 . 0 0 "[ . 1 . 2]" 1
36 1 5 THR MG 1 7 GLU H 4.410 . 4.410 3.342 1.683 4.283 . 0 0 "[ . 1 . 2]" 1
37 1 5 THR MG 1 7 GLU QB 5.340 . 5.340 3.675 2.524 5.068 . 0 0 "[ . 1 . 2]" 1
38 1 5 THR MG 1 8 GLN QB 4.360 . 4.360 4.188 3.622 4.532 0.172 8 0 "[ . 1 . 2]" 1
39 1 6 ASP HA 1 9 ILE HB 4.080 . 4.080 2.539 2.273 3.080 . 0 0 "[ . 1 . 2]" 1
40 1 6 ASP HA 1 9 ILE H 4.280 . 4.280 3.350 3.147 3.477 . 0 0 "[ . 1 . 2]" 1
41 1 6 ASP HA 1 9 ILE MD 3.370 . 3.370 2.403 2.179 3.271 . 0 0 "[ . 1 . 2]" 1
42 1 6 ASP HA 1 9 ILE MG 5.250 . 5.250 3.899 3.675 4.236 . 0 0 "[ . 1 . 2]" 1
43 1 6 ASP HA 1 10 SER H 4.560 . 4.560 3.711 3.386 4.341 . 0 0 "[ . 1 . 2]" 1
44 1 6 ASP H 1 6 ASP HB3 3.820 . 3.820 3.163 2.709 3.615 . 0 0 "[ . 1 . 2]" 1
45 1 6 ASP H 1 7 GLU H 4.490 . 4.490 2.389 2.243 2.524 . 0 0 "[ . 1 . 2]" 1
46 1 6 ASP H 1 7 GLU QB 5.500 . 5.500 4.406 4.222 4.793 . 0 0 "[ . 1 . 2]" 1
47 1 6 ASP H 1 8 GLN H 5.500 . 5.500 4.172 3.849 4.398 . 0 0 "[ . 1 . 2]" 1
48 1 6 ASP HB3 1 7 GLU H 4.080 . 4.080 3.816 3.486 4.107 0.027 12 0 "[ . 1 . 2]" 1
49 1 6 ASP HB3 1 9 ILE MD 5.500 . 5.500 4.242 3.463 5.367 . 0 0 "[ . 1 . 2]" 1
50 1 6 ASP HB2 1 7 GLU HA 4.260 . 4.260 4.333 4.154 4.429 0.169 19 0 "[ . 1 . 2]" 1
51 1 6 ASP HB2 1 7 GLU H 4.240 . 4.240 3.176 2.504 3.821 . 0 0 "[ . 1 . 2]" 1
52 1 6 ASP HB2 1 9 ILE MD 5.500 . 5.500 4.706 3.686 5.727 0.227 6 0 "[ . 1 . 2]" 1
53 1 7 GLU HA 1 7 GLU QG 3.270 . 3.270 2.711 2.280 3.294 0.024 3 0 "[ . 1 . 2]" 1
54 1 7 GLU HA 1 7 GLU HG3 4.070 . 4.070 3.254 2.308 3.750 . 0 0 "[ . 1 . 2]" 1
55 1 7 GLU HA 1 7 GLU HG2 4.070 . 4.070 3.018 2.455 3.663 . 0 0 "[ . 1 . 2]" 1
56 1 7 GLU HA 1 10 SER H 3.650 . 3.650 3.575 3.273 3.734 0.084 6 0 "[ . 1 . 2]" 1
57 1 7 GLU HA 1 11 GLU H 4.500 . 4.500 3.486 3.283 3.906 . 0 0 "[ . 1 . 2]" 1
58 1 7 GLU H 1 7 GLU QB 3.100 . 3.100 2.398 2.225 2.685 . 0 0 "[ . 1 . 2]" 1
59 1 7 GLU H 1 7 GLU HB3 3.800 . 3.800 3.239 2.250 3.585 . 0 0 "[ . 1 . 2]" 1
60 1 7 GLU H 1 7 GLU HB2 3.800 . 3.800 2.769 2.382 3.602 . 0 0 "[ . 1 . 2]" 1
61 1 7 GLU H 1 7 GLU QG 3.420 . 3.420 2.256 1.684 3.109 . 0 0 "[ . 1 . 2]" 1
62 1 7 GLU H 1 7 GLU HG3 4.060 . 4.060 2.948 2.124 3.981 . 0 0 "[ . 1 . 2]" 1
63 1 7 GLU H 1 7 GLU HG2 4.060 . 4.060 2.857 1.700 3.809 . 0 0 "[ . 1 . 2]" 1
64 1 7 GLU H 1 8 GLN H 3.480 . 3.480 2.746 2.642 2.933 . 0 0 "[ . 1 . 2]" 1
65 1 8 GLN HA 1 8 GLN QB 2.620 . 2.620 2.452 2.352 2.566 . 0 0 "[ . 1 . 2]" 1
66 1 8 GLN HA 1 8 GLN QG 3.290 . 3.290 2.395 2.213 2.802 . 0 0 "[ . 1 . 2]" 1
67 1 8 GLN HA 1 12 PHE QD 5.500 . 5.500 3.846 3.469 4.618 . 0 0 "[ . 1 . 2]" 1
68 1 8 GLN HA 1 12 PHE QE 4.900 . 4.900 3.970 3.699 4.788 . 0 0 "[ . 1 . 2]" 1
69 1 8 GLN HA 1 11 GLU H 3.650 . 3.650 3.861 3.726 3.919 0.269 20 0 "[ . 1 . 2]" 1
70 1 8 GLN H 1 8 GLN QB 2.980 . 2.980 2.249 2.051 2.363 . 0 0 "[ . 1 . 2]" 1
71 1 8 GLN H 1 9 ILE H 3.700 . 3.700 2.499 2.436 2.620 . 0 0 "[ . 1 . 2]" 1
72 1 8 GLN HA 1 12 PHE H 5.000 . 5.000 3.966 3.802 4.336 . 0 0 "[ . 1 . 2]" 1
73 1 8 GLN QB 1 9 ILE H 3.820 . 3.820 2.867 2.722 2.993 . 0 0 "[ . 1 . 2]" 1
74 1 8 GLN QB 1 9 ILE MD 5.500 . 5.500 4.300 2.374 4.496 . 0 0 "[ . 1 . 2]" 1
75 1 8 GLN QB 1 12 PHE QD 4.650 . 4.650 4.190 3.746 4.712 0.062 2 0 "[ . 1 . 2]" 1
76 1 8 GLN QB 1 12 PHE QE 4.080 . 4.080 3.723 2.805 4.377 0.297 9 0 "[ . 1 . 2]" 1
77 1 8 GLN HB3 1 12 PHE QD 5.500 . 5.500 4.372 3.869 5.243 . 0 0 "[ . 1 . 2]" 1
78 1 8 GLN HB2 1 12 PHE QD 5.500 . 5.500 5.430 4.938 5.767 0.267 2 0 "[ . 1 . 2]" 1
79 1 8 GLN QG 1 12 PHE QD 5.340 . 5.340 4.599 2.573 5.508 0.168 10 0 "[ . 1 . 2]" 1
80 1 8 GLN HG3 1 12 PHE QE 5.500 . 5.500 4.291 2.468 5.602 0.102 3 0 "[ . 1 . 2]" 1
81 1 8 GLN HG2 1 12 PHE QE 5.500 . 5.500 4.456 2.287 5.517 0.017 10 0 "[ . 1 . 2]" 1
82 1 9 ILE HA 1 9 ILE MD 4.630 . 4.630 3.724 2.275 3.834 . 0 0 "[ . 1 . 2]" 1
83 1 9 ILE HA 1 9 ILE QG 3.480 . 3.480 2.357 2.302 2.455 . 0 0 "[ . 1 . 2]" 1
84 1 9 ILE HA 1 11 GLU H 4.700 . 4.700 4.577 4.422 4.804 0.104 5 0 "[ . 1 . 2]" 1
85 1 9 ILE HA 1 12 PHE H 4.200 . 4.200 3.460 3.327 3.634 . 0 0 "[ . 1 . 2]" 1
86 1 9 ILE HA 1 12 PHE HB3 4.990 . 4.990 3.929 3.693 4.586 . 0 0 "[ . 1 . 2]" 1
87 1 9 ILE HA 1 12 PHE QD 3.970 . 3.970 3.580 2.570 4.043 0.073 1 0 "[ . 1 . 2]" 1
88 1 9 ILE HA 1 69 LEU MD1 4.420 . 4.420 4.155 3.363 4.621 0.201 16 0 "[ . 1 . 2]" 1
89 1 9 ILE HA 1 69 LEU MD2 4.970 . 4.970 3.520 2.581 4.743 . 0 0 "[ . 1 . 2]" 1
90 1 9 ILE HB 1 9 ILE MD 3.300 . 3.300 2.305 2.232 2.399 . 0 0 "[ . 1 . 2]" 1
91 1 9 ILE HB 1 10 SER H 3.450 . 3.450 2.337 2.276 2.419 . 0 0 "[ . 1 . 2]" 1
92 1 9 ILE H 1 9 ILE HB 3.270 . 3.270 2.409 2.260 2.617 . 0 0 "[ . 1 . 2]" 1
93 1 9 ILE H 1 9 ILE MD 4.900 . 4.900 3.446 1.944 3.615 . 0 0 "[ . 1 . 2]" 1
94 1 9 ILE H 1 9 ILE QG 3.190 . 3.190 2.442 2.026 3.484 0.294 6 0 "[ . 1 . 2]" 1
95 1 9 ILE H 1 9 ILE MG 4.190 . 4.190 3.742 3.666 3.778 . 0 0 "[ . 1 . 2]" 1
96 1 9 ILE H 1 10 SER H 4.720 . 4.720 2.576 2.478 2.662 . 0 0 "[ . 1 . 2]" 1
97 1 9 ILE MD 1 10 SER H 5.500 . 5.500 4.226 3.900 4.285 . 0 0 "[ . 1 . 2]" 1
98 1 9 ILE QG 1 69 LEU MD1 4.880 . 4.880 3.691 3.164 4.668 . 0 0 "[ . 1 . 2]" 1
99 1 9 ILE MD 1 9 ILE MG 3.500 . 3.500 1.969 1.804 3.232 . 0 0 "[ . 1 . 2]" 1
100 1 9 ILE QG 1 9 ILE MG 3.280 . 3.280 2.260 2.111 2.287 . 0 0 "[ . 1 . 2]" 1
101 1 9 ILE MG 1 10 SER HA 4.440 . 4.440 3.233 2.946 3.702 . 0 0 "[ . 1 . 2]" 1
102 1 9 ILE MG 1 10 SER H 3.720 . 3.720 3.032 2.625 3.489 . 0 0 "[ . 1 . 2]" 1
103 1 9 ILE MG 1 10 SER QB 4.860 . 4.860 4.027 3.483 4.474 . 0 0 "[ . 1 . 2]" 1
104 1 9 ILE MG 1 12 PHE HB3 5.290 . 5.290 4.659 4.230 5.250 . 0 0 "[ . 1 . 2]" 1
105 1 9 ILE MG 1 13 LYS QB 3.370 . 3.370 3.161 2.829 3.679 0.309 19 0 "[ . 1 . 2]" 1
106 1 9 ILE MG 1 13 LYS QE 4.670 . 4.670 4.495 2.173 4.910 0.240 8 0 "[ . 1 . 2]" 1
107 1 9 ILE MG 1 65 PHE HZ 3.760 . 3.760 2.774 2.262 3.205 . 0 0 "[ . 1 . 2]" 1
108 1 9 ILE MG 1 69 LEU MD2 3.380 . 3.380 3.302 2.539 3.616 0.236 20 0 "[ . 1 . 2]" 1
109 1 10 SER HA 1 10 SER QB 2.420 . 2.420 2.321 2.160 2.441 0.021 12 0 "[ . 1 . 2]" 1
110 1 10 SER HA 1 11 GLU QB 5.340 . 5.340 5.318 5.195 5.454 0.114 2 0 "[ . 1 . 2]" 1
111 1 10 SER HA 1 13 LYS H 3.650 . 3.650 3.368 3.173 3.466 . 0 0 "[ . 1 . 2]" 1
112 1 10 SER HA 1 14 GLU H 4.650 . 4.650 3.795 3.317 4.281 . 0 0 "[ . 1 . 2]" 1
113 1 10 SER H 1 10 SER HB3 3.100 . 3.100 2.667 2.014 3.543 0.443 14 0 "[ . 1 . 2]" 1
114 1 10 SER H 1 10 SER HB2 3.100 . 3.100 2.643 2.294 3.468 0.368 13 0 "[ . 1 . 2]" 1
115 1 10 SER H 1 11 GLU H 4.710 . 4.710 2.816 2.756 2.928 . 0 0 "[ . 1 . 2]" 1
116 1 10 SER QB 1 11 GLU H 3.100 . 3.100 2.573 2.353 3.267 0.167 13 0 "[ . 1 . 2]" 1
117 1 11 GLU HA 1 11 GLU QB 2.610 . 2.610 2.406 2.340 2.480 . 0 0 "[ . 1 . 2]" 1
118 1 11 GLU HA 1 11 GLU QG 3.010 . 3.010 2.507 2.306 2.846 . 0 0 "[ . 1 . 2]" 1
119 1 11 GLU HA 1 13 LYS H 4.830 . 4.830 4.550 4.363 4.693 . 0 0 "[ . 1 . 2]" 1
120 1 11 GLU HA 1 15 ALA H 4.680 . 4.680 3.961 3.599 4.131 . 0 0 "[ . 1 . 2]" 1
121 1 11 GLU HA 1 14 GLU H 3.650 . 3.650 3.510 3.244 3.724 0.074 6 0 "[ . 1 . 2]" 1
122 1 11 GLU H 1 11 GLU QB 2.940 . 2.940 2.300 2.170 2.442 . 0 0 "[ . 1 . 2]" 1
123 1 11 GLU H 1 11 GLU QG 4.410 . 4.410 3.197 2.112 4.056 . 0 0 "[ . 1 . 2]" 1
124 1 11 GLU H 1 11 GLU HG3 5.160 . 5.160 3.747 2.213 4.632 . 0 0 "[ . 1 . 2]" 1
125 1 11 GLU H 1 11 GLU HG2 5.160 . 5.160 3.787 2.128 4.645 . 0 0 "[ . 1 . 2]" 1
126 1 11 GLU H 1 12 PHE H 3.580 . 3.580 2.708 2.581 2.947 . 0 0 "[ . 1 . 2]" 1
127 1 11 GLU H 1 12 PHE QB 5.500 . 5.500 4.420 4.225 4.742 . 0 0 "[ . 1 . 2]" 1
128 1 11 GLU H 1 13 LYS H 5.500 . 5.500 4.174 4.095 4.297 . 0 0 "[ . 1 . 2]" 1
129 1 11 GLU QB 1 12 PHE H 3.360 . 3.360 2.564 2.370 2.695 . 0 0 "[ . 1 . 2]" 1
130 1 11 GLU HB3 1 12 PHE H 3.940 . 3.940 3.061 2.519 3.647 . 0 0 "[ . 1 . 2]" 1
131 1 11 GLU HB2 1 12 PHE H 3.940 . 3.940 3.240 2.419 3.904 . 0 0 "[ . 1 . 2]" 1
132 1 12 PHE HA 1 12 PHE QD 3.210 . 3.210 2.251 1.916 2.490 . 0 0 "[ . 1 . 2]" 1
133 1 12 PHE HA 1 12 PHE QE 4.600 . 4.600 4.275 4.184 4.354 . 0 0 "[ . 1 . 2]" 1
134 1 12 PHE HA 1 15 ALA H 4.780 . 4.780 3.688 3.577 3.804 . 0 0 "[ . 1 . 2]" 1
135 1 12 PHE HA 1 15 ALA MB 4.090 . 4.090 2.685 2.469 2.917 . 0 0 "[ . 1 . 2]" 1
136 1 12 PHE HA 1 16 PHE H 5.500 . 5.500 4.189 3.796 4.462 . 0 0 "[ . 1 . 2]" 1
137 1 12 PHE H 1 12 PHE QB 3.370 . 3.370 2.140 2.048 2.319 . 0 0 "[ . 1 . 2]" 1
138 1 12 PHE H 1 12 PHE QD 3.940 . 3.940 2.628 2.255 3.276 . 0 0 "[ . 1 . 2]" 1
139 1 12 PHE H 1 13 LYS H 3.800 . 3.800 2.617 2.562 2.710 . 0 0 "[ . 1 . 2]" 1
140 1 12 PHE QB 1 13 LYS H 4.620 . 4.620 2.428 2.328 2.517 . 0 0 "[ . 1 . 2]" 1
141 1 12 PHE QB 1 13 LYS QB 5.320 . 5.320 3.717 3.604 4.037 . 0 0 "[ . 1 . 2]" 1
142 1 12 PHE QB 1 69 LEU MD2 4.620 . 4.620 3.020 1.893 4.629 0.009 20 0 "[ . 1 . 2]" 1
143 1 12 PHE QD 1 69 LEU HA 4.040 . 4.040 3.227 2.354 4.306 0.266 11 0 "[ . 1 . 2]" 1
144 1 12 PHE QD 1 69 LEU QB 5.340 . 5.340 4.347 3.590 5.184 . 0 0 "[ . 1 . 2]" 1
145 1 12 PHE QD 1 69 LEU MD1 4.180 . 4.180 3.553 2.050 4.452 0.272 18 0 "[ . 1 . 2]" 1
146 1 12 PHE QD 1 69 LEU MD2 4.950 . 4.950 2.622 1.985 4.291 . 0 0 "[ . 1 . 2]" 1
147 1 12 PHE QD 1 72 MET HA 5.500 . 5.500 5.555 5.191 5.797 0.297 12 0 "[ . 1 . 2]" 1
148 1 12 PHE QD 1 72 MET QB 4.010 . 4.010 2.896 2.717 3.253 . 0 0 "[ . 1 . 2]" 1
149 1 12 PHE QD 1 72 MET ME 4.250 . 4.250 3.396 2.227 4.145 . 0 0 "[ . 1 . 2]" 1
150 1 12 PHE QD 1 72 MET QG 3.880 . 3.880 3.073 2.306 3.833 . 0 0 "[ . 1 . 2]" 1
151 1 12 PHE QD 1 73 ALA HA 5.500 . 5.500 5.568 5.193 5.799 0.299 17 0 "[ . 1 . 2]" 1
152 1 12 PHE QE 1 69 LEU MD2 5.270 . 5.270 3.882 2.775 5.458 0.188 10 0 "[ . 1 . 2]" 1
153 1 12 PHE QE 1 72 MET HA 5.500 . 5.500 4.464 4.296 4.806 . 0 0 "[ . 1 . 2]" 1
154 1 12 PHE QE 1 72 MET QB 3.740 . 3.740 2.294 1.995 3.097 . 0 0 "[ . 1 . 2]" 1
155 1 12 PHE QE 1 72 MET ME 3.710 . 3.710 3.126 2.326 3.538 . 0 0 "[ . 1 . 2]" 1
156 1 12 PHE QE 1 72 MET QG 3.610 . 3.610 3.142 2.541 3.628 0.018 19 0 "[ . 1 . 2]" 1
157 1 12 PHE QE 1 72 MET HG3 4.170 . 4.170 3.374 2.619 4.187 0.017 10 0 "[ . 1 . 2]" 1
158 1 12 PHE QE 1 72 MET HG2 4.170 . 4.170 3.965 2.906 4.547 0.377 4 0 "[ . 1 . 2]" 1
159 1 12 PHE QE 1 73 ALA HA 4.700 . 4.700 3.649 3.065 4.307 . 0 0 "[ . 1 . 2]" 1
160 1 12 PHE QE 1 73 ALA MB 5.380 . 5.380 3.954 3.126 4.596 . 0 0 "[ . 1 . 2]" 1
161 1 12 PHE QE 1 76 MET QB 5.000 . 5.000 4.104 3.641 4.703 . 0 0 "[ . 1 . 2]" 1
162 1 12 PHE QE 1 76 MET ME 4.500 . 4.500 3.459 2.568 4.298 . 0 0 "[ . 1 . 2]" 1
163 1 12 PHE QE 1 76 MET QG 5.500 . 5.500 4.132 2.725 5.273 . 0 0 "[ . 1 . 2]" 1
164 1 12 PHE HZ 1 72 MET ME 4.500 . 4.500 3.817 2.975 4.786 0.286 3 0 "[ . 1 . 2]" 1
165 1 12 PHE HZ 1 72 MET QB 3.400 . 3.400 3.350 2.704 3.951 0.551 16 1 "[ . 1 .+ 2]" 1
166 1 12 PHE HZ 1 72 MET QG 4.500 . 4.500 3.851 2.321 4.673 0.173 6 0 "[ . 1 . 2]" 1
167 1 12 PHE HZ 1 76 MET HA 5.500 . 5.500 5.157 4.097 5.763 0.263 19 0 "[ . 1 . 2]" 1
168 1 12 PHE HZ 1 76 MET QB 4.500 . 4.500 3.621 2.715 4.279 . 0 0 "[ . 1 . 2]" 1
169 1 12 PHE HZ 1 76 MET ME 3.600 . 3.600 2.890 2.077 3.662 0.062 14 0 "[ . 1 . 2]" 1
170 1 12 PHE HZ 1 76 MET QG 5.500 . 5.500 3.239 2.232 4.728 . 0 0 "[ . 1 . 2]" 1
171 1 13 LYS HA 1 13 LYS QD 4.650 . 4.650 3.823 2.304 4.151 . 0 0 "[ . 1 . 2]" 1
172 1 13 LYS HA 1 13 LYS HD3 5.500 . 5.500 4.460 2.337 4.802 . 0 0 "[ . 1 . 2]" 1
173 1 13 LYS HA 1 13 LYS HD2 5.500 . 5.500 4.207 3.494 4.583 . 0 0 "[ . 1 . 2]" 1
174 1 13 LYS HA 1 16 PHE H 4.740 . 4.740 3.414 3.269 3.623 . 0 0 "[ . 1 . 2]" 1
175 1 13 LYS HA 1 16 PHE HB3 4.380 . 4.380 2.680 2.470 2.863 . 0 0 "[ . 1 . 2]" 1
176 1 13 LYS HA 1 16 PHE HB2 4.130 . 4.130 3.783 3.488 3.975 . 0 0 "[ . 1 . 2]" 1
177 1 13 LYS HA 1 17 SER H 4.640 . 4.640 3.916 3.689 4.138 . 0 0 "[ . 1 . 2]" 1
178 1 13 LYS HA 1 65 PHE QD 5.500 . 5.500 3.252 2.430 3.726 . 0 0 "[ . 1 . 2]" 1
179 1 13 LYS HA 1 65 PHE QE 3.970 . 3.970 2.348 2.241 2.583 . 0 0 "[ . 1 . 2]" 1
180 1 13 LYS H 1 13 LYS QB 3.120 . 3.120 2.126 2.021 2.179 . 0 0 "[ . 1 . 2]" 1
181 1 13 LYS H 1 13 LYS QD 4.770 . 4.770 4.271 4.190 4.572 . 0 0 "[ . 1 . 2]" 1
182 1 13 LYS H 1 13 LYS QG 4.590 . 4.590 3.766 2.683 3.916 . 0 0 "[ . 1 . 2]" 1
183 1 13 LYS H 1 13 LYS HG3 5.300 . 5.300 4.131 3.054 4.359 . 0 0 "[ . 1 . 2]" 1
184 1 13 LYS H 1 13 LYS HG2 5.300 . 5.300 4.386 2.774 4.522 . 0 0 "[ . 1 . 2]" 1
185 1 13 LYS H 1 14 GLU H 3.740 . 3.740 2.767 2.685 2.834 . 0 0 "[ . 1 . 2]" 1
186 1 13 LYS H 1 15 ALA H 4.720 . 4.720 4.113 4.011 4.263 . 0 0 "[ . 1 . 2]" 1
187 1 13 LYS H 1 65 PHE QE 5.070 . 5.070 3.468 2.675 3.906 . 0 0 "[ . 1 . 2]" 1
188 1 13 LYS QB 1 13 LYS QE 4.170 . 4.170 3.383 2.142 3.789 . 0 0 "[ . 1 . 2]" 1
189 1 13 LYS QB 1 65 PHE HZ 4.470 . 4.470 3.335 2.830 4.517 0.047 20 0 "[ . 1 . 2]" 1
190 1 13 LYS QD 1 65 PHE HZ 5.340 . 5.340 4.090 3.350 5.390 0.050 2 0 "[ . 1 . 2]" 1
191 1 13 LYS QE 1 65 PHE QD 5.340 . 5.340 4.315 2.853 5.527 0.187 7 0 "[ . 1 . 2]" 1
192 1 13 LYS QG 1 65 PHE HZ 5.340 . 5.340 3.779 2.404 4.632 . 0 0 "[ . 1 . 2]" 1
193 1 13 LYS QG 1 65 PHE QD 4.700 . 4.700 3.507 3.117 3.884 . 0 0 "[ . 1 . 2]" 1
194 1 13 LYS QG 1 65 PHE QE 5.120 . 5.120 3.219 2.390 3.884 . 0 0 "[ . 1 . 2]" 1
195 1 14 GLU HA 1 18 LEU H 4.540 . 4.540 3.948 3.847 4.119 . 0 0 "[ . 1 . 2]" 1
196 1 14 GLU HA 1 17 SER H 3.650 . 3.650 3.611 3.539 3.725 0.075 20 0 "[ . 1 . 2]" 1
197 1 14 GLU H 1 14 GLU QB 3.410 . 3.410 2.299 2.234 2.415 . 0 0 "[ . 1 . 2]" 1
198 1 14 GLU H 1 15 ALA H 4.030 . 4.030 2.594 2.550 2.645 . 0 0 "[ . 1 . 2]" 1
199 1 14 GLU H 1 15 ALA MB 5.500 . 5.500 4.223 4.174 4.245 . 0 0 "[ . 1 . 2]" 1
200 1 15 ALA HA 1 18 LEU H 4.250 . 4.250 3.851 3.774 3.990 . 0 0 "[ . 1 . 2]" 1
201 1 15 ALA HA 1 18 LEU HB3 4.190 . 4.190 2.598 2.475 2.737 . 0 0 "[ . 1 . 2]" 1
202 1 15 ALA HA 1 18 LEU HB2 3.390 . 3.390 3.492 3.357 3.597 0.207 20 0 "[ . 1 . 2]" 1
203 1 15 ALA HA 1 18 LEU QD 3.540 . 3.540 2.657 2.411 2.862 . 0 0 "[ . 1 . 2]" 1
204 1 15 ALA H 1 15 ALA MB 3.440 . 3.440 2.203 2.155 2.227 . 0 0 "[ . 1 . 2]" 1
205 1 15 ALA H 1 16 PHE H 3.740 . 3.740 2.740 2.658 2.810 . 0 0 "[ . 1 . 2]" 1
206 1 15 ALA H 1 68 PHE HZ 5.500 . 5.500 5.150 4.559 5.503 0.003 4 0 "[ . 1 . 2]" 1
207 1 15 ALA MB 1 16 PHE H 3.580 . 3.580 2.388 2.292 2.496 . 0 0 "[ . 1 . 2]" 1
208 1 15 ALA MB 1 16 PHE HB3 5.500 . 5.500 4.305 4.241 4.441 . 0 0 "[ . 1 . 2]" 1
209 1 15 ALA MB 1 16 PHE HB2 5.500 . 5.500 3.800 3.711 3.934 . 0 0 "[ . 1 . 2]" 1
210 1 15 ALA MB 1 17 SER H 4.820 . 4.820 4.657 4.566 4.731 . 0 0 "[ . 1 . 2]" 1
211 1 15 ALA MB 1 18 LEU H 5.500 . 5.500 4.737 4.699 4.797 . 0 0 "[ . 1 . 2]" 1
212 1 15 ALA MB 1 19 PHE HZ 3.550 . 3.550 3.572 2.755 3.818 0.268 17 0 "[ . 1 . 2]" 1
213 1 15 ALA MB 1 19 PHE QE 3.640 . 3.640 2.889 2.292 3.401 . 0 0 "[ . 1 . 2]" 1
214 1 15 ALA MB 1 68 PHE HZ 3.190 . 3.190 2.619 2.286 2.931 . 0 0 "[ . 1 . 2]" 1
215 1 15 ALA MB 1 68 PHE QD 5.000 . 5.000 4.901 4.732 5.069 0.069 14 0 "[ . 1 . 2]" 1
216 1 15 ALA MB 1 68 PHE QE 3.320 . 3.320 3.231 2.947 3.419 0.099 14 0 "[ . 1 . 2]" 1
217 1 16 PHE HA 1 16 PHE QD 3.140 . 3.140 2.955 2.732 3.048 . 0 0 "[ . 1 . 2]" 1
218 1 16 PHE HA 1 18 LEU H 5.500 . 5.500 4.212 4.150 4.295 . 0 0 "[ . 1 . 2]" 1
219 1 16 PHE HA 1 19 PHE QB 5.500 . 5.500 2.617 2.392 2.915 . 0 0 "[ . 1 . 2]" 1
220 1 16 PHE HA 1 19 PHE QD 3.800 . 3.800 2.846 2.185 3.698 . 0 0 "[ . 1 . 2]" 1
221 1 16 PHE HA 1 19 PHE QE 4.830 . 4.830 4.363 3.798 4.842 0.012 18 0 "[ . 1 . 2]" 1
222 1 16 PHE HA 1 27 ILE MD 4.960 . 4.960 2.766 2.345 3.776 . 0 0 "[ . 1 . 2]" 1
223 1 16 PHE H 1 16 PHE HB3 3.720 . 3.720 2.337 2.267 2.431 . 0 0 "[ . 1 . 2]" 1
224 1 16 PHE H 1 16 PHE HB2 3.930 . 3.930 2.537 2.418 2.630 . 0 0 "[ . 1 . 2]" 1
225 1 16 PHE H 1 16 PHE QD 4.550 . 4.550 4.083 4.043 4.102 . 0 0 "[ . 1 . 2]" 1
226 1 16 PHE H 1 17 SER H 3.540 . 3.540 2.809 2.768 2.863 . 0 0 "[ . 1 . 2]" 1
227 1 16 PHE H 1 68 PHE HZ 4.960 . 4.960 3.998 3.687 4.276 . 0 0 "[ . 1 . 2]" 1
228 1 16 PHE HZ 1 26 CYS HA 3.650 . 3.650 2.594 2.305 3.011 . 0 0 "[ . 1 . 2]" 1
229 1 16 PHE HZ 1 27 ILE QG 5.280 . 5.280 2.756 2.467 3.004 . 0 0 "[ . 1 . 2]" 1
230 1 16 PHE HZ 1 63 ILE HB 3.850 . 3.850 3.959 3.891 4.023 0.173 20 0 "[ . 1 . 2]" 1
231 1 16 PHE HZ 1 64 ASP QB 4.640 . 4.640 4.713 4.539 4.817 0.177 15 0 "[ . 1 . 2]" 1
232 1 16 PHE HZ 1 68 PHE QB 5.500 . 5.500 4.432 3.994 4.686 . 0 0 "[ . 1 . 2]" 1
233 1 16 PHE HA 1 19 PHE H 5.500 . 5.500 3.209 3.099 3.303 . 0 0 "[ . 1 . 2]" 1
234 1 16 PHE QB 1 17 SER H 4.530 . 4.530 2.579 2.494 2.670 . 0 0 "[ . 1 . 2]" 1
235 1 16 PHE QB 1 68 PHE QD 3.130 . 3.130 2.864 2.694 2.992 . 0 0 "[ . 1 . 2]" 1
236 1 16 PHE HB3 1 65 PHE QD 4.420 . 4.420 2.848 2.428 3.422 . 0 0 "[ . 1 . 2]" 1
237 1 16 PHE HB3 1 65 PHE QE 4.600 . 4.600 3.542 2.820 3.935 . 0 0 "[ . 1 . 2]" 1
238 1 16 PHE HB3 1 68 PHE HZ 4.820 . 4.820 5.092 4.963 5.194 0.374 8 0 "[ . 1 . 2]" 1
239 1 16 PHE HB3 1 68 PHE QD 4.000 . 4.000 3.886 3.671 4.072 0.072 20 0 "[ . 1 . 2]" 1
240 1 16 PHE HB3 1 68 PHE QE 4.630 . 4.630 3.846 3.598 4.069 . 0 0 "[ . 1 . 2]" 1
241 1 16 PHE HB2 1 17 SER H 3.910 . 3.910 3.964 3.909 4.049 0.139 8 0 "[ . 1 . 2]" 1
242 1 16 PHE HB2 1 18 LEU H 5.500 . 5.500 5.614 5.553 5.708 0.208 8 0 "[ . 1 . 2]" 1
243 1 16 PHE HB2 1 65 PHE QE 5.170 . 5.170 3.767 3.029 4.287 . 0 0 "[ . 1 . 2]" 1
244 1 16 PHE QD 1 17 SER HA 4.410 . 4.410 2.837 2.678 3.169 . 0 0 "[ . 1 . 2]" 1
245 1 16 PHE QD 1 17 SER H 5.260 . 5.260 2.923 2.712 3.187 . 0 0 "[ . 1 . 2]" 1
246 1 16 PHE QD 1 19 PHE QB 5.500 . 5.500 4.149 3.742 4.458 . 0 0 "[ . 1 . 2]" 1
247 1 16 PHE QD 1 19 PHE QD 4.270 . 4.270 4.245 3.649 4.652 0.382 18 0 "[ . 1 . 2]" 1
248 1 16 PHE QD 1 20 ASP QB 5.260 . 5.260 4.178 3.624 4.864 . 0 0 "[ . 1 . 2]" 1
249 1 16 PHE QD 1 27 ILE MD 3.680 . 3.680 2.511 2.154 3.445 . 0 0 "[ . 1 . 2]" 1
250 1 16 PHE QD 1 27 ILE QG 5.500 . 5.500 3.585 3.025 3.939 . 0 0 "[ . 1 . 2]" 1
251 1 16 PHE QD 1 63 ILE HB 5.500 . 5.500 4.415 4.161 4.682 . 0 0 "[ . 1 . 2]" 1
252 1 16 PHE QD 1 63 ILE MG 4.900 . 4.900 3.500 3.217 3.753 . 0 0 "[ . 1 . 2]" 1
253 1 16 PHE QD 1 65 PHE QD 4.770 . 4.770 3.324 2.997 3.608 . 0 0 "[ . 1 . 2]" 1
254 1 16 PHE QD 1 68 PHE HB3 3.040 . 3.040 2.996 2.534 3.202 0.162 12 0 "[ . 1 . 2]" 1
255 1 16 PHE QD 1 68 PHE HB2 3.840 . 3.840 2.485 2.322 2.724 . 0 0 "[ . 1 . 2]" 1
256 1 16 PHE QD 1 68 PHE QD 3.020 . 3.020 2.870 2.584 3.026 0.006 14 0 "[ . 1 . 2]" 1
257 1 16 PHE QD 1 68 PHE QE 4.830 . 4.830 3.823 3.696 4.065 . 0 0 "[ . 1 . 2]" 1
258 1 16 PHE QE 1 17 SER HA 5.500 . 5.500 3.921 3.669 4.266 . 0 0 "[ . 1 . 2]" 1
259 1 16 PHE QE 1 20 ASP QB 5.500 . 5.500 3.824 3.381 4.557 . 0 0 "[ . 1 . 2]" 1
260 1 16 PHE QE 1 25 GLY QA 4.080 . 4.080 2.925 2.334 3.785 . 0 0 "[ . 1 . 2]" 1
261 1 16 PHE QE 1 25 GLY HA3 5.270 . 5.270 4.438 3.917 5.300 0.030 7 0 "[ . 1 . 2]" 1
262 1 16 PHE QE 1 25 GLY HA2 5.270 . 5.270 2.971 2.352 3.875 . 0 0 "[ . 1 . 2]" 1
263 1 16 PHE QE 1 26 CYS HA 4.160 . 4.160 3.855 3.612 4.175 0.015 9 0 "[ . 1 . 2]" 1
264 1 16 PHE QE 1 27 ILE HB 5.050 . 5.050 3.587 3.209 4.060 . 0 0 "[ . 1 . 2]" 1
265 1 16 PHE QE 1 27 ILE MD 3.470 . 3.470 2.414 2.229 3.033 . 0 0 "[ . 1 . 2]" 1
266 1 16 PHE QE 1 27 ILE HG13 4.510 . 4.510 2.710 2.311 3.014 . 0 0 "[ . 1 . 2]" 1
267 1 16 PHE QE 1 27 ILE HG12 4.510 . 4.510 3.763 2.261 4.306 . 0 0 "[ . 1 . 2]" 1
268 1 16 PHE QE 1 27 ILE MG 5.500 . 5.500 4.477 4.256 4.640 . 0 0 "[ . 1 . 2]" 1
269 1 16 PHE QE 1 63 ILE HA 5.500 . 5.500 4.496 4.362 4.630 . 0 0 "[ . 1 . 2]" 1
270 1 16 PHE QE 1 63 ILE HB 4.770 . 4.770 2.467 2.331 2.684 . 0 0 "[ . 1 . 2]" 1
271 1 16 PHE QE 1 63 ILE MG 4.470 . 4.470 2.446 2.244 2.652 . 0 0 "[ . 1 . 2]" 1
272 1 16 PHE QE 1 64 ASP QB 5.190 . 5.190 4.970 4.826 5.090 . 0 0 "[ . 1 . 2]" 1
273 1 16 PHE QE 1 68 PHE HB3 4.120 . 4.120 3.526 2.958 3.901 . 0 0 "[ . 1 . 2]" 1
274 1 16 PHE QE 1 68 PHE HB2 3.470 . 3.470 2.686 2.321 3.075 . 0 0 "[ . 1 . 2]" 1
275 1 17 SER HA 1 20 ASP H 4.360 . 4.360 3.319 3.151 3.522 . 0 0 "[ . 1 . 2]" 1
276 1 17 SER HA 1 20 ASP HB3 4.440 . 4.440 3.231 2.709 4.446 0.006 2 0 "[ . 1 . 2]" 1
277 1 17 SER HA 1 20 ASP HB2 4.930 . 4.930 3.037 2.556 3.455 . 0 0 "[ . 1 . 2]" 1
278 1 17 SER H 1 17 SER QB 3.620 . 3.620 2.458 2.267 2.626 . 0 0 "[ . 1 . 2]" 1
279 1 17 SER H 1 17 SER HB3 4.150 . 4.150 3.061 2.393 3.651 . 0 0 "[ . 1 . 2]" 1
280 1 17 SER H 1 17 SER HB2 4.150 . 4.150 2.858 2.418 3.655 . 0 0 "[ . 1 . 2]" 1
281 1 17 SER H 1 18 LEU H 4.130 . 4.130 2.492 2.423 2.580 . 0 0 "[ . 1 . 2]" 1
282 1 17 SER H 1 19 PHE H 4.590 . 4.590 4.031 3.912 4.177 . 0 0 "[ . 1 . 2]" 1
283 1 17 SER QB 1 19 PHE H 5.170 . 5.170 4.832 4.682 5.172 0.002 5 0 "[ . 1 . 2]" 1
284 1 18 LEU HA 1 18 LEU HG 4.090 . 4.090 3.133 2.516 3.269 . 0 0 "[ . 1 . 2]" 1
285 1 18 LEU HA 1 18 LEU QD 3.410 . 3.410 2.262 2.134 3.119 . 0 0 "[ . 1 . 2]" 1
286 1 18 LEU HA 1 18 LEU MD1 4.030 . 4.030 2.291 2.145 3.464 . 0 0 "[ . 1 . 2]" 1
287 1 18 LEU HA 1 18 LEU MD2 4.030 . 4.030 3.858 3.541 3.906 . 0 0 "[ . 1 . 2]" 1
288 1 18 LEU HG 1 19 PHE HA 5.400 . 5.400 3.704 3.555 4.547 . 0 0 "[ . 1 . 2]" 1
289 1 18 LEU HG 1 19 PHE QD 5.500 . 5.500 3.452 2.514 4.729 . 0 0 "[ . 1 . 2]" 1
290 1 18 LEU H 1 18 LEU HG 4.650 . 4.650 4.320 4.267 4.370 . 0 0 "[ . 1 . 2]" 1
291 1 18 LEU H 1 18 LEU QB 3.210 . 3.210 2.110 2.093 2.132 . 0 0 "[ . 1 . 2]" 1
292 1 18 LEU H 1 18 LEU QD 4.160 . 4.160 3.622 3.594 3.648 . 0 0 "[ . 1 . 2]" 1
293 1 18 LEU H 1 19 PHE QB 5.500 . 5.500 4.581 4.429 4.681 . 0 0 "[ . 1 . 2]" 1
294 1 18 LEU QB 1 19 PHE HA 4.760 . 4.760 4.262 4.198 4.356 . 0 0 "[ . 1 . 2]" 1
295 1 18 LEU QB 1 19 PHE H 4.820 . 4.820 2.518 2.426 2.573 . 0 0 "[ . 1 . 2]" 1
296 1 18 LEU HB2 1 18 LEU QD 3.120 . 3.120 2.056 2.035 2.141 . 0 0 "[ . 1 . 2]" 1
297 1 18 LEU QD 1 19 PHE HZ 4.630 . 4.630 4.559 4.039 4.890 0.260 4 0 "[ . 1 . 2]" 1
298 1 18 LEU QD 1 19 PHE QD 5.500 . 5.500 3.515 2.255 4.345 . 0 0 "[ . 1 . 2]" 1
299 1 19 PHE HA 1 19 PHE QD 3.420 . 3.420 2.182 1.992 2.343 . 0 0 "[ . 1 . 2]" 1
300 1 19 PHE HA 1 19 PHE QE 4.570 . 4.570 4.324 4.272 4.378 . 0 0 "[ . 1 . 2]" 1
301 1 19 PHE H 1 19 PHE HB2 4.050 . 4.050 2.405 2.308 2.518 . 0 0 "[ . 1 . 2]" 1
302 1 19 PHE H 1 20 ASP H 3.610 . 3.610 2.584 2.485 2.673 . 0 0 "[ . 1 . 2]" 1
303 1 19 PHE HZ 1 35 VAL QG 3.650 . 3.650 2.952 2.688 3.383 . 0 0 "[ . 1 . 2]" 1
304 1 19 PHE HZ 1 35 VAL MG1 4.340 . 4.340 3.004 2.715 3.492 . 0 0 "[ . 1 . 2]" 1
305 1 19 PHE HZ 1 35 VAL MG2 4.340 . 4.340 4.411 4.267 4.573 0.233 16 0 "[ . 1 . 2]" 1
306 1 19 PHE HB3 1 27 ILE MD 4.150 . 4.150 2.433 2.230 2.764 . 0 0 "[ . 1 . 2]" 1
307 1 19 PHE HB2 1 20 ASP H 4.150 . 4.150 3.168 2.983 3.301 . 0 0 "[ . 1 . 2]" 1
308 1 19 PHE HB2 1 27 ILE HA 5.500 . 5.500 5.597 5.364 5.750 0.250 8 0 "[ . 1 . 2]" 1
309 1 19 PHE HB2 1 27 ILE MG 4.300 . 4.300 3.543 3.298 3.841 . 0 0 "[ . 1 . 2]" 1
310 1 19 PHE QD 1 27 ILE MG 3.950 . 3.950 3.714 2.983 4.189 0.239 13 0 "[ . 1 . 2]" 1
311 1 19 PHE QD 1 35 VAL HB 4.200 . 4.200 4.337 4.249 4.419 0.219 5 0 "[ . 1 . 2]" 1
312 1 19 PHE QD 1 35 VAL MG1 3.670 . 3.670 3.268 2.982 3.487 . 0 0 "[ . 1 . 2]" 1
313 1 19 PHE QD 1 35 VAL MG2 3.670 . 3.670 2.520 1.985 3.188 . 0 0 "[ . 1 . 2]" 1
314 1 19 PHE QE 1 27 ILE MD 5.500 . 5.500 4.639 4.174 5.665 0.165 9 0 "[ . 1 . 2]" 1
315 1 19 PHE QE 1 35 VAL HB 4.250 . 4.250 4.445 4.343 4.646 0.396 7 0 "[ . 1 . 2]" 1
316 1 19 PHE QE 1 35 VAL QG 3.120 . 3.120 2.343 2.033 2.647 . 0 0 "[ . 1 . 2]" 1
317 1 19 PHE QE 1 35 VAL MG1 3.710 . 3.710 2.443 2.129 2.713 . 0 0 "[ . 1 . 2]" 1
318 1 19 PHE QE 1 35 VAL MG2 3.710 . 3.710 3.062 2.466 3.691 . 0 0 "[ . 1 . 2]" 1
319 1 19 PHE QE 1 72 MET ME 5.500 . 5.500 4.441 3.392 5.214 . 0 0 "[ . 1 . 2]" 1
320 1 20 ASP HA 1 21 LYS H 3.320 . 3.320 2.337 2.207 2.495 . 0 0 "[ . 1 . 2]" 1
321 1 20 ASP HA 1 23 GLY H 5.500 . 5.500 3.749 3.524 4.169 . 0 0 "[ . 1 . 2]" 1
322 1 20 ASP HA 1 27 ILE MD 5.490 . 5.490 4.147 2.370 4.827 . 0 0 "[ . 1 . 2]" 1
323 1 20 ASP H 1 20 ASP QB 3.690 . 3.690 2.312 2.240 2.415 . 0 0 "[ . 1 . 2]" 1
324 1 20 ASP H 1 27 ILE MG 5.230 . 5.230 4.914 4.431 5.227 . 0 0 "[ . 1 . 2]" 1
325 1 20 ASP QB 1 22 ASP H 4.910 . 4.910 4.104 3.186 4.577 . 0 0 "[ . 1 . 2]" 1
326 1 21 LYS HA 1 21 LYS QE 4.610 . 4.610 4.230 3.715 4.658 0.048 14 0 "[ . 1 . 2]" 1
327 1 21 LYS HA 1 21 LYS HE3 5.350 . 5.350 4.775 3.954 5.862 0.512 14 1 "[ . 1 +. 2]" 1
328 1 21 LYS HA 1 21 LYS HE2 5.350 . 5.350 4.811 4.053 5.771 0.421 4 0 "[ . 1 . 2]" 1
329 1 21 LYS HA 1 21 LYS QG 3.590 . 3.590 2.465 2.219 3.309 . 0 0 "[ . 1 . 2]" 1
330 1 21 LYS H 1 21 LYS QB 3.160 . 3.160 2.426 2.146 2.701 . 0 0 "[ . 1 . 2]" 1
331 1 21 LYS H 1 21 LYS QG 3.440 . 3.440 2.468 1.769 3.936 0.496 11 0 "[ . 1 . 2]" 1
332 1 21 LYS H 1 21 LYS HG3 4.030 . 4.030 2.866 2.110 4.330 0.300 11 0 "[ . 1 . 2]" 1
333 1 21 LYS H 1 21 LYS HG2 4.030 . 4.030 3.235 1.776 4.521 0.491 11 0 "[ . 1 . 2]" 1
334 1 21 LYS H 1 22 ASP H 3.480 . 3.480 2.809 2.502 3.103 . 0 0 "[ . 1 . 2]" 1
335 1 21 LYS H 1 31 GLU QB 3.680 . 3.680 3.688 3.407 3.850 0.170 18 0 "[ . 1 . 2]" 1
336 1 21 LYS H 1 31 GLU QG 3.480 . 3.480 3.542 3.295 3.687 0.207 6 0 "[ . 1 . 2]" 1
337 1 21 LYS QB 1 22 ASP H 3.690 . 3.690 2.836 2.449 3.697 0.007 20 0 "[ . 1 . 2]" 1
338 1 21 LYS HB3 1 23 GLY H 5.500 . 5.500 5.345 4.826 5.590 0.090 6 0 "[ . 1 . 2]" 1
339 1 21 LYS HB2 1 23 GLY H 5.500 . 5.500 4.966 4.605 5.483 . 0 0 "[ . 1 . 2]" 1
340 1 21 LYS QG 1 22 ASP H 5.340 . 5.340 4.045 1.766 4.703 . 0 0 "[ . 1 . 2]" 1
341 1 22 ASP H 1 22 ASP QB 3.640 . 3.640 2.607 2.282 2.945 . 0 0 "[ . 1 . 2]" 1
342 1 22 ASP H 1 23 GLY H 3.670 . 3.670 2.331 2.162 2.508 . 0 0 "[ . 1 . 2]" 1
343 1 22 ASP H 1 23 GLY QA 5.020 . 5.020 4.219 4.053 4.410 . 0 0 "[ . 1 . 2]" 1
344 1 23 GLY H 1 24 ASP H 4.310 . 4.310 2.743 2.443 3.124 . 0 0 "[ . 1 . 2]" 1
345 1 23 GLY H 1 24 ASP QB 5.340 . 5.340 4.845 4.515 5.063 . 0 0 "[ . 1 . 2]" 1
346 1 24 ASP H 1 25 GLY H 3.940 . 3.940 2.523 2.270 2.639 . 0 0 "[ . 1 . 2]" 1
347 1 25 GLY H 1 26 CYS H 3.630 . 3.630 2.447 2.224 2.656 . 0 0 "[ . 1 . 2]" 1
348 1 25 GLY QA 1 26 CYS QB 4.760 . 4.760 4.434 3.981 4.634 . 0 0 "[ . 1 . 2]" 1
349 1 26 CYS HA 1 27 ILE H 3.490 . 3.490 2.206 2.143 2.333 . 0 0 "[ . 1 . 2]" 1
350 1 26 CYS HA 1 62 THR HB 5.500 . 5.500 4.146 3.804 4.441 . 0 0 "[ . 1 . 2]" 1
351 1 26 CYS HA 1 62 THR MG 5.500 . 5.500 5.346 5.035 5.583 0.083 5 0 "[ . 1 . 2]" 1
352 1 26 CYS H 1 27 ILE H 5.500 . 5.500 4.314 4.142 4.461 . 0 0 "[ . 1 . 2]" 1
353 1 26 CYS QB 1 27 ILE HA 5.340 . 5.340 4.361 4.153 4.712 . 0 0 "[ . 1 . 2]" 1
354 1 26 CYS QB 1 27 ILE H 4.420 . 4.420 2.930 2.506 3.212 . 0 0 "[ . 1 . 2]" 1
355 1 26 CYS QB 1 62 THR HA 5.340 . 5.340 4.604 4.106 4.822 . 0 0 "[ . 1 . 2]" 1
356 1 26 CYS QB 1 62 THR MG 4.320 . 4.320 3.321 3.040 3.594 . 0 0 "[ . 1 . 2]" 1
357 1 26 CYS QB 1 63 ILE H 3.960 . 3.960 3.743 3.182 4.047 0.087 9 0 "[ . 1 . 2]" 1
358 1 26 CYS HB3 1 62 THR HB 3.950 . 3.950 2.830 2.325 4.043 0.093 10 0 "[ . 1 . 2]" 1
359 1 26 CYS HB3 1 62 THR MG 5.150 . 5.150 3.796 3.283 4.827 . 0 0 "[ . 1 . 2]" 1
360 1 26 CYS HB2 1 62 THR HB 3.950 . 3.950 3.367 2.329 3.997 0.047 1 0 "[ . 1 . 2]" 1
361 1 26 CYS HB2 1 62 THR MG 5.150 . 5.150 3.935 3.258 4.366 . 0 0 "[ . 1 . 2]" 1
362 1 27 ILE HA 1 28 THR H 3.290 . 3.290 2.204 2.161 2.298 . 0 0 "[ . 1 . 2]" 1
363 1 27 ILE HA 1 31 GLU QB 5.230 . 5.230 3.201 2.887 3.613 . 0 0 "[ . 1 . 2]" 1
364 1 27 ILE HA 1 62 THR MG 5.500 . 5.500 5.464 5.213 5.568 0.068 17 0 "[ . 1 . 2]" 1
365 1 27 ILE HA 1 63 ILE QG 5.340 . 5.340 5.158 4.940 5.375 0.035 2 0 "[ . 1 . 2]" 1
366 1 27 ILE HB 1 63 ILE HB 3.790 . 3.790 2.287 2.212 2.407 . 0 0 "[ . 1 . 2]" 1
367 1 27 ILE HB 1 63 ILE H 4.010 . 4.010 3.315 2.945 3.666 . 0 0 "[ . 1 . 2]" 1
368 1 27 ILE HB 1 63 ILE QG 4.020 . 4.020 2.884 2.460 3.223 . 0 0 "[ . 1 . 2]" 1
369 1 27 ILE H 1 27 ILE MD 5.200 . 5.200 3.639 3.166 3.943 . 0 0 "[ . 1 . 2]" 1
370 1 27 ILE H 1 27 ILE QG 4.250 . 4.250 2.446 2.038 2.766 . 0 0 "[ . 1 . 2]" 1
371 1 27 ILE H 1 27 ILE MG 4.010 . 4.010 3.843 3.808 3.890 . 0 0 "[ . 1 . 2]" 1
372 1 27 ILE H 1 62 THR HB 5.430 . 5.430 3.440 2.992 3.841 . 0 0 "[ . 1 . 2]" 1
373 1 27 ILE H 1 63 ILE HB 4.530 . 4.530 2.885 2.722 3.102 . 0 0 "[ . 1 . 2]" 1
374 1 27 ILE H 1 63 ILE H 4.320 . 4.320 2.710 2.362 3.089 . 0 0 "[ . 1 . 2]" 1
375 1 27 ILE MD 1 63 ILE HB 4.880 . 4.880 3.039 2.327 3.956 . 0 0 "[ . 1 . 2]" 1
376 1 27 ILE MD 1 63 ILE QG 4.870 . 4.870 4.159 3.158 4.941 0.071 16 0 "[ . 1 . 2]" 1
377 1 27 ILE MD 1 63 ILE MG 4.560 . 4.560 3.384 2.659 4.428 . 0 0 "[ . 1 . 2]" 1
378 1 27 ILE MD 1 68 PHE HB3 5.500 . 5.500 4.788 4.040 5.779 0.279 19 0 "[ . 1 . 2]" 1
379 1 27 ILE MD 1 68 PHE HB2 5.500 . 5.500 3.828 3.280 4.928 . 0 0 "[ . 1 . 2]" 1
380 1 27 ILE MD 1 27 ILE MG 3.420 . 3.420 1.887 1.808 1.991 . 0 0 "[ . 1 . 2]" 1
381 1 27 ILE MG 1 28 THR H 3.680 . 3.680 2.744 2.274 3.122 . 0 0 "[ . 1 . 2]" 1
382 1 27 ILE MG 1 28 THR MG 5.500 . 5.500 4.380 3.995 4.849 . 0 0 "[ . 1 . 2]" 1
383 1 27 ILE MG 1 31 GLU HA 4.800 . 4.800 4.438 4.148 4.750 . 0 0 "[ . 1 . 2]" 1
384 1 27 ILE MG 1 31 GLU H 5.010 . 5.010 4.014 3.768 4.352 . 0 0 "[ . 1 . 2]" 1
385 1 27 ILE MG 1 31 GLU QB 3.490 . 3.490 2.198 1.963 2.472 . 0 0 "[ . 1 . 2]" 1
386 1 27 ILE MG 1 31 GLU HB3 4.150 . 4.150 2.609 2.312 2.963 . 0 0 "[ . 1 . 2]" 1
387 1 27 ILE MG 1 31 GLU HB2 4.150 . 4.150 2.381 2.122 2.680 . 0 0 "[ . 1 . 2]" 1
388 1 27 ILE MG 1 32 LEU HA 3.790 . 3.790 3.003 2.550 3.393 . 0 0 "[ . 1 . 2]" 1
389 1 27 ILE MG 1 32 LEU H 3.400 . 3.400 2.684 2.359 3.055 . 0 0 "[ . 1 . 2]" 1
390 1 27 ILE MG 1 32 LEU QB 3.560 . 3.560 2.277 2.063 2.585 . 0 0 "[ . 1 . 2]" 1
391 1 27 ILE MG 1 63 ILE HB 5.130 . 5.130 3.868 3.694 4.038 . 0 0 "[ . 1 . 2]" 1
392 1 27 ILE MG 1 63 ILE QG 3.830 . 3.830 3.727 3.445 3.955 0.125 7 0 "[ . 1 . 2]" 1
393 1 28 THR HA 1 28 THR MG 3.700 . 3.700 2.384 2.209 2.564 . 0 0 "[ . 1 . 2]" 1
394 1 28 THR HA 1 29 THR H 3.250 . 3.250 2.548 2.380 2.909 . 0 0 "[ . 1 . 2]" 1
395 1 28 THR HA 1 29 THR MG 4.880 . 4.880 3.641 3.349 3.855 . 0 0 "[ . 1 . 2]" 1
396 1 28 THR HA 1 52 ILE MD 3.920 . 3.920 3.607 3.021 4.050 0.130 13 0 "[ . 1 . 2]" 1
397 1 28 THR HA 1 62 THR MG 3.050 . 3.050 2.692 2.369 3.108 0.058 19 0 "[ . 1 . 2]" 1
398 1 28 THR HB 1 29 THR H 3.530 . 3.530 2.387 1.821 2.697 . 0 0 "[ . 1 . 2]" 1
399 1 28 THR HB 1 29 THR MG 5.380 . 5.380 3.942 3.113 4.434 . 0 0 "[ . 1 . 2]" 1
400 1 28 THR H 1 31 GLU H 4.700 . 4.700 3.569 3.072 4.113 . 0 0 "[ . 1 . 2]" 1
401 1 28 THR H 1 31 GLU QB 3.740 . 3.740 2.326 1.769 2.765 . 0 0 "[ . 1 . 2]" 1
402 1 28 THR H 1 32 LEU H 4.560 . 4.560 3.963 3.131 4.428 . 0 0 "[ . 1 . 2]" 1
403 1 28 THR MG 1 62 THR HB 3.520 . 3.520 3.431 3.187 3.649 0.129 9 0 "[ . 1 . 2]" 1
404 1 28 THR MG 1 62 THR MG 2.400 . 2.400 2.356 2.083 2.477 0.077 9 0 "[ . 1 . 2]" 1
405 1 29 THR HA 1 33 GLY H 4.330 . 4.330 3.536 3.270 3.798 . 0 0 "[ . 1 . 2]" 1
406 1 29 THR HA 1 48 LEU QB 4.580 . 4.580 3.678 2.663 4.458 . 0 0 "[ . 1 . 2]" 1
407 1 29 THR HA 1 52 ILE MG 5.500 . 5.500 5.298 4.611 5.906 0.406 19 0 "[ . 1 . 2]" 1
408 1 29 THR HB 1 30 LYS H 5.070 . 5.070 3.827 3.100 4.282 . 0 0 "[ . 1 . 2]" 1
409 1 29 THR HB 1 48 LEU QB 3.700 . 3.700 2.403 2.130 2.882 . 0 0 "[ . 1 . 2]" 1
410 1 29 THR HB 1 48 LEU MD1 3.280 . 3.280 2.895 2.276 3.431 0.151 14 0 "[ . 1 . 2]" 1
411 1 29 THR HB 1 48 LEU MD2 4.510 . 4.510 3.948 3.046 4.332 . 0 0 "[ . 1 . 2]" 1
412 1 29 THR H 1 29 THR MG 3.490 . 3.490 2.046 1.657 2.655 . 0 0 "[ . 1 . 2]" 1
413 1 29 THR H 1 30 LYS H 4.180 . 4.180 2.629 2.272 2.842 . 0 0 "[ . 1 . 2]" 1
414 1 29 THR MG 1 48 LEU QB 4.180 . 4.180 2.881 2.179 3.640 . 0 0 "[ . 1 . 2]" 1
415 1 29 THR MG 1 49 GLN HA 3.730 . 3.730 3.058 2.258 3.572 . 0 0 "[ . 1 . 2]" 1
416 1 29 THR MG 1 49 GLN QB 4.820 . 4.820 4.087 2.875 4.976 0.156 6 0 "[ . 1 . 2]" 1
417 1 29 THR MG 1 49 GLN HG3 5.500 . 5.500 4.334 2.948 5.487 . 0 0 "[ . 1 . 2]" 1
418 1 29 THR MG 1 49 GLN HG2 5.500 . 5.500 4.459 2.519 5.576 0.076 10 0 "[ . 1 . 2]" 1
419 1 29 THR MG 1 52 ILE MD 5.140 . 5.140 1.991 1.798 2.459 . 0 0 "[ . 1 . 2]" 1
420 1 29 THR MG 1 52 ILE MG 5.500 . 5.500 2.973 2.154 3.841 . 0 0 "[ . 1 . 2]" 1
421 1 30 LYS HA 1 30 LYS QG 3.740 . 3.740 2.693 2.314 3.312 . 0 0 "[ . 1 . 2]" 1
422 1 30 LYS HA 1 33 GLY H 4.080 . 4.080 3.365 3.203 3.542 . 0 0 "[ . 1 . 2]" 1
423 1 30 LYS HA 1 34 THR H 5.250 . 5.250 3.794 3.504 4.100 . 0 0 "[ . 1 . 2]" 1
424 1 30 LYS H 1 30 LYS QB 3.250 . 3.250 2.336 2.236 2.778 . 0 0 "[ . 1 . 2]" 1
425 1 30 LYS QB 1 31 GLU H 3.350 . 3.350 2.631 2.297 3.450 0.100 9 0 "[ . 1 . 2]" 1
426 1 30 LYS QG 1 31 GLU HA 4.560 . 4.560 3.590 3.038 4.079 . 0 0 "[ . 1 . 2]" 1
427 1 30 LYS QG 1 31 GLU H 4.890 . 4.890 3.054 1.733 3.802 . 0 0 "[ . 1 . 2]" 1
428 1 31 GLU HA 1 31 GLU QG 2.630 . 2.630 2.328 2.279 2.366 . 0 0 "[ . 1 . 2]" 1
429 1 31 GLU HA 1 34 THR HB 3.240 . 3.240 2.946 2.694 3.160 . 0 0 "[ . 1 . 2]" 1
430 1 31 GLU HA 1 34 THR H 3.640 . 3.640 3.260 3.141 3.401 . 0 0 "[ . 1 . 2]" 1
431 1 31 GLU HA 1 35 VAL H 4.240 . 4.240 4.209 3.964 4.338 0.098 4 0 "[ . 1 . 2]" 1
432 1 31 GLU H 1 31 GLU QB 3.420 . 3.420 2.288 2.186 2.349 . 0 0 "[ . 1 . 2]" 1
433 1 31 GLU H 1 31 GLU QG 3.470 . 3.470 2.290 2.138 2.489 . 0 0 "[ . 1 . 2]" 1
434 1 31 GLU H 1 32 LEU H 4.230 . 4.230 2.555 2.463 2.646 . 0 0 "[ . 1 . 2]" 1
435 1 31 GLU QB 1 32 LEU H 3.440 . 3.440 2.386 2.308 2.493 . 0 0 "[ . 1 . 2]" 1
436 1 32 LEU HA 1 32 LEU MD1 3.620 . 3.620 2.551 2.098 3.623 0.003 12 0 "[ . 1 . 2]" 1
437 1 32 LEU HA 1 32 LEU MD2 3.620 . 3.620 3.607 2.186 3.902 0.282 2 0 "[ . 1 . 2]" 1
438 1 32 LEU HA 1 35 VAL H 3.600 . 3.600 3.579 3.388 3.647 0.047 15 0 "[ . 1 . 2]" 1
439 1 32 LEU HA 1 35 VAL HB 3.650 . 3.650 2.753 2.375 2.969 . 0 0 "[ . 1 . 2]" 1
440 1 32 LEU HA 1 35 VAL QG 3.950 . 3.950 3.090 2.884 3.327 . 0 0 "[ . 1 . 2]" 1
441 1 32 LEU HA 1 36 MET H 4.360 . 4.360 4.006 3.686 4.188 . 0 0 "[ . 1 . 2]" 1
442 1 32 LEU HG 1 36 MET HG3 4.500 . 4.500 3.355 2.428 4.850 0.350 11 0 "[ . 1 . 2]" 1
443 1 32 LEU HG 1 36 MET HG2 4.340 . 4.340 3.180 2.501 4.631 0.291 3 0 "[ . 1 . 2]" 1
444 1 32 LEU H 1 32 LEU HB3 3.430 . 3.430 2.554 2.350 2.776 . 0 0 "[ . 1 . 2]" 1
445 1 32 LEU H 1 32 LEU HB2 3.430 . 3.430 2.475 2.267 2.652 . 0 0 "[ . 1 . 2]" 1
446 1 32 LEU H 1 32 LEU QD 4.290 . 4.290 3.688 3.492 3.752 . 0 0 "[ . 1 . 2]" 1
447 1 32 LEU H 1 33 GLY H 5.350 . 5.350 2.541 2.467 2.610 . 0 0 "[ . 1 . 2]" 1
448 1 32 LEU H 1 34 THR H 4.160 . 4.160 4.018 3.897 4.129 . 0 0 "[ . 1 . 2]" 1
449 1 32 LEU QB 1 32 LEU QD 2.770 . 2.770 1.927 1.882 2.016 . 0 0 "[ . 1 . 2]" 1
450 1 32 LEU QB 1 33 GLY H 3.650 . 3.650 2.509 2.394 2.586 . 0 0 "[ . 1 . 2]" 1
451 1 32 LEU QD 1 36 MET H 4.920 . 4.920 3.683 2.930 4.533 . 0 0 "[ . 1 . 2]" 1
452 1 32 LEU QD 1 36 MET QG 3.430 . 3.430 2.489 1.830 3.459 0.029 11 0 "[ . 1 . 2]" 1
453 1 32 LEU MD2 1 36 MET HG3 4.270 . 4.270 3.298 2.094 4.490 0.220 3 0 "[ . 1 . 2]" 1
454 1 32 LEU MD2 1 36 MET HG2 4.150 . 4.150 3.602 2.272 4.222 0.072 6 0 "[ . 1 . 2]" 1
455 1 33 GLY QA 1 48 LEU MD1 3.600 . 3.600 2.777 2.177 3.390 . 0 0 "[ . 1 . 2]" 1
456 1 33 GLY QA 1 48 LEU MD2 3.600 . 3.600 2.986 2.389 3.536 . 0 0 "[ . 1 . 2]" 1
457 1 33 GLY H 1 34 THR H 4.810 . 4.810 2.703 2.641 2.786 . 0 0 "[ . 1 . 2]" 1
458 1 33 GLY H 1 35 VAL H 5.500 . 5.500 4.182 4.057 4.349 . 0 0 "[ . 1 . 2]" 1
459 1 33 GLY QA 1 36 MET QB 3.660 . 3.660 2.319 2.217 3.793 0.133 11 0 "[ . 1 . 2]" 1
460 1 33 GLY HA3 1 36 MET H 4.300 . 4.300 4.491 4.382 4.711 0.411 11 0 "[ . 1 . 2]" 1
461 1 33 GLY HA3 1 36 MET HB3 5.360 . 5.360 5.552 5.479 5.741 0.381 11 0 "[ . 1 . 2]" 1
462 1 33 GLY HA3 1 37 ARG H 4.090 . 4.090 4.206 4.122 4.336 0.246 16 0 "[ . 1 . 2]" 1
463 1 33 GLY HA2 1 36 MET H 4.300 . 4.300 3.191 3.079 3.519 . 0 0 "[ . 1 . 2]" 1
464 1 33 GLY HA2 1 36 MET HB3 4.360 . 4.360 3.904 3.841 4.119 . 0 0 "[ . 1 . 2]" 1
465 1 33 GLY HA2 1 37 ARG H 4.090 . 4.090 3.264 3.064 3.404 . 0 0 "[ . 1 . 2]" 1
466 1 34 THR HA 1 34 THR MG 3.600 . 3.600 2.323 2.249 2.396 . 0 0 "[ . 1 . 2]" 1
467 1 34 THR HA 1 37 ARG H 4.360 . 4.360 3.934 3.755 4.191 . 0 0 "[ . 1 . 2]" 1
468 1 34 THR HA 1 37 ARG QB 3.860 . 3.860 2.644 2.461 2.811 . 0 0 "[ . 1 . 2]" 1
469 1 34 THR HA 1 37 ARG QD 5.340 . 5.340 3.723 3.017 5.336 . 0 0 "[ . 1 . 2]" 1
470 1 34 THR HA 1 38 SER H 4.850 . 4.850 4.041 3.901 4.232 . 0 0 "[ . 1 . 2]" 1
471 1 34 THR HB 1 35 VAL QG 4.320 . 4.320 2.647 2.495 2.759 . 0 0 "[ . 1 . 2]" 1
472 1 34 THR H 1 34 THR MG 4.560 . 4.560 3.735 3.722 3.764 . 0 0 "[ . 1 . 2]" 1
473 1 34 THR H 1 35 VAL H 3.040 . 3.040 2.698 2.618 2.802 . 0 0 "[ . 1 . 2]" 1
474 1 34 THR H 1 36 MET H 4.650 . 4.650 4.301 4.138 4.449 . 0 0 "[ . 1 . 2]" 1
475 1 34 THR H 1 37 ARG QB 5.500 . 5.500 4.290 4.167 4.403 . 0 0 "[ . 1 . 2]" 1
476 1 34 THR MG 1 35 VAL HA 4.630 . 4.630 3.719 3.354 3.851 . 0 0 "[ . 1 . 2]" 1
477 1 34 THR MG 1 35 VAL H 4.820 . 4.820 3.462 3.181 3.596 . 0 0 "[ . 1 . 2]" 1
478 1 34 THR MG 1 35 VAL QG 5.440 . 5.440 3.379 3.012 3.525 . 0 0 "[ . 1 . 2]" 1
479 1 35 VAL HA 1 38 SER H 4.070 . 4.070 3.608 3.401 3.857 . 0 0 "[ . 1 . 2]" 1
480 1 35 VAL HA 1 38 SER HB3 4.500 . 4.500 3.722 2.698 4.582 0.082 11 0 "[ . 1 . 2]" 1
481 1 35 VAL HA 1 38 SER HB2 4.500 . 4.500 3.653 2.469 4.638 0.138 18 0 "[ . 1 . 2]" 1
482 1 35 VAL HA 1 39 LEU H 5.400 . 5.400 4.406 4.280 4.598 . 0 0 "[ . 1 . 2]" 1
483 1 35 VAL H 1 35 VAL HB 3.400 . 3.400 2.351 2.295 2.429 . 0 0 "[ . 1 . 2]" 1
484 1 35 VAL H 1 35 VAL QG 3.080 . 3.080 2.124 1.987 2.248 . 0 0 "[ . 1 . 2]" 1
485 1 35 VAL H 1 35 VAL MG1 3.940 . 3.940 3.703 3.682 3.725 . 0 0 "[ . 1 . 2]" 1
486 1 35 VAL H 1 35 VAL MG2 3.940 . 3.940 2.137 1.995 2.267 . 0 0 "[ . 1 . 2]" 1
487 1 35 VAL H 1 36 MET H 3.680 . 3.680 2.819 2.782 2.856 . 0 0 "[ . 1 . 2]" 1
488 1 35 VAL H 1 36 MET QG 5.480 . 5.480 4.616 3.972 4.881 . 0 0 "[ . 1 . 2]" 1
489 1 35 VAL QG 1 36 MET HA 4.120 . 4.120 3.255 3.120 3.367 . 0 0 "[ . 1 . 2]" 1
490 1 35 VAL QG 1 36 MET H 4.980 . 4.980 2.956 2.799 3.100 . 0 0 "[ . 1 . 2]" 1
491 1 35 VAL QG 1 36 MET QG 4.090 . 4.090 3.270 3.119 4.213 0.123 11 0 "[ . 1 . 2]" 1
492 1 35 VAL QG 1 39 LEU HG 4.530 . 4.530 3.548 2.722 4.454 . 0 0 "[ . 1 . 2]" 1
493 1 35 VAL QG 1 39 LEU QB 5.460 . 5.460 3.555 2.999 4.031 . 0 0 "[ . 1 . 2]" 1
494 1 35 VAL QG 1 39 LEU QD 3.510 . 3.510 2.296 1.904 3.116 . 0 0 "[ . 1 . 2]" 1
495 1 35 VAL MG1 1 36 MET QG 4.890 . 4.890 3.337 3.160 4.475 . 0 0 "[ . 1 . 2]" 1
496 1 35 VAL MG2 1 36 MET QG 4.890 . 4.890 4.802 4.624 5.138 0.248 11 0 "[ . 1 . 2]" 1
497 1 36 MET HA 1 39 LEU QB 4.000 . 4.000 2.321 2.211 2.520 . 0 0 "[ . 1 . 2]" 1
498 1 36 MET HA 1 39 LEU QD 3.600 . 3.600 2.973 2.289 3.894 0.294 1 0 "[ . 1 . 2]" 1
499 1 36 MET HA 1 39 LEU HG 5.500 . 5.500 4.300 3.492 5.256 . 0 0 "[ . 1 . 2]" 1
500 1 36 MET HA 1 39 LEU H 3.600 . 3.600 3.309 3.181 3.503 . 0 0 "[ . 1 . 2]" 1
501 1 36 MET H 1 36 MET QB 3.300 . 3.300 2.308 2.217 2.436 . 0 0 "[ . 1 . 2]" 1
502 1 36 MET H 1 36 MET QG 3.480 . 3.480 2.295 2.038 2.517 . 0 0 "[ . 1 . 2]" 1
503 1 36 MET H 1 37 ARG HA 5.500 . 5.500 5.288 5.217 5.406 . 0 0 "[ . 1 . 2]" 1
504 1 36 MET H 1 38 SER H 5.150 . 5.150 4.237 4.117 4.309 . 0 0 "[ . 1 . 2]" 1
505 1 36 MET H 1 39 LEU QD 5.440 . 5.440 4.337 3.832 5.150 . 0 0 "[ . 1 . 2]" 1
506 1 37 ARG HA 1 37 ARG QD 4.770 . 4.770 3.662 2.064 4.234 . 0 0 "[ . 1 . 2]" 1
507 1 37 ARG HA 1 37 ARG HD3 5.500 . 5.500 4.152 2.363 4.877 . 0 0 "[ . 1 . 2]" 1
508 1 37 ARG HA 1 37 ARG HD2 5.500 . 5.500 4.122 2.269 4.807 . 0 0 "[ . 1 . 2]" 1
509 1 37 ARG HA 1 37 ARG HG2 3.570 . 3.570 3.202 3.025 3.744 0.174 3 0 "[ . 1 . 2]" 1
510 1 37 ARG HA 1 43 PRO QD 5.350 . 5.350 3.352 2.875 4.001 . 0 0 "[ . 1 . 2]" 1
511 1 37 ARG H 1 37 ARG QB 2.850 . 2.850 2.195 2.171 2.245 . 0 0 "[ . 1 . 2]" 1
512 1 37 ARG H 1 38 SER H 3.660 . 3.660 2.743 2.616 2.860 . 0 0 "[ . 1 . 2]" 1
513 1 37 ARG HA 1 40 GLY H 5.200 . 5.200 5.060 4.740 5.251 0.051 18 0 "[ . 1 . 2]" 1
514 1 37 ARG HB2 1 37 ARG QD 3.370 . 3.370 2.466 2.288 2.896 . 0 0 "[ . 1 . 2]" 1
515 1 37 ARG HB2 1 37 ARG HD3 3.970 . 3.970 2.868 2.339 3.734 . 0 0 "[ . 1 . 2]" 1
516 1 37 ARG HB2 1 37 ARG HD2 3.970 . 3.970 3.099 2.434 3.675 . 0 0 "[ . 1 . 2]" 1
517 1 37 ARG HB3 1 37 ARG QD 3.520 . 3.520 2.718 2.339 3.324 . 0 0 "[ . 1 . 2]" 1
518 1 37 ARG HB3 1 38 SER H 3.210 . 3.210 2.181 2.114 2.306 . 0 0 "[ . 1 . 2]" 1
519 1 37 ARG QD 1 38 SER QB 5.500 . 5.500 5.153 4.437 5.581 0.081 5 0 "[ . 1 . 2]" 1
520 1 37 ARG QG 1 38 SER HA 3.350 . 3.350 3.475 3.236 3.577 0.227 8 0 "[ . 1 . 2]" 1
521 1 37 ARG QG 1 38 SER QB 5.180 . 5.180 4.332 4.005 4.788 . 0 0 "[ . 1 . 2]" 1
522 1 38 SER H 1 38 SER QB 3.520 . 3.520 2.364 2.206 2.646 . 0 0 "[ . 1 . 2]" 1
523 1 38 SER H 1 39 LEU H 3.400 . 3.400 2.598 2.484 2.724 . 0 0 "[ . 1 . 2]" 1
524 1 38 SER HA 1 40 GLY H 3.600 . 3.600 3.521 3.353 3.646 0.046 10 0 "[ . 1 . 2]" 1
525 1 38 SER QB 1 39 LEU HA 5.500 . 5.500 4.173 3.869 4.428 . 0 0 "[ . 1 . 2]" 1
526 1 38 SER QB 1 39 LEU HG 5.340 . 5.340 4.545 3.243 5.482 0.142 8 0 "[ . 1 . 2]" 1
527 1 38 SER QB 1 39 LEU H 4.040 . 4.040 3.154 2.656 3.743 . 0 0 "[ . 1 . 2]" 1
528 1 39 LEU H 1 39 LEU HG 4.740 . 4.740 3.593 2.495 4.486 . 0 0 "[ . 1 . 2]" 1
529 1 39 LEU H 1 39 LEU QB 3.020 . 3.020 2.232 2.120 2.328 . 0 0 "[ . 1 . 2]" 1
530 1 39 LEU H 1 39 LEU QD 4.620 . 4.620 3.120 2.190 3.870 . 0 0 "[ . 1 . 2]" 1
531 1 39 LEU H 1 39 LEU MD1 5.310 . 5.310 3.705 2.525 4.373 . 0 0 "[ . 1 . 2]" 1
532 1 39 LEU H 1 39 LEU MD2 5.310 . 5.310 3.733 2.198 4.380 . 0 0 "[ . 1 . 2]" 1
533 1 39 LEU H 1 40 GLY H 3.480 . 3.480 3.109 2.907 3.271 . 0 0 "[ . 1 . 2]" 1
534 1 39 LEU H 1 40 GLY QA 5.500 . 5.500 4.705 4.494 4.895 . 0 0 "[ . 1 . 2]" 1
535 1 39 LEU QB 1 40 GLY H 4.020 . 4.020 3.864 3.806 3.902 . 0 0 "[ . 1 . 2]" 1
536 1 39 LEU HB3 1 40 GLY H 4.750 . 4.750 4.366 4.207 4.457 . 0 0 "[ . 1 . 2]" 1
537 1 39 LEU HB2 1 40 GLY H 4.750 . 4.750 4.325 4.157 4.542 . 0 0 "[ . 1 . 2]" 1
538 1 41 GLN HA 1 41 GLN QG 3.470 . 3.470 2.546 2.263 2.900 . 0 0 "[ . 1 . 2]" 1
539 1 41 GLN H 1 41 GLN QG 4.440 . 4.440 3.409 2.442 4.252 . 0 0 "[ . 1 . 2]" 1
540 1 42 ASN HA 1 43 PRO QD 3.380 . 3.380 2.242 2.171 2.360 . 0 0 "[ . 1 . 2]" 1
541 1 42 ASN HA 1 43 PRO HD3 3.910 . 3.910 2.904 2.436 3.104 . 0 0 "[ . 1 . 2]" 1
542 1 42 ASN HA 1 43 PRO HD2 3.910 . 3.910 2.369 2.263 2.786 . 0 0 "[ . 1 . 2]" 1
543 1 42 ASN HA 1 43 PRO HG3 5.500 . 5.500 4.815 4.576 4.925 . 0 0 "[ . 1 . 2]" 1
544 1 42 ASN HA 1 43 PRO HG2 5.500 . 5.500 4.512 4.394 4.869 . 0 0 "[ . 1 . 2]" 1
545 1 37 ARG HA 1 42 ASN H 5.500 . 5.500 5.306 4.920 5.465 . 0 0 "[ . 1 . 2]" 1
546 1 42 ASN H 1 43 PRO HD3 5.420 . 5.420 2.981 2.649 3.247 . 0 0 "[ . 1 . 2]" 1
547 1 42 ASN H 1 43 PRO HD2 5.420 . 5.420 4.023 3.808 4.330 . 0 0 "[ . 1 . 2]" 1
548 1 43 PRO HA 1 44 THR H 2.980 . 2.980 2.299 2.233 2.343 . 0 0 "[ . 1 . 2]" 1
549 1 43 PRO HA 1 44 THR MG 5.500 . 5.500 4.368 3.454 5.510 0.010 11 0 "[ . 1 . 2]" 1
550 1 43 PRO HA 1 48 LEU MD2 5.090 . 5.090 4.608 4.383 4.882 . 0 0 "[ . 1 . 2]" 1
551 1 43 PRO QB 1 44 THR H 3.650 . 3.650 2.919 2.767 3.103 . 0 0 "[ . 1 . 2]" 1
552 1 43 PRO QD 1 48 LEU MD2 4.400 . 4.400 3.653 2.752 3.891 . 0 0 "[ . 1 . 2]" 1
553 1 43 PRO HG3 1 48 LEU MD2 3.070 . 3.070 2.524 2.189 3.500 0.430 12 0 "[ . 1 . 2]" 1
554 1 44 THR HA 1 44 THR MG 3.230 . 3.230 2.391 2.218 3.176 . 0 0 "[ . 1 . 2]" 1
555 1 44 THR HA 1 45 GLU H 3.300 . 3.300 2.438 2.354 2.537 . 0 0 "[ . 1 . 2]" 1
556 1 44 THR HA 1 45 GLU QB 5.500 . 5.500 4.526 4.200 4.753 . 0 0 "[ . 1 . 2]" 1
557 1 44 THR HA 1 48 LEU MD2 5.500 . 5.500 5.581 5.222 5.670 0.170 1 0 "[ . 1 . 2]" 1
558 1 44 THR HB 1 45 GLU H 3.300 . 3.300 2.936 2.327 3.517 0.217 6 0 "[ . 1 . 2]" 1
559 1 44 THR HB 1 46 ALA MB 5.080 . 5.080 3.631 2.956 4.995 . 0 0 "[ . 1 . 2]" 1
560 1 44 THR HB 1 47 GLU H 4.880 . 4.880 3.547 2.509 4.760 . 0 0 "[ . 1 . 2]" 1
561 1 44 THR H 1 44 THR MG 3.720 . 3.720 2.953 1.716 3.823 0.103 4 0 "[ . 1 . 2]" 1
562 1 44 THR H 1 47 GLU HA 5.500 . 5.500 5.215 4.876 5.523 0.023 14 0 "[ . 1 . 2]" 1
563 1 44 THR H 1 47 GLU H 4.710 . 4.710 3.726 3.518 4.053 . 0 0 "[ . 1 . 2]" 1
564 1 44 THR H 1 47 GLU HB3 4.300 . 4.300 3.431 2.321 4.007 . 0 0 "[ . 1 . 2]" 1
565 1 44 THR H 1 47 GLU HB2 4.300 . 4.300 2.557 2.210 2.933 . 0 0 "[ . 1 . 2]" 1
566 1 44 THR H 1 47 GLU QG 3.180 . 3.180 3.004 2.407 3.388 0.208 6 0 "[ . 1 . 2]" 1
567 1 44 THR MG 1 45 GLU HA 5.320 . 5.320 4.902 3.951 5.560 0.240 9 0 "[ . 1 . 2]" 1
568 1 44 THR MG 1 45 GLU H 3.530 . 3.530 2.914 1.758 3.551 0.021 9 0 "[ . 1 . 2]" 1
569 1 44 THR MG 1 45 GLU QB 5.230 . 5.230 4.345 2.897 5.101 . 0 0 "[ . 1 . 2]" 1
570 1 44 THR MG 1 47 GLU QG 5.100 . 5.100 4.299 3.564 5.339 0.239 1 0 "[ . 1 . 2]" 1
571 1 45 GLU HA 1 48 LEU HG 3.500 . 3.500 3.202 2.555 3.552 0.052 16 0 "[ . 1 . 2]" 1
572 1 45 GLU HA 1 49 GLN H 5.390 . 5.390 3.915 3.699 4.288 . 0 0 "[ . 1 . 2]" 1
573 1 45 GLU H 1 45 GLU QB 3.070 . 3.070 2.400 2.197 2.845 . 0 0 "[ . 1 . 2]" 1
574 1 45 GLU H 1 46 ALA H 4.010 . 4.010 2.802 2.719 2.901 . 0 0 "[ . 1 . 2]" 1
575 1 45 GLU H 1 47 GLU H 5.190 . 5.190 4.332 4.039 4.453 . 0 0 "[ . 1 . 2]" 1
576 1 45 GLU HA 1 48 LEU H 4.530 . 4.530 3.333 3.120 3.557 . 0 0 "[ . 1 . 2]" 1
577 1 45 GLU QB 1 46 ALA H 3.610 . 3.610 2.779 2.432 3.393 . 0 0 "[ . 1 . 2]" 1
578 1 45 GLU QB 1 48 LEU MD1 4.690 . 4.690 3.964 3.192 4.451 . 0 0 "[ . 1 . 2]" 1
579 1 45 GLU HB3 1 46 ALA H 4.170 . 4.170 3.429 2.469 4.277 0.107 18 0 "[ . 1 . 2]" 1
580 1 45 GLU HB3 1 48 LEU MD1 5.500 . 5.500 4.486 3.348 5.117 . 0 0 "[ . 1 . 2]" 1
581 1 45 GLU HB2 1 46 ALA H 4.170 . 4.170 3.276 2.571 4.003 . 0 0 "[ . 1 . 2]" 1
582 1 45 GLU HB2 1 48 LEU MD1 5.500 . 5.500 4.629 3.984 5.375 . 0 0 "[ . 1 . 2]" 1
583 1 45 GLU QG 1 48 LEU MD1 5.230 . 5.230 3.617 2.974 4.455 . 0 0 "[ . 1 . 2]" 1
584 1 45 GLU HG3 1 48 LEU MD1 5.230 . 5.230 4.213 3.178 5.335 0.105 18 0 "[ . 1 . 2]" 1
585 1 45 GLU HG2 1 48 LEU MD1 4.530 . 4.530 4.208 3.096 4.844 0.314 1 0 "[ . 1 . 2]" 1
586 1 46 ALA HA 1 49 GLN H 4.200 . 4.200 3.695 3.570 3.836 . 0 0 "[ . 1 . 2]" 1
587 1 46 ALA HA 1 49 GLN QB 3.210 . 3.210 2.769 2.479 3.141 . 0 0 "[ . 1 . 2]" 1
588 1 46 ALA HA 1 50 ASP H 3.840 . 3.840 3.926 3.740 4.073 0.233 17 0 "[ . 1 . 2]" 1
589 1 46 ALA H 1 46 ALA MB 3.090 . 3.090 2.231 2.206 2.243 . 0 0 "[ . 1 . 2]" 1
590 1 46 ALA H 1 47 GLU H 3.410 . 3.410 2.648 2.580 2.732 . 0 0 "[ . 1 . 2]" 1
591 1 46 ALA H 1 48 LEU H 4.580 . 4.580 4.253 4.123 4.391 . 0 0 "[ . 1 . 2]" 1
592 1 46 ALA MB 1 47 GLU H 3.440 . 3.440 2.345 2.206 2.489 . 0 0 "[ . 1 . 2]" 1
593 1 46 ALA MB 1 47 GLU QG 5.500 . 5.500 3.823 2.745 5.290 . 0 0 "[ . 1 . 2]" 1
594 1 46 ALA MB 1 50 ASP H 5.500 . 5.500 4.459 4.244 4.597 . 0 0 "[ . 1 . 2]" 1
595 1 47 GLU HA 1 47 GLU HG3 3.510 . 3.510 2.928 2.326 3.674 0.164 4 0 "[ . 1 . 2]" 1
596 1 47 GLU HA 1 47 GLU HG2 3.750 . 3.750 3.184 2.401 3.707 . 0 0 "[ . 1 . 2]" 1
597 1 47 GLU HA 1 50 ASP H 4.300 . 4.300 3.608 3.522 3.768 . 0 0 "[ . 1 . 2]" 1
598 1 47 GLU HA 1 50 ASP HB2 3.480 . 3.480 2.511 2.340 2.717 . 0 0 "[ . 1 . 2]" 1
599 1 47 GLU HA 1 51 MET H 4.500 . 4.500 3.869 3.585 4.170 . 0 0 "[ . 1 . 2]" 1
600 1 47 GLU H 1 47 GLU QB 3.580 . 3.580 2.245 2.009 2.390 . 0 0 "[ . 1 . 2]" 1
601 1 47 GLU H 1 47 GLU HB3 4.180 . 4.180 3.271 2.548 3.534 . 0 0 "[ . 1 . 2]" 1
602 1 47 GLU H 1 47 GLU HB2 4.180 . 4.180 2.308 2.025 2.431 . 0 0 "[ . 1 . 2]" 1
603 1 47 GLU H 1 47 GLU HG3 4.570 . 4.570 3.490 1.985 4.438 . 0 0 "[ . 1 . 2]" 1
604 1 47 GLU H 1 48 LEU H 3.400 . 3.400 2.821 2.654 2.955 . 0 0 "[ . 1 . 2]" 1
605 1 47 GLU H 1 49 GLN H 4.460 . 4.460 4.249 4.109 4.375 . 0 0 "[ . 1 . 2]" 1
606 1 47 GLU QB 1 47 GLU HG2 2.440 . 2.440 2.280 2.172 2.450 0.010 19 0 "[ . 1 . 2]" 1
607 1 47 GLU HG3 1 48 LEU H 5.030 . 5.030 4.506 3.589 5.083 0.053 14 0 "[ . 1 . 2]" 1
608 1 47 GLU HG2 1 48 LEU H 5.450 . 5.450 4.701 4.260 5.089 . 0 0 "[ . 1 . 2]" 1
609 1 48 LEU HA 1 48 LEU HG 3.790 . 3.790 3.016 2.876 3.106 . 0 0 "[ . 1 . 2]" 1
610 1 48 LEU HA 1 48 LEU MD1 3.960 . 3.960 3.814 3.798 3.841 . 0 0 "[ . 1 . 2]" 1
611 1 48 LEU HA 1 48 LEU MD2 4.030 . 4.030 2.123 2.095 2.158 . 0 0 "[ . 1 . 2]" 1
612 1 48 LEU HA 1 51 MET QB 2.690 . 2.690 2.427 2.181 2.728 0.038 9 0 "[ . 1 . 2]" 1
613 1 48 LEU HA 1 51 MET HB3 3.500 . 3.500 2.841 2.320 3.815 0.315 8 0 "[ . 1 . 2]" 1
614 1 48 LEU HA 1 51 MET HB2 3.500 . 3.500 2.962 2.237 3.507 0.007 13 0 "[ . 1 . 2]" 1
615 1 48 LEU HA 1 51 MET ME 4.610 . 4.610 4.339 3.441 4.667 0.057 9 0 "[ . 1 . 2]" 1
616 1 48 LEU HA 1 51 MET H 4.210 . 4.210 3.367 3.112 3.604 . 0 0 "[ . 1 . 2]" 1
617 1 48 LEU HA 1 52 ILE H 4.540 . 4.540 3.916 3.326 4.304 . 0 0 "[ . 1 . 2]" 1
618 1 48 LEU HG 1 49 GLN H 3.800 . 3.800 4.025 3.909 4.137 0.337 9 0 "[ . 1 . 2]" 1
619 1 48 LEU H 1 48 LEU HG 3.550 . 3.550 1.956 1.840 2.107 . 0 0 "[ . 1 . 2]" 1
620 1 48 LEU H 1 48 LEU HB3 3.690 . 3.690 3.577 3.553 3.595 . 0 0 "[ . 1 . 2]" 1
621 1 48 LEU H 1 48 LEU HB2 3.380 . 3.380 2.525 2.442 2.618 . 0 0 "[ . 1 . 2]" 1
622 1 48 LEU H 1 48 LEU MD2 4.280 . 4.280 3.146 2.954 3.350 . 0 0 "[ . 1 . 2]" 1
623 1 48 LEU H 1 49 GLN H 2.900 . 2.900 2.673 2.627 2.731 . 0 0 "[ . 1 . 2]" 1
624 1 48 LEU H 1 50 ASP H 4.350 . 4.350 4.038 3.865 4.213 . 0 0 "[ . 1 . 2]" 1
625 1 48 LEU HB3 1 48 LEU MD2 3.610 . 3.610 2.263 2.237 2.294 . 0 0 "[ . 1 . 2]" 1
626 1 48 LEU HB2 1 48 LEU MD2 2.970 . 2.970 3.197 3.184 3.207 0.237 8 0 "[ . 1 . 2]" 1
627 1 48 LEU MD2 1 49 GLN H 5.390 . 5.390 4.543 4.485 4.624 . 0 0 "[ . 1 . 2]" 1
628 1 49 GLN HA 1 49 GLN QG 3.200 . 3.200 2.456 2.318 2.776 . 0 0 "[ . 1 . 2]" 1
629 1 49 GLN HA 1 49 GLN HG3 3.780 . 3.780 2.871 2.416 3.680 . 0 0 "[ . 1 . 2]" 1
630 1 49 GLN HA 1 49 GLN HG2 3.780 . 3.780 2.904 2.347 3.694 . 0 0 "[ . 1 . 2]" 1
631 1 49 GLN HA 1 52 ILE HB 4.730 . 4.730 3.265 2.424 4.255 . 0 0 "[ . 1 . 2]" 1
632 1 49 GLN HA 1 52 ILE H 4.110 . 4.110 3.660 3.446 3.887 . 0 0 "[ . 1 . 2]" 1
633 1 49 GLN HA 1 52 ILE MD 5.210 . 5.210 3.821 2.330 5.337 0.127 17 0 "[ . 1 . 2]" 1
634 1 49 GLN HA 1 52 ILE MG 4.110 . 4.110 2.924 2.101 3.902 . 0 0 "[ . 1 . 2]" 1
635 1 49 GLN HA 1 53 ASN H 4.450 . 4.450 3.982 3.623 4.302 . 0 0 "[ . 1 . 2]" 1
636 1 49 GLN H 1 49 GLN QB 3.070 . 3.070 2.276 2.210 2.392 . 0 0 "[ . 1 . 2]" 1
637 1 49 GLN H 1 49 GLN HB3 3.570 . 3.570 2.980 2.500 3.589 0.019 1 0 "[ . 1 . 2]" 1
638 1 49 GLN H 1 49 GLN HB2 3.570 . 3.570 2.426 2.298 2.561 . 0 0 "[ . 1 . 2]" 1
639 1 49 GLN H 1 49 GLN QG 4.590 . 4.590 3.323 2.166 4.059 . 0 0 "[ . 1 . 2]" 1
640 1 49 GLN H 1 49 GLN HG3 5.320 . 5.320 3.865 2.189 4.604 . 0 0 "[ . 1 . 2]" 1
641 1 49 GLN H 1 49 GLN HG2 5.320 . 5.320 3.893 2.273 4.645 . 0 0 "[ . 1 . 2]" 1
642 1 49 GLN H 1 51 MET H 4.240 . 4.240 3.918 3.708 4.152 . 0 0 "[ . 1 . 2]" 1
643 1 49 GLN QB 1 50 ASP H 3.220 . 3.220 2.497 2.347 2.643 . 0 0 "[ . 1 . 2]" 1
644 1 49 GLN HG3 1 52 ILE MG 5.500 . 5.500 4.529 3.407 5.660 0.160 1 0 "[ . 1 . 2]" 1
645 1 49 GLN HG2 1 52 ILE MG 5.500 . 5.500 4.448 3.757 5.586 0.086 4 0 "[ . 1 . 2]" 1
646 1 50 ASP HA 1 53 ASN H 4.170 . 4.170 3.395 3.184 3.731 . 0 0 "[ . 1 . 2]" 1
647 1 50 ASP HA 1 54 GLU H 4.590 . 4.590 4.100 3.450 4.522 . 0 0 "[ . 1 . 2]" 1
648 1 50 ASP H 1 50 ASP HB3 3.110 . 3.110 3.479 3.441 3.505 0.395 10 0 "[ . 1 . 2]" 1
649 1 50 ASP H 1 50 ASP HB2 3.500 . 3.500 2.228 2.120 2.280 . 0 0 "[ . 1 . 2]" 1
650 1 50 ASP H 1 51 MET H 4.710 . 4.710 2.527 2.373 2.703 . 0 0 "[ . 1 . 2]" 1
651 1 50 ASP H 1 52 ILE H 4.440 . 4.440 4.114 3.965 4.274 . 0 0 "[ . 1 . 2]" 1
652 1 50 ASP HB2 1 51 MET H 3.070 . 3.070 2.718 2.432 2.968 . 0 0 "[ . 1 . 2]" 1
653 1 50 ASP HB2 1 51 MET QB 5.340 . 5.340 4.289 4.092 4.674 . 0 0 "[ . 1 . 2]" 1
654 1 50 ASP HB2 1 52 ILE H 5.500 . 5.500 5.108 4.809 5.327 . 0 0 "[ . 1 . 2]" 1
655 1 51 MET HA 1 51 MET QG 3.210 . 3.210 2.497 2.276 2.916 . 0 0 "[ . 1 . 2]" 1
656 1 51 MET HA 1 53 ASN H 5.500 . 5.500 4.569 4.336 4.709 . 0 0 "[ . 1 . 2]" 1
657 1 51 MET H 1 51 MET QB 2.970 . 2.970 2.229 2.161 2.254 . 0 0 "[ . 1 . 2]" 1
658 1 51 MET H 1 51 MET HB3 3.430 . 3.430 2.764 2.519 3.519 0.089 8 0 "[ . 1 . 2]" 1
659 1 51 MET H 1 51 MET HB2 3.430 . 3.430 2.417 2.193 2.520 . 0 0 "[ . 1 . 2]" 1
660 1 51 MET H 1 52 ILE HA 5.500 . 5.500 5.261 5.175 5.338 . 0 0 "[ . 1 . 2]" 1
661 1 51 MET H 1 52 ILE H 3.270 . 3.270 2.616 2.524 2.709 . 0 0 "[ . 1 . 2]" 1
662 1 51 MET QB 1 51 MET ME 3.490 . 3.490 2.397 2.084 3.123 . 0 0 "[ . 1 . 2]" 1
663 1 51 MET QB 1 52 ILE HA 5.400 . 5.400 4.005 3.791 4.112 . 0 0 "[ . 1 . 2]" 1
664 1 51 MET QB 1 52 ILE H 3.260 . 3.260 2.394 2.222 2.524 . 0 0 "[ . 1 . 2]" 1
665 1 52 ILE HA 1 52 ILE MD 4.340 . 4.340 3.367 2.186 3.789 . 0 0 "[ . 1 . 2]" 1
666 1 52 ILE HA 1 52 ILE QG 3.330 . 3.330 2.294 2.181 2.607 . 0 0 "[ . 1 . 2]" 1
667 1 52 ILE HA 1 52 ILE HG13 4.090 . 4.090 2.489 2.255 2.735 . 0 0 "[ . 1 . 2]" 1
668 1 52 ILE HA 1 52 ILE HG12 4.090 . 4.090 2.898 2.412 3.655 . 0 0 "[ . 1 . 2]" 1
669 1 52 ILE HA 1 52 ILE MG 3.220 . 3.220 2.964 2.476 3.206 . 0 0 "[ . 1 . 2]" 1
670 1 52 ILE HA 1 54 GLU H 5.320 . 5.320 4.339 4.083 4.607 . 0 0 "[ . 1 . 2]" 1
671 1 52 ILE HA 1 55 VAL H 4.710 . 4.710 3.772 3.534 4.145 . 0 0 "[ . 1 . 2]" 1
672 1 52 ILE HA 1 55 VAL QG 4.030 . 4.030 3.070 2.076 4.096 0.066 10 0 "[ . 1 . 2]" 1
673 1 52 ILE HA 1 55 VAL MG1 5.500 . 5.500 3.386 2.079 4.766 . 0 0 "[ . 1 . 2]" 1
674 1 52 ILE HA 1 55 VAL MG2 5.500 . 5.500 4.390 3.452 5.223 . 0 0 "[ . 1 . 2]" 1
675 1 52 ILE HA 1 63 ILE MD 4.320 . 4.320 3.693 2.408 4.378 0.058 5 0 "[ . 1 . 2]" 1
676 1 52 ILE HB 1 52 ILE MD 3.330 . 3.330 2.256 2.160 2.454 . 0 0 "[ . 1 . 2]" 1
677 1 52 ILE HB 1 53 ASN H 4.100 . 4.100 3.225 2.617 3.767 . 0 0 "[ . 1 . 2]" 1
678 1 52 ILE HB 1 63 ILE QG 5.340 . 5.340 5.006 4.406 5.467 0.127 9 0 "[ . 1 . 2]" 1
679 1 52 ILE H 1 52 ILE HB 3.610 . 3.610 2.214 2.056 2.440 . 0 0 "[ . 1 . 2]" 1
680 1 52 ILE H 1 52 ILE QG 4.120 . 4.120 3.412 2.333 4.028 . 0 0 "[ . 1 . 2]" 1
681 1 52 ILE H 1 52 ILE HG13 4.770 . 4.770 3.652 2.358 4.448 . 0 0 "[ . 1 . 2]" 1
682 1 52 ILE H 1 52 ILE HG12 4.770 . 4.770 4.291 3.692 4.632 . 0 0 "[ . 1 . 2]" 1
683 1 52 ILE H 1 52 ILE MG 3.660 . 3.660 2.990 2.152 3.699 0.039 16 0 "[ . 1 . 2]" 1
684 1 52 ILE H 1 53 ASN H 3.490 . 3.490 2.586 2.460 2.751 . 0 0 "[ . 1 . 2]" 1
685 1 52 ILE H 1 54 GLU H 4.170 . 4.170 4.194 3.958 4.368 0.198 20 0 "[ . 1 . 2]" 1
686 1 52 ILE MD 1 61 GLY QA 5.500 . 5.500 4.011 2.570 5.438 . 0 0 "[ . 1 . 2]" 1
687 1 52 ILE MD 1 62 THR HA 4.560 . 4.560 2.828 2.263 3.633 . 0 0 "[ . 1 . 2]" 1
688 1 52 ILE MD 1 62 THR MG 4.200 . 4.200 3.828 3.264 4.401 0.201 17 0 "[ . 1 . 2]" 1
689 1 52 ILE MD 1 63 ILE HA 5.500 . 5.500 4.984 3.844 5.734 0.234 14 0 "[ . 1 . 2]" 1
690 1 52 ILE QG 1 53 ASN H 4.840 . 4.840 4.149 3.803 4.384 . 0 0 "[ . 1 . 2]" 1
691 1 52 ILE QG 1 61 GLY QA 4.600 . 4.600 4.195 2.992 4.978 0.378 13 0 "[ . 1 . 2]" 1
692 1 52 ILE QG 1 63 ILE HA 4.940 . 4.940 4.755 4.167 5.096 0.156 8 0 "[ . 1 . 2]" 1
693 1 52 ILE QG 1 63 ILE MD 3.710 . 3.710 2.701 2.019 3.798 0.088 10 0 "[ . 1 . 2]" 1
694 1 52 ILE QG 1 63 ILE MG 5.340 . 5.340 4.456 3.677 5.058 . 0 0 "[ . 1 . 2]" 1
695 1 52 ILE QG 1 52 ILE MG 3.230 . 3.230 2.216 2.085 2.386 . 0 0 "[ . 1 . 2]" 1
696 1 52 ILE MG 1 53 ASN HA 3.940 . 3.940 2.988 2.841 3.362 . 0 0 "[ . 1 . 2]" 1
697 1 52 ILE MG 1 53 ASN H 4.750 . 4.750 2.305 1.731 3.305 . 0 0 "[ . 1 . 2]" 1
698 1 52 ILE MG 1 56 ASP HB3 5.140 . 5.140 4.318 2.865 5.160 0.020 5 0 "[ . 1 . 2]" 1
699 1 52 ILE MG 1 56 ASP HB2 5.140 . 5.140 3.291 2.149 4.172 . 0 0 "[ . 1 . 2]" 1
700 1 52 ILE MG 1 61 GLY QA 4.580 . 4.580 2.789 2.216 3.551 . 0 0 "[ . 1 . 2]" 1
701 1 52 ILE MG 1 61 GLY HA3 5.380 . 5.380 4.028 3.442 4.836 . 0 0 "[ . 1 . 2]" 1
702 1 52 ILE MG 1 61 GLY HA2 5.380 . 5.380 2.847 2.242 3.654 . 0 0 "[ . 1 . 2]" 1
703 1 52 ILE MG 1 62 THR HA 5.250 . 5.250 4.053 3.008 5.185 . 0 0 "[ . 1 . 2]" 1
704 1 52 ILE MG 1 62 THR H 5.240 . 5.240 4.502 3.386 5.435 0.195 6 0 "[ . 1 . 2]" 1
705 1 52 ILE MG 1 62 THR MG 5.500 . 5.500 4.584 3.942 5.394 . 0 0 "[ . 1 . 2]" 1
706 1 53 ASN HA 1 56 ASP H 4.410 . 4.410 3.539 2.919 4.609 0.199 15 0 "[ . 1 . 2]" 1
707 1 53 ASN HA 1 56 ASP HB3 3.590 . 3.590 2.625 2.250 3.559 . 0 0 "[ . 1 . 2]" 1
708 1 53 ASN HA 1 56 ASP HB2 3.590 . 3.590 2.481 2.218 3.639 0.049 13 0 "[ . 1 . 2]" 1
709 1 53 ASN H 1 53 ASN QB 3.320 . 3.320 2.284 2.169 2.464 . 0 0 "[ . 1 . 2]" 1
710 1 53 ASN H 1 53 ASN HB3 3.840 . 3.840 2.972 2.429 3.568 . 0 0 "[ . 1 . 2]" 1
711 1 53 ASN H 1 53 ASN HB2 3.840 . 3.840 2.468 2.266 2.605 . 0 0 "[ . 1 . 2]" 1
712 1 53 ASN H 1 54 GLU H 3.750 . 3.750 2.812 2.720 2.887 . 0 0 "[ . 1 . 2]" 1
713 1 53 ASN QB 1 54 GLU H 3.640 . 3.640 2.818 2.666 3.083 . 0 0 "[ . 1 . 2]" 1
714 1 54 GLU HA 1 54 GLU QB 2.530 . 2.530 2.305 2.188 2.434 . 0 0 "[ . 1 . 2]" 1
715 1 54 GLU H 1 54 GLU QG 3.740 . 3.740 3.345 1.666 3.923 0.183 15 0 "[ . 1 . 2]" 1
716 1 54 GLU H 1 54 GLU HG3 3.920 . 3.920 3.897 1.799 4.428 0.508 6 1 "[ .+ 1 . 2]" 1
717 1 54 GLU H 1 54 GLU HG2 4.420 . 4.420 3.792 1.673 4.535 0.115 8 0 "[ . 1 . 2]" 1
718 1 54 GLU H 1 55 VAL H 3.480 . 3.480 2.540 2.353 2.791 . 0 0 "[ . 1 . 2]" 1
719 1 54 GLU H 1 55 VAL QG 4.740 . 4.740 3.780 3.384 4.284 . 0 0 "[ . 1 . 2]" 1
720 1 54 GLU QB 1 55 VAL H 4.200 . 4.200 2.644 2.111 3.677 . 0 0 "[ . 1 . 2]" 1
721 1 54 GLU HB3 1 55 VAL H 4.880 . 4.880 2.953 2.128 4.279 . 0 0 "[ . 1 . 2]" 1
722 1 54 GLU HB2 1 55 VAL H 4.880 . 4.880 3.670 2.448 4.290 . 0 0 "[ . 1 . 2]" 1
723 1 54 GLU QG 1 55 VAL HB 4.600 . 4.600 4.391 3.266 4.944 0.344 20 0 "[ . 1 . 2]" 1
724 1 54 GLU QG 1 55 VAL QG 4.640 . 4.640 3.429 2.039 4.486 . 0 0 "[ . 1 . 2]" 1
725 1 54 GLU QG 1 56 ASP H 5.340 . 5.340 4.882 4.291 5.632 0.292 16 0 "[ . 1 . 2]" 1
726 1 54 GLU HG3 1 55 VAL H 5.500 . 5.500 4.013 2.986 5.031 . 0 0 "[ . 1 . 2]" 1
727 1 54 GLU HG2 1 55 VAL H 5.500 . 5.500 3.899 2.710 5.037 . 0 0 "[ . 1 . 2]" 1
728 1 55 VAL HA 1 55 VAL QG 3.030 . 3.030 2.164 2.060 2.328 . 0 0 "[ . 1 . 2]" 1
729 1 55 VAL HA 1 55 VAL MG1 3.730 . 3.730 2.761 2.280 3.219 . 0 0 "[ . 1 . 2]" 1
730 1 55 VAL HA 1 55 VAL MG2 3.730 . 3.730 2.306 2.194 2.398 . 0 0 "[ . 1 . 2]" 1
731 1 55 VAL HB 1 71 LEU MD2 5.500 . 5.500 4.375 2.301 5.613 0.113 20 0 "[ . 1 . 2]" 1
732 1 55 VAL H 1 55 VAL QG 3.200 . 3.200 2.194 1.757 2.871 . 0 0 "[ . 1 . 2]" 1
733 1 55 VAL H 1 56 ASP H 3.660 . 3.660 2.505 1.908 3.503 . 0 0 "[ . 1 . 2]" 1
734 1 55 VAL H 1 56 ASP HB3 5.500 . 5.500 4.740 4.080 5.542 0.042 16 0 "[ . 1 . 2]" 1
735 1 55 VAL H 1 56 ASP HB2 5.500 . 5.500 4.191 3.813 4.772 . 0 0 "[ . 1 . 2]" 1
736 1 55 VAL QG 1 56 ASP HA 3.590 . 3.590 3.384 2.996 3.882 0.292 10 0 "[ . 1 . 2]" 1
737 1 55 VAL QG 1 56 ASP H 4.020 . 4.020 3.131 2.320 3.656 . 0 0 "[ . 1 . 2]" 1
738 1 55 VAL QG 1 67 GLU QB 3.860 . 3.860 3.041 2.144 3.937 0.077 12 0 "[ . 1 . 2]" 1
739 1 55 VAL QG 1 68 PHE HA 4.760 . 4.760 3.873 3.315 4.428 . 0 0 "[ . 1 . 2]" 1
740 1 55 VAL QG 1 70 ASN QB 4.610 . 4.610 3.180 2.109 3.965 . 0 0 "[ . 1 . 2]" 1
741 1 55 VAL QG 1 71 LEU HA 4.200 . 4.200 2.924 2.281 3.890 . 0 0 "[ . 1 . 2]" 1
742 1 55 VAL QG 1 71 LEU HB3 3.070 . 3.070 3.365 3.093 3.592 0.522 18 2 "[ . 1- . + 2]" 1
743 1 55 VAL QG 1 71 LEU HB2 3.330 . 3.330 2.145 2.008 2.314 . 0 0 "[ . 1 . 2]" 1
744 1 55 VAL MG1 1 68 PHE HA 5.500 . 5.500 4.470 3.416 5.570 0.070 12 0 "[ . 1 . 2]" 1
745 1 55 VAL MG1 1 71 LEU HA 5.500 . 5.500 4.258 3.194 5.639 0.139 3 0 "[ . 1 . 2]" 1
746 1 55 VAL MG2 1 68 PHE HA 5.500 . 5.500 4.787 3.366 5.651 0.151 7 0 "[ . 1 . 2]" 1
747 1 55 VAL MG2 1 71 LEU HA 4.130 . 4.130 3.044 2.288 3.991 . 0 0 "[ . 1 . 2]" 1
748 1 56 ASP HA 1 57 ALA H 3.360 . 3.360 2.734 2.414 2.917 . 0 0 "[ . 1 . 2]" 1
749 1 56 ASP HA 1 57 ALA MB 4.920 . 4.920 4.279 4.087 4.396 . 0 0 "[ . 1 . 2]" 1
750 1 56 ASP HA 1 58 ASP H 4.700 . 4.700 3.095 2.964 3.308 . 0 0 "[ . 1 . 2]" 1
751 1 56 ASP HA 1 59 GLY H 5.350 . 5.350 3.316 2.971 3.738 . 0 0 "[ . 1 . 2]" 1
752 1 56 ASP H 1 56 ASP HB3 3.000 . 3.000 2.645 2.252 3.388 0.388 6 0 "[ . 1 . 2]" 1
753 1 56 ASP H 1 56 ASP HB2 3.000 . 3.000 2.501 2.043 2.739 . 0 0 "[ . 1 . 2]" 1
754 1 56 ASP H 1 57 ALA H 4.970 . 4.970 3.294 2.743 3.871 . 0 0 "[ . 1 . 2]" 1
755 1 56 ASP HB3 1 59 GLY H 4.530 . 4.530 3.581 2.924 4.513 . 0 0 "[ . 1 . 2]" 1
756 1 56 ASP HB2 1 59 GLY H 4.530 . 4.530 4.270 3.798 4.567 0.037 20 0 "[ . 1 . 2]" 1
757 1 57 ALA HA 1 59 GLY H 5.500 . 5.500 4.627 4.277 4.980 . 0 0 "[ . 1 . 2]" 1
758 1 57 ALA H 1 57 ALA MB 3.260 . 3.260 2.234 2.189 2.291 . 0 0 "[ . 1 . 2]" 1
759 1 57 ALA H 1 58 ASP H 4.050 . 4.050 2.819 2.640 3.011 . 0 0 "[ . 1 . 2]" 1
760 1 57 ALA H 1 58 ASP QB 5.340 . 5.340 5.060 4.724 5.332 . 0 0 "[ . 1 . 2]" 1
761 1 57 ALA H 1 67 GLU QB 5.500 . 5.500 5.016 3.853 5.605 0.105 7 0 "[ . 1 . 2]" 1
762 1 57 ALA MB 1 58 ASP H 3.450 . 3.450 2.747 2.549 2.881 . 0 0 "[ . 1 . 2]" 1
763 1 57 ALA MB 1 58 ASP QB 4.930 . 4.930 4.089 3.595 4.462 . 0 0 "[ . 1 . 2]" 1
764 1 57 ALA MB 1 59 GLY H 4.550 . 4.550 4.643 4.418 4.796 0.246 20 0 "[ . 1 . 2]" 1
765 1 57 ALA MB 1 67 GLU HG3 5.500 . 5.500 4.333 2.467 5.573 0.073 5 0 "[ . 1 . 2]" 1
766 1 57 ALA MB 1 67 GLU HG2 5.500 . 5.500 4.245 2.520 5.510 0.010 11 0 "[ . 1 . 2]" 1
767 1 58 ASP H 1 59 GLY H 3.520 . 3.520 2.398 2.207 2.576 . 0 0 "[ . 1 . 2]" 1
768 1 58 ASP H 1 59 GLY QA 5.340 . 5.340 4.279 4.089 4.445 . 0 0 "[ . 1 . 2]" 1
769 1 59 GLY H 1 60 ASN H 3.320 . 3.320 2.355 2.231 2.658 . 0 0 "[ . 1 . 2]" 1
770 1 60 ASN H 1 60 ASN QB 3.320 . 3.320 2.644 2.413 2.955 . 0 0 "[ . 1 . 2]" 1
771 1 60 ASN H 1 61 GLY H 3.790 . 3.790 2.353 1.868 2.680 . 0 0 "[ . 1 . 2]" 1
772 1 60 ASN QB 1 62 THR H 5.340 . 5.340 3.200 2.458 3.601 . 0 0 "[ . 1 . 2]" 1
773 1 61 GLY H 1 62 THR H 3.740 . 3.740 2.473 2.225 2.651 . 0 0 "[ . 1 . 2]" 1
774 1 61 GLY HA3 1 62 THR MG 5.500 . 5.500 3.378 3.256 3.503 . 0 0 "[ . 1 . 2]" 1
775 1 61 GLY HA2 1 62 THR MG 5.500 . 5.500 4.220 4.158 4.331 . 0 0 "[ . 1 . 2]" 1
776 1 62 THR HA 1 62 THR MG 3.150 . 3.150 2.308 2.228 2.374 . 0 0 "[ . 1 . 2]" 1
777 1 62 THR HA 1 63 ILE H 3.360 . 3.360 2.398 2.263 2.465 . 0 0 "[ . 1 . 2]" 1
778 1 62 THR HA 1 63 ILE MD 4.970 . 4.970 4.218 3.089 4.719 . 0 0 "[ . 1 . 2]" 1
779 1 62 THR HA 1 63 ILE QG 4.900 . 4.900 3.134 3.014 3.301 . 0 0 "[ . 1 . 2]" 1
780 1 62 THR HA 1 63 ILE MG 5.500 . 5.500 5.289 5.255 5.355 . 0 0 "[ . 1 . 2]" 1
781 1 62 THR HB 1 63 ILE H 3.380 . 3.380 2.489 2.337 2.775 . 0 0 "[ . 1 . 2]" 1
782 1 62 THR HB 1 63 ILE MD 5.500 . 5.500 5.296 4.606 5.628 0.128 4 0 "[ . 1 . 2]" 1
783 1 62 THR H 1 62 THR MG 3.630 . 3.630 2.933 2.788 3.218 . 0 0 "[ . 1 . 2]" 1
784 1 63 ILE HA 1 63 ILE MD 4.010 . 4.010 3.318 2.093 3.875 . 0 0 "[ . 1 . 2]" 1
785 1 63 ILE HA 1 63 ILE MG 3.570 . 3.570 2.267 2.214 2.312 . 0 0 "[ . 1 . 2]" 1
786 1 63 ILE HB 1 68 PHE HA 5.500 . 5.500 5.265 4.782 5.573 0.073 6 0 "[ . 1 . 2]" 1
787 1 63 ILE H 1 63 ILE HB 3.470 . 3.470 2.691 2.627 2.735 . 0 0 "[ . 1 . 2]" 1
788 1 63 ILE H 1 63 ILE MD 4.470 . 4.470 3.399 2.651 3.726 . 0 0 "[ . 1 . 2]" 1
789 1 63 ILE H 1 63 ILE QG 4.460 . 4.460 2.018 1.850 2.113 . 0 0 "[ . 1 . 2]" 1
790 1 63 ILE MD 1 68 PHE HA 4.840 . 4.840 4.206 3.782 4.841 0.001 6 0 "[ . 1 . 2]" 1
791 1 63 ILE MD 1 68 PHE QD 5.370 . 5.370 4.101 3.079 5.402 0.032 14 0 "[ . 1 . 2]" 1
792 1 63 ILE MD 1 63 ILE MG 3.270 . 3.270 1.908 1.773 1.996 . 0 0 "[ . 1 . 2]" 1
793 1 63 ILE MG 1 64 ASP H 4.880 . 4.880 2.778 2.499 3.000 . 0 0 "[ . 1 . 2]" 1
794 1 63 ILE MG 1 65 PHE HA 5.430 . 5.430 4.137 3.996 4.217 . 0 0 "[ . 1 . 2]" 1
795 1 63 ILE MG 1 67 GLU H 4.950 . 4.950 4.146 3.889 4.465 . 0 0 "[ . 1 . 2]" 1
796 1 63 ILE MG 1 68 PHE HA 3.840 . 3.840 2.648 2.254 2.978 . 0 0 "[ . 1 . 2]" 1
797 1 63 ILE MG 1 68 PHE H 3.300 . 3.300 2.604 2.269 2.962 . 0 0 "[ . 1 . 2]" 1
798 1 63 ILE MG 1 68 PHE HB3 3.900 . 3.900 3.164 2.736 3.398 . 0 0 "[ . 1 . 2]" 1
799 1 63 ILE MG 1 68 PHE HB2 4.040 . 4.040 2.066 1.999 2.179 . 0 0 "[ . 1 . 2]" 1
800 1 64 ASP HA 1 66 PRO QD 5.500 . 5.500 4.068 3.528 4.357 . 0 0 "[ . 1 . 2]" 1
801 1 64 ASP H 1 67 GLU H 4.620 . 4.620 3.726 3.305 4.115 . 0 0 "[ . 1 . 2]" 1
802 1 64 ASP H 1 68 PHE H 4.720 . 4.720 3.928 3.602 4.179 . 0 0 "[ . 1 . 2]" 1
803 1 64 ASP QB 1 65 PHE HA 5.160 . 5.160 4.435 4.268 4.639 . 0 0 "[ . 1 . 2]" 1
804 1 64 ASP QB 1 65 PHE H 3.310 . 3.310 2.369 1.941 2.973 . 0 0 "[ . 1 . 2]" 1
805 1 64 ASP QB 1 66 PRO HD3 3.980 . 3.980 3.669 2.992 4.111 0.131 9 0 "[ . 1 . 2]" 1
806 1 64 ASP QB 1 66 PRO HD2 4.230 . 4.230 2.290 2.060 2.451 . 0 0 "[ . 1 . 2]" 1
807 1 64 ASP QB 1 66 PRO QG 4.360 . 4.360 3.168 2.309 4.064 . 0 0 "[ . 1 . 2]" 1
808 1 64 ASP QB 1 67 GLU H 4.100 . 4.100 2.852 2.521 3.897 . 0 0 "[ . 1 . 2]" 1
809 1 65 PHE HA 1 65 PHE QD 3.300 . 3.300 2.350 2.164 2.665 . 0 0 "[ . 1 . 2]" 1
810 1 65 PHE HA 1 65 PHE QE 4.090 . 4.090 4.391 4.265 4.580 0.490 11 0 "[ . 1 . 2]" 1
811 1 65 PHE HA 1 68 PHE H 4.070 . 4.070 3.528 3.336 3.749 . 0 0 "[ . 1 . 2]" 1
812 1 65 PHE HA 1 68 PHE QB 4.520 . 4.520 2.479 2.235 2.867 . 0 0 "[ . 1 . 2]" 1
813 1 65 PHE HA 1 68 PHE QD 4.000 . 4.000 3.632 3.235 4.079 0.079 5 0 "[ . 1 . 2]" 1
814 1 65 PHE HA 1 69 LEU H 4.730 . 4.730 4.416 3.873 4.749 0.019 15 0 "[ . 1 . 2]" 1
815 1 65 PHE H 1 65 PHE QD 5.280 . 5.280 4.186 4.086 4.236 . 0 0 "[ . 1 . 2]" 1
816 1 65 PHE H 1 66 PRO QD 3.550 . 3.550 2.138 1.832 2.545 . 0 0 "[ . 1 . 2]" 1
817 1 65 PHE H 1 67 GLU H 5.210 . 5.210 4.208 3.811 4.663 . 0 0 "[ . 1 . 2]" 1
818 1 65 PHE HZ 1 69 LEU MD1 3.940 . 3.940 2.760 2.248 4.374 0.434 3 0 "[ . 1 . 2]" 1
819 1 65 PHE QB 1 66 PRO QD 5.340 . 5.340 2.096 1.967 2.202 . 0 0 "[ . 1 . 2]" 1
820 1 65 PHE QD 1 66 PRO QB 5.260 . 5.260 4.214 3.830 4.744 . 0 0 "[ . 1 . 2]" 1
821 1 65 PHE QD 1 66 PRO HD3 4.660 . 4.660 2.748 2.523 3.013 . 0 0 "[ . 1 . 2]" 1
822 1 65 PHE QD 1 66 PRO HD2 3.990 . 3.990 4.118 3.763 4.446 0.456 19 0 "[ . 1 . 2]" 1
823 1 65 PHE QD 1 66 PRO QG 5.500 . 5.500 3.836 2.721 4.644 . 0 0 "[ . 1 . 2]" 1
824 1 65 PHE QD 1 68 PHE QB 4.380 . 4.380 3.333 2.988 3.917 . 0 0 "[ . 1 . 2]" 1
825 1 65 PHE QD 1 68 PHE QD 4.100 . 4.100 2.829 2.448 3.393 . 0 0 "[ . 1 . 2]" 1
826 1 65 PHE QD 1 69 LEU MD2 5.500 . 5.500 4.403 3.360 5.700 0.200 2 0 "[ . 1 . 2]" 1
827 1 65 PHE QE 1 69 LEU MD1 4.400 . 4.400 2.844 2.056 4.603 0.203 3 0 "[ . 1 . 2]" 1
828 1 65 PHE QE 1 69 LEU MD2 5.500 . 5.500 3.001 2.125 4.450 . 0 0 "[ . 1 . 2]" 1
829 1 66 PRO HA 1 69 LEU HG 4.120 . 4.120 3.927 2.961 4.743 0.623 15 1 "[ . 1 + 2]" 1
830 1 66 PRO HA 1 69 LEU H 4.030 . 4.030 3.190 2.938 3.494 . 0 0 "[ . 1 . 2]" 1
831 1 66 PRO HA 1 69 LEU QB 4.290 . 4.290 2.449 2.125 2.959 . 0 0 "[ . 1 . 2]" 1
832 1 66 PRO HA 1 69 LEU MD1 4.800 . 4.800 3.311 2.274 4.888 0.088 9 0 "[ . 1 . 2]" 1
833 1 66 PRO HA 1 69 LEU MD2 5.350 . 5.350 4.173 2.777 4.859 . 0 0 "[ . 1 . 2]" 1
834 1 66 PRO HA 1 70 ASN H 4.640 . 4.640 4.269 3.688 4.644 0.004 18 0 "[ . 1 . 2]" 1
835 1 66 PRO QD 1 67 GLU H 4.890 . 4.890 2.859 2.430 3.281 . 0 0 "[ . 1 . 2]" 1
836 1 66 PRO QG 1 67 GLU HA 5.420 . 5.420 4.890 4.127 5.677 0.257 7 0 "[ . 1 . 2]" 1
837 1 66 PRO QG 1 67 GLU H 4.340 . 4.340 2.937 2.098 3.860 . 0 0 "[ . 1 . 2]" 1
838 1 67 GLU HA 1 67 GLU HB2 3.010 . 3.010 2.835 2.477 3.038 0.028 2 0 "[ . 1 . 2]" 1
839 1 67 GLU HA 1 70 ASN H 3.910 . 3.910 3.431 3.144 3.729 . 0 0 "[ . 1 . 2]" 1
840 1 67 GLU HA 1 70 ASN QB 3.330 . 3.330 2.813 2.395 3.052 . 0 0 "[ . 1 . 2]" 1
841 1 67 GLU HA 1 71 LEU H 4.500 . 4.500 4.188 3.676 4.439 . 0 0 "[ . 1 . 2]" 1
842 1 67 GLU H 1 68 PHE H 4.820 . 4.820 2.603 2.299 2.790 . 0 0 "[ . 1 . 2]" 1
843 1 67 GLU QB 1 68 PHE H 4.950 . 4.950 2.335 1.973 2.737 . 0 0 "[ . 1 . 2]" 1
844 1 67 GLU QB 1 68 PHE QB 5.500 . 5.500 3.720 3.547 3.851 . 0 0 "[ . 1 . 2]" 1
845 1 67 GLU HG3 1 68 PHE H 5.500 . 5.500 4.400 4.028 4.832 . 0 0 "[ . 1 . 2]" 1
846 1 67 GLU HG2 1 68 PHE H 5.500 . 5.500 4.331 3.556 5.064 . 0 0 "[ . 1 . 2]" 1
847 1 68 PHE HA 1 68 PHE QD 2.970 . 2.970 2.786 2.572 2.941 . 0 0 "[ . 1 . 2]" 1
848 1 68 PHE HA 1 68 PHE QE 4.760 . 4.760 4.749 4.559 4.876 0.116 2 0 "[ . 1 . 2]" 1
849 1 68 PHE HA 1 71 LEU HG 4.420 . 4.420 4.146 3.466 4.641 0.221 12 0 "[ . 1 . 2]" 1
850 1 68 PHE HA 1 71 LEU H 3.620 . 3.620 3.487 3.308 3.661 0.041 11 0 "[ . 1 . 2]" 1
851 1 68 PHE HA 1 71 LEU HB3 4.500 . 4.500 2.273 2.107 2.685 . 0 0 "[ . 1 . 2]" 1
852 1 68 PHE HA 1 71 LEU HB2 3.230 . 3.230 3.235 2.317 3.423 0.193 7 0 "[ . 1 . 2]" 1
853 1 68 PHE H 1 68 PHE HB3 3.630 . 3.630 2.310 2.168 2.441 . 0 0 "[ . 1 . 2]" 1
854 1 68 PHE H 1 68 PHE HB2 3.920 . 3.920 2.727 2.540 2.975 . 0 0 "[ . 1 . 2]" 1
855 1 68 PHE H 1 68 PHE QD 4.730 . 4.730 4.085 3.944 4.172 . 0 0 "[ . 1 . 2]" 1
856 1 68 PHE H 1 69 LEU H 4.320 . 4.320 2.706 2.482 2.908 . 0 0 "[ . 1 . 2]" 1
857 1 68 PHE HZ 1 72 MET ME 4.630 . 4.630 2.796 2.187 3.438 . 0 0 "[ . 1 . 2]" 1
858 1 68 PHE HA 1 72 MET H 4.500 . 4.500 3.932 3.372 4.260 . 0 0 "[ . 1 . 2]" 1
859 1 68 PHE QD 1 69 LEU HA 4.180 . 4.180 3.653 3.248 4.054 . 0 0 "[ . 1 . 2]" 1
860 1 68 PHE QD 1 69 LEU H 5.500 . 5.500 3.500 3.013 3.924 . 0 0 "[ . 1 . 2]" 1
861 1 68 PHE QD 1 71 LEU MD1 4.740 . 4.740 4.702 3.582 5.001 0.261 6 0 "[ . 1 . 2]" 1
862 1 68 PHE QD 1 71 LEU MD2 4.350 . 4.350 2.466 2.220 4.418 0.068 9 0 "[ . 1 . 2]" 1
863 1 68 PHE QD 1 72 MET ME 5.010 . 5.010 4.845 3.968 5.248 0.238 14 0 "[ . 1 . 2]" 1
864 1 68 PHE QE 1 71 LEU MD1 5.480 . 5.480 5.379 4.379 5.714 0.234 10 0 "[ . 1 . 2]" 1
865 1 68 PHE QE 1 71 LEU MD2 5.500 . 5.500 3.694 2.957 5.556 0.056 9 0 "[ . 1 . 2]" 1
866 1 68 PHE QE 1 72 MET ME 3.940 . 3.940 3.296 2.355 3.748 . 0 0 "[ . 1 . 2]" 1
867 1 69 LEU HA 1 69 LEU HG 4.120 . 4.120 2.915 2.344 3.634 . 0 0 "[ . 1 . 2]" 1
868 1 69 LEU HA 1 69 LEU MD1 3.890 . 3.890 3.156 2.062 3.822 . 0 0 "[ . 1 . 2]" 1
869 1 69 LEU HA 1 69 LEU MD2 3.600 . 3.600 2.569 2.080 3.799 0.199 20 0 "[ . 1 . 2]" 1
870 1 69 LEU HA 1 72 MET H 3.630 . 3.630 3.388 3.161 3.771 0.141 20 0 "[ . 1 . 2]" 1
871 1 69 LEU HA 1 72 MET QB 4.330 . 4.330 2.604 2.303 3.178 . 0 0 "[ . 1 . 2]" 1
872 1 69 LEU HA 1 73 ALA H 4.500 . 4.500 3.703 3.445 4.010 . 0 0 "[ . 1 . 2]" 1
873 1 69 LEU HG 1 70 ASN H 5.500 . 5.500 4.514 3.462 5.168 . 0 0 "[ . 1 . 2]" 1
874 1 69 LEU H 1 69 LEU QB 3.580 . 3.580 2.244 2.102 2.405 . 0 0 "[ . 1 . 2]" 1
875 1 69 LEU H 1 69 LEU MD2 5.250 . 5.250 3.882 2.455 4.332 . 0 0 "[ . 1 . 2]" 1
876 1 69 LEU H 1 70 ASN H 4.630 . 4.630 2.566 2.359 2.755 . 0 0 "[ . 1 . 2]" 1
877 1 69 LEU QB 1 70 ASN H 3.830 . 3.830 2.632 2.328 2.824 . 0 0 "[ . 1 . 2]" 1
878 1 70 ASN HA 1 73 ALA MB 3.500 . 3.500 2.428 2.231 2.703 . 0 0 "[ . 1 . 2]" 1
879 1 70 ASN HA 1 73 ALA H 3.600 . 3.600 3.536 3.277 3.705 0.105 14 0 "[ . 1 . 2]" 1
880 1 70 ASN HA 1 74 ARG H 4.020 . 4.020 3.852 3.539 4.062 0.042 1 0 "[ . 1 . 2]" 1
881 1 70 ASN H 1 70 ASN QB 3.260 . 3.260 2.245 2.153 2.515 . 0 0 "[ . 1 . 2]" 1
882 1 70 ASN H 1 71 LEU H 3.620 . 3.620 2.499 2.351 2.654 . 0 0 "[ . 1 . 2]" 1
883 1 70 ASN H 1 71 LEU HB2 5.070 . 5.070 4.819 4.258 5.113 0.043 7 0 "[ . 1 . 2]" 1
884 1 70 ASN H 1 71 LEU MD2 5.500 . 5.500 5.568 5.374 5.673 0.173 5 0 "[ . 1 . 2]" 1
885 1 70 ASN H 1 72 MET H 4.290 . 4.290 4.102 3.758 4.495 0.205 10 0 "[ . 1 . 2]" 1
886 1 71 LEU HA 1 71 LEU HB3 2.980 . 2.980 2.995 2.974 3.017 0.037 19 0 "[ . 1 . 2]" 1
887 1 71 LEU HA 1 71 LEU HB2 2.750 . 2.750 2.381 2.320 2.617 . 0 0 "[ . 1 . 2]" 1
888 1 71 LEU HA 1 71 LEU MD1 4.290 . 4.290 2.503 2.245 3.561 . 0 0 "[ . 1 . 2]" 1
889 1 71 LEU HA 1 74 ARG H 3.720 . 3.720 3.800 3.529 3.944 0.224 9 0 "[ . 1 . 2]" 1
890 1 71 LEU HA 1 75 LYS H 4.500 . 4.500 4.194 3.776 4.575 0.075 9 0 "[ . 1 . 2]" 1
891 1 71 LEU HA 1 74 ARG QB 3.600 . 3.600 3.003 2.699 3.368 . 0 0 "[ . 1 . 2]" 1
892 1 71 LEU HA 1 74 ARG QG 4.600 . 4.600 4.360 3.216 4.923 0.323 19 0 "[ . 1 . 2]" 1
893 1 71 LEU HG 1 72 MET H 3.740 . 3.740 3.230 2.402 4.008 0.268 9 0 "[ . 1 . 2]" 1
894 1 71 LEU H 1 71 LEU HG 4.640 . 4.640 4.206 4.059 4.426 . 0 0 "[ . 1 . 2]" 1
895 1 71 LEU H 1 71 LEU QB 3.240 . 3.240 1.995 1.949 2.040 . 0 0 "[ . 1 . 2]" 1
896 1 71 LEU H 1 72 MET H 2.940 . 2.940 2.751 2.551 3.030 0.090 9 0 "[ . 1 . 2]" 1
897 1 71 LEU QB 1 72 MET H 3.830 . 3.830 2.363 1.885 2.768 . 0 0 "[ . 1 . 2]" 1
898 1 72 MET HA 1 72 MET ME 4.250 . 4.250 3.545 2.365 4.252 0.002 10 0 "[ . 1 . 2]" 1
899 1 72 MET HA 1 75 LYS H 3.650 . 3.650 3.426 3.235 3.604 . 0 0 "[ . 1 . 2]" 1
900 1 72 MET HA 1 75 LYS QB 3.290 . 3.290 2.501 2.293 2.800 . 0 0 "[ . 1 . 2]" 1
901 1 72 MET HA 1 76 MET H 4.530 . 4.530 3.991 3.625 4.418 . 0 0 "[ . 1 . 2]" 1
902 1 72 MET H 1 72 MET QB 3.270 . 3.270 2.200 2.042 2.560 . 0 0 "[ . 1 . 2]" 1
903 1 72 MET H 1 72 MET HB3 3.750 . 3.750 3.252 2.581 3.579 . 0 0 "[ . 1 . 2]" 1
904 1 72 MET H 1 72 MET HB2 3.750 . 3.750 2.245 2.059 2.622 . 0 0 "[ . 1 . 2]" 1
905 1 72 MET H 1 72 MET QG 4.070 . 4.070 3.121 1.964 4.043 . 0 0 "[ . 1 . 2]" 1
906 1 73 ALA HA 1 76 MET QB 4.520 . 4.520 2.482 2.235 2.888 . 0 0 "[ . 1 . 2]" 1
907 1 73 ALA HA 1 76 MET ME 5.500 . 5.500 4.648 2.524 5.555 0.055 17 0 "[ . 1 . 2]" 1
908 1 73 ALA HA 1 76 MET QG 4.820 . 4.820 3.924 3.035 4.504 . 0 0 "[ . 1 . 2]" 1
909 1 73 ALA HA 1 76 MET H 3.620 . 3.620 3.425 3.229 3.646 0.026 1 0 "[ . 1 . 2]" 1
910 1 73 ALA H 1 73 ALA MB 3.260 . 3.260 2.241 2.204 2.271 . 0 0 "[ . 1 . 2]" 1
911 1 73 ALA H 1 74 ARG H 3.870 . 3.870 2.572 2.335 2.780 . 0 0 "[ . 1 . 2]" 1
912 1 73 ALA H 1 75 LYS QB 5.310 . 5.310 4.752 4.485 5.021 . 0 0 "[ . 1 . 2]" 1
913 1 73 ALA MB 1 74 ARG H 3.940 . 3.940 2.526 2.340 2.705 . 0 0 "[ . 1 . 2]" 1
914 1 74 ARG H 1 74 ARG QB 3.550 . 3.550 2.247 2.116 2.364 . 0 0 "[ . 1 . 2]" 1
915 1 74 ARG H 1 74 ARG HB3 4.150 . 4.150 2.931 2.398 3.576 . 0 0 "[ . 1 . 2]" 1
916 1 74 ARG H 1 74 ARG HB2 4.150 . 4.150 2.422 2.135 2.642 . 0 0 "[ . 1 . 2]" 1
917 1 74 ARG H 1 74 ARG QD 4.840 . 4.840 4.099 2.496 4.663 . 0 0 "[ . 1 . 2]" 1
918 1 74 ARG H 1 74 ARG HG3 4.560 . 4.560 3.946 2.269 4.516 . 0 0 "[ . 1 . 2]" 1
919 1 74 ARG H 1 74 ARG HG2 4.560 . 4.560 3.845 2.348 4.614 0.054 16 0 "[ . 1 . 2]" 1
920 1 74 ARG H 1 75 LYS H 3.550 . 3.550 2.525 2.287 2.695 . 0 0 "[ . 1 . 2]" 1
921 1 74 ARG QB 1 74 ARG QD 3.200 . 3.200 2.281 2.116 2.642 . 0 0 "[ . 1 . 2]" 1
922 1 75 LYS H 1 75 LYS QB 3.220 . 3.220 2.242 2.096 2.352 . 0 0 "[ . 1 . 2]" 1
923 1 76 MET HA 1 76 MET ME 4.710 . 4.710 3.871 2.421 4.765 0.055 6 0 "[ . 1 . 2]" 1
924 1 76 MET HA 1 76 MET QG 3.020 . 3.020 2.538 2.237 3.153 0.133 20 0 "[ . 1 . 2]" 1
925 1 76 MET H 1 76 MET QG 4.420 . 4.420 3.487 2.254 4.045 . 0 0 "[ . 1 . 2]" 1
926 1 77 LYS HA 1 77 LYS QG 3.650 . 3.650 2.468 2.249 3.323 . 0 0 "[ . 1 . 2]" 1
927 1 77 LYS H 1 77 LYS QB 3.490 . 3.490 2.273 2.133 2.462 . 0 0 "[ . 1 . 2]" 1
928 1 77 LYS H 1 77 LYS HG3 5.500 . 5.500 3.981 2.064 4.466 . 0 0 "[ . 1 . 2]" 1
929 1 77 LYS H 1 77 LYS HG2 5.500 . 5.500 4.113 2.034 4.719 . 0 0 "[ . 1 . 2]" 1
930 1 77 LYS H 1 78 ASP H 5.500 . 5.500 2.772 2.472 3.298 . 0 0 "[ . 1 . 2]" 1
931 1 77 LYS QB 1 79 THR H 5.340 . 5.340 5.055 3.647 5.709 0.369 16 0 "[ . 1 . 2]" 1
932 1 77 LYS HB3 1 78 ASP H 5.500 . 5.500 2.759 1.771 4.445 . 0 0 "[ . 1 . 2]" 1
933 1 77 LYS HB2 1 78 ASP H 5.500 . 5.500 3.595 1.824 4.139 . 0 0 "[ . 1 . 2]" 1
934 1 77 LYS QE 1 77 LYS QG 3.300 . 3.300 2.243 2.140 2.357 . 0 0 "[ . 1 . 2]" 1
935 1 78 ASP QB 1 79 THR HA 5.340 . 5.340 4.559 3.779 5.524 0.184 9 0 "[ . 1 . 2]" 1
936 1 78 ASP QB 1 79 THR H 4.300 . 4.300 3.013 1.763 4.022 . 0 0 "[ . 1 . 2]" 1
937 1 79 THR H 1 79 THR HB 4.060 . 4.060 3.431 2.480 4.000 . 0 0 "[ . 1 . 2]" 1
938 1 79 THR H 1 79 THR MG 4.030 . 4.030 2.694 1.756 3.912 . 0 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 12
_Distance_constraint_stats_list.Viol_count 117
_Distance_constraint_stats_list.Viol_total 1881.181
_Distance_constraint_stats_list.Viol_max 2.207
_Distance_constraint_stats_list.Viol_rms 0.6459
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3919
_Distance_constraint_stats_list.Viol_average_violations_only 0.8039
_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 20 ASP 30.065 1.982 2 20 [*+-*****************]
1 22 ASP 21.206 2.207 3 11 "[ + . ***** *.*- **]"
1 24 ASP 2.127 0.884 2 1 "[ + . 1 . 2]"
1 26 CYS 0.290 0.205 11 0 "[ . 1 . 2]"
1 31 GLU 1.453 0.242 8 0 "[ . 1 . 2]"
1 56 ASP 28.215 1.909 3 19 [**+*.-**************]
1 58 ASP 5.762 1.026 20 5 "[ * * 1 -* +]"
1 60 ASN 0.883 0.510 5 1 "[ + 1 . 2]"
1 62 THR 0.327 0.258 5 0 "[ . 1 . 2]"
1 67 GLU 3.731 0.709 2 1 "[ + . 1 . 2]"
2 1 CA 55.141 2.207 3 20 [**+*****************]
3 1 CA 38.918 1.909 3 20 [**+***********-*****]
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 20 ASP OD2 2 1 CA CA 3.000 . 3.000 4.503 3.678 4.982 1.982 2 20 [*+-*****************] 2
2 1 22 ASP OD1 2 1 CA CA 3.000 . 3.000 3.971 2.568 5.207 2.207 3 11 "[ + . ***** *.*- **]" 2
3 1 24 ASP OD2 2 1 CA CA 3.000 . 3.000 2.968 2.467 3.884 0.884 2 1 "[ + . 1 . 2]" 2
4 1 26 CYS O 2 1 CA CA 3.000 . 3.000 2.709 2.289 3.205 0.205 11 0 "[ . 1 . 2]" 2
5 1 31 GLU OE1 2 1 CA CA 3.000 . 3.000 2.975 2.524 3.242 0.242 8 0 "[ . 1 . 2]" 2
6 1 31 GLU OE2 2 1 CA CA 3.000 . 3.000 2.753 2.452 3.167 0.167 13 0 "[ . 1 . 2]" 2
7 1 56 ASP OD2 3 1 CA CA 3.000 . 3.000 4.411 3.034 4.909 1.909 3 19 [**+*.-**************] 2
8 1 58 ASP OD2 3 1 CA CA 3.000 . 3.000 3.264 2.647 4.026 1.026 20 5 "[ * * 1 -* +]" 2
9 1 60 ASN OD1 3 1 CA CA 3.000 . 3.000 2.750 2.358 3.510 0.510 5 1 "[ + 1 . 2]" 2
10 1 62 THR O 3 1 CA CA 3.000 . 3.000 2.790 2.495 3.258 0.258 5 0 "[ . 1 . 2]" 2
11 1 67 GLU OE1 3 1 CA CA 3.000 . 3.000 2.883 2.586 3.709 0.709 2 1 "[ + . 1 . 2]" 2
12 1 67 GLU OE2 3 1 CA CA 3.000 . 3.000 2.956 2.214 3.688 0.688 2 1 "[ + . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 68
_Distance_constraint_stats_list.Viol_count 310
_Distance_constraint_stats_list.Viol_total 576.332
_Distance_constraint_stats_list.Viol_max 0.331
_Distance_constraint_stats_list.Viol_rms 0.0516
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0212
_Distance_constraint_stats_list.Viol_average_violations_only 0.0930
_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 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 6.086 0.331 19 0 "[ . 1 . 2]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.143 0.098 16 0 "[ . 1 . 2]"
1 12 PHE 6.163 0.331 19 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.174 0.064 9 0 "[ . 1 . 2]"
1 15 ALA 1.009 0.171 6 0 "[ . 1 . 2]"
1 16 PHE 0.077 0.028 16 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.174 0.064 9 0 "[ . 1 . 2]"
1 19 PHE 0.866 0.171 6 0 "[ . 1 . 2]"
1 27 ILE 6.036 0.204 5 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.794 0.093 4 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 THR 0.209 0.074 11 0 "[ . 1 . 2]"
1 35 VAL 2.516 0.214 17 0 "[ . 1 . 2]"
1 36 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.209 0.074 11 0 "[ . 1 . 2]"
1 39 LEU 1.722 0.214 17 0 "[ . 1 . 2]"
1 44 THR 1.434 0.176 20 0 "[ . 1 . 2]"
1 45 GLU 0.044 0.044 1 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 1.658 0.176 20 0 "[ . 1 . 2]"
1 49 GLN 0.641 0.227 20 0 "[ . 1 . 2]"
1 50 ASP 2.170 0.255 20 0 "[ . 1 . 2]"
1 51 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.224 0.098 16 0 "[ . 1 . 2]"
1 53 ASN 0.597 0.227 20 0 "[ . 1 . 2]"
1 54 GLU 2.170 0.255 20 0 "[ . 1 . 2]"
1 63 ILE 6.036 0.204 5 0 "[ . 1 . 2]"
1 65 PHE 1.930 0.292 15 0 "[ . 1 . 2]"
1 66 PRO 1.597 0.212 17 0 "[ . 1 . 2]"
1 67 GLU 1.856 0.240 8 0 "[ . 1 . 2]"
1 68 PHE 0.638 0.196 4 0 "[ . 1 . 2]"
1 69 LEU 1.930 0.292 15 0 "[ . 1 . 2]"
1 70 ASN 1.597 0.212 17 0 "[ . 1 . 2]"
1 71 LEU 3.859 0.240 8 0 "[ . 1 . 2]"
1 72 MET 0.855 0.196 4 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 2.002 0.220 4 0 "[ . 1 . 2]"
1 76 MET 0.216 0.058 5 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 ASP O 1 10 SER H 2.100 . 2.100 1.662 1.508 2.098 . 0 0 "[ . 1 . 2]" 3
2 1 6 ASP O 1 10 SER N 3.100 . 3.100 2.617 2.460 2.962 . 0 0 "[ . 1 . 2]" 3
3 1 7 GLU O 1 11 GLU H 2.100 . 2.100 1.859 1.710 1.964 . 0 0 "[ . 1 . 2]" 3
4 1 7 GLU O 1 11 GLU N 3.100 . 3.100 2.783 2.657 2.913 . 0 0 "[ . 1 . 2]" 3
5 1 8 GLN O 1 12 PHE H 2.100 . 2.100 2.325 2.080 2.431 0.331 19 0 "[ . 1 . 2]" 3
6 1 8 GLN O 1 12 PHE N 3.100 . 3.100 3.159 2.935 3.342 0.242 6 0 "[ . 1 . 2]" 3
7 1 9 ILE O 1 13 LYS H 2.100 . 2.100 1.747 1.594 1.900 . 0 0 "[ . 1 . 2]" 3
8 1 9 ILE O 1 13 LYS N 3.100 . 3.100 2.705 2.565 2.847 . 0 0 "[ . 1 . 2]" 3
9 1 10 SER O 1 14 GLU H 2.100 . 2.100 1.726 1.393 2.046 . 0 0 "[ . 1 . 2]" 3
10 1 10 SER O 1 14 GLU N 3.100 . 3.100 2.677 2.375 2.959 . 0 0 "[ . 1 . 2]" 3
11 1 11 GLU O 1 15 ALA H 2.100 . 2.100 2.022 1.850 2.198 0.098 16 0 "[ . 1 . 2]" 3
12 1 11 GLU O 1 15 ALA N 3.100 . 3.100 2.936 2.772 3.070 . 0 0 "[ . 1 . 2]" 3
13 1 12 PHE O 1 16 PHE H 2.100 . 2.100 1.962 1.787 2.128 0.028 16 0 "[ . 1 . 2]" 3
14 1 12 PHE O 1 16 PHE N 3.100 . 3.100 2.884 2.672 3.035 . 0 0 "[ . 1 . 2]" 3
15 1 13 LYS O 1 17 SER H 2.100 . 2.100 1.908 1.775 2.013 . 0 0 "[ . 1 . 2]" 3
16 1 13 LYS O 1 17 SER N 3.100 . 3.100 2.876 2.750 2.974 . 0 0 "[ . 1 . 2]" 3
17 1 14 GLU O 1 18 LEU H 2.100 . 2.100 2.050 1.972 2.164 0.064 9 0 "[ . 1 . 2]" 3
18 1 14 GLU O 1 18 LEU N 3.100 . 3.100 2.922 2.835 3.067 . 0 0 "[ . 1 . 2]" 3
19 1 15 ALA O 1 19 PHE H 2.100 . 2.100 2.124 1.993 2.271 0.171 6 0 "[ . 1 . 2]" 3
20 1 15 ALA O 1 19 PHE N 3.100 . 3.100 2.954 2.855 3.088 . 0 0 "[ . 1 . 2]" 3
21 1 29 THR O 1 33 GLY H 2.100 . 2.100 1.586 1.410 1.778 . 0 0 "[ . 1 . 2]" 3
22 1 29 THR O 1 33 GLY N 3.100 . 3.100 2.431 2.352 2.610 . 0 0 "[ . 1 . 2]" 3
23 1 30 LYS O 1 34 THR H 2.100 . 2.100 1.639 1.525 1.819 . 0 0 "[ . 1 . 2]" 3
24 1 30 LYS O 1 34 THR N 3.100 . 3.100 2.538 2.425 2.726 . 0 0 "[ . 1 . 2]" 3
25 1 31 GLU O 1 35 VAL H 2.100 . 2.100 2.110 1.949 2.193 0.093 4 0 "[ . 1 . 2]" 3
26 1 31 GLU O 1 35 VAL N 3.100 . 3.100 3.065 2.909 3.154 0.054 4 0 "[ . 1 . 2]" 3
27 1 32 LEU O 1 36 MET H 2.100 . 2.100 1.729 1.524 1.855 . 0 0 "[ . 1 . 2]" 3
28 1 32 LEU O 1 36 MET N 3.100 . 3.100 2.702 2.504 2.833 . 0 0 "[ . 1 . 2]" 3
29 1 33 GLY O 1 37 ARG H 2.100 . 2.100 1.497 1.413 1.674 . 0 0 "[ . 1 . 2]" 3
30 1 33 GLY O 1 37 ARG N 3.100 . 3.100 2.440 2.363 2.565 . 0 0 "[ . 1 . 2]" 3
31 1 34 THR O 1 38 SER H 2.100 . 2.100 2.028 1.892 2.174 0.074 11 0 "[ . 1 . 2]" 3
32 1 34 THR O 1 38 SER N 3.100 . 3.100 2.939 2.824 3.079 . 0 0 "[ . 1 . 2]" 3
33 1 35 VAL O 1 39 LEU H 2.100 . 2.100 2.184 2.072 2.314 0.214 17 0 "[ . 1 . 2]" 3
34 1 35 VAL O 1 39 LEU N 3.100 . 3.100 2.866 2.693 3.118 0.018 11 0 "[ . 1 . 2]" 3
35 1 44 THR O 1 48 LEU H 2.100 . 2.100 2.146 2.053 2.276 0.176 20 0 "[ . 1 . 2]" 3
36 1 44 THR O 1 48 LEU N 3.100 . 3.100 3.092 2.981 3.208 0.108 20 0 "[ . 1 . 2]" 3
37 1 45 GLU O 1 49 GLN H 2.100 . 2.100 1.938 1.831 2.144 0.044 1 0 "[ . 1 . 2]" 3
38 1 45 GLU O 1 49 GLN N 3.100 . 3.100 2.895 2.790 3.096 . 0 0 "[ . 1 . 2]" 3
39 1 46 ALA O 1 50 ASP H 2.100 . 2.100 1.857 1.621 2.089 . 0 0 "[ . 1 . 2]" 3
40 1 46 ALA O 1 50 ASP N 3.100 . 3.100 2.755 2.525 3.026 . 0 0 "[ . 1 . 2]" 3
41 1 47 GLU O 1 51 MET H 2.100 . 2.100 1.764 1.557 1.952 . 0 0 "[ . 1 . 2]" 3
42 1 47 GLU O 1 51 MET N 3.100 . 3.100 2.618 2.414 2.794 . 0 0 "[ . 1 . 2]" 3
43 1 48 LEU O 1 52 ILE H 2.100 . 2.100 1.936 1.685 2.198 0.098 16 0 "[ . 1 . 2]" 3
44 1 48 LEU O 1 52 ILE N 3.100 . 3.100 2.869 2.627 3.103 0.003 16 0 "[ . 1 . 2]" 3
45 1 49 GLN O 1 53 ASN H 2.100 . 2.100 1.969 1.640 2.327 0.227 20 0 "[ . 1 . 2]" 3
46 1 49 GLN O 1 53 ASN N 3.100 . 3.100 2.858 2.569 3.137 0.037 17 0 "[ . 1 . 2]" 3
47 1 50 ASP O 1 54 GLU H 2.100 . 2.100 2.177 1.985 2.355 0.255 20 0 "[ . 1 . 2]" 3
48 1 50 ASP O 1 54 GLU N 3.100 . 3.100 3.029 2.857 3.236 0.136 20 0 "[ . 1 . 2]" 3
49 1 65 PHE O 1 69 LEU H 2.100 . 2.100 2.137 1.622 2.392 0.292 15 0 "[ . 1 . 2]" 3
50 1 65 PHE O 1 69 LEU N 3.100 . 3.100 2.926 2.546 3.168 0.068 15 0 "[ . 1 . 2]" 3
51 1 66 PRO O 1 70 ASN H 2.100 . 2.100 2.073 1.612 2.312 0.212 17 0 "[ . 1 . 2]" 3
52 1 66 PRO O 1 70 ASN N 3.100 . 3.100 2.973 2.594 3.165 0.065 17 0 "[ . 1 . 2]" 3
53 1 67 GLU O 1 71 LEU H 2.100 . 2.100 2.019 1.507 2.340 0.240 8 0 "[ . 1 . 2]" 3
54 1 67 GLU O 1 71 LEU N 3.100 . 3.100 2.965 2.478 3.256 0.156 8 0 "[ . 1 . 2]" 3
55 1 68 PHE O 1 72 MET H 2.100 . 2.100 1.955 1.602 2.296 0.196 4 0 "[ . 1 . 2]" 3
56 1 68 PHE O 1 72 MET N 3.100 . 3.100 2.852 2.552 3.200 0.100 8 0 "[ . 1 . 2]" 3
57 1 69 LEU O 1 73 ALA H 2.100 . 2.100 1.714 1.556 1.946 . 0 0 "[ . 1 . 2]" 3
58 1 69 LEU O 1 73 ALA N 3.100 . 3.100 2.569 2.395 2.734 . 0 0 "[ . 1 . 2]" 3
59 1 70 ASN O 1 74 ARG H 2.100 . 2.100 1.812 1.524 2.053 . 0 0 "[ . 1 . 2]" 3
60 1 70 ASN O 1 74 ARG N 3.100 . 3.100 2.713 2.437 2.902 . 0 0 "[ . 1 . 2]" 3
61 1 71 LEU O 1 75 LYS H 2.100 . 2.100 2.095 1.722 2.320 0.220 4 0 "[ . 1 . 2]" 3
62 1 71 LEU O 1 75 LYS N 3.100 . 3.100 2.997 2.591 3.227 0.127 15 0 "[ . 1 . 2]" 3
63 1 72 MET O 1 76 MET H 2.100 . 2.100 1.974 1.623 2.158 0.058 5 0 "[ . 1 . 2]" 3
64 1 72 MET O 1 76 MET N 3.100 . 3.100 2.763 2.427 3.059 . 0 0 "[ . 1 . 2]" 3
65 1 27 ILE H 1 63 ILE O 2.100 . 2.100 2.207 2.117 2.304 0.204 5 0 "[ . 1 . 2]" 3
66 1 27 ILE N 1 63 ILE O 3.100 . 3.100 3.108 2.997 3.205 0.105 8 0 "[ . 1 . 2]" 3
67 1 27 ILE O 1 63 ILE H 2.100 . 2.100 2.202 2.145 2.253 0.153 12 0 "[ . 1 . 2]" 3
68 1 27 ILE O 1 63 ILE N 3.100 . 3.100 3.170 3.097 3.217 0.117 12 0 "[ . 1 . 2]" 3
stop_
save_
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