NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
525807 |
2lbf   |
17557 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lbf
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 1346
_Distance_constraint_stats_list.Viol_count 2743
_Distance_constraint_stats_list.Viol_total 3152.281
_Distance_constraint_stats_list.Viol_max 1.138
_Distance_constraint_stats_list.Viol_rms 0.0741
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0234
_Distance_constraint_stats_list.Viol_average_violations_only 0.1149
_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 1 MET 1.369 0.670 6 1 "[ .+ 1]"
1 2 ALA 2.511 0.152 3 0 "[ . 1]"
1 3 SER 0.175 0.111 5 0 "[ . 1]"
1 4 VAL 6.685 0.366 2 0 "[ . 1]"
1 5 SER 0.131 0.075 1 0 "[ . 1]"
1 6 GLU 0.327 0.111 5 0 "[ . 1]"
1 7 LEU 14.250 0.337 10 0 "[ . 1]"
1 8 ALA 0.079 0.047 4 0 "[ . 1]"
1 9 CYS 2.194 0.178 10 0 "[ . 1]"
1 10 ILE 7.183 0.245 9 0 "[ . 1]"
1 11 TYR 26.467 1.138 8 10 [*******+-*]
1 12 SER 1.396 0.150 1 0 "[ . 1]"
1 13 ALA 2.641 0.171 2 0 "[ . 1]"
1 14 LEU 22.281 1.138 8 10 [*******+-*]
1 15 ILE 7.874 0.821 4 1 "[ +. 1]"
1 16 LEU 5.055 0.173 1 0 "[ . 1]"
1 17 HIS 2.779 0.251 1 0 "[ . 1]"
1 18 ASP 0.169 0.059 1 0 "[ . 1]"
1 19 ASP 2.684 0.180 7 0 "[ . 1]"
1 20 GLU 1.811 0.235 10 0 "[ . 1]"
1 21 VAL 2.911 0.180 7 0 "[ . 1]"
1 22 THR 5.181 0.248 2 0 "[ . 1]"
1 23 VAL 3.501 0.145 5 0 "[ . 1]"
1 24 THR 1.893 0.110 2 0 "[ . 1]"
1 25 GLU 4.165 0.881 1 3 "[+ .*- 1]"
1 26 ASP 1.551 0.199 9 0 "[ . 1]"
1 27 LYS 3.014 0.196 1 0 "[ . 1]"
1 28 ILE 0.000 0.000 . 0 "[ . 1]"
1 29 ASN 2.849 0.881 1 3 "[+ .*- 1]"
1 30 ALA 0.125 0.032 7 0 "[ . 1]"
1 31 LEU 0.101 0.028 9 0 "[ . 1]"
1 32 ILE 0.383 0.140 3 0 "[ . 1]"
1 33 LYS 5.206 0.720 7 1 "[ . + 1]"
1 34 ALA 0.008 0.008 4 0 "[ . 1]"
1 35 ALA 0.330 0.127 3 0 "[ . 1]"
1 36 GLY 0.000 0.000 . 0 "[ . 1]"
1 37 VAL 12.074 0.821 4 1 "[ +. 1]"
1 38 ASN 2.274 0.151 10 0 "[ . 1]"
1 39 VAL 5.721 0.283 7 0 "[ . 1]"
1 40 GLU 6.534 0.669 4 2 "[ +.- 1]"
1 41 PRO 3.331 0.627 4 2 "[ +.- 1]"
1 42 PHE 3.001 0.669 4 2 "[ +.- 1]"
1 43 TRP 4.778 0.236 2 0 "[ . 1]"
1 44 PRO 0.447 0.140 3 0 "[ . 1]"
1 45 GLY 0.000 0.000 . 0 "[ . 1]"
1 46 LEU 1.987 0.172 6 0 "[ . 1]"
1 47 PHE 11.536 0.553 4 3 "[- +. * 1]"
1 48 ALA 2.166 0.236 6 0 "[ . 1]"
1 49 LYS 16.222 0.823 9 10 [*-******+*]
1 50 ALA 0.000 0.000 . 0 "[ . 1]"
1 51 LEU 12.693 0.553 4 3 "[- +. * 1]"
1 52 ALA 0.024 0.024 2 0 "[ . 1]"
1 53 ASN 0.054 0.021 5 0 "[ . 1]"
1 54 VAL 1.258 0.191 6 0 "[ . 1]"
1 55 ASN 3.205 0.472 6 0 "[ . 1]"
1 56 ILE 9.573 0.337 2 0 "[ . 1]"
1 57 GLY 0.257 0.136 7 0 "[ . 1]"
1 58 SER 4.218 0.472 6 0 "[ . 1]"
1 59 LEU 7.963 0.553 4 1 "[ +. 1]"
1 60 ILE 5.419 0.296 6 0 "[ . 1]"
1 61 CYS 3.952 0.232 2 0 "[ . 1]"
1 62 ASN 3.465 0.232 2 0 "[ . 1]"
1 63 VAL 0.971 0.223 1 0 "[ . 1]"
1 64 GLY 0.327 0.104 1 0 "[ . 1]"
1 65 ALA 0.064 0.032 8 0 "[ . 1]"
1 66 GLY 0.000 0.000 . 0 "[ . 1]"
1 67 GLY 0.000 0.000 . 0 "[ . 1]"
1 68 PRO 0.000 0.000 . 0 "[ . 1]"
2 2 MET 3.560 0.251 1 0 "[ . 1]"
2 3 ARG 0.000 0.000 . 0 "[ . 1]"
2 4 TYR 5.550 0.546 8 2 "[ . + -]"
2 5 VAL 4.977 0.743 10 1 "[ . +]"
2 6 ALA 2.062 0.196 10 0 "[ . 1]"
2 7 SER 0.476 0.081 4 0 "[ . 1]"
2 8 TYR 4.470 0.285 1 0 "[ . 1]"
2 9 LEU 6.113 0.474 7 0 "[ . 1]"
2 10 LEU 14.337 0.821 4 1 "[ +. 1]"
2 11 ALA 8.139 0.272 8 0 "[ . 1]"
2 12 ALA 4.464 0.244 9 0 "[ . 1]"
2 13 LEU 20.070 1.138 8 10 [*******+-*]
2 14 GLY 2.625 0.387 5 0 "[ . 1]"
2 15 GLY 1.714 0.223 6 0 "[ . 1]"
2 16 ASN 6.982 0.272 8 0 "[ . 1]"
2 17 SER 4.137 0.301 2 0 "[ . 1]"
2 18 SER 8.313 0.439 10 0 "[ . 1]"
2 19 PRO 8.535 0.494 4 0 "[ . 1]"
2 20 SER 5.018 0.517 1 2 "[+ - 1]"
2 21 ALA 3.381 0.180 3 0 "[ . 1]"
2 22 LYS 13.024 0.517 1 2 "[+ - 1]"
2 23 ASP 2.197 0.494 4 0 "[ . 1]"
2 24 ILE 0.132 0.038 6 0 "[ . 1]"
2 25 LYS 10.000 0.985 6 8 "[**-*.+* **]"
2 26 LYS 6.884 0.538 1 1 "[+ . 1]"
2 27 ILE 2.482 0.258 6 0 "[ . 1]"
2 28 LEU 0.045 0.035 6 0 "[ . 1]"
2 29 ASP 0.452 0.097 3 0 "[ . 1]"
2 30 SER 0.300 0.235 3 0 "[ . 1]"
2 31 VAL 2.033 0.173 1 0 "[ . 1]"
2 32 GLY 0.000 0.000 . 0 "[ . 1]"
2 33 ILE 0.783 0.113 8 0 "[ . 1]"
2 34 GLU 1.378 0.214 3 0 "[ . 1]"
2 35 ALA 2.371 0.798 6 1 "[ .+ 1]"
2 36 ASP 1.058 0.205 10 0 "[ . 1]"
2 37 ASP 1.655 0.174 5 0 "[ . 1]"
2 38 ASP 4.430 0.256 8 0 "[ . 1]"
2 39 ARG 4.412 0.205 10 0 "[ . 1]"
2 40 LEU 10.264 0.256 8 0 "[ . 1]"
2 41 ASN 2.627 0.264 3 0 "[ . 1]"
2 42 LYS 3.998 0.264 3 0 "[ . 1]"
2 43 VAL 5.992 0.546 8 2 "[ . + -]"
2 44 ILE 10.127 0.285 1 0 "[ . 1]"
2 45 SER 3.809 0.169 9 0 "[ . 1]"
2 46 GLU 0.848 0.257 4 0 "[ . 1]"
2 47 LEU 7.352 0.743 10 4 "[ - ** +]"
2 48 ASN 1.705 0.142 4 0 "[ . 1]"
2 49 GLY 0.206 0.075 9 0 "[ . 1]"
2 50 LYS 4.117 0.691 8 3 "[ - *+ 1]"
2 51 ASN 0.295 0.120 6 0 "[ . 1]"
2 52 ILE 6.004 0.177 9 0 "[ . 1]"
2 53 GLU 5.605 0.388 6 0 "[ . 1]"
2 54 ASP 3.722 0.670 6 1 "[ .+ 1]"
2 55 VAL 5.272 0.231 7 0 "[ . 1]"
2 56 ILE 4.390 0.158 8 0 "[ . 1]"
2 57 ALA 2.901 0.342 1 0 "[ . 1]"
2 58 GLN 2.051 0.207 10 0 "[ . 1]"
2 59 GLY 0.000 0.000 . 0 "[ . 1]"
2 60 ILE 11.877 0.296 6 0 "[ . 1]"
2 61 GLY 0.000 0.000 . 0 "[ . 1]"
2 62 LYS 9.409 0.773 6 3 "[ *+ -1]"
2 63 LEU 4.330 0.263 9 0 "[ . 1]"
2 64 ALA 3.004 0.184 1 0 "[ . 1]"
2 65 SER 2.370 0.249 5 0 "[ . 1]"
2 66 VAL 2.489 0.263 9 0 "[ . 1]"
2 67 PRO 7.286 0.274 9 0 "[ . 1]"
2 68 ALA 2.843 0.241 8 0 "[ . 1]"
2 69 GLY 0.237 0.122 4 0 "[ . 1]"
2 70 GLY 0.237 0.122 4 0 "[ . 1]"
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 ALA MB 1 3 SER H 2.651 . 2.906 2.562 2.044 2.924 0.018 10 0 "[ . 1]" 1
2 1 3 SER H 1 6 GLU QG 3.029 . 4.176 3.761 3.367 4.287 0.111 5 0 "[ . 1]" 1
3 1 4 VAL H 1 4 VAL MG2 . . 2.488 2.544 2.523 2.568 0.080 1 0 "[ . 1]" 1
4 1 4 VAL QG 1 5 SER H 2.774 . 3.142 3.113 3.019 3.176 0.034 4 0 "[ . 1]" 1
5 1 5 SER H 1 5 SER QB 2.758 . 3.709 2.534 2.364 2.685 . 0 0 "[ . 1]" 1
6 1 7 LEU H 1 7 LEU QB 2.512 . 3.301 2.032 1.990 2.066 . 0 0 "[ . 1]" 1
7 1 7 LEU QD 1 8 ALA H 3.300 . 5.000 4.132 4.090 4.184 . 0 0 "[ . 1]" 1
8 1 8 ALA H 1 8 ALA MB 2.273 . 2.583 2.263 2.234 2.281 . 0 0 "[ . 1]" 1
9 1 9 CYS H 1 39 VAL QG 2.607 . 3.456 2.556 2.434 2.652 . 0 0 "[ . 1]" 1
10 1 8 ALA MB 1 9 CYS H 2.684 . 3.037 2.645 2.540 2.700 . 0 0 "[ . 1]" 1
11 1 9 CYS H 1 9 CYS QB 2.755 . 3.704 2.220 2.199 2.238 . 0 0 "[ . 1]" 1
12 1 9 CYS QB 1 10 ILE H 2.267 . 2.910 2.403 2.329 2.484 . 0 0 "[ . 1]" 1
13 1 10 ILE MG 1 11 TYR H 2.484 . 3.207 3.022 2.953 3.079 . 0 0 "[ . 1]" 1
14 1 11 TYR H 1 14 LEU QD 2.819 . 3.813 3.533 3.426 3.608 . 0 0 "[ . 1]" 1
15 1 9 CYS QB 1 11 TYR H 3.255 . 4.579 4.734 4.695 4.757 0.178 10 0 "[ . 1]" 1
16 1 11 TYR H 1 11 TYR QB 2.895 . 3.712 2.467 2.441 2.510 . 0 0 "[ . 1]" 1
17 1 12 SER H 2 10 LEU QD 2.487 . 3.260 2.623 2.388 2.892 . 0 0 "[ . 1]" 1
18 1 12 SER H 1 13 ALA MB 3.097 . 4.296 4.349 4.317 4.379 0.083 3 0 "[ . 1]" 1
19 1 11 TYR QB 1 12 SER H 3.108 . 4.122 2.571 2.484 2.662 . 0 0 "[ . 1]" 1
20 1 11 TYR QD 1 12 SER H 3.232 . 4.538 4.366 4.305 4.430 . 0 0 "[ . 1]" 1
21 1 13 ALA H 1 14 LEU QD 3.300 . 5.000 3.481 3.396 3.641 . 0 0 "[ . 1]" 1
22 1 13 ALA H 1 13 ALA MB 2.167 . 2.754 2.211 2.199 2.221 . 0 0 "[ . 1]" 1
23 1 12 SER QB 1 13 ALA H 3.300 2.648 3.952 2.880 2.498 3.362 0.150 1 0 "[ . 1]" 1
24 1 14 LEU H 1 14 LEU QD 2.465 . 3.117 2.664 2.602 2.726 . 0 0 "[ . 1]" 1
25 1 13 ALA MB 1 14 LEU H 2.545 . 3.355 2.665 2.601 2.735 . 0 0 "[ . 1]" 1
26 1 15 ILE H 1 31 LEU QD 5.000 . 5.500 4.449 4.380 4.584 . 0 0 "[ . 1]" 1
27 1 14 LEU QB 1 15 ILE H 2.426 . 3.162 2.470 2.433 2.551 . 0 0 "[ . 1]" 1
28 1 16 LEU H 1 16 LEU QD 2.423 . 3.157 3.125 3.057 3.188 0.031 2 0 "[ . 1]" 1
29 1 13 ALA MB 1 16 LEU H 3.300 . 5.000 4.682 4.598 4.798 . 0 0 "[ . 1]" 1
30 1 16 LEU H 1 16 LEU QB 2.500 . 3.281 2.005 1.991 2.021 . 0 0 "[ . 1]" 1
31 1 16 LEU QD 1 17 HIS H 2.924 . 3.993 4.084 4.018 4.133 0.140 1 0 "[ . 1]" 1
32 1 16 LEU QB 1 17 HIS H 3.214 . 4.505 2.598 2.458 2.701 . 0 0 "[ . 1]" 1
33 1 17 HIS H 1 17 HIS QB 2.629 . 3.493 2.298 2.129 2.525 . 0 0 "[ . 1]" 1
34 1 18 ASP H 1 18 ASP QB 2.440 . 3.184 2.281 2.217 2.323 . 0 0 "[ . 1]" 1
35 1 17 HIS QB 1 18 ASP H 3.024 . 4.079 3.233 3.095 3.341 . 0 0 "[ . 1]" 1
36 1 19 ASP H 1 19 ASP QB 2.658 . 3.420 2.361 2.319 2.442 . 0 0 "[ . 1]" 1
37 1 20 GLU H 1 21 VAL MG1 3.099 . 4.299 3.582 3.387 3.757 . 0 0 "[ . 1]" 1
38 1 20 GLU H 1 20 GLU QG 2.291 . 2.928 2.635 2.454 2.820 . 0 0 "[ . 1]" 1
39 1 19 ASP QB 1 20 GLU H 3.110 . 3.777 3.203 3.122 3.330 . 0 0 "[ . 1]" 1
40 1 21 VAL H 1 21 VAL MG1 2.261 . 2.510 1.924 1.809 2.002 . 0 0 "[ . 1]" 1
41 1 21 VAL MG2 1 22 THR H 2.800 . 3.800 1.727 1.418 2.080 . 0 0 "[ . 1]" 1
42 1 22 THR H 1 22 THR MG 2.800 . 2.960 2.173 2.006 2.298 . 0 0 "[ . 1]" 1
43 1 23 VAL H 1 23 VAL QG . . 2.584 2.399 2.270 2.584 0.000 9 0 "[ . 1]" 1
44 1 23 VAL H 1 24 THR MG 3.300 . 5.000 3.645 3.436 3.821 . 0 0 "[ . 1]" 1
45 1 23 VAL QG 1 24 THR H 2.268 . 2.911 2.988 2.946 3.019 0.108 1 0 "[ . 1]" 1
46 1 24 THR H 1 24 THR MG 2.417 . 3.066 3.020 2.837 3.096 0.030 9 0 "[ . 1]" 1
47 1 24 THR H 1 27 LYS QB 2.535 . 3.338 2.025 1.843 2.182 . 0 0 "[ . 1]" 1
48 1 24 THR H 1 27 LYS QG 2.908 . 3.965 2.971 1.885 3.223 . 0 0 "[ . 1]" 1
49 1 23 VAL MG1 1 25 GLU H 5.000 . 5.500 4.042 3.810 4.245 . 0 0 "[ . 1]" 1
50 1 24 THR MG 1 25 GLU H 2.784 . 3.753 3.770 3.663 3.863 0.110 2 0 "[ . 1]" 1
51 1 25 GLU H 1 48 ALA MB 2.672 . 3.564 2.596 2.403 2.754 . 0 0 "[ . 1]" 1
52 1 25 GLU H 1 25 GLU QB 2.339 . 3.023 2.382 2.204 2.693 . 0 0 "[ . 1]" 1
53 1 24 THR MG 1 26 ASP H 3.315 . 4.689 4.391 4.135 4.540 . 0 0 "[ . 1]" 1
54 1 25 GLU QB 1 26 ASP H 2.362 . 3.060 2.795 2.433 3.259 0.199 9 0 "[ . 1]" 1
55 1 26 ASP H 1 29 ASN QB 3.300 . 5.000 4.516 4.356 4.662 . 0 0 "[ . 1]" 1
56 1 27 LYS H 1 28 ILE MD 5.000 . 5.500 4.866 4.583 5.094 . 0 0 "[ . 1]" 1
57 1 27 LYS H 2 31 VAL MG1 3.300 . 5.000 4.998 4.634 5.144 0.144 1 0 "[ . 1]" 1
58 1 27 LYS H 1 29 ASN QB 3.300 . 5.000 4.563 4.307 4.762 . 0 0 "[ . 1]" 1
59 1 28 ILE H 1 28 ILE MD 5.000 . 5.500 3.318 3.059 3.508 . 0 0 "[ . 1]" 1
60 1 27 LYS QB 1 28 ILE H 5.000 . 5.500 2.197 2.103 2.312 . 0 0 "[ . 1]" 1
61 1 28 ILE MD 1 29 ASN H 5.000 . 5.500 4.481 4.349 4.563 . 0 0 "[ . 1]" 1
62 1 29 ASN H 1 30 ALA MB 5.000 . 5.500 4.352 4.271 4.421 . 0 0 "[ . 1]" 1
63 1 29 ASN H 1 29 ASN QB 2.479 . 3.146 2.236 2.127 2.386 . 0 0 "[ . 1]" 1
64 1 25 GLU HA 1 29 ASN H 2.801 . 3.782 3.327 3.292 3.377 . 0 0 "[ . 1]" 1
65 1 29 ASN H 1 29 ASN QD 3.223 . 4.522 3.534 2.465 4.404 . 0 0 "[ . 1]" 1
66 1 30 ALA H 1 31 LEU MD2 5.000 . 5.500 3.916 3.848 3.984 . 0 0 "[ . 1]" 1
67 1 30 ALA H 2 31 VAL MG1 3.300 . 5.000 4.030 3.855 4.211 . 0 0 "[ . 1]" 1
68 1 27 LYS HB2 1 30 ALA H 5.000 . 5.500 4.144 4.039 4.259 . 0 0 "[ . 1]" 1
69 1 30 ALA H 1 31 LEU QB 5.000 . 5.500 4.654 4.565 4.730 . 0 0 "[ . 1]" 1
70 1 29 ASN QB 1 30 ALA H 5.000 . 5.500 2.694 2.429 2.980 . 0 0 "[ . 1]" 1
71 1 26 ASP HA 1 30 ALA H 5.000 . 5.500 3.298 3.250 3.344 . 0 0 "[ . 1]" 1
72 1 31 LEU H 1 31 LEU MD2 2.600 . 2.600 2.039 1.976 2.155 . 0 0 "[ . 1]" 1
73 1 30 ALA MB 1 31 LEU H 5.000 . 5.500 2.441 2.380 2.570 . 0 0 "[ . 1]" 1
74 1 33 LYS H 1 33 LYS QG 3.300 2.300 3.569 3.181 2.275 3.841 0.272 9 0 "[ . 1]" 1
75 1 34 ALA MB 1 35 ALA H 5.000 . 5.500 2.527 2.360 2.686 . 0 0 "[ . 1]" 1
76 1 36 GLY H 1 37 VAL MG1 2.751 . 3.697 3.423 3.363 3.489 . 0 0 "[ . 1]" 1
77 1 35 ALA MB 1 36 GLY H 5.000 . 5.500 2.650 2.583 2.756 . 0 0 "[ . 1]" 1
78 1 34 ALA MB 1 36 GLY H 5.000 . 5.500 4.413 4.293 4.540 . 0 0 "[ . 1]" 1
79 1 36 GLY H 1 36 GLY QA 2.246 . 2.746 2.278 2.270 2.297 . 0 0 "[ . 1]" 1
80 1 37 VAL H 1 37 VAL MG1 2.192 . 2.460 2.141 2.098 2.188 . 0 0 "[ . 1]" 1
81 1 35 ALA MB 1 37 VAL H 5.000 . 5.500 2.674 2.612 2.758 . 0 0 "[ . 1]" 1
82 1 36 GLY QA 1 37 VAL H 2.551 . 3.365 2.864 2.842 2.883 . 0 0 "[ . 1]" 1
83 1 37 VAL MG2 1 38 ASN H 2.322 . 2.656 2.724 2.696 2.775 0.119 5 0 "[ . 1]" 1
84 1 38 ASN H 1 38 ASN QB 2.247 . 2.856 2.315 2.262 2.344 . 0 0 "[ . 1]" 1
85 1 39 VAL H 1 39 VAL MG2 2.240 . 2.607 2.716 2.671 2.763 0.156 6 0 "[ . 1]" 1
86 1 38 ASN QB 1 39 VAL H 2.572 . 3.273 3.253 2.924 3.335 0.062 9 0 "[ . 1]" 1
87 1 39 VAL H 1 41 PRO QD 3.270 . 4.606 4.657 4.629 4.710 0.104 6 0 "[ . 1]" 1
88 1 39 VAL MG1 1 40 GLU H 3.300 . 5.000 2.003 1.912 2.106 . 0 0 "[ . 1]" 1
89 1 40 GLU H 1 40 GLU QG 3.300 . 5.000 3.637 2.534 3.926 . 0 0 "[ . 1]" 1
90 1 40 GLU H 1 41 PRO QD 3.224 . 4.523 4.076 3.997 4.108 . 0 0 "[ . 1]" 1
91 1 41 PRO QB 1 42 PHE H 2.992 . 4.111 2.783 2.738 2.856 . 0 0 "[ . 1]" 1
92 1 42 PHE H 1 42 PHE QB 2.798 . 3.773 2.198 2.187 2.210 . 0 0 "[ . 1]" 1
93 1 41 PRO QD 1 42 PHE H 3.351 . 4.755 2.955 2.751 3.039 . 0 0 "[ . 1]" 1
94 1 40 GLU QG 1 43 TRP H 3.300 . 5.000 3.561 3.127 5.046 0.046 4 0 "[ . 1]" 1
95 1 43 TRP H 1 43 TRP QB 2.691 . 3.596 2.246 2.228 2.262 . 0 0 "[ . 1]" 1
96 1 43 TRP H 1 44 PRO QD 2.833 . 3.836 2.387 2.367 2.422 . 0 0 "[ . 1]" 1
97 1 45 GLY H 1 45 GLY QA 2.546 . 3.356 2.208 2.204 2.211 . 0 0 "[ . 1]" 1
98 1 46 LEU H 1 46 LEU QD 3.300 . 3.714 3.678 3.654 3.697 . 0 0 "[ . 1]" 1
99 1 46 LEU H 1 47 PHE QB 3.403 . 4.851 4.351 4.301 4.386 . 0 0 "[ . 1]" 1
100 1 45 GLY QA 1 46 LEU H 2.712 . 3.631 2.529 2.504 2.569 . 0 0 "[ . 1]" 1
101 1 46 LEU QD 1 47 PHE H 3.073 . 4.253 3.849 3.736 3.959 . 0 0 "[ . 1]" 1
102 1 47 PHE H 1 47 PHE QD 2.881 . 3.918 2.719 2.525 2.839 . 0 0 "[ . 1]" 1
103 1 28 ILE MD 1 48 ALA H 3.000 . 3.300 2.865 2.720 2.980 . 0 0 "[ . 1]" 1
104 1 48 ALA H 1 48 ALA MB 2.275 . 2.922 2.247 2.206 2.265 . 0 0 "[ . 1]" 1
105 1 48 ALA H 1 49 LYS QB 3.015 . 4.151 4.239 4.157 4.296 0.145 9 0 "[ . 1]" 1
106 1 47 PHE QB 1 48 ALA H 2.991 . 3.874 2.587 2.522 2.642 . 0 0 "[ . 1]" 1
107 1 48 ALA MB 1 49 LYS H 2.337 . 3.019 2.628 2.589 2.703 . 0 0 "[ . 1]" 1
108 1 51 LEU H 1 51 LEU QD 2.450 . 3.165 2.969 2.013 3.124 . 0 0 "[ . 1]" 1
109 1 50 ALA MB 1 51 LEU H 2.546 . 3.356 2.657 2.323 2.848 . 0 0 "[ . 1]" 1
110 1 51 LEU H 1 51 LEU QB 2.320 . 2.993 2.276 2.196 2.392 . 0 0 "[ . 1]" 1
111 1 53 ASN H 1 54 VAL QG 3.162 . 4.412 3.188 3.080 3.286 . 0 0 "[ . 1]" 1
112 1 52 ALA MB 1 53 ASN H 5.000 . 5.500 3.158 2.844 3.425 . 0 0 "[ . 1]" 1
113 1 53 ASN H 1 53 ASN QB 2.500 . 3.000 2.662 2.536 3.009 0.009 2 0 "[ . 1]" 1
114 1 54 VAL H 1 54 VAL QG 2.322 . 2.697 1.969 1.919 2.029 . 0 0 "[ . 1]" 1
115 1 52 ALA MB 1 54 VAL H 5.000 . 5.500 4.759 4.436 4.968 . 0 0 "[ . 1]" 1
116 1 53 ASN QB 1 54 VAL H 3.013 . 4.148 2.622 2.346 3.604 . 0 0 "[ . 1]" 1
117 1 56 ILE MG 1 57 GLY H 2.476 . 3.243 2.419 2.353 2.495 . 0 0 "[ . 1]" 1
118 1 57 GLY H 1 57 GLY QA 2.279 . 2.928 2.211 2.204 2.217 . 0 0 "[ . 1]" 1
119 1 58 SER H 1 59 LEU QD 2.894 . 3.941 3.980 3.957 4.012 0.071 6 0 "[ . 1]" 1
120 1 58 SER H 1 58 SER QB 2.196 . 2.727 2.326 2.249 2.472 . 0 0 "[ . 1]" 1
121 1 59 LEU H 1 59 LEU QD 2.132 . 2.700 2.720 2.710 2.727 0.027 10 0 "[ . 1]" 1
122 1 60 ILE H 1 60 ILE MD 2.550 . 3.288 3.335 3.319 3.361 0.073 7 0 "[ . 1]" 1
123 1 60 ILE H 1 60 ILE QG 2.817 . 3.386 3.202 3.127 3.241 . 0 0 "[ . 1]" 1
124 1 60 ILE MG 1 61 CYS H 2.541 . 3.348 3.128 2.958 3.241 . 0 0 "[ . 1]" 1
125 1 61 CYS H 1 61 CYS QB 2.432 . 2.968 2.289 2.251 2.316 . 0 0 "[ . 1]" 1
126 1 62 ASN H 1 62 ASN QB 2.500 . 2.800 2.476 2.313 2.871 0.071 3 0 "[ . 1]" 1
127 1 63 VAL H 1 63 VAL QG 2.209 . 2.819 2.002 1.792 2.986 0.167 1 0 "[ . 1]" 1
128 1 62 ASN QB 1 63 VAL H 2.732 . 3.665 3.298 2.454 3.888 0.223 1 0 "[ . 1]" 1
129 1 63 VAL QG 1 64 GLY H 2.597 . 3.440 3.451 3.281 3.544 0.104 1 0 "[ . 1]" 1
130 1 64 GLY H 1 64 GLY QA 2.044 . 2.566 2.392 2.193 2.500 . 0 0 "[ . 1]" 1
131 1 65 ALA H 1 65 ALA MB 2.184 . 2.780 2.542 2.256 2.812 0.032 8 0 "[ . 1]" 1
132 1 65 ALA MB 1 66 GLY H 3.128 . 4.351 3.442 2.056 3.721 . 0 0 "[ . 1]" 1
133 1 66 GLY H 1 66 GLY QA 2.352 . 3.044 2.364 2.190 2.502 . 0 0 "[ . 1]" 1
134 1 67 GLY H 1 67 GLY QA 2.313 . 2.982 2.402 2.193 2.502 . 0 0 "[ . 1]" 1
135 1 39 VAL MG1 1 43 TRP HE1 3.412 . 4.867 4.442 4.334 4.518 . 0 0 "[ . 1]" 1
136 1 40 GLU QB 1 43 TRP HE1 3.087 . 4.278 3.178 3.114 3.227 . 0 0 "[ . 1]" 1
137 1 40 GLU QG 1 43 TRP HE1 3.203 . 3.838 3.868 3.806 3.945 0.107 6 0 "[ . 1]" 1
138 1 5 SER QB 1 43 TRP HE1 3.623 . 5.264 4.908 4.453 5.339 0.075 1 0 "[ . 1]" 1
139 1 42 PHE QE 1 43 TRP HE1 3.228 . 4.531 3.243 3.180 3.393 . 0 0 "[ . 1]" 1
140 2 5 VAL QG 2 6 ALA H 2.716 . 3.301 2.981 1.868 3.146 . 0 0 "[ . 1]" 1
141 2 6 ALA H 2 6 ALA MB 2.696 . 2.927 2.193 2.163 2.214 . 0 0 "[ . 1]" 1
142 2 6 ALA MB 2 7 SER H 2.995 . 3.566 2.553 2.471 2.742 . 0 0 "[ . 1]" 1
143 2 5 VAL MG2 2 7 SER H 5.000 . 5.500 3.513 3.262 3.578 . 0 0 "[ . 1]" 1
144 2 8 TYR H 2 24 ILE MD 3.300 . 5.000 2.529 2.488 2.591 . 0 0 "[ . 1]" 1
145 2 8 TYR H 2 8 TYR QB 2.790 . 3.593 2.164 2.141 2.177 . 0 0 "[ . 1]" 1
146 2 8 TYR H 2 8 TYR QD 2.978 . 4.087 4.131 4.119 4.141 0.054 7 0 "[ . 1]" 1
147 2 8 TYR H 2 47 LEU QD 3.566 . 5.155 4.446 3.774 5.100 . 0 0 "[ . 1]" 1
148 2 6 ALA MB 2 9 LEU H 3.297 . 4.656 4.070 4.009 4.118 . 0 0 "[ . 1]" 1
149 2 9 LEU H 2 9 LEU MD1 2.502 . 2.930 2.177 2.086 2.336 . 0 0 "[ . 1]" 1
150 2 11 ALA H 2 11 ALA MB . . 2.319 2.230 2.194 2.260 . 0 0 "[ . 1]" 1
151 1 37 VAL MG1 2 12 ALA H 3.300 . 5.000 4.828 4.761 4.864 . 0 0 "[ . 1]" 1
152 2 12 ALA H 2 12 ALA MB 2.113 . 2.241 2.211 2.186 2.233 . 0 0 "[ . 1]" 1
153 1 37 VAL QG 2 13 LEU H 2.861 . 3.884 3.630 3.588 3.675 . 0 0 "[ . 1]" 1
154 2 13 LEU H 2 13 LEU QD 2.610 . 3.371 2.929 2.603 3.333 . 0 0 "[ . 1]" 1
155 2 14 GLY H 2 14 GLY QA 2.420 . 3.037 2.242 2.184 2.456 . 0 0 "[ . 1]" 1
156 2 13 LEU QB 2 14 GLY H 2.913 . 3.974 2.700 2.660 2.760 . 0 0 "[ . 1]" 1
157 1 35 ALA MB 2 14 GLY H 5.000 . 5.500 3.213 2.911 3.696 . 0 0 "[ . 1]" 1
158 2 13 LEU QD 2 14 GLY H 3.300 . 5.000 4.056 3.975 4.183 . 0 0 "[ . 1]" 1
159 1 37 VAL QG 2 14 GLY H 2.500 . 3.281 2.848 2.758 2.959 . 0 0 "[ . 1]" 1
160 2 15 GLY H 2 15 GLY QA 2.360 . 2.963 2.451 2.385 2.498 . 0 0 "[ . 1]" 1
161 2 14 GLY QA 2 15 GLY H 2.743 . 3.683 2.758 2.584 2.850 . 0 0 "[ . 1]" 1
162 2 12 ALA H 2 15 GLY H 2.938 . 4.017 3.818 3.616 4.035 0.018 3 0 "[ . 1]" 1
163 2 12 ALA MB 2 15 GLY H 3.300 . 5.000 4.780 4.520 4.993 . 0 0 "[ . 1]" 1
164 1 37 VAL QG 2 15 GLY H 3.300 . 5.000 4.476 4.352 4.627 . 0 0 "[ . 1]" 1
165 2 15 GLY H 2 16 ASN QB 3.100 . 4.301 4.037 3.713 4.417 0.116 3 0 "[ . 1]" 1
166 2 15 GLY QA 2 16 ASN H 2.729 . 3.660 2.903 2.653 2.977 . 0 0 "[ . 1]" 1
167 2 16 ASN H 2 16 ASN QB 2.519 . 3.272 2.540 2.431 2.727 . 0 0 "[ . 1]" 1
168 2 12 ALA H 2 16 ASN H 2.825 . 3.823 4.025 3.976 4.067 0.244 9 0 "[ . 1]" 1
169 2 16 ASN H 2 16 ASN QD 3.220 . 4.516 4.497 4.080 4.617 0.101 6 0 "[ . 1]" 1
170 2 12 ALA MB 2 16 ASN H 3.300 . 5.000 4.333 4.186 4.426 . 0 0 "[ . 1]" 1
171 2 12 ALA MB 2 17 SER H 3.333 . 4.722 4.439 4.268 4.586 . 0 0 "[ . 1]" 1
172 2 16 ASN QB 2 17 SER H 2.926 . 3.724 3.854 3.559 3.969 0.245 4 0 "[ . 1]" 1
173 2 17 SER H 2 17 SER QB 2.370 . 3.072 2.696 2.552 2.835 . 0 0 "[ . 1]" 1
174 2 17 SER H 2 18 SER QB 3.152 . 4.153 4.170 4.121 4.194 0.041 3 0 "[ . 1]" 1
175 2 18 SER H 2 18 SER QB 2.359 . 2.944 2.912 2.868 2.956 0.012 6 0 "[ . 1]" 1
176 2 12 ALA MB 2 18 SER H 2.962 . 3.304 3.424 3.344 3.479 0.175 5 0 "[ . 1]" 1
177 2 16 ASN QD 2 18 SER H 3.307 . 4.674 3.853 2.581 4.946 0.272 2 0 "[ . 1]" 1
178 2 18 SER H 2 19 PRO QG 3.300 . 5.000 3.201 3.113 3.290 . 0 0 "[ . 1]" 1
179 2 18 SER H 2 52 ILE MD 3.322 . 4.702 4.787 4.722 4.859 0.157 1 0 "[ . 1]" 1
180 2 20 SER H 2 20 SER QB 2.330 . 3.008 2.917 2.692 3.052 0.044 9 0 "[ . 1]" 1
181 2 19 PRO QB 2 20 SER H 2.894 . 3.808 2.883 2.711 3.028 . 0 0 "[ . 1]" 1
182 2 20 SER H 2 24 ILE MD 5.000 . 5.500 3.528 3.321 3.748 . 0 0 "[ . 1]" 1
183 2 21 ALA H 2 44 ILE MD 2.448 . 3.197 3.049 2.616 3.354 0.157 6 0 "[ . 1]" 1
184 2 21 ALA H 2 21 ALA MB 2.166 . 2.404 2.230 2.218 2.253 . 0 0 "[ . 1]" 1
185 2 21 ALA H 2 44 ILE MG 2.924 . 3.266 3.327 3.252 3.446 0.180 3 0 "[ . 1]" 1
186 2 21 ALA MB 2 22 LYS H 2.193 . 2.729 2.471 2.311 2.581 . 0 0 "[ . 1]" 1
187 2 22 LYS H 2 22 LYS QE 2.901 . 3.953 3.940 3.815 4.035 0.082 10 0 "[ . 1]" 1
188 2 20 SER QB 2 22 LYS H 2.608 . 3.458 3.110 2.805 3.247 . 0 0 "[ . 1]" 1
189 2 22 LYS HB2 2 24 ILE H 3.300 . 5.000 3.934 3.842 3.981 . 0 0 "[ . 1]" 1
190 2 20 SER H 2 24 ILE H 3.300 . 5.000 3.721 3.474 3.825 . 0 0 "[ . 1]" 1
191 2 24 ILE H 2 24 ILE MG 3.300 . 5.000 3.763 3.745 3.777 . 0 0 "[ . 1]" 1
192 2 24 ILE MG 2 25 LYS H 3.300 . 5.000 3.540 3.449 3.706 . 0 0 "[ . 1]" 1
193 2 25 LYS H 2 40 LEU MD2 2.600 . 3.445 2.899 2.590 3.027 . 0 0 "[ . 1]" 1
194 2 25 LYS H 2 25 LYS QG 3.300 . 5.000 2.557 2.208 4.023 . 0 0 "[ . 1]" 1
195 2 25 LYS H 2 25 LYS QB 2.458 . 3.191 2.327 2.135 2.436 . 0 0 "[ . 1]" 1
196 2 25 LYS H 2 25 LYS QE 3.300 . 5.000 4.939 3.908 5.087 0.087 8 0 "[ . 1]" 1
197 2 26 LYS H 2 26 LYS QG 3.300 . 3.716 3.058 2.255 3.905 0.189 10 0 "[ . 1]" 1
198 2 22 LYS HA 2 26 LYS H 2.733 . 3.667 3.341 3.293 3.413 . 0 0 "[ . 1]" 1
199 2 26 LYS H 2 27 ILE MD 3.300 . 5.000 4.132 3.895 4.289 . 0 0 "[ . 1]" 1
200 2 26 LYS H 2 26 LYS QD 2.431 . 3.169 3.356 3.238 3.498 0.329 1 0 "[ . 1]" 1
201 2 26 LYS QG 2 27 ILE H 3.300 . 5.000 3.719 3.225 4.051 . 0 0 "[ . 1]" 1
202 2 27 ILE H 2 28 LEU QD 3.300 . 5.000 4.431 4.348 4.517 . 0 0 "[ . 1]" 1
203 2 27 ILE H 2 27 ILE MD 1.900 . 2.200 2.208 2.154 2.232 0.032 2 0 "[ . 1]" 1
204 2 28 LEU H 2 28 LEU QD 3.300 . 5.000 2.831 2.720 2.894 . 0 0 "[ . 1]" 1
205 2 27 ILE MD 2 28 LEU H 3.300 . 5.000 2.806 2.568 3.027 . 0 0 "[ . 1]" 1
206 2 29 ASP H 2 29 ASP QB 2.427 . 2.993 2.265 2.154 2.298 . 0 0 "[ . 1]" 1
207 2 28 LEU QD 2 29 ASP H 3.300 . 5.000 2.264 1.981 2.354 . 0 0 "[ . 1]" 1
208 2 25 LYS QD 2 29 ASP H 3.300 . 5.000 4.719 4.130 5.078 0.078 10 0 "[ . 1]" 1
209 2 28 LEU QB 2 29 ASP H 3.300 . 5.000 3.586 3.410 3.682 . 0 0 "[ . 1]" 1
210 2 29 ASP QB 2 30 SER H 2.927 . 3.783 2.808 2.633 2.998 . 0 0 "[ . 1]" 1
211 1 31 LEU MD1 2 30 SER H 3.300 . 5.000 3.568 3.516 3.661 . 0 0 "[ . 1]" 1
212 1 34 ALA MB 2 30 SER H 5.000 . 5.500 3.681 3.456 3.922 . 0 0 "[ . 1]" 1
213 2 30 SER H 2 31 VAL MG2 3.300 . 5.000 3.927 3.826 4.034 . 0 0 "[ . 1]" 1
214 2 32 GLY H 2 32 GLY QA 2.124 . 2.688 2.257 2.204 2.369 . 0 0 "[ . 1]" 1
215 2 33 ILE H 2 33 ILE MG 3.300 . 5.000 3.738 3.641 3.789 . 0 0 "[ . 1]" 1
216 2 34 GLU H 2 34 GLU QG 2.633 . 2.706 2.472 2.265 2.739 0.033 3 0 "[ . 1]" 1
217 2 34 GLU H 2 35 ALA MB 3.300 . 5.000 4.894 4.801 4.993 . 0 0 "[ . 1]" 1
218 2 33 ILE MG 2 34 GLU H 3.300 . 5.000 2.586 2.373 2.920 . 0 0 "[ . 1]" 1
219 2 34 GLU QG 2 35 ALA H 2.866 . 3.893 3.963 3.892 4.107 0.214 3 0 "[ . 1]" 1
220 2 34 GLU QB 2 35 ALA H 2.380 . 3.088 2.929 2.477 3.127 0.039 8 0 "[ . 1]" 1
221 2 35 ALA H 2 35 ALA MB 2.378 . 2.551 2.566 2.509 2.643 0.092 3 0 "[ . 1]" 1
222 2 28 LEU MD1 2 35 ALA H 3.300 . 5.000 3.525 3.271 3.806 . 0 0 "[ . 1]" 1
223 2 36 ASP H 2 36 ASP QB 2.787 . 3.221 2.421 2.311 2.526 . 0 0 "[ . 1]" 1
224 2 4 TYR QE 2 36 ASP H 2.987 . 4.102 3.444 3.242 3.745 . 0 0 "[ . 1]" 1
225 2 37 ASP H 2 40 LEU MD1 2.989 . 4.106 3.925 3.775 4.020 . 0 0 "[ . 1]" 1
226 2 37 ASP H 2 37 ASP QB 2.147 . 2.723 2.440 2.228 2.664 . 0 0 "[ . 1]" 1
227 2 36 ASP QB 2 37 ASP H 2.776 . 3.739 3.043 2.859 3.629 . 0 0 "[ . 1]" 1
228 2 38 ASP H 2 38 ASP QB 2.059 . 2.588 2.460 2.290 2.621 0.033 9 0 "[ . 1]" 1
229 2 38 ASP QB 2 39 ARG H 2.448 . 2.972 2.845 2.735 2.929 . 0 0 "[ . 1]" 1
230 2 40 LEU H 2 40 LEU QB 2.430 . 3.168 2.942 2.896 2.970 . 0 0 "[ . 1]" 1
231 2 40 LEU H 2 40 LEU MD1 2.298 . 2.958 2.163 2.039 2.269 . 0 0 "[ . 1]" 1
232 2 36 ASP QB 2 40 LEU H 3.067 . 4.243 4.003 3.859 4.147 . 0 0 "[ . 1]" 1
233 2 41 ASN H 2 41 ASN QB 2.466 . 3.090 2.258 2.241 2.270 . 0 0 "[ . 1]" 1
234 2 41 ASN H 2 42 LYS QB 3.001 . 4.127 4.191 4.080 4.391 0.264 3 0 "[ . 1]" 1
235 2 40 LEU MD1 2 41 ASN H 2.522 . 3.317 1.881 1.736 2.120 . 0 0 "[ . 1]" 1
236 2 40 LEU QB 2 41 ASN H 2.691 . 3.596 3.339 3.201 3.499 . 0 0 "[ . 1]" 1
237 2 41 ASN QB 2 42 LYS H 2.664 . 3.077 2.830 2.710 2.901 . 0 0 "[ . 1]" 1
238 2 42 LYS H 2 43 VAL MG1 2.712 . 3.631 3.789 3.702 3.886 0.255 2 0 "[ . 1]" 1
239 2 42 LYS H 2 42 LYS QB 2.050 . 2.575 2.211 2.075 2.459 . 0 0 "[ . 1]" 1
240 2 43 VAL H 2 43 VAL MG1 2.376 . 2.384 2.264 2.211 2.339 . 0 0 "[ . 1]" 1
241 2 44 ILE H 2 44 ILE QG 2.672 . 3.565 2.118 2.068 2.244 . 0 0 "[ . 1]" 1
242 2 44 ILE H 2 44 ILE MG 2.846 2.036 3.656 3.710 3.606 3.779 0.123 6 0 "[ . 1]" 1
243 2 44 ILE H 2 44 ILE MD 2.401 . 2.676 2.802 2.714 2.925 0.249 10 0 "[ . 1]" 1
244 2 45 SER H 2 45 SER QB 2.155 . 2.479 2.390 2.236 2.558 0.079 7 0 "[ . 1]" 1
245 2 44 ILE MD 2 45 SER H 3.286 2.316 4.256 4.285 4.185 4.346 0.090 7 0 "[ . 1]" 1
246 2 44 ILE MG 2 45 SER H 2.640 . 2.774 2.890 2.817 2.943 0.169 9 0 "[ . 1]" 1
247 2 42 LYS QG 2 45 SER H 3.300 . 5.000 5.057 4.855 5.156 0.156 9 0 "[ . 1]" 1
248 2 46 GLU QB 2 47 LEU H 2.992 . 4.111 2.678 2.266 2.967 . 0 0 "[ . 1]" 1
249 2 47 LEU H 2 47 LEU QB 2.892 . 3.937 2.369 2.037 2.677 . 0 0 "[ . 1]" 1
250 2 47 LEU H 2 47 LEU QD . . 2.861 2.515 2.246 2.692 . 0 0 "[ . 1]" 1
251 2 48 ASN H 2 48 ASN QB 2.545 . 3.026 2.233 2.205 2.252 . 0 0 "[ . 1]" 1
252 2 50 LYS H 2 50 LYS QE 2.878 . 3.914 3.501 2.903 3.956 0.042 3 0 "[ . 1]" 1
253 2 50 LYS H 2 50 LYS QG 3.300 . 5.000 4.206 4.021 4.348 . 0 0 "[ . 1]" 1
254 2 50 LYS H 2 50 LYS QB 2.323 . 2.997 2.468 2.248 2.672 . 0 0 "[ . 1]" 1
255 2 50 LYS QG 2 51 ASN H 3.224 . 4.523 2.491 2.140 2.923 . 0 0 "[ . 1]" 1
256 2 51 ASN H 2 54 ASP H 3.090 . 4.284 4.262 4.130 4.404 0.120 6 0 "[ . 1]" 1
257 2 50 LYS QB 2 51 ASN H 2.828 . 3.828 2.748 2.305 3.170 . 0 0 "[ . 1]" 1
258 2 51 ASN H 2 51 ASN QB 2.705 . 3.037 2.465 2.355 2.647 . 0 0 "[ . 1]" 1
259 2 53 GLU QG 2 54 ASP H 3.019 . 4.158 4.222 4.099 4.330 0.172 2 0 "[ . 1]" 1
260 2 53 GLU QB 2 54 ASP H 2.692 . 3.096 2.590 2.453 2.729 . 0 0 "[ . 1]" 1
261 2 52 ILE MG 2 54 ASP H 2.920 . 3.986 3.649 3.472 3.851 . 0 0 "[ . 1]" 1
262 2 54 ASP H 2 54 ASP QB 2.547 . 2.845 2.291 2.166 2.524 . 0 0 "[ . 1]" 1
263 2 55 VAL H 2 55 VAL MG2 . . 2.372 1.988 1.887 2.045 . 0 0 "[ . 1]" 1
264 2 58 GLN H 2 58 GLN QG 2.834 . 3.004 3.041 2.990 3.104 0.100 10 0 "[ . 1]" 1
265 2 58 GLN H 2 58 GLN QB 2.499 . 2.869 2.670 2.550 2.715 . 0 0 "[ . 1]" 1
266 2 57 ALA MB 2 58 GLN H 2.720 . 3.645 3.221 2.987 3.328 . 0 0 "[ . 1]" 1
267 2 58 GLN QB 2 59 GLY H 2.928 . 3.999 3.289 2.473 3.773 . 0 0 "[ . 1]" 1
268 2 57 ALA MB 2 59 GLY H 3.383 . 4.814 4.578 4.492 4.741 . 0 0 "[ . 1]" 1
269 2 60 ILE MG 2 61 GLY H 3.054 . 4.220 3.616 3.390 3.757 . 0 0 "[ . 1]" 1
270 2 62 LYS H 2 62 LYS QG 2.424 . 3.158 2.997 1.921 3.453 0.295 4 0 "[ . 1]" 1
271 2 62 LYS H 2 62 LYS QB 2.283 . 2.935 2.570 2.202 3.173 0.238 8 0 "[ . 1]" 1
272 2 63 LEU H 2 63 LEU MD1 2.500 . 2.800 1.874 1.590 2.147 . 0 0 "[ . 1]" 1
273 2 63 LEU H 2 63 LEU QB 2.300 . 2.600 2.528 2.294 2.835 0.235 5 0 "[ . 1]" 1
274 2 63 LEU QB 2 64 ALA H 2.392 . 3.107 2.707 1.589 3.291 0.184 1 0 "[ . 1]" 1
275 2 63 LEU QB 2 65 SER H 3.300 . 5.000 4.618 4.066 5.042 0.042 10 0 "[ . 1]" 1
276 2 65 SER H 2 65 SER QB 2.613 . 3.466 2.910 2.312 3.371 . 0 0 "[ . 1]" 1
277 2 66 VAL H 2 66 VAL QG 2.247 . 2.554 2.194 1.917 2.588 0.034 9 0 "[ . 1]" 1
278 2 65 SER QB 2 66 VAL H 2.567 . 3.391 3.035 2.215 3.571 0.180 2 0 "[ . 1]" 1
279 2 67 PRO QB 2 68 ALA H 2.581 . 3.345 3.450 3.395 3.501 0.156 3 0 "[ . 1]" 1
280 2 68 ALA H 2 68 ALA MB 1.986 . 2.479 2.382 2.237 2.720 0.241 8 0 "[ . 1]" 1
281 2 69 GLY QA 2 70 GLY H 2.168 . 2.756 2.471 2.145 2.878 0.122 4 0 "[ . 1]" 1
282 2 70 GLY H 2 70 GLY QA 2.143 . 2.717 2.389 2.211 2.501 . 0 0 "[ . 1]" 1
283 1 1 MET HA 1 1 MET QB 1.935 . 2.403 2.386 2.339 2.451 0.048 6 0 "[ . 1]" 1
284 1 1 MET QB 1 1 MET HG2 1.944 . 2.416 2.202 2.010 2.274 . 0 0 "[ . 1]" 1
285 1 1 MET QG 1 7 LEU MD2 3.300 . 5.000 3.835 3.340 4.458 . 0 0 "[ . 1]" 1
286 1 1 MET HA 1 1 MET QG 2.223 . 2.841 2.470 2.352 2.767 . 0 0 "[ . 1]" 1
287 1 2 ALA HA 1 2 ALA MB 1.903 . 1.971 2.113 2.099 2.123 0.152 3 0 "[ . 1]" 1
288 1 2 ALA MB 1 7 LEU HB2 1.999 . 2.497 2.549 2.510 2.580 0.083 9 0 "[ . 1]" 1
289 1 2 ALA MB 1 7 LEU MD1 1.853 . 2.282 1.701 1.676 1.789 0.072 9 0 "[ . 1]" 1
290 1 3 SER HA 1 3 SER QB 2.137 . 2.430 2.273 2.188 2.323 . 0 0 "[ . 1]" 1
291 1 4 VAL HA 1 7 LEU MD2 2.322 . 2.996 3.081 3.060 3.098 0.102 5 0 "[ . 1]" 1
292 1 4 VAL HA 1 4 VAL QG 2.051 . 2.341 2.039 2.019 2.057 . 0 0 "[ . 1]" 1
293 1 4 VAL HA 1 7 LEU QB 2.509 . 3.296 2.368 2.291 2.436 . 0 0 "[ . 1]" 1
294 1 4 VAL HB 1 4 VAL QG 2.014 . 2.083 1.893 1.890 1.897 . 0 0 "[ . 1]" 1
295 1 4 VAL QG 2 13 LEU HA 2.532 . 3.333 2.909 2.748 3.023 . 0 0 "[ . 1]" 1
296 1 4 VAL QG 1 7 LEU HB2 2.800 . 3.232 3.350 3.305 3.393 0.161 10 0 "[ . 1]" 1
297 1 6 GLU HA 1 9 CYS QB 2.626 . 3.488 2.996 2.944 3.040 . 0 0 "[ . 1]" 1
298 1 6 GLU HA 1 6 GLU QG 2.388 . 3.101 2.527 2.451 2.579 . 0 0 "[ . 1]" 1
299 1 7 LEU HA 1 7 LEU QB 2.245 . 2.875 2.507 2.495 2.523 . 0 0 "[ . 1]" 1
300 1 7 LEU HA 1 7 LEU MD1 2.025 . 2.524 2.040 1.983 2.069 . 0 0 "[ . 1]" 1
301 1 7 LEU HA 1 9 CYS QB 3.300 . 5.000 4.970 4.902 5.009 0.009 10 0 "[ . 1]" 1
302 1 7 LEU QB 1 7 LEU MD2 2.290 . 2.659 1.953 1.920 2.014 . 0 0 "[ . 1]" 1
303 1 7 LEU MD2 1 11 TYR HE2 2.516 . 3.307 2.516 2.253 2.710 . 0 0 "[ . 1]" 1
304 1 1 MET ME 1 7 LEU MD2 3.300 . 5.000 2.525 2.263 3.226 . 0 0 "[ . 1]" 1
305 1 8 ALA HA 2 10 LEU QD 2.498 . 2.997 2.476 2.324 3.044 0.047 4 0 "[ . 1]" 1
306 1 7 LEU QB 1 8 ALA HA 3.300 . 5.000 3.940 3.916 3.969 . 0 0 "[ . 1]" 1
307 1 8 ALA HA 1 8 ALA MB 2.233 . 2.467 2.124 2.122 2.127 . 0 0 "[ . 1]" 1
308 1 8 ALA MB 1 37 VAL MG2 1.702 . 2.064 1.738 1.661 1.780 . 0 0 "[ . 1]" 1
309 1 5 SER HA 1 8 ALA MB 2.370 . 3.045 2.683 2.512 2.845 . 0 0 "[ . 1]" 1
310 1 9 CYS HA 1 9 CYS QB 2.607 . 3.268 2.446 2.439 2.458 . 0 0 "[ . 1]" 1
311 1 9 CYS HA 1 12 SER QB 3.951 2.863 4.566 3.142 2.807 3.618 0.056 4 0 "[ . 1]" 1
312 1 10 ILE HA 1 47 PHE QE 2.765 . 3.720 2.045 1.756 2.286 0.054 1 0 "[ . 1]" 1
313 1 10 ILE HA 1 13 ALA MB 2.389 . 3.102 2.975 2.894 3.113 0.011 6 0 "[ . 1]" 1
314 1 10 ILE HB 1 10 ILE MD 2.029 . 2.313 2.319 2.298 2.352 0.039 1 0 "[ . 1]" 1
315 1 10 ILE MD 1 47 PHE QE 3.300 . 5.000 4.659 4.490 4.801 . 0 0 "[ . 1]" 1
316 1 10 ILE HA 1 10 ILE MD 3.300 . 5.000 3.822 3.799 3.836 . 0 0 "[ . 1]" 1
317 1 10 ILE MD 1 10 ILE QG 1.873 . 2.311 1.881 1.874 1.885 . 0 0 "[ . 1]" 1
318 1 7 LEU HG 1 10 ILE MD 2.001 . 2.501 2.717 2.695 2.746 0.245 9 0 "[ . 1]" 1
319 1 10 ILE MG 2 60 ILE HA 2.730 . 3.578 3.001 2.936 3.060 . 0 0 "[ . 1]" 1
320 1 10 ILE MG 2 60 ILE HG13 2.269 . 2.913 2.031 1.935 2.117 . 0 0 "[ . 1]" 1
321 1 10 ILE QG 1 10 ILE MG 2.105 . 2.659 2.326 2.303 2.354 . 0 0 "[ . 1]" 1
322 1 10 ILE MG 1 11 TYR HA 2.681 . 3.569 2.997 2.924 3.066 . 0 0 "[ . 1]" 1
323 1 10 ILE HA 1 10 ILE MG 2.038 . 2.557 2.464 2.440 2.515 . 0 0 "[ . 1]" 1
324 1 10 ILE HB 1 10 ILE MG 1.905 . 2.358 2.110 2.104 2.117 . 0 0 "[ . 1]" 1
325 1 10 ILE MG 1 11 TYR HD1 2.501 . 3.278 2.813 2.649 2.941 . 0 0 "[ . 1]" 1
326 1 11 TYR HA 2 6 ALA MB 2.623 . 3.023 2.769 2.661 2.893 . 0 0 "[ . 1]" 1
327 1 11 TYR HA 1 14 LEU QD 2.545 . 3.355 2.019 1.856 2.152 . 0 0 "[ . 1]" 1
328 1 11 TYR QB 2 10 LEU QD 2.780 . 3.641 1.596 1.420 2.191 0.482 7 0 "[ . 1]" 1
329 1 11 TYR QB 1 11 TYR HD1 2.799 . 3.576 2.674 2.671 2.679 . 0 0 "[ . 1]" 1
330 1 11 TYR QB 2 6 ALA MB 2.975 . 3.170 2.819 2.659 2.972 . 0 0 "[ . 1]" 1
331 1 14 LEU HA 1 17 HIS QB 2.654 . 3.270 2.594 2.269 2.884 . 0 0 "[ . 1]" 1
332 1 14 LEU HA 1 14 LEU QD 1.969 . 2.442 1.608 1.572 1.656 0.015 6 0 "[ . 1]" 1
333 1 14 LEU HA 1 56 ILE QG 3.300 . 5.000 3.101 2.996 3.161 . 0 0 "[ . 1]" 1
334 1 14 LEU HA 2 2 MET ME 2.493 . 2.616 2.675 2.590 2.823 0.207 2 0 "[ . 1]" 1
335 1 14 LEU QD 2 2 MET QG 2.583 . 3.417 2.633 1.937 3.464 0.047 8 0 "[ . 1]" 1
336 1 14 LEU HG 1 56 ILE QG 3.300 . 3.557 3.711 3.656 3.757 0.200 2 0 "[ . 1]" 1
337 1 14 LEU QB 1 14 LEU HG 2.115 . 2.642 2.119 2.114 2.128 . 0 0 "[ . 1]" 1
338 1 14 LEU HG 2 2 MET ME 2.146 . 2.676 2.755 2.729 2.798 0.122 6 0 "[ . 1]" 1
339 1 14 LEU QB 1 15 ILE HA 3.300 . 5.000 3.776 3.727 3.829 . 0 0 "[ . 1]" 1
340 1 15 ILE HA 1 15 ILE MG 2.382 . 2.922 2.078 2.061 2.107 . 0 0 "[ . 1]" 1
341 1 15 ILE HB 1 15 ILE MG 2.271 . 2.378 2.119 2.115 2.121 . 0 0 "[ . 1]" 1
342 1 15 ILE MD 2 7 SER HA 1.891 . 2.338 1.973 1.894 2.039 . 0 0 "[ . 1]" 1
343 1 15 ILE MD 2 7 SER QB 3.300 2.590 4.010 3.084 2.874 3.238 . 0 0 "[ . 1]" 1
344 1 15 ILE HA 1 15 ILE MD 2.679 . 3.096 3.036 2.882 3.131 0.035 10 0 "[ . 1]" 1
345 1 15 ILE MD 2 6 ALA MB 2.083 . 2.601 1.970 1.812 2.095 . 0 0 "[ . 1]" 1
346 1 15 ILE MG 2 7 SER QB 3.300 2.659 3.941 3.028 2.902 3.163 . 0 0 "[ . 1]" 1
347 1 15 ILE MG 1 18 ASP QB 2.602 . 3.448 3.113 2.901 3.383 . 0 0 "[ . 1]" 1
348 1 15 ILE MG 2 27 ILE HG12 3.300 . 5.000 3.949 3.791 4.076 . 0 0 "[ . 1]" 1
349 1 15 ILE MG 2 7 SER HA 2.406 . 3.130 3.177 3.123 3.211 0.081 4 0 "[ . 1]" 1
350 1 15 ILE MG 2 6 ALA MB 2.361 . 3.058 2.906 2.803 2.982 . 0 0 "[ . 1]" 1
351 1 16 LEU HA 1 16 LEU MD1 2.063 . 2.440 1.758 1.731 1.815 0.071 4 0 "[ . 1]" 1
352 1 16 LEU MD2 1 27 LYS QB 1.971 . 2.457 2.343 2.074 2.499 0.042 4 0 "[ . 1]" 1
353 1 16 LEU MD2 1 23 VAL HA 2.098 . 2.648 1.785 1.616 1.925 0.030 6 0 "[ . 1]" 1
354 1 16 LEU QD 1 27 LYS QG 1.903 . 2.356 1.727 1.591 2.224 0.108 3 0 "[ . 1]" 1
355 1 16 LEU MD1 2 31 VAL HB 3.300 . 5.000 3.209 3.132 3.306 . 0 0 "[ . 1]" 1
356 1 16 LEU MD2 1 23 VAL QG 2.081 . 2.622 1.888 1.747 2.011 . 0 0 "[ . 1]" 1
357 1 13 ALA HA 1 16 LEU MD2 2.302 . 2.965 2.968 2.865 3.027 0.062 10 0 "[ . 1]" 1
358 1 17 HIS HA 1 17 HIS QB 2.282 . 2.827 2.338 2.258 2.419 . 0 0 "[ . 1]" 1
359 1 14 LEU QD 1 17 HIS QB 2.874 . 3.855 2.774 2.672 2.889 . 0 0 "[ . 1]" 1
360 1 18 ASP HA 1 18 ASP QB 2.165 . 2.751 2.395 2.339 2.497 . 0 0 "[ . 1]" 1
361 1 19 ASP HA 1 19 ASP QB 2.424 . 2.861 2.379 2.357 2.422 . 0 0 "[ . 1]" 1
362 1 19 ASP QB 1 21 VAL MG1 . . 2.476 2.336 2.033 2.470 . 0 0 "[ . 1]" 1
363 1 19 ASP QB 2 33 ILE MD 3.300 . 5.000 1.774 1.487 2.240 0.113 8 0 "[ . 1]" 1
364 1 20 GLU HA 1 20 GLU QG 1.844 . 2.269 2.381 2.309 2.504 0.235 10 0 "[ . 1]" 1
365 1 21 VAL HA 1 21 VAL QG 1.873 . 2.307 2.323 2.303 2.349 0.042 5 0 "[ . 1]" 1
366 1 21 VAL HB 1 21 VAL QG 2.001 . 2.174 1.884 1.882 1.886 . 0 0 "[ . 1]" 1
367 1 16 LEU HG 1 21 VAL QG 2.167 . 2.754 2.647 2.556 2.734 . 0 0 "[ . 1]" 1
368 1 16 LEU HA 1 21 VAL QG 2.362 . 3.060 2.441 2.257 2.559 . 0 0 "[ . 1]" 1
369 1 22 THR HA 1 23 VAL MG2 2.406 . 3.130 3.238 3.204 3.275 0.145 5 0 "[ . 1]" 1
370 1 22 THR HA 1 22 THR MG 1.951 . 2.028 2.156 2.123 2.190 0.162 3 0 "[ . 1]" 1
371 1 22 THR HB 1 22 THR MG . . 1.848 2.094 2.087 2.096 0.248 2 0 "[ . 1]" 1
372 1 22 THR MG 1 27 LYS QD 3.300 . 5.000 5.016 4.942 5.115 0.115 1 0 "[ . 1]" 1
373 1 23 VAL HA 1 23 VAL QG 1.975 . 2.463 2.148 2.143 2.155 . 0 0 "[ . 1]" 1
374 1 23 VAL HA 1 51 LEU QB 3.300 . 5.000 4.985 4.906 5.050 0.050 8 0 "[ . 1]" 1
375 1 23 VAL HA 1 27 LYS QG 2.919 . 3.984 3.146 2.644 3.415 . 0 0 "[ . 1]" 1
376 1 23 VAL HB 1 23 VAL QG 2.108 . 2.351 1.898 1.896 1.899 . 0 0 "[ . 1]" 1
377 1 16 LEU HG 1 23 VAL MG2 . . 2.607 2.542 2.443 2.631 0.024 2 0 "[ . 1]" 1
378 1 23 VAL MG1 1 51 LEU HB2 2.074 . 2.577 1.780 1.742 1.830 0.085 2 0 "[ . 1]" 1
379 1 23 VAL MG1 1 48 ALA HA 2.062 . 2.593 1.814 1.703 1.981 . 0 0 "[ . 1]" 1
380 1 24 THR HB 1 24 THR MG 1.979 . 2.086 2.124 2.114 2.130 0.044 3 0 "[ . 1]" 1
381 1 25 GLU HA 1 48 ALA MB 2.509 . 2.988 2.751 2.567 2.965 . 0 0 "[ . 1]" 1
382 1 25 GLU HA 1 25 GLU QB 2.093 . 2.638 2.298 2.164 2.422 . 0 0 "[ . 1]" 1
383 1 25 GLU HA 1 28 ILE MD 5.000 . 5.500 2.637 2.349 3.003 . 0 0 "[ . 1]" 1
384 1 25 GLU HA 1 25 GLU QG 2.503 . 3.286 2.764 2.333 3.326 0.040 9 0 "[ . 1]" 1
385 1 25 GLU QB 1 48 ALA MB 2.359 . 3.054 2.975 2.877 3.097 0.043 10 0 "[ . 1]" 1
386 1 25 GLU QB 1 25 GLU QG 2.199 . 2.220 2.063 2.009 2.083 . 0 0 "[ . 1]" 1
387 1 25 GLU QG 1 48 ALA MB 2.850 . 3.866 3.741 3.398 3.939 0.073 4 0 "[ . 1]" 1
388 1 26 ASP HA 1 29 ASN QB 1.912 . 2.369 2.255 2.076 2.429 0.060 4 0 "[ . 1]" 1
389 1 26 ASP HA 1 26 ASP QB 2.078 . 2.240 2.265 2.161 2.362 0.122 6 0 "[ . 1]" 1
390 1 26 ASP QB 1 30 ALA MB 5.000 . 5.500 4.528 4.205 5.071 . 0 0 "[ . 1]" 1
391 1 26 ASP QB 1 29 ASN HB2 3.300 . 5.000 4.014 3.725 4.430 . 0 0 "[ . 1]" 1
392 1 27 LYS HA 2 31 VAL MG1 3.300 . 5.000 2.648 2.191 2.859 . 0 0 "[ . 1]" 1
393 1 27 LYS HA 1 27 LYS QB 2.121 . 2.683 2.488 2.408 2.519 . 0 0 "[ . 1]" 1
394 1 27 LYS HA 1 30 ALA MB 5.000 . 5.500 2.749 2.594 2.866 . 0 0 "[ . 1]" 1
395 1 27 LYS QB 2 31 VAL MG1 3.300 . 5.000 3.521 2.970 3.786 . 0 0 "[ . 1]" 1
396 1 27 LYS QG 2 31 VAL MG1 3.300 . 5.000 2.354 1.993 4.074 . 0 0 "[ . 1]" 1
397 1 27 LYS QG 1 28 ILE MD 5.000 . 5.500 5.282 5.120 5.457 . 0 0 "[ . 1]" 1
398 1 27 LYS HE2 1 27 LYS HG2 2.405 . 3.128 2.764 2.235 2.933 . 0 0 "[ . 1]" 1
399 1 27 LYS HA 1 27 LYS QG 2.595 . 2.889 2.577 2.212 2.858 . 0 0 "[ . 1]" 1
400 1 28 ILE MD 1 47 PHE HB3 3.000 . 3.300 2.139 1.963 2.399 . 0 0 "[ . 1]" 1
401 1 28 ILE MD 1 47 PHE QD 5.000 . 5.500 3.263 2.857 3.450 . 0 0 "[ . 1]" 1
402 1 13 ALA HA 1 28 ILE MD 3.400 . 3.700 2.970 2.639 3.285 . 0 0 "[ . 1]" 1
403 1 28 ILE MD 1 44 PRO HA 2.600 . 2.900 2.263 1.904 2.558 . 0 0 "[ . 1]" 1
404 1 13 ALA MB 1 28 ILE MD 3.400 . 3.700 2.391 2.014 2.643 . 0 0 "[ . 1]" 1
405 1 29 ASN HA 1 32 ILE MD 5.000 . 5.500 1.926 1.640 2.242 . 0 0 "[ . 1]" 1
406 1 29 ASN HA 1 29 ASN QB 2.393 . 2.475 2.456 2.412 2.516 0.041 4 0 "[ . 1]" 1
407 1 30 ALA HA 1 33 LYS QD 5.000 . 5.500 5.356 4.069 5.532 0.032 7 0 "[ . 1]" 1
408 1 28 ILE HA 1 31 LEU MD2 5.000 . 5.500 2.141 1.948 2.448 . 0 0 "[ . 1]" 1
409 1 31 LEU QD 2 31 VAL MG2 3.300 . 5.000 1.697 1.594 1.748 0.006 5 0 "[ . 1]" 1
410 1 30 ALA MB 1 31 LEU QD 5.000 . 5.500 2.752 2.609 2.854 . 0 0 "[ . 1]" 1
411 1 32 ILE HA 1 35 ALA MB 5.000 . 5.500 3.495 3.319 3.656 . 0 0 "[ . 1]" 1
412 1 32 ILE HA 2 10 LEU QD 5.000 . 5.500 3.238 2.551 3.410 . 0 0 "[ . 1]" 1
413 1 9 CYS QB 1 32 ILE MD 5.000 . 5.500 4.055 3.603 4.285 . 0 0 "[ . 1]" 1
414 1 8 ALA MB 1 32 ILE MD 5.000 . 5.500 4.304 4.009 4.387 . 0 0 "[ . 1]" 1
415 1 9 CYS HA 1 32 ILE MD 5.000 . 5.500 3.821 3.124 4.008 . 0 0 "[ . 1]" 1
416 1 33 LYS HA 1 33 LYS QG 2.184 . 2.741 2.781 2.365 2.865 0.124 10 0 "[ . 1]" 1
417 1 33 LYS HA 1 33 LYS QD 2.342 . 3.027 2.211 1.833 2.594 . 0 0 "[ . 1]" 1
418 1 33 LYS HA 1 33 LYS QB 1.872 . 2.310 2.335 2.269 2.435 0.125 8 0 "[ . 1]" 1
419 1 33 LYS QB 1 33 LYS QE 2.704 . 3.618 3.593 3.040 3.774 0.156 9 0 "[ . 1]" 1
420 1 33 LYS QB 1 33 LYS QG 1.914 . 2.332 1.994 1.983 2.005 . 0 0 "[ . 1]" 1
421 1 33 LYS HB2 1 33 LYS HD2 1.951 . 2.427 2.510 2.182 3.147 0.720 7 1 "[ . + 1]" 1
422 1 33 LYS QE 1 33 LYS HG2 2.151 . 2.729 2.444 2.298 3.075 0.346 7 0 "[ . 1]" 1
423 1 30 ALA HA 1 33 LYS QG 5.000 . 5.500 3.988 3.488 4.825 . 0 0 "[ . 1]" 1
424 1 34 ALA MB 2 27 ILE HA 3.300 . 5.000 2.016 1.657 2.334 . 0 0 "[ . 1]" 1
425 1 34 ALA MB 2 27 ILE HG13 2.500 . 2.800 2.614 2.358 2.808 0.008 4 0 "[ . 1]" 1
426 1 34 ALA MB 2 27 ILE MD 3.000 . 3.300 2.720 2.546 2.918 . 0 0 "[ . 1]" 1
427 1 34 ALA MB 2 26 LYS QE 5.000 . 5.500 4.981 2.941 5.422 . 0 0 "[ . 1]" 1
428 1 34 ALA MB 2 30 SER QB 5.000 . 5.500 1.960 1.762 2.111 . 0 0 "[ . 1]" 1
429 1 35 ALA HA 2 27 ILE QG 2.600 . 2.900 2.904 2.679 3.027 0.127 3 0 "[ . 1]" 1
430 1 35 ALA HA 2 27 ILE MD 2.800 . 3.100 1.941 1.832 2.138 . 0 0 "[ . 1]" 1
431 1 35 ALA MB 2 13 LEU QB 5.000 . 5.500 3.803 3.721 3.928 . 0 0 "[ . 1]" 1
432 1 35 ALA MB 1 37 VAL MG1 5.000 . 5.500 1.869 1.745 2.091 . 0 0 "[ . 1]" 1
433 1 35 ALA MB 2 10 LEU QB 5.000 . 5.500 2.466 2.283 2.691 . 0 0 "[ . 1]" 1
434 1 35 ALA MB 2 27 ILE HA 5.000 . 5.500 4.376 4.170 4.515 . 0 0 "[ . 1]" 1
435 1 37 VAL HA 1 37 VAL QG 2.032 . 2.451 2.367 2.338 2.407 . 0 0 "[ . 1]" 1
436 1 37 VAL HB 1 37 VAL QG 2.004 . 2.301 1.889 1.886 1.892 . 0 0 "[ . 1]" 1
437 1 8 ALA MB 1 37 VAL QG 1.932 . 2.256 1.800 1.714 1.857 . 0 0 "[ . 1]" 1
438 1 37 VAL QG 2 14 GLY HA3 2.354 . 2.464 2.725 2.449 2.851 0.387 5 0 "[ . 1]" 1
439 1 37 VAL QG 2 13 LEU QD 1.851 . 2.279 2.350 2.291 2.404 0.125 6 0 "[ . 1]" 1
440 1 37 VAL MG2 2 13 LEU HG 2.254 . 2.889 2.939 2.902 2.976 0.087 5 0 "[ . 1]" 1
441 1 32 ILE HA 1 37 VAL MG1 5.000 . 5.500 2.935 2.877 3.009 . 0 0 "[ . 1]" 1
442 1 37 VAL QG 2 13 LEU HB2 2.248 . 2.757 2.808 2.528 3.111 0.354 3 0 "[ . 1]" 1
443 1 37 VAL MG1 1 39 VAL HA 3.300 . 5.000 5.113 4.818 5.223 0.223 6 0 "[ . 1]" 1
444 1 32 ILE MG 1 38 ASN QB 4.200 . 4.500 3.308 3.156 3.476 . 0 0 "[ . 1]" 1
445 1 38 ASN HA 1 38 ASN QB 2.017 . 2.526 2.408 2.366 2.478 . 0 0 "[ . 1]" 1
446 1 39 VAL HA 1 39 VAL QG 2.007 . 2.511 2.143 2.135 2.151 . 0 0 "[ . 1]" 1
447 1 39 VAL HB 1 39 VAL QG 1.986 . 2.309 1.887 1.880 1.891 . 0 0 "[ . 1]" 1
448 1 39 VAL HB 1 44 PRO QD 2.831 . 3.833 2.953 2.850 3.046 . 0 0 "[ . 1]" 1
449 1 39 VAL MG1 1 43 TRP QB 2.324 . 2.999 1.944 1.860 2.011 . 0 0 "[ . 1]" 1
450 1 38 ASN HA 1 39 VAL MG2 2.877 . 3.404 2.981 2.876 3.071 . 0 0 "[ . 1]" 1
451 1 39 VAL MG1 1 44 PRO QD 2.053 . 2.580 1.819 1.754 1.904 . 0 0 "[ . 1]" 1
452 1 9 CYS HA 1 39 VAL MG2 2.294 . 2.952 1.793 1.730 1.877 0.023 7 0 "[ . 1]" 1
453 1 8 ALA MB 1 39 VAL MG2 1.997 . 2.496 1.950 1.879 2.015 . 0 0 "[ . 1]" 1
454 1 9 CYS QB 1 39 VAL MG1 2.389 . 3.102 1.729 1.660 1.818 0.016 4 0 "[ . 1]" 1
455 1 39 VAL MG1 1 43 TRP HD1 2.510 . 3.298 2.547 2.453 2.618 . 0 0 "[ . 1]" 1
456 1 40 GLU HA 1 40 GLU QG 2.123 . 2.686 2.656 2.157 2.804 0.118 1 0 "[ . 1]" 1
457 1 40 GLU QB 1 40 GLU HG2 2.048 . 2.526 2.081 2.020 2.305 . 0 0 "[ . 1]" 1
458 1 40 GLU QG 1 41 PRO HD2 2.316 . 2.987 3.118 2.929 3.614 0.627 4 2 "[ +.- 1]" 1
459 1 40 GLU QG 1 43 TRP HD1 2.444 . 3.191 3.256 3.227 3.277 0.086 5 0 "[ . 1]" 1
460 1 40 GLU HG2 1 42 PHE HE1 2.733 . 3.667 2.565 1.926 4.336 0.669 4 2 "[ +.- 1]" 1
461 1 39 VAL QG 1 41 PRO HA 2.762 . 3.658 3.686 3.652 3.741 0.083 4 0 "[ . 1]" 1
462 1 41 PRO HA 1 41 PRO QG 2.127 . 2.693 2.765 2.753 2.790 0.097 6 0 "[ . 1]" 1
463 1 41 PRO HA 1 41 PRO QB 2.191 . 2.415 2.239 2.234 2.245 . 0 0 "[ . 1]" 1
464 1 41 PRO HA 1 41 PRO QD 2.580 . 3.286 3.324 3.307 3.354 0.068 6 0 "[ . 1]" 1
465 1 41 PRO QB 1 41 PRO HD2 2.572 . 3.355 2.764 2.745 2.783 . 0 0 "[ . 1]" 1
466 1 41 PRO QD 1 41 PRO HG2 2.088 . 2.633 2.006 2.001 2.023 . 0 0 "[ . 1]" 1
467 1 40 GLU HA 1 41 PRO QD 2.183 . 2.779 1.823 1.660 1.891 . 0 0 "[ . 1]" 1
468 1 42 PHE HA 1 42 PHE QD 2.651 . 3.530 3.590 3.575 3.618 0.088 4 0 "[ . 1]" 1
469 1 42 PHE HA 1 42 PHE QB 2.210 . 2.369 2.162 2.159 2.166 . 0 0 "[ . 1]" 1
470 1 42 PHE HB2 1 42 PHE HD2 2.492 . 3.268 3.028 2.143 3.251 . 0 0 "[ . 1]" 1
471 1 43 TRP HA 1 46 LEU MD2 2.613 . 3.384 3.105 3.019 3.202 . 0 0 "[ . 1]" 1
472 1 43 TRP HA 1 43 TRP QB 2.746 . 3.496 2.473 2.465 2.481 . 0 0 "[ . 1]" 1
473 1 42 PHE QD 1 43 TRP HA 2.787 . 3.758 3.813 3.789 3.837 0.079 4 0 "[ . 1]" 1
474 1 28 ILE MG 1 44 PRO HA 3.200 . 3.500 2.334 1.985 2.537 . 0 0 "[ . 1]" 1
475 1 44 PRO HA 1 44 PRO QG 2.596 . 3.304 2.810 2.793 2.826 . 0 0 "[ . 1]" 1
476 1 46 LEU HB2 1 46 LEU MD1 . . 2.437 1.930 1.920 1.942 . 0 0 "[ . 1]" 1
477 1 46 LEU HA 1 46 LEU MD1 2.092 . 2.481 2.474 2.410 2.517 0.036 8 0 "[ . 1]" 1
478 1 42 PHE QR 1 46 LEU MD2 2.762 . 3.660 2.017 1.904 2.121 . 0 0 "[ . 1]" 1
479 1 46 LEU MD1 1 50 ALA MB 5.000 . 5.500 2.514 2.267 2.774 . 0 0 "[ . 1]" 1
480 1 42 PHE HZ 1 46 LEU MD2 2.777 . 3.667 3.725 3.678 3.785 0.118 4 0 "[ . 1]" 1
481 1 42 PHE QD 1 46 LEU MD2 2.361 . 3.058 2.856 2.693 3.022 . 0 0 "[ . 1]" 1
482 1 47 PHE HA 1 47 PHE QD 2.655 . 3.536 2.947 2.803 3.009 . 0 0 "[ . 1]" 1
483 1 28 ILE MD 1 47 PHE HB3 2.510 . 3.298 1.927 1.813 2.005 . 0 0 "[ . 1]" 1
484 1 47 PHE HA 1 47 PHE QB 2.672 . 2.851 2.516 2.509 2.521 . 0 0 "[ . 1]" 1
485 1 47 PHE QB 1 47 PHE QD 2.540 . 3.346 2.112 2.103 2.129 . 0 0 "[ . 1]" 1
486 1 49 LYS HA 1 49 LYS QB 1.950 . 2.225 2.397 2.378 2.423 0.198 6 0 "[ . 1]" 1
487 1 49 LYS HA 1 49 LYS QD 2.115 . 2.590 2.721 2.658 2.820 0.230 7 0 "[ . 1]" 1
488 1 49 LYS HB2 1 49 LYS HD2 1.866 . 2.235 3.052 3.045 3.058 0.823 9 10 [*-******+*] 1
489 1 49 LYS QB 1 49 LYS HE2 2.607 . 3.456 2.737 2.635 2.858 . 0 0 "[ . 1]" 1
490 1 49 LYS QB 1 49 LYS HG2 1.892 . 2.340 2.300 2.204 2.326 . 0 0 "[ . 1]" 1
491 1 49 LYS HD2 1 49 LYS HG2 1.552 . 1.853 2.142 2.114 2.164 0.311 7 0 "[ . 1]" 1
492 1 49 LYS QD 1 49 LYS QE 1.768 . 2.121 2.093 2.091 2.096 . 0 0 "[ . 1]" 1
493 1 46 LEU QB 1 50 ALA MB 5.000 . 5.500 4.678 4.503 4.959 . 0 0 "[ . 1]" 1
494 1 50 ALA MB 1 51 LEU QD 1.774 . 2.168 1.984 1.860 2.124 . 0 0 "[ . 1]" 1
495 1 46 LEU HG 1 50 ALA MB 5.000 . 5.500 3.434 3.215 3.803 . 0 0 "[ . 1]" 1
496 1 47 PHE HA 1 50 ALA MB 5.000 . 5.500 2.786 2.428 3.150 . 0 0 "[ . 1]" 1
497 1 51 LEU QB 1 51 LEU QD 2.166 . 2.182 1.876 1.850 1.995 . 0 0 "[ . 1]" 1
498 1 48 ALA HA 1 51 LEU QB 2.735 . 3.670 3.269 3.162 3.391 . 0 0 "[ . 1]" 1
499 1 51 LEU HA 1 51 LEU QD . . 2.674 2.255 1.855 2.374 0.014 6 0 "[ . 1]" 1
500 1 13 ALA MB 1 51 LEU QD 2.187 . 2.785 1.771 1.615 2.251 . 0 0 "[ . 1]" 1
501 1 47 PHE QD 1 51 LEU QD 2.680 . 3.578 1.715 1.376 1.959 0.418 4 0 "[ . 1]" 1
502 1 48 ALA HA 1 51 LEU QD 2.471 . 3.234 3.341 3.292 3.470 0.236 6 0 "[ . 1]" 1
503 1 23 VAL QG 1 52 ALA HA 5.000 . 5.500 3.797 3.093 4.353 . 0 0 "[ . 1]" 1
504 1 53 ASN HA 1 53 ASN QB 2.278 . 2.391 2.354 2.182 2.412 0.021 5 0 "[ . 1]" 1
505 1 54 VAL HA 1 54 VAL QG 2.049 . 2.448 2.398 2.373 2.417 . 0 0 "[ . 1]" 1
506 1 54 VAL HB 1 58 SER QB 2.948 . 3.384 2.320 2.087 2.865 . 0 0 "[ . 1]" 1
507 1 54 VAL HB 1 54 VAL QG 1.925 . 2.189 1.894 1.891 1.896 . 0 0 "[ . 1]" 1
508 1 54 VAL QG 1 58 SER HB2 2.240 . 2.717 2.420 2.149 2.708 . 0 0 "[ . 1]" 1
509 1 51 LEU HA 1 54 VAL MG2 2.309 . 2.975 2.391 2.013 2.664 . 0 0 "[ . 1]" 1
510 1 55 ASN HA 1 55 ASN QB 2.391 . 2.512 2.363 2.179 2.474 . 0 0 "[ . 1]" 1
511 1 54 VAL MG2 1 55 ASN HA 2.399 . 3.119 3.245 3.165 3.310 0.191 6 0 "[ . 1]" 1
512 1 56 ILE HB 1 56 ILE QG 2.581 . 3.215 2.469 2.453 2.485 . 0 0 "[ . 1]" 1
513 1 56 ILE HB 1 56 ILE MG 1.909 . 2.365 2.118 2.111 2.122 . 0 0 "[ . 1]" 1
514 1 56 ILE HB 1 56 ILE MD 2.081 . 2.622 2.234 2.217 2.274 . 0 0 "[ . 1]" 1
515 1 56 ILE MD 1 56 ILE QG 1.893 . 2.341 1.885 1.882 1.888 . 0 0 "[ . 1]" 1
516 1 56 ILE HA 1 56 ILE MD 2.113 . 2.671 2.224 2.129 2.275 . 0 0 "[ . 1]" 1
517 1 17 HIS HD2 1 56 ILE MD 2.698 . 3.533 2.747 1.741 3.648 0.115 2 0 "[ . 1]" 1
518 1 56 ILE QG 1 56 ILE MG 2.174 . 2.720 2.089 2.075 2.102 . 0 0 "[ . 1]" 1
519 1 56 ILE QG 1 57 GLY HA3 3.300 . 4.305 4.296 4.177 4.441 0.136 7 0 "[ . 1]" 1
520 1 56 ILE MG 1 57 GLY QA 2.640 . 3.511 3.026 2.901 3.110 . 0 0 "[ . 1]" 1
521 1 57 GLY QA 1 60 ILE HB 2.578 . 3.408 3.291 3.170 3.421 0.013 3 0 "[ . 1]" 1
522 1 58 SER HA 1 58 SER QB 1.862 . 2.296 2.360 2.328 2.389 0.093 2 0 "[ . 1]" 1
523 1 59 LEU HA 1 59 LEU QD 2.014 . 2.396 2.009 1.991 2.017 . 0 0 "[ . 1]" 1
524 1 59 LEU QB 1 59 LEU MD1 2.024 . 2.521 1.949 1.933 1.959 . 0 0 "[ . 1]" 1
525 1 59 LEU HA 1 59 LEU QB 2.414 . 2.745 2.365 2.358 2.369 . 0 0 "[ . 1]" 1
526 1 56 ILE HA 1 59 LEU QB 2.715 . 3.635 3.710 3.697 3.722 0.087 4 0 "[ . 1]" 1
527 1 59 LEU QD 1 59 LEU HG 1.697 . 2.057 1.892 1.888 1.895 . 0 0 "[ . 1]" 1
528 1 56 ILE HA 1 59 LEU QD 2.131 . 2.698 2.655 2.563 2.744 0.046 6 0 "[ . 1]" 1
529 1 60 ILE HB 1 60 ILE QG 2.558 . 3.128 2.470 2.463 2.479 . 0 0 "[ . 1]" 1
530 1 60 ILE HB 1 60 ILE MG 1.926 . 2.390 2.130 2.127 2.135 . 0 0 "[ . 1]" 1
531 1 60 ILE MD 1 60 ILE QG 2.100 . 2.253 1.885 1.881 1.887 . 0 0 "[ . 1]" 1
532 1 61 CYS HA 1 61 CYS QB 1.998 . 2.301 2.404 2.376 2.433 0.132 10 0 "[ . 1]" 1
533 1 60 ILE MG 1 61 CYS HA 2.702 . 3.614 3.243 3.147 3.334 . 0 0 "[ . 1]" 1
534 1 60 ILE MG 1 61 CYS QB 2.591 . 3.430 3.263 3.080 3.417 . 0 0 "[ . 1]" 1
535 1 62 ASN HA 1 62 ASN QB 2.064 . 2.597 2.304 2.145 2.455 . 0 0 "[ . 1]" 1
536 1 63 VAL HA 1 63 VAL QG 1.819 . 2.211 2.217 2.190 2.242 0.031 4 0 "[ . 1]" 1
537 1 63 VAL HB 1 63 VAL QG 1.844 . 1.980 1.894 1.886 1.898 . 0 0 "[ . 1]" 1
538 1 65 ALA HA 1 65 ALA MB 1.786 . 2.185 2.124 2.096 2.131 . 0 0 "[ . 1]" 1
539 1 7 LEU QB 1 11 TYR HE2 2.303 . 2.966 3.073 3.053 3.102 0.136 9 0 "[ . 1]" 1
540 1 11 TYR QE 2 9 LEU MD2 2.432 . 3.034 2.541 2.400 2.815 . 0 0 "[ . 1]" 1
541 1 6 GLU QG 1 43 TRP HD1 2.998 . 4.122 3.304 2.780 4.189 0.067 5 0 "[ . 1]" 1
542 1 11 TYR HD1 2 13 LEU QD 2.869 . 3.539 4.655 4.605 4.677 1.138 8 10 [*******+-*] 1
543 1 11 TYR QD 2 9 LEU MD2 2.781 . 3.748 2.949 2.739 3.169 . 0 0 "[ . 1]" 1
544 2 2 MET ME 2 6 ALA MB 1.974 . 2.461 1.981 1.680 2.238 . 0 0 "[ . 1]" 1
545 2 2 MET ME 2 2 MET QG 1.971 . 2.212 2.185 2.166 2.202 . 0 0 "[ . 1]" 1
546 2 2 MET ME 2 4 TYR HA 3.300 . 5.000 4.692 4.481 4.894 . 0 0 "[ . 1]" 1
547 1 14 LEU QD 2 2 MET ME 1.586 . 1.901 1.633 1.504 1.924 0.070 6 0 "[ . 1]" 1
548 2 4 TYR HA 2 4 TYR QD 2.865 . 3.891 2.664 2.529 2.823 . 0 0 "[ . 1]" 1
549 2 4 TYR HB2 2 4 TYR HD2 2.578 . 3.409 2.168 2.155 2.179 . 0 0 "[ . 1]" 1
550 2 4 TYR HB3 2 43 VAL MG1 . . 2.488 2.729 2.504 3.034 0.546 8 2 "[ . + -]" 1
551 2 4 TYR HB2 2 24 ILE MG 5.000 . 5.500 2.579 2.436 2.780 . 0 0 "[ . 1]" 1
552 2 5 VAL HA 2 8 TYR QD 3.300 . 5.000 4.471 4.311 4.607 . 0 0 "[ . 1]" 1
553 2 5 VAL HA 2 47 LEU MD2 2.465 . 3.224 3.396 3.154 3.967 0.743 10 1 "[ . +]" 1
554 2 5 VAL HA 2 5 VAL QG 2.102 . 2.542 2.158 2.129 2.246 . 0 0 "[ . 1]" 1
555 2 5 VAL QG 2 47 LEU MD2 2.195 . 2.418 2.139 1.583 2.462 0.044 10 0 "[ . 1]" 1
556 2 5 VAL QG 2 47 LEU HG 3.300 . 5.000 3.363 2.949 3.815 . 0 0 "[ . 1]" 1
557 2 5 VAL HB 2 5 VAL QG 1.865 . 2.300 1.891 1.888 1.893 . 0 0 "[ . 1]" 1
558 2 5 VAL QG 2 6 ALA HA 2.369 . 3.071 3.216 3.186 3.267 0.196 10 0 "[ . 1]" 1
559 2 4 TYR HA 2 5 VAL QG 3.300 . 5.000 4.610 4.103 4.784 . 0 0 "[ . 1]" 1
560 2 6 ALA HA 2 6 ALA MB 2.518 . 2.606 2.122 2.116 2.125 . 0 0 "[ . 1]" 1
561 2 6 ALA MB 2 9 LEU HB2 2.800 . 5.000 2.959 2.882 3.040 . 0 0 "[ . 1]" 1
562 1 11 TYR HD1 2 6 ALA MB 2.340 . 3.025 3.020 2.889 3.077 0.052 8 0 "[ . 1]" 1
563 2 2 MET QG 2 6 ALA MB 2.562 . 3.204 3.247 3.195 3.302 0.098 3 0 "[ . 1]" 1
564 2 5 VAL HB 2 6 ALA MB 2.800 . 5.000 3.636 3.496 4.442 . 0 0 "[ . 1]" 1
565 2 8 TYR HA 2 8 TYR QB 2.580 . 2.717 2.394 2.378 2.413 . 0 0 "[ . 1]" 1
566 2 8 TYR HA 2 24 ILE MD 2.400 . 2.700 2.131 2.030 2.199 . 0 0 "[ . 1]" 1
567 2 8 TYR HA 2 11 ALA MB 2.568 . 2.974 2.948 2.870 3.017 0.043 8 0 "[ . 1]" 1
568 2 8 TYR HA 2 8 TYR QD 2.552 . 3.366 3.138 3.102 3.161 . 0 0 "[ . 1]" 1
569 2 8 TYR HB2 2 8 TYR HD1 2.556 . 3.307 2.271 2.254 2.284 . 0 0 "[ . 1]" 1
570 2 8 TYR QB 2 24 ILE MD 3.800 2.100 4.100 2.247 2.175 2.351 . 0 0 "[ . 1]" 1
571 2 9 LEU HA 2 12 ALA MB 2.315 . 2.557 2.616 2.553 2.642 0.085 3 0 "[ . 1]" 1
572 2 9 LEU HA 2 9 LEU QB 2.670 . 3.053 2.424 2.410 2.441 . 0 0 "[ . 1]" 1
573 2 9 LEU HB2 2 9 LEU MD1 2.532 . 2.766 2.023 1.979 2.045 . 0 0 "[ . 1]" 1
574 2 8 TYR HD1 2 9 LEU MD1 2.180 . 2.747 2.146 1.990 2.284 . 0 0 "[ . 1]" 1
575 2 9 LEU QD 2 9 LEU HG 1.926 . 2.390 1.885 1.881 1.888 . 0 0 "[ . 1]" 1
576 2 5 VAL HA 2 9 LEU MD1 2.636 . 3.505 2.337 2.221 2.478 . 0 0 "[ . 1]" 1
577 2 5 VAL HB 2 9 LEU QD 2.602 . 3.234 3.177 2.440 3.300 0.066 6 0 "[ . 1]" 1
578 2 9 LEU MD1 2 52 ILE QG 2.085 . 2.628 1.550 1.508 1.708 0.038 6 0 "[ . 1]" 1
579 2 9 LEU MD1 2 55 VAL HB 2.638 . 3.508 3.573 3.538 3.611 0.103 10 0 "[ . 1]" 1
580 2 10 LEU HA 2 10 LEU QD 2.125 . 2.689 1.849 1.722 2.407 0.085 3 0 "[ . 1]" 1
581 2 10 LEU QB 2 11 ALA HA 2.578 . 3.409 3.606 3.570 3.627 0.218 6 0 "[ . 1]" 1
582 2 10 LEU QB 2 10 LEU MD2 2.639 . 2.770 2.076 2.062 2.106 . 0 0 "[ . 1]" 1
583 1 15 ILE MD 2 10 LEU QB 2.520 . 3.314 2.495 2.385 2.683 . 0 0 "[ . 1]" 1
584 1 35 ALA MB 2 10 LEU QD 5.000 . 5.500 2.241 1.920 2.456 . 0 0 "[ . 1]" 1
585 2 10 LEU MD1 2 13 LEU QB 5.000 . 5.500 3.271 2.908 4.845 . 0 0 "[ . 1]" 1
586 1 11 TYR HD2 2 10 LEU QD 2.801 . 3.782 2.459 2.148 3.396 . 0 0 "[ . 1]" 1
587 1 12 SER HA 2 10 LEU QD 2.143 . 2.717 2.585 2.274 2.684 . 0 0 "[ . 1]" 1
588 2 11 ALA HA 2 27 ILE MD 3.800 2.100 4.100 3.162 2.827 3.433 . 0 0 "[ . 1]" 1
589 2 11 ALA HA 2 11 ALA MB 1.919 . 2.309 2.120 2.115 2.131 . 0 0 "[ . 1]" 1
590 2 11 ALA MB 2 16 ASN QB 2.517 . 3.069 2.638 2.456 3.020 . 0 0 "[ . 1]" 1
591 2 10 LEU QB 2 11 ALA MB 2.800 . 3.450 3.552 3.515 3.666 0.216 4 0 "[ . 1]" 1
592 2 11 ALA MB 2 27 ILE MD 3.400 . 3.700 2.408 1.985 2.757 . 0 0 "[ . 1]" 1
593 2 11 ALA MB 2 12 ALA HA 2.353 . 3.045 3.083 3.056 3.116 0.071 4 0 "[ . 1]" 1
594 2 12 ALA HA 2 12 ALA MB 1.879 . 2.262 2.120 2.114 2.125 . 0 0 "[ . 1]" 1
595 2 12 ALA MB 2 52 ILE MD 1.858 . 2.225 2.222 2.129 2.281 0.056 9 0 "[ . 1]" 1
596 2 8 TYR HD1 2 12 ALA MB 2.476 . 3.242 3.220 3.120 3.293 0.051 9 0 "[ . 1]" 1
597 2 13 LEU HA 2 13 LEU QB 2.454 . 2.820 2.530 2.520 2.539 . 0 0 "[ . 1]" 1
598 2 13 LEU HA 2 13 LEU QD 1.940 . 2.411 2.075 1.852 2.218 . 0 0 "[ . 1]" 1
599 2 13 LEU QB 2 13 LEU MD2 2.392 . 2.884 2.053 2.044 2.060 . 0 0 "[ . 1]" 1
600 2 13 LEU QD 2 13 LEU HG 2.041 . 2.527 1.891 1.889 1.896 . 0 0 "[ . 1]" 1
601 2 9 LEU HB3 2 13 LEU QD 2.800 . 5.000 3.212 3.107 3.359 . 0 0 "[ . 1]" 1
602 1 8 ALA HA 2 13 LEU QD 2.331 . 3.010 2.254 2.187 2.331 . 0 0 "[ . 1]" 1
603 1 11 TYR HE2 2 13 LEU QD 2.192 . 2.792 1.713 1.471 1.854 0.165 1 0 "[ . 1]" 1
604 2 16 ASN HA 2 16 ASN QB 2.639 . 2.850 2.340 2.270 2.397 . 0 0 "[ . 1]" 1
605 2 17 SER HA 2 52 ILE MD 2.777 . 3.741 3.573 3.469 3.730 . 0 0 "[ . 1]" 1
606 2 17 SER HA 2 17 SER QB 1.769 . 1.974 2.208 2.157 2.275 0.301 2 0 "[ . 1]" 1
607 2 12 ALA MB 2 17 SER HA 2.271 . 2.869 2.130 1.919 2.384 . 0 0 "[ . 1]" 1
608 2 18 SER HA 2 19 PRO QD 2.794 . 2.966 2.016 1.992 2.047 . 0 0 "[ . 1]" 1
609 2 18 SER HA 2 18 SER QB . . 2.374 2.368 2.328 2.397 0.023 8 0 "[ . 1]" 1
610 2 18 SER QB 2 19 PRO HD2 2.776 . 3.554 3.982 3.974 3.993 0.439 10 0 "[ . 1]" 1
611 2 19 PRO HA 2 19 PRO QG 2.226 . 2.845 2.904 2.860 2.952 0.107 10 0 "[ . 1]" 1
612 2 19 PRO HA 2 19 PRO QB 2.173 . 2.542 2.207 2.199 2.211 . 0 0 "[ . 1]" 1
613 2 19 PRO HA 2 23 ASP QB 2.658 . 3.094 3.153 3.102 3.198 0.104 2 0 "[ . 1]" 1
614 2 19 PRO QD 2 19 PRO HG2 2.319 . 2.991 2.149 2.146 2.153 . 0 0 "[ . 1]" 1
615 2 18 SER HA 2 19 PRO QG 2.808 . 3.793 3.910 3.885 3.935 0.142 5 0 "[ . 1]" 1
616 2 8 TYR HA 2 19 PRO QG 2.742 . 3.682 2.675 2.557 2.827 . 0 0 "[ . 1]" 1
617 2 8 TYR QR 2 19 PRO HG2 2.696 . 3.604 2.985 2.911 3.090 . 0 0 "[ . 1]" 1
618 2 20 SER HA 2 20 SER QB 2.118 . 2.476 2.224 2.165 2.333 . 0 0 "[ . 1]" 1
619 2 21 ALA HA 2 44 ILE MD 2.500 . 2.800 2.283 2.060 2.527 . 0 0 "[ . 1]" 1
620 2 21 ALA HA 2 21 ALA MB 2.020 . 2.249 2.124 2.118 2.128 . 0 0 "[ . 1]" 1
621 2 21 ALA MB 2 44 ILE MD 3.200 . 3.500 3.138 2.636 3.469 . 0 0 "[ . 1]" 1
622 2 22 LYS HA 2 22 LYS QB 1.883 . 2.198 2.428 2.417 2.442 0.244 6 0 "[ . 1]" 1
623 2 22 LYS HD2 2 22 LYS HE2 1.742 . 1.975 2.126 2.017 2.291 0.316 4 0 "[ . 1]" 1
624 2 23 ASP HA 2 26 LYS QG 2.624 . 3.453 3.164 2.578 3.741 0.288 5 0 "[ . 1]" 1
625 2 23 ASP HA 2 23 ASP QB 2.180 . 2.393 2.417 2.371 2.497 0.104 7 0 "[ . 1]" 1
626 2 24 ILE HA 2 24 ILE MG 3.300 . 5.000 2.330 2.231 2.396 . 0 0 "[ . 1]" 1
627 2 24 ILE HA 2 24 ILE MD 3.300 . 5.000 2.112 2.053 2.160 . 0 0 "[ . 1]" 1
628 2 24 ILE HA 2 24 ILE QG 3.300 . 5.000 3.060 3.039 3.080 . 0 0 "[ . 1]" 1
629 2 24 ILE HB 2 24 ILE MD 3.300 . 5.000 3.228 3.223 3.233 . 0 0 "[ . 1]" 1
630 2 24 ILE HG12 2 24 ILE MG 3.300 . 5.000 3.192 3.185 3.199 . 0 0 "[ . 1]" 1
631 2 4 TYR HD1 2 24 ILE MG 3.300 . 5.000 2.376 2.242 2.478 . 0 0 "[ . 1]" 1
632 2 4 TYR HA 2 24 ILE MG 3.300 . 5.000 3.142 2.867 3.282 . 0 0 "[ . 1]" 1
633 2 7 SER HA 2 24 ILE MG 3.300 . 5.000 4.196 4.136 4.291 . 0 0 "[ . 1]" 1
634 2 24 ILE MD 2 24 ILE MG 3.300 . 5.000 1.971 1.873 2.097 . 0 0 "[ . 1]" 1
635 2 4 TYR HB2 2 24 ILE MG 3.300 . 5.000 3.274 3.047 3.537 . 0 0 "[ . 1]" 1
636 2 4 TYR HE1 2 24 ILE MG 3.300 . 5.000 3.944 3.783 4.067 . 0 0 "[ . 1]" 1
637 2 25 LYS HA 2 25 LYS QG 2.272 . 2.917 2.812 2.609 2.897 . 0 0 "[ . 1]" 1
638 2 25 LYS HA 2 28 LEU MD2 3.300 . 5.000 2.686 2.224 3.101 . 0 0 "[ . 1]" 1
639 2 25 LYS HD2 2 25 LYS HG2 1.968 . 2.452 2.230 2.057 2.328 . 0 0 "[ . 1]" 1
640 2 25 LYS QE 2 25 LYS HG2 . . 2.446 2.900 2.527 3.090 0.644 9 7 "[**-*. * +*]" 1
641 2 25 LYS QB 2 25 LYS HG2 2.487 . 3.138 2.116 2.038 2.153 . 0 0 "[ . 1]" 1
642 2 26 LYS HA 2 26 LYS QG 2.232 . 2.854 2.816 2.499 2.925 0.071 1 0 "[ . 1]" 1
643 2 26 LYS HA 2 29 ASP QB 2.203 . 2.810 2.772 2.414 2.907 0.097 3 0 "[ . 1]" 1
644 2 23 ASP QB 2 26 LYS QB 3.300 . 5.000 4.078 3.782 4.449 . 0 0 "[ . 1]" 1
645 2 26 LYS QD 2 30 SER QB 3.300 . 5.000 4.804 4.442 5.235 0.235 3 0 "[ . 1]" 1
646 2 26 LYS QD 2 26 LYS QG 1.986 . 2.224 2.055 2.020 2.080 . 0 0 "[ . 1]" 1
647 2 26 LYS HA 2 26 LYS QD 3.300 . 5.000 2.375 1.593 3.950 0.007 2 0 "[ . 1]" 1
648 2 26 LYS QB 2 26 LYS HG2 2.111 . 2.648 2.085 2.051 2.099 . 0 0 "[ . 1]" 1
649 2 26 LYS QE 2 26 LYS QG 2.312 . 2.872 2.204 2.120 2.444 . 0 0 "[ . 1]" 1
650 2 27 ILE HA 2 27 ILE MG 3.300 . 5.000 2.711 2.661 2.745 . 0 0 "[ . 1]" 1
651 2 26 LYS QG 2 27 ILE HA 3.300 . 5.000 4.614 3.439 5.258 0.258 6 0 "[ . 1]" 1
652 2 27 ILE HB 2 27 ILE MD 3.300 . 5.000 2.411 2.302 2.471 . 0 0 "[ . 1]" 1
653 1 34 ALA MB 2 27 ILE MD 3.300 . 5.000 2.717 2.350 3.028 . 0 0 "[ . 1]" 1
654 2 27 ILE HA 2 27 ILE MD 3.300 . 5.000 2.510 2.325 2.905 . 0 0 "[ . 1]" 1
655 2 10 LEU QB 2 27 ILE MD 4.100 2.400 4.400 3.606 3.094 3.896 . 0 0 "[ . 1]" 1
656 1 31 LEU HA 2 27 ILE MG 3.300 . 5.000 2.184 1.961 2.428 . 0 0 "[ . 1]" 1
657 2 28 LEU HA 2 28 LEU QD 3.300 . 5.000 3.414 3.404 3.428 . 0 0 "[ . 1]" 1
658 2 25 LYS QD 2 28 LEU QB 3.300 . 5.000 4.719 4.119 4.869 . 0 0 "[ . 1]" 1
659 2 28 LEU QD 2 35 ALA HA 3.300 . 5.000 3.551 3.397 3.671 . 0 0 "[ . 1]" 1
660 2 28 LEU QD 2 35 ALA MB 3.300 . 3.600 1.693 1.638 1.751 . 0 0 "[ . 1]" 1
661 2 4 TYR HD1 2 28 LEU MD2 3.300 . 3.600 2.198 2.082 2.389 . 0 0 "[ . 1]" 1
662 2 4 TYR HE1 2 28 LEU MD2 3.300 . 3.600 2.313 2.113 2.700 . 0 0 "[ . 1]" 1
663 2 28 LEU MD1 2 34 GLU HA 3.300 . 5.000 3.620 3.167 4.088 . 0 0 "[ . 1]" 1
664 2 28 LEU MD1 2 29 ASP HA 3.300 . 5.000 2.863 2.596 3.042 . 0 0 "[ . 1]" 1
665 2 25 LYS QD 2 28 LEU MD2 3.300 . 5.000 2.742 2.153 3.069 . 0 0 "[ . 1]" 1
666 2 29 ASP HA 2 32 GLY QA 2.888 . 3.307 3.053 2.852 3.255 . 0 0 "[ . 1]" 1
667 2 29 ASP HA 2 29 ASP QB 2.169 . 2.634 2.421 2.364 2.514 . 0 0 "[ . 1]" 1
668 2 30 SER HA 2 30 SER QB 1.972 . 2.458 2.252 2.180 2.421 . 0 0 "[ . 1]" 1
669 1 34 ALA MB 2 30 SER HA 5.000 . 5.500 4.094 3.944 4.264 . 0 0 "[ . 1]" 1
670 2 31 VAL HA 2 31 VAL MG1 3.300 . 5.000 2.237 2.216 2.255 . 0 0 "[ . 1]" 1
671 1 27 LYS QG 2 31 VAL MG1 3.300 . 5.000 1.883 1.771 2.074 . 0 0 "[ . 1]" 1
672 1 27 LYS QE 2 31 VAL MG1 3.300 . 5.000 4.084 3.515 4.426 . 0 0 "[ . 1]" 1
673 1 16 LEU HB2 2 31 VAL MG1 3.300 . 5.000 3.466 3.401 3.517 . 0 0 "[ . 1]" 1
674 2 33 ILE HA 2 33 ILE MG 3.300 . 5.000 2.518 2.465 2.660 . 0 0 "[ . 1]" 1
675 2 33 ILE HB 2 33 ILE MD 3.300 . 5.000 2.498 2.235 2.567 . 0 0 "[ . 1]" 1
676 1 16 LEU HA 2 33 ILE MD 3.300 . 5.000 2.320 2.112 2.497 . 0 0 "[ . 1]" 1
677 2 33 ILE HA 2 33 ILE MD 3.300 . 5.000 3.607 3.577 3.626 . 0 0 "[ . 1]" 1
678 1 19 ASP QB 2 33 ILE MD 3.300 . 5.000 2.302 2.096 2.739 . 0 0 "[ . 1]" 1
679 1 19 ASP QB 2 33 ILE MD 3.300 . 5.000 2.324 2.106 2.816 . 0 0 "[ . 1]" 1
680 1 19 ASP QB 2 33 ILE MG 3.300 . 5.000 1.866 1.508 2.352 0.092 8 0 "[ . 1]" 1
681 2 33 ILE MG 2 34 GLU QB 3.300 . 5.000 3.928 3.615 4.260 . 0 0 "[ . 1]" 1
682 2 34 GLU HA 2 34 GLU QB 1.893 . 2.341 2.380 2.366 2.404 0.063 3 0 "[ . 1]" 1
683 2 34 GLU HA 2 34 GLU QG 2.175 . 2.542 2.395 2.298 2.666 0.124 3 0 "[ . 1]" 1
684 2 34 GLU QB 2 34 GLU QG 1.876 . 2.123 2.072 1.997 2.084 . 0 0 "[ . 1]" 1
685 2 35 ALA HA 2 35 ALA MB . . 2.467 2.122 2.117 2.126 . 0 0 "[ . 1]" 1
686 2 4 TYR QE 2 35 ALA HA 2.966 . 4.065 2.602 2.201 3.103 . 0 0 "[ . 1]" 1
687 2 4 TYR HE1 2 35 ALA MB 2.151 . 2.729 1.901 1.836 1.988 . 0 0 "[ . 1]" 1
688 2 25 LYS HA 2 35 ALA MB 2.563 . 3.382 3.426 3.301 3.497 0.115 6 0 "[ . 1]" 1
689 2 28 LEU QB 2 35 ALA MB 3.300 . 5.000 3.203 3.086 3.317 . 0 0 "[ . 1]" 1
690 2 25 LYS HE2 2 35 ALA MB 2.359 . 2.808 2.788 2.472 3.606 0.798 6 1 "[ .+ 1]" 1
691 2 35 ALA MB 2 40 LEU MD2 1.981 . 2.443 2.053 1.936 2.147 . 0 0 "[ . 1]" 1
692 2 4 TYR QD 2 35 ALA MB 2.684 . 3.460 3.254 3.058 3.391 . 0 0 "[ . 1]" 1
693 2 25 LYS QD 2 35 ALA MB 2.144 . 2.674 2.085 1.749 2.247 . 0 0 "[ . 1]" 1
694 2 36 ASP QB 2 39 ARG HG2 2.656 . 3.500 1.981 1.859 2.090 . 0 0 "[ . 1]" 1
695 2 36 ASP HA 2 36 ASP QB 2.368 . 2.999 2.380 2.310 2.427 . 0 0 "[ . 1]" 1
696 2 37 ASP HA 2 37 ASP QB 1.919 . 2.234 2.275 2.168 2.408 0.174 5 0 "[ . 1]" 1
697 2 37 ASP HA 2 40 LEU QB 3.300 . 5.000 4.540 4.391 4.644 . 0 0 "[ . 1]" 1
698 2 37 ASP HA 2 40 LEU MD1 2.126 . 2.691 1.657 1.603 1.683 0.151 3 0 "[ . 1]" 1
699 2 38 ASP HA 2 42 LYS QB 3.300 . 5.000 4.511 4.271 4.841 . 0 0 "[ . 1]" 1
700 2 38 ASP HA 2 40 LEU MD1 2.507 . 3.292 3.500 3.442 3.548 0.256 8 0 "[ . 1]" 1
701 2 38 ASP HA 2 38 ASP QB 1.864 . 2.174 2.319 2.280 2.360 0.186 10 0 "[ . 1]" 1
702 2 39 ARG HA 2 39 ARG QD 2.333 . 2.520 2.408 2.122 2.552 0.032 9 0 "[ . 1]" 1
703 2 38 ASP QB 2 39 ARG HA 3.300 . 5.000 3.946 3.712 4.240 . 0 0 "[ . 1]" 1
704 2 39 ARG HD2 2 39 ARG HG2 1.949 . 2.297 2.295 2.221 2.342 0.045 8 0 "[ . 1]" 1
705 2 40 LEU HA 2 40 LEU QB 2.633 . 3.184 2.126 2.106 2.134 . 0 0 "[ . 1]" 1
706 2 40 LEU HA 2 42 LYS QG 3.300 . 5.000 4.805 4.097 5.199 0.199 2 0 "[ . 1]" 1
707 2 40 LEU HA 2 40 LEU QD 2.800 . 3.275 3.325 3.298 3.354 0.079 10 0 "[ . 1]" 1
708 2 25 LYS QE 2 40 LEU MD2 2.460 . 3.183 3.153 2.001 3.409 0.226 6 0 "[ . 1]" 1
709 2 21 ALA HA 2 40 LEU MD1 2.243 . 2.872 2.442 2.276 2.541 . 0 0 "[ . 1]" 1
710 2 4 TYR QD 2 40 LEU MD2 2.269 . 2.913 2.977 2.898 3.032 0.119 8 0 "[ . 1]" 1
711 2 24 ILE HB 2 40 LEU MD2 3.300 . 5.000 1.857 1.740 1.971 . 0 0 "[ . 1]" 1
712 2 21 ALA HA 2 40 LEU QD 2.351 . 2.985 2.482 2.369 2.565 . 0 0 "[ . 1]" 1
713 2 25 LYS QD 2 40 LEU MD2 2.018 . 2.527 1.666 1.472 2.538 0.215 10 0 "[ . 1]" 1
714 2 40 LEU QD 2 40 LEU HG 1.888 . 2.310 1.880 1.872 1.886 . 0 0 "[ . 1]" 1
715 2 4 TYR QE 2 40 LEU MD2 2.489 . 3.263 3.235 3.141 3.286 0.023 6 0 "[ . 1]" 1
716 2 41 ASN HA 2 41 ASN QB 2.118 . 2.427 2.380 2.346 2.431 0.004 9 0 "[ . 1]" 1
717 2 41 ASN HA 2 44 ILE MG 2.582 . 3.415 3.478 3.414 3.524 0.109 6 0 "[ . 1]" 1
718 2 41 ASN HA 2 44 ILE MD 3.200 . 3.276 3.061 2.351 3.453 0.177 8 0 "[ . 1]" 1
719 2 43 VAL HA 2 43 VAL QG 2.220 . 2.314 2.233 2.208 2.259 . 0 0 "[ . 1]" 1
720 2 43 VAL HB 2 43 VAL QG . . 2.272 1.885 1.876 1.890 . 0 0 "[ . 1]" 1
721 2 4 TYR HA 2 43 VAL QG 3.300 . 5.000 3.914 3.672 4.130 . 0 0 "[ . 1]" 1
722 2 4 TYR QE 2 43 VAL MG1 3.300 . 5.000 4.130 4.077 4.185 . 0 0 "[ . 1]" 1
723 2 4 TYR QD 2 43 VAL MG1 2.225 . 2.844 2.904 2.732 2.944 0.100 7 0 "[ . 1]" 1
724 2 43 VAL MG2 2 47 LEU QD 2.120 . 2.682 2.029 1.875 2.120 . 0 0 "[ . 1]" 1
725 2 44 ILE HA 2 44 ILE QG 2.612 . 3.058 2.718 2.163 3.069 0.011 5 0 "[ . 1]" 1
726 2 44 ILE HA 2 44 ILE MD 3.300 . 5.000 2.699 2.010 3.681 . 0 0 "[ . 1]" 1
727 2 44 ILE HA 2 47 LEU MD1 3.300 . 5.000 4.322 4.029 4.682 . 0 0 "[ . 1]" 1
728 2 44 ILE HA 2 44 ILE MG 2.216 . 2.461 2.490 2.409 2.586 0.125 4 0 "[ . 1]" 1
729 2 44 ILE HB 2 44 ILE MG 2.031 . 2.198 2.104 2.088 2.113 . 0 0 "[ . 1]" 1
730 2 44 ILE HB 2 44 ILE QG 2.250 . 2.883 2.263 2.155 2.425 . 0 0 "[ . 1]" 1
731 2 44 ILE HB 2 44 ILE MD 2.800 2.036 3.110 2.811 2.233 3.187 0.077 5 0 "[ . 1]" 1
732 2 24 ILE HA 2 44 ILE MD 4.500 2.800 5.000 4.652 4.543 4.742 . 0 0 "[ . 1]" 1
733 2 20 SER HA 2 44 ILE MD 2.577 . 2.914 2.197 2.034 2.316 . 0 0 "[ . 1]" 1
734 2 8 TYR HD2 2 44 ILE MD 2.300 . 2.600 2.213 1.714 2.885 0.285 1 0 "[ . 1]" 1
735 2 8 TYR HE2 2 44 ILE MG 2.075 . 2.613 2.054 1.726 2.468 . 0 0 "[ . 1]" 1
736 2 44 ILE MD 2 44 ILE MG 1.663 . 2.009 2.042 2.006 2.081 0.072 3 0 "[ . 1]" 1
737 2 41 ASN HA 2 44 ILE MG 2.800 . 5.000 2.908 2.864 2.963 . 0 0 "[ . 1]" 1
738 2 44 ILE QG 2 44 ILE MG 1.899 . 2.310 2.166 2.123 2.199 . 0 0 "[ . 1]" 1
739 2 20 SER HA 2 44 ILE MG 2.509 . 3.002 2.102 1.837 2.255 . 0 0 "[ . 1]" 1
740 2 20 SER QB 2 44 ILE MG 2.382 . 3.091 3.119 3.089 3.150 0.059 4 0 "[ . 1]" 1
741 2 44 ILE MG 2 45 SER HA 2.611 . 3.348 3.119 3.047 3.198 . 0 0 "[ . 1]" 1
742 2 45 SER HA 2 45 SER QB 1.783 . 2.180 2.292 2.181 2.345 0.165 10 0 "[ . 1]" 1
743 2 45 SER HA 2 48 ASN QB 2.457 . 3.056 2.830 2.391 3.111 0.055 3 0 "[ . 1]" 1
744 2 46 GLU HA 2 46 GLU QB 1.986 . 2.479 2.366 2.306 2.412 . 0 0 "[ . 1]" 1
745 2 46 GLU HA 2 46 GLU QG 2.200 . 2.592 2.545 2.327 2.849 0.257 4 0 "[ . 1]" 1
746 2 47 LEU HA 2 47 LEU MD2 2.300 . 2.600 2.145 1.825 2.299 . 0 0 "[ . 1]" 1
747 2 47 LEU HA 2 47 LEU QB 2.620 . 2.982 2.381 2.264 2.498 . 0 0 "[ . 1]" 1
748 2 47 LEU HA 2 47 LEU MD1 2.732 . 3.665 3.053 2.217 3.751 0.086 2 0 "[ . 1]" 1
749 2 47 LEU QB 2 47 LEU QD . . 2.060 1.991 1.948 2.037 . 0 0 "[ . 1]" 1
750 2 46 GLU QB 2 47 LEU QD 2.375 . 3.080 2.554 2.334 2.879 . 0 0 "[ . 1]" 1
751 2 8 TYR QR 2 47 LEU MD1 2.349 . 3.039 2.401 2.286 2.524 . 0 0 "[ . 1]" 1
752 2 47 LEU QD 2 47 LEU HG 1.801 . 2.207 1.897 1.892 1.908 . 0 0 "[ . 1]" 1
753 2 43 VAL HA 2 47 LEU QD 2.664 . 3.551 3.161 3.014 3.313 . 0 0 "[ . 1]" 1
754 2 47 LEU HA 2 47 LEU QD 2.542 . 3.186 2.071 1.791 2.279 0.010 10 0 "[ . 1]" 1
755 2 5 VAL HA 2 47 LEU MD1 2.343 . 3.029 2.335 1.596 3.054 0.092 9 0 "[ . 1]" 1
756 2 48 ASN HA 2 48 ASN QB . . 2.260 2.340 2.281 2.402 0.142 4 0 "[ . 1]" 1
757 2 50 LYS HA 2 50 LYS QB 2.419 . 2.754 2.528 2.496 2.544 . 0 0 "[ . 1]" 1
758 2 50 LYS QB 2 55 VAL MG2 2.806 2.321 2.917 2.472 2.106 2.936 0.215 2 0 "[ . 1]" 1
759 2 50 LYS QB 2 50 LYS QG 2.211 . 2.822 2.006 1.996 2.014 . 0 0 "[ . 1]" 1
760 2 51 ASN HA 2 51 ASN QB 2.297 . 2.956 2.389 2.313 2.451 . 0 0 "[ . 1]" 1
761 2 52 ILE HA 2 52 ILE MD 2.021 . 2.454 2.524 2.508 2.538 0.084 4 0 "[ . 1]" 1
762 2 52 ILE HB 2 52 ILE QG 2.271 . 2.731 2.389 2.381 2.397 . 0 0 "[ . 1]" 1
763 2 52 ILE HB 2 52 ILE MD 1.919 . 2.379 2.414 2.385 2.441 0.062 3 0 "[ . 1]" 1
764 2 52 ILE MD 2 52 ILE QG 1.818 . 2.143 1.877 1.874 1.883 . 0 0 "[ . 1]" 1
765 2 52 ILE MG 2 53 GLU QG 2.190 . 2.790 2.667 2.496 2.849 0.059 1 0 "[ . 1]" 1
766 2 8 TYR HD1 2 52 ILE MG 3.300 . 5.000 4.167 4.031 4.440 . 0 0 "[ . 1]" 1
767 2 52 ILE HB 2 52 ILE MG 1.729 . 2.103 2.119 2.116 2.122 0.019 1 0 "[ . 1]" 1
768 2 52 ILE QG 2 52 ILE MG 1.745 . 2.125 2.068 2.064 2.076 . 0 0 "[ . 1]" 1
769 2 52 ILE HA 2 52 ILE MG 1.914 . 2.372 2.531 2.516 2.546 0.174 3 0 "[ . 1]" 1
770 2 53 GLU HA 2 56 ILE MD 2.800 . 3.307 3.410 3.368 3.460 0.153 7 0 "[ . 1]" 1
771 2 53 GLU HA 2 53 GLU QG 2.287 . 2.661 2.415 2.132 2.532 . 0 0 "[ . 1]" 1
772 2 53 GLU HA 2 53 GLU QB 2.073 . 2.467 2.370 2.319 2.501 0.034 1 0 "[ . 1]" 1
773 2 53 GLU QB 2 53 GLU HG2 1.781 . 1.966 2.139 2.026 2.354 0.388 6 0 "[ . 1]" 1
774 1 4 VAL MG2 2 53 GLU HG2 2.343 . 3.029 2.082 1.771 2.441 . 0 0 "[ . 1]" 1
775 2 54 ASP HA 2 54 ASP QB 2.224 . 2.347 2.290 2.223 2.355 0.008 6 0 "[ . 1]" 1
776 2 54 ASP HA 2 57 ALA MB 2.383 . 2.415 2.035 1.855 2.159 . 0 0 "[ . 1]" 1
777 2 55 VAL HB 2 55 VAL QG 2.092 . 2.279 1.891 1.889 1.893 . 0 0 "[ . 1]" 1
778 2 8 TYR HD1 2 55 VAL QG 3.300 . 5.000 4.507 4.479 4.543 . 0 0 "[ . 1]" 1
779 2 47 LEU QD 2 55 VAL QG 2.697 . 3.448 3.218 2.932 3.455 0.007 8 0 "[ . 1]" 1
780 2 55 VAL HA 2 55 VAL QG 1.981 . 2.364 2.159 2.153 2.166 . 0 0 "[ . 1]" 1
781 2 52 ILE HA 2 55 VAL MG2 3.300 . 5.000 2.482 2.375 2.669 . 0 0 "[ . 1]" 1
782 2 56 ILE HB 2 56 ILE QG 2.608 . 3.238 2.424 2.405 2.449 . 0 0 "[ . 1]" 1
783 2 56 ILE HB 2 56 ILE MG 1.813 . 2.224 2.138 2.130 2.147 . 0 0 "[ . 1]" 1
784 2 56 ILE QG 2 56 ILE MG 1.857 . 2.288 2.081 2.051 2.110 . 0 0 "[ . 1]" 1
785 2 56 ILE HA 2 56 ILE MG 1.974 . 2.461 2.348 2.278 2.478 0.017 1 0 "[ . 1]" 1
786 2 56 ILE MG 2 60 ILE HG13 1.908 . 2.363 2.290 2.181 2.418 0.055 1 0 "[ . 1]" 1
787 2 57 ALA HA 2 57 ALA MB 1.969 . 2.067 2.119 2.111 2.126 0.059 10 0 "[ . 1]" 1
788 2 57 ALA MB 2 58 GLN QG 2.400 . 3.109 3.059 2.971 3.114 0.005 1 0 "[ . 1]" 1
789 2 58 GLN HA 2 58 GLN QB 1.874 . 2.313 2.368 2.350 2.400 0.087 7 0 "[ . 1]" 1
790 2 58 GLN HA 2 58 GLN QG 2.133 . 2.474 2.507 2.402 2.681 0.207 10 0 "[ . 1]" 1
791 2 57 ALA MB 2 58 GLN HA 3.300 . 5.000 4.397 4.332 4.436 . 0 0 "[ . 1]" 1
792 2 55 VAL HA 2 58 GLN QB 3.300 . 5.000 5.053 4.889 5.129 0.129 7 0 "[ . 1]" 1
793 2 58 GLN QB 2 58 GLN HG2 2.054 . 2.381 2.121 2.103 2.128 . 0 0 "[ . 1]" 1
794 2 60 ILE HA 2 60 ILE MG 2.113 . 2.308 2.481 2.464 2.504 0.196 5 0 "[ . 1]" 1
795 2 60 ILE HA 2 60 ILE MD 2.071 . 2.491 2.608 2.587 2.645 0.154 1 0 "[ . 1]" 1
796 2 60 ILE HB 2 60 ILE QG 2.275 . 2.922 2.372 2.364 2.387 . 0 0 "[ . 1]" 1
797 2 60 ILE HB 2 60 ILE MD 1.937 . 2.220 2.319 2.302 2.335 0.115 9 0 "[ . 1]" 1
798 2 60 ILE HB 2 60 ILE MG 1.969 . 2.385 2.073 2.063 2.081 . 0 0 "[ . 1]" 1
799 2 60 ILE MD 2 60 ILE QG 1.726 . 2.071 1.871 1.865 1.873 . 0 0 "[ . 1]" 1
800 1 11 TYR HE1 2 60 ILE MD 3.300 . 5.000 4.840 4.721 5.004 0.004 6 0 "[ . 1]" 1
801 2 60 ILE QG 2 60 ILE MG 2.107 . 2.295 1.993 1.962 2.012 . 0 0 "[ . 1]" 1
802 1 11 TYR HE1 2 60 ILE MG 3.300 . 5.000 5.138 5.111 5.165 0.165 6 0 "[ . 1]" 1
803 2 62 LYS HA 2 62 LYS QG 2.103 . 2.652 2.438 2.146 2.864 0.212 9 0 "[ . 1]" 1
804 2 62 LYS HA 2 62 LYS QB 1.897 . 2.338 2.396 2.325 2.437 0.099 3 0 "[ . 1]" 1
805 2 63 LEU HA 2 63 LEU QB 2.139 . 2.547 2.453 2.409 2.491 . 0 0 "[ . 1]" 1
806 2 63 LEU HA 2 63 LEU MD1 1.919 . 2.263 2.376 2.333 2.402 0.139 1 0 "[ . 1]" 1
807 2 63 LEU QB 2 63 LEU HG 1.835 . 2.256 2.336 2.302 2.374 0.118 3 0 "[ . 1]" 1
808 2 63 LEU QB 2 63 LEU MD2 1.998 . 2.292 2.068 2.051 2.092 . 0 0 "[ . 1]" 1
809 2 63 LEU QD 2 63 LEU HG 1.763 . 2.138 1.883 1.879 1.888 . 0 0 "[ . 1]" 1
810 1 14 LEU HA 2 63 LEU QD 2.346 . 3.034 2.749 2.620 2.945 . 0 0 "[ . 1]" 1
811 1 14 LEU HB3 2 63 LEU MD2 2.342 . 2.999 2.272 1.840 2.722 . 0 0 "[ . 1]" 1
812 2 64 ALA HA 2 64 ALA MB 1.716 . 1.946 2.087 2.078 2.094 0.148 9 0 "[ . 1]" 1
813 2 65 SER HA 2 65 SER QB . . 1.988 2.175 2.152 2.237 0.249 5 0 "[ . 1]" 1
814 2 66 VAL HA 2 67 PRO QD 1.957 . 1.989 1.749 1.525 2.050 0.061 7 0 "[ . 1]" 1
815 2 66 VAL HA 2 66 VAL QG 1.957 . 2.250 2.142 2.080 2.300 0.050 7 0 "[ . 1]" 1
816 2 66 VAL HB 2 67 PRO QD 2.794 . 3.770 3.844 3.560 4.000 0.230 9 0 "[ . 1]" 1
817 2 66 VAL HB 2 66 VAL QG 1.993 . 2.037 1.891 1.887 1.892 . 0 0 "[ . 1]" 1
818 2 66 VAL QG 2 67 PRO QD 2.048 . 2.572 2.152 1.796 2.423 0.043 7 0 "[ . 1]" 1
819 2 67 PRO HA 2 67 PRO QD 2.166 . 2.288 2.515 2.443 2.562 0.274 9 0 "[ . 1]" 1
820 2 67 PRO QD 2 67 PRO QG 2.328 . 2.348 1.955 1.951 1.967 . 0 0 "[ . 1]" 1
821 2 67 PRO QB 2 67 PRO QG 2.058 . 2.276 1.949 1.944 1.960 . 0 0 "[ . 1]" 1
822 1 7 LEU QD 2 56 ILE QG 2.914 . 3.975 3.977 3.835 4.055 0.080 5 0 "[ . 1]" 1
823 2 9 LEU HG 2 56 ILE QG 3.300 . 5.000 2.668 2.392 2.968 . 0 0 "[ . 1]" 1
824 1 1 MET QG 2 53 GLU QG 3.300 . 5.000 4.426 3.846 4.852 . 0 0 "[ . 1]" 1
825 1 1 MET ME 1 1 MET QG 2.631 . 3.496 2.312 2.190 2.424 . 0 0 "[ . 1]" 1
826 1 2 ALA MB 1 7 LEU HG 3.300 . 5.000 4.114 4.052 4.180 . 0 0 "[ . 1]" 1
827 1 2 ALA MB 1 6 GLU HB2 2.800 . 5.000 3.144 2.550 4.463 . 0 0 "[ . 1]" 1
828 1 4 VAL QG 1 7 LEU MD2 2.308 . 2.974 3.050 3.001 3.110 0.136 1 0 "[ . 1]" 1
829 1 6 GLU HA 1 6 GLU QB 2.447 . 3.196 2.332 2.311 2.362 . 0 0 "[ . 1]" 1
830 1 7 LEU HA 1 10 ILE MD 2.491 . 3.216 1.644 1.598 1.683 0.117 3 0 "[ . 1]" 1
831 1 7 LEU QD 1 7 LEU HG 2.123 . 2.686 1.883 1.878 1.887 . 0 0 "[ . 1]" 1
832 1 8 ALA MB 1 32 ILE QG 5.000 . 5.500 3.391 3.062 3.482 . 0 0 "[ . 1]" 1
833 1 9 CYS HA 1 28 ILE MG 4.000 . 4.300 2.858 2.704 3.007 . 0 0 "[ . 1]" 1
834 1 6 GLU QB 1 10 ILE MD 2.800 . 5.000 3.562 3.273 4.066 . 0 0 "[ . 1]" 1
835 1 10 ILE MD 1 10 ILE MG 2.171 . 2.515 1.917 1.876 1.951 . 0 0 "[ . 1]" 1
836 1 7 LEU MD1 1 10 ILE MD 2.448 . 3.197 1.657 1.541 1.714 0.158 6 0 "[ . 1]" 1
837 1 10 ILE MG 1 14 LEU HG 3.300 . 5.000 3.784 3.720 3.834 . 0 0 "[ . 1]" 1
838 1 7 LEU HA 1 10 ILE MG 2.517 . 3.309 3.482 3.415 3.537 0.228 10 0 "[ . 1]" 1
839 1 10 ILE MG 1 59 LEU QD 2.483 . 3.253 2.004 1.835 2.146 . 0 0 "[ . 1]" 1
840 1 11 TYR HA 1 11 TYR QB 2.583 . 3.417 2.369 2.354 2.377 . 0 0 "[ . 1]" 1
841 1 14 LEU HA 1 14 LEU QB 2.374 . 3.079 2.496 2.488 2.504 . 0 0 "[ . 1]" 1
842 1 13 ALA MB 1 14 LEU HA 2.582 . 3.415 3.522 3.466 3.586 0.171 2 0 "[ . 1]" 1
843 1 14 LEU QD 1 14 LEU HG . . 1.667 1.861 1.858 1.863 0.196 3 0 "[ . 1]" 1
844 1 14 LEU QB 1 14 LEU MD2 2.167 . 2.420 2.062 2.053 2.070 . 0 0 "[ . 1]" 1
845 1 14 LEU QD 1 56 ILE MG 2.208 . 2.818 2.374 2.198 2.588 . 0 0 "[ . 1]" 1
846 1 14 LEU QD 1 56 ILE MD 2.568 . 3.392 1.573 1.407 1.700 0.337 2 0 "[ . 1]" 1
847 1 15 ILE MD 1 15 ILE MG 2.161 . 2.745 1.840 1.782 1.893 . 0 0 "[ . 1]" 1
848 1 15 ILE HB 1 15 ILE MD 2.398 . 3.117 3.181 3.160 3.194 0.077 3 0 "[ . 1]" 1
849 1 15 ILE MG 1 31 LEU QD 5.000 . 5.500 3.029 2.891 3.176 . 0 0 "[ . 1]" 1
850 1 15 ILE MG 1 31 LEU QD 5.000 . 5.500 3.067 2.909 3.231 . 0 0 "[ . 1]" 1
851 1 16 LEU HA 1 16 LEU QB 2.502 . 3.285 2.512 2.501 2.522 . 0 0 "[ . 1]" 1
852 1 16 LEU MD1 1 27 LYS QD 2.556 . 3.372 2.934 2.204 3.467 0.095 6 0 "[ . 1]" 1
853 1 16 LEU QB 1 16 LEU QD 2.549 . 3.361 1.948 1.927 1.961 . 0 0 "[ . 1]" 1
854 1 20 GLU HA 1 20 GLU QB 1.995 . 2.492 2.388 2.360 2.435 . 0 0 "[ . 1]" 1
855 1 20 GLU QB 1 20 GLU HG3 2.081 . 2.195 2.114 2.097 2.125 . 0 0 "[ . 1]" 1
856 1 21 VAL HB 1 22 THR MG 3.300 . 5.500 5.208 5.073 5.444 . 0 0 "[ . 1]" 1
857 1 22 THR MG 1 23 VAL HA 3.300 . 5.500 5.477 5.416 5.508 0.008 2 0 "[ . 1]" 1
858 1 23 VAL MG1 1 28 ILE MD 3.600 . 3.900 2.645 2.333 2.955 . 0 0 "[ . 1]" 1
859 1 23 VAL MG1 1 48 ALA MB 2.189 . 2.788 2.657 2.588 2.731 . 0 0 "[ . 1]" 1
860 1 23 VAL QG 1 51 LEU QD 2.335 . 3.016 2.306 2.030 2.868 . 0 0 "[ . 1]" 1
861 1 23 VAL MG1 1 48 ALA MB 2.163 . 2.748 2.699 2.642 2.764 0.016 5 0 "[ . 1]" 1
862 1 24 THR MG 1 27 LYS QE 2.284 . 2.936 2.858 2.702 3.031 0.095 2 0 "[ . 1]" 1
863 1 24 THR HA 1 24 THR MG 1.926 . 2.369 2.382 2.343 2.434 0.065 2 0 "[ . 1]" 1
864 1 24 THR MG 1 26 ASP QB 3.300 . 5.000 4.482 3.914 4.959 . 0 0 "[ . 1]" 1
865 1 28 ILE HA 1 31 LEU MD2 3.300 . 3.600 2.142 1.949 2.450 . 0 0 "[ . 1]" 1
866 1 31 LEU HA 1 34 ALA MB 5.000 . 5.500 2.673 2.370 2.946 . 0 0 "[ . 1]" 1
867 1 30 ALA MB 1 31 LEU QD 5.000 . 5.500 1.771 1.654 1.945 . 0 0 "[ . 1]" 1
868 1 31 LEU MD1 1 34 ALA MB 5.000 . 5.500 2.132 2.037 2.236 . 0 0 "[ . 1]" 1
869 1 15 ILE MD 1 31 LEU QD 5.000 . 5.500 3.337 3.241 3.426 . 0 0 "[ . 1]" 1
870 1 12 SER HA 1 31 LEU MD2 5.000 . 5.500 3.160 2.858 3.326 . 0 0 "[ . 1]" 1
871 1 16 LEU QB 1 31 LEU MD2 5.000 . 5.500 3.365 3.156 3.594 . 0 0 "[ . 1]" 1
872 1 32 ILE MD 1 39 VAL MG2 3.300 . 3.800 2.242 2.092 2.343 . 0 0 "[ . 1]" 1
873 1 32 ILE MD 1 44 PRO HB2 4.000 2.300 4.300 4.300 4.180 4.440 0.140 3 0 "[ . 1]" 1
874 1 32 ILE MG 1 33 LYS HA 5.000 . 5.500 2.968 2.898 3.053 . 0 0 "[ . 1]" 1
875 1 33 LYS QD 1 33 LYS QG 1.793 . 2.195 2.079 2.018 2.089 . 0 0 "[ . 1]" 1
876 1 8 ALA MB 1 37 VAL HB 3.300 . 5.000 3.937 3.877 3.997 . 0 0 "[ . 1]" 1
877 1 4 VAL MG1 1 37 VAL MG2 1.983 . 2.475 2.001 1.938 2.070 . 0 0 "[ . 1]" 1
878 1 8 ALA MB 1 39 VAL HA 3.300 . 5.000 3.908 3.670 4.141 . 0 0 "[ . 1]" 1
879 1 8 ALA MB 1 39 VAL HB 3.300 . 5.000 4.589 4.512 4.654 . 0 0 "[ . 1]" 1
880 1 32 ILE HB 1 39 VAL MG2 5.000 . 5.500 4.505 4.350 4.729 . 0 0 "[ . 1]" 1
881 1 39 VAL MG1 1 43 TRP HA 3.300 . 5.000 4.433 4.379 4.509 . 0 0 "[ . 1]" 1
882 1 5 SER HA 1 39 VAL QG 2.162 . 2.746 2.601 2.459 2.688 . 0 0 "[ . 1]" 1
883 1 32 ILE MG 1 39 VAL MG2 5.000 . 5.500 2.982 2.640 3.218 . 0 0 "[ . 1]" 1
884 1 41 PRO QB 1 41 PRO HG2 . . 2.231 2.144 2.139 2.152 . 0 0 "[ . 1]" 1
885 1 44 PRO HA 1 47 PHE QB 2.596 . 3.438 2.528 2.479 2.559 . 0 0 "[ . 1]" 1
886 1 46 LEU QD 1 46 LEU HG 2.157 . 2.738 1.897 1.894 1.899 . 0 0 "[ . 1]" 1
887 1 46 LEU MD1 1 47 PHE HA 2.310 . 2.977 2.901 2.481 3.034 0.057 10 0 "[ . 1]" 1
888 1 49 LYS HA 1 52 ALA MB 5.000 . 5.500 4.159 3.760 4.584 . 0 0 "[ . 1]" 1
889 1 49 LYS QE 1 49 LYS HG3 1.856 . 2.287 2.291 2.230 2.331 0.044 2 0 "[ . 1]" 1
890 1 51 LEU QD 1 51 LEU HG 1.803 . 2.209 1.897 1.887 1.902 . 0 0 "[ . 1]" 1
891 1 13 ALA MB 1 51 LEU QD 2.453 . 3.205 1.772 1.615 2.258 0.086 7 0 "[ . 1]" 1
892 1 47 PHE HA 1 51 LEU MD1 2.450 . 3.200 2.637 2.332 2.842 . 0 0 "[ . 1]" 1
893 1 28 ILE MD 1 51 LEU MD1 2.491 . 3.267 2.318 2.076 3.016 . 0 0 "[ . 1]" 1
894 1 51 LEU QD 1 56 ILE HB 2.499 . 3.279 3.388 3.300 3.458 0.179 3 0 "[ . 1]" 1
895 1 56 ILE HA 1 56 ILE MG 2.409 . 3.135 3.208 3.187 3.221 0.086 4 0 "[ . 1]" 1
896 1 10 ILE MG 1 56 ILE MD 2.355 . 3.048 2.822 2.420 3.051 0.003 2 0 "[ . 1]" 1
897 1 56 ILE MD 1 56 ILE MG 2.800 . 5.000 3.130 3.108 3.152 . 0 0 "[ . 1]" 1
898 1 56 ILE MD 1 59 LEU QD 2.277 . 2.925 1.753 1.652 1.882 . 0 0 "[ . 1]" 1
899 1 56 ILE MD 1 59 LEU HG 2.328 . 3.005 2.913 2.752 3.025 0.020 5 0 "[ . 1]" 1
900 1 58 SER HA 1 61 CYS QB 2.497 . 3.276 3.129 2.797 3.328 0.052 6 0 "[ . 1]" 1
901 1 59 LEU HA 1 62 ASN QB 2.626 . 3.488 3.407 2.975 3.565 0.077 3 0 "[ . 1]" 1
902 1 50 ALA MB 1 59 LEU QD 5.000 . 5.500 3.667 3.212 4.052 . 0 0 "[ . 1]" 1
903 1 60 ILE HA 1 60 ILE MD 2.722 . 3.648 3.584 3.559 3.624 . 0 0 "[ . 1]" 1
904 1 60 ILE HA 1 60 ILE MG 2.319 . 2.991 2.901 2.849 2.925 . 0 0 "[ . 1]" 1
905 1 60 ILE HB 1 60 ILE MD 2.407 . 2.496 2.205 2.182 2.226 . 0 0 "[ . 1]" 1
906 1 60 ILE MD 1 60 ILE MG 1.837 . 2.259 2.254 2.228 2.277 0.018 10 0 "[ . 1]" 1
907 1 57 GLY QA 1 60 ILE MD 2.658 . 3.091 2.793 2.520 3.075 . 0 0 "[ . 1]" 1
908 1 63 VAL HA 1 64 GLY QA 3.300 . 5.000 4.024 3.939 4.164 . 0 0 "[ . 1]" 1
909 1 68 PRO HA 1 68 PRO QB 2.408 . 3.133 2.195 2.178 2.213 . 0 0 "[ . 1]" 1
910 1 67 GLY QA 1 68 PRO HA 3.300 . 5.000 4.113 4.020 4.261 . 0 0 "[ . 1]" 1
911 1 14 LEU HB3 2 2 MET ME 2.557 . 3.374 2.091 1.988 2.269 . 0 0 "[ . 1]" 1
912 2 5 VAL HA 2 8 TYR QB 2.629 . 3.493 2.731 2.560 2.877 . 0 0 "[ . 1]" 1
913 2 9 LEU QD 2 56 ILE MD 3.300 . 5.000 1.861 1.758 2.060 . 0 0 "[ . 1]" 1
914 2 9 LEU MD1 2 52 ILE MG 2.223 . 2.841 2.260 2.125 2.450 . 0 0 "[ . 1]" 1
915 2 9 LEU MD2 2 56 ILE QG 3.300 . 5.000 2.169 1.969 2.354 . 0 0 "[ . 1]" 1
916 2 9 LEU MD2 2 56 ILE MG 3.300 . 5.000 3.557 3.434 3.801 . 0 0 "[ . 1]" 1
917 2 10 LEU HA 2 10 LEU QB 2.371 . 3.074 2.497 2.485 2.525 . 0 0 "[ . 1]" 1
918 2 10 LEU QD 2 27 ILE MG 3.300 . 5.000 2.076 1.824 2.552 . 0 0 "[ . 1]" 1
919 2 11 ALA MB 2 19 PRO QB 2.241 . 2.869 1.853 1.742 1.991 . 0 0 "[ . 1]" 1
920 2 11 ALA MB 2 24 ILE MD 3.300 . 5.000 3.328 3.171 3.508 . 0 0 "[ . 1]" 1
921 2 12 ALA MB 2 52 ILE HG12 2.148 . 2.725 1.713 1.579 1.855 . 0 0 "[ . 1]" 1
922 1 4 VAL HB 2 13 LEU QD 3.300 . 5.000 4.106 4.001 4.228 . 0 0 "[ . 1]" 1
923 2 11 ALA MB 2 19 PRO HA 2.616 . 3.472 3.250 3.207 3.310 . 0 0 "[ . 1]" 1
924 2 19 PRO HA 2 19 PRO QD 2.671 . 3.410 3.443 3.430 3.462 0.052 10 0 "[ . 1]" 1
925 2 11 ALA MB 2 19 PRO QG 2.615 . 3.470 2.165 2.061 2.320 . 0 0 "[ . 1]" 1
926 2 20 SER HA 2 21 ALA MB 3.300 . 5.000 4.192 4.154 4.216 . 0 0 "[ . 1]" 1
927 2 21 ALA MB 2 40 LEU QB 2.371 . 3.074 3.195 3.152 3.237 0.163 7 0 "[ . 1]" 1
928 2 21 ALA MB 2 24 ILE HB 5.000 . 5.500 3.535 3.405 3.680 . 0 0 "[ . 1]" 1
929 2 21 ALA MB 2 40 LEU MD1 2.150 . 2.728 1.566 1.505 1.700 0.067 8 0 "[ . 1]" 1
930 2 21 ALA MB 2 22 LYS QD 2.067 . 2.476 2.298 2.123 2.434 . 0 0 "[ . 1]" 1
931 2 22 LYS HA 2 22 LYS QG 2.182 . 2.777 2.380 2.327 2.424 . 0 0 "[ . 1]" 1
932 2 22 LYS HA 2 22 LYS QD 2.035 . 2.552 2.587 2.533 2.625 0.073 7 0 "[ . 1]" 1
933 2 22 LYS QB 2 22 LYS HG3 1.995 . 2.237 2.127 2.123 2.132 . 0 0 "[ . 1]" 1
934 2 22 LYS HB2 2 22 LYS QD 1.846 . 2.272 2.358 2.324 2.412 0.140 6 0 "[ . 1]" 1
935 2 22 LYS HD2 2 22 LYS HG2 1.555 . 1.857 2.257 2.227 2.335 0.478 6 0 "[ . 1]" 1
936 2 22 LYS HE2 2 22 LYS HG2 2.065 . 2.598 2.357 2.163 2.828 0.230 8 0 "[ . 1]" 1
937 2 23 ASP HA 2 26 LYS QD 3.300 . 5.000 4.129 1.925 5.012 0.012 4 0 "[ . 1]" 1
938 2 24 ILE HA 2 27 ILE MD 4.100 2.400 4.400 3.421 3.060 3.739 . 0 0 "[ . 1]" 1
939 2 9 LEU HA 2 24 ILE MD 3.300 . 5.000 4.771 4.627 4.896 . 0 0 "[ . 1]" 1
940 2 19 PRO QD 2 24 ILE MD 3.300 . 5.000 4.675 4.568 4.775 . 0 0 "[ . 1]" 1
941 2 24 ILE MG 2 40 LEU MD2 3.300 . 5.000 2.159 2.038 2.299 . 0 0 "[ . 1]" 1
942 2 24 ILE MG 2 28 LEU MD2 3.300 . 5.000 1.703 1.565 1.802 0.035 6 0 "[ . 1]" 1
943 2 25 LYS HA 2 25 LYS QB 2.124 . 2.688 2.419 2.389 2.480 . 0 0 "[ . 1]" 1
944 2 25 LYS QD 2 25 LYS HE3 1.961 . 2.136 2.103 2.092 2.121 . 0 0 "[ . 1]" 1
945 2 25 LYS QB 2 25 LYS HE3 2.318 . 2.902 2.906 1.903 3.887 0.985 6 1 "[ .+ 1]" 1
946 2 26 LYS QB 2 26 LYS HD3 2.056 . 2.278 2.337 2.132 2.816 0.538 1 1 "[+ . 1]" 1
947 2 26 LYS QD 2 26 LYS HE3 1.909 . 2.365 2.128 2.116 2.134 . 0 0 "[ . 1]" 1
948 2 26 LYS QD 2 27 ILE HA 3.300 . 5.000 4.637 2.853 5.137 0.137 9 0 "[ . 1]" 1
949 2 7 SER HA 2 27 ILE MD 3.300 . 5.000 3.204 2.816 3.455 . 0 0 "[ . 1]" 1
950 2 10 LEU QD 2 27 ILE MD 5.000 . 5.300 3.597 3.291 4.108 . 0 0 "[ . 1]" 1
951 2 26 LYS QD 2 27 ILE MD 3.300 . 5.000 3.655 1.584 4.466 0.016 5 0 "[ . 1]" 1
952 2 27 ILE MD 2 27 ILE MG 3.300 . 5.000 3.240 3.153 3.259 . 0 0 "[ . 1]" 1
953 2 24 ILE MG 2 28 LEU MD2 3.300 . 5.000 1.784 1.600 1.949 . 0 0 "[ . 1]" 1
954 2 28 LEU MD1 2 33 ILE HB 3.300 . 5.000 3.410 3.064 3.668 . 0 0 "[ . 1]" 1
955 2 31 VAL MG2 2 33 ILE HB 3.300 . 5.000 2.888 2.744 3.116 . 0 0 "[ . 1]" 1
956 2 28 LEU HA 2 31 VAL MG2 3.000 . 3.300 2.536 2.348 2.737 . 0 0 "[ . 1]" 1
957 2 31 VAL MG2 2 33 ILE MD 2.600 . 2.900 2.320 1.780 2.480 . 0 0 "[ . 1]" 1
958 2 33 ILE MD 2 33 ILE MG 3.300 . 5.000 1.968 1.895 2.467 . 0 0 "[ . 1]" 1
959 2 28 LEU HB3 2 33 ILE MG 3.300 . 5.000 3.298 2.998 3.793 . 0 0 "[ . 1]" 1
960 2 28 LEU MD1 2 33 ILE MG 3.300 . 5.000 3.198 2.657 3.473 . 0 0 "[ . 1]" 1
961 1 18 ASP HB3 2 33 ILE MG 3.300 . 5.000 3.040 2.342 3.570 . 0 0 "[ . 1]" 1
962 2 38 ASP HA 2 41 ASN QB 2.217 . 2.346 2.349 2.216 2.467 0.121 2 0 "[ . 1]" 1
963 2 39 ARG HA 2 39 ARG QB 2.239 . 2.569 2.327 2.278 2.353 . 0 0 "[ . 1]" 1
964 2 39 ARG QB 2 39 ARG HD2 2.152 . 2.287 2.282 2.163 2.483 0.196 6 0 "[ . 1]" 1
965 2 40 LEU QB 2 40 LEU QD 2.149 . 2.726 1.870 1.856 1.892 . 0 0 "[ . 1]" 1
966 2 21 ALA HA 2 40 LEU MD1 2.613 . 3.435 2.404 2.325 2.471 . 0 0 "[ . 1]" 1
967 2 24 ILE MD 2 40 LEU MD2 2.639 . 3.510 3.296 2.947 3.548 0.038 6 0 "[ . 1]" 1
968 2 21 ALA MB 2 40 LEU MD1 5.000 . 5.500 1.530 1.481 1.655 . 0 0 "[ . 1]" 1
969 2 21 ALA MB 2 41 ASN HA 2.483 . 3.254 2.012 1.855 2.229 . 0 0 "[ . 1]" 1
970 2 40 LEU HA 2 43 VAL MG1 2.374 . 3.079 1.788 1.665 1.874 0.004 4 0 "[ . 1]" 1
971 2 40 LEU QD 2 44 ILE MD 3.300 . 5.500 3.332 3.001 3.573 . 0 0 "[ . 1]" 1
972 2 44 ILE MD 2 44 ILE QG 1.840 . 2.263 1.860 1.848 1.866 . 0 0 "[ . 1]" 1
973 2 43 VAL QG 2 44 ILE MD 2.168 . 2.755 2.705 2.519 2.906 0.151 10 0 "[ . 1]" 1
974 2 44 ILE MG 2 48 ASN QB 2.260 . 2.899 2.944 2.824 3.029 0.130 10 0 "[ . 1]" 1
975 2 46 GLU QB 2 46 GLU HG2 2.095 . 2.545 2.250 2.123 2.313 . 0 0 "[ . 1]" 1
976 2 43 VAL MG2 2 47 LEU MD1 2.107 . 2.662 2.023 1.873 2.109 . 0 0 "[ . 1]" 1
977 2 47 LEU QD 2 50 LYS HD2 2.712 . 3.439 3.464 3.142 3.595 0.156 8 0 "[ . 1]" 1
978 2 5 VAL QG 2 47 LEU MD2 2.296 . 2.955 1.850 1.532 2.006 0.105 5 0 "[ . 1]" 1
979 2 50 LYS HA 2 50 LYS QG 2.200 . 2.805 2.431 2.328 2.648 . 0 0 "[ . 1]" 1
980 2 9 LEU MD1 2 52 ILE MD 2.218 . 2.833 2.949 2.881 3.010 0.177 9 0 "[ . 1]" 1
981 2 52 ILE MD 2 52 ILE MG 2.800 . 5.000 3.225 3.217 3.236 . 0 0 "[ . 1]" 1
982 2 47 LEU MD2 2 55 VAL QG 2.185 . 2.782 2.189 1.839 2.550 . 0 0 "[ . 1]" 1
983 2 50 LYS QD 2 55 VAL MG2 2.266 . 2.908 2.663 2.544 2.897 . 0 0 "[ . 1]" 1
984 2 56 ILE HA 2 56 ILE MD 2.522 . 3.311 3.227 3.062 3.283 . 0 0 "[ . 1]" 1
985 2 56 ILE MD 2 56 ILE QG 1.961 . 2.442 1.871 1.861 1.877 . 0 0 "[ . 1]" 1
986 2 56 ILE MD 2 56 ILE MG 2.800 . 5.000 3.207 3.176 3.224 . 0 0 "[ . 1]" 1
987 2 60 ILE MD 2 60 ILE MG 2.800 . 5.000 3.178 3.156 3.189 . 0 0 "[ . 1]" 1
988 2 62 LYS HA 2 62 LYS QD 2.188 . 2.786 2.524 1.641 2.925 0.139 2 0 "[ . 1]" 1
989 2 62 LYS QD 2 62 LYS HE2 1.618 . 1.945 2.108 2.090 2.115 0.170 10 0 "[ . 1]" 1
990 2 62 LYS QE 2 62 LYS HG2 1.677 . 2.029 2.330 2.061 2.802 0.773 6 3 "[ *+ -1]" 1
991 2 62 LYS QB 2 62 LYS HE2 2.081 . 2.622 2.517 2.032 2.904 0.282 9 0 "[ . 1]" 1
992 2 5 VAL QG 2 63 LEU HA 2.474 . 3.239 3.281 2.825 3.502 0.263 9 0 "[ . 1]" 1
993 2 2 MET QG 2 63 LEU MD2 2.287 . 2.941 1.860 1.496 2.524 0.137 9 0 "[ . 1]" 1
994 2 67 PRO HA 2 67 PRO QG 2.110 . 2.666 2.864 2.821 2.886 0.220 3 0 "[ . 1]" 1
995 2 67 PRO QB 2 67 PRO QD 2.253 . 2.888 2.981 2.976 2.991 0.103 7 0 "[ . 1]" 1
996 2 68 ALA HA 2 68 ALA MB 1.632 . 1.965 2.115 2.101 2.120 0.155 5 0 "[ . 1]" 1
997 1 2 ALA MB 1 6 GLU H 3.300 . 5.000 4.696 4.485 5.047 0.047 3 0 "[ . 1]" 1
998 1 3 SER HA 1 4 VAL MG2 3.094 . 4.291 4.032 3.909 4.133 . 0 0 "[ . 1]" 1
999 1 4 VAL MG1 2 13 LEU QB 2.109 . 2.665 2.642 2.470 2.781 0.116 1 0 "[ . 1]" 1
1000 1 6 GLU HA 1 10 ILE MD 3.176 . 4.437 2.884 2.725 3.062 . 0 0 "[ . 1]" 1
1001 1 7 LEU HA 1 10 ILE QG 2.856 . 3.876 2.502 2.443 2.578 . 0 0 "[ . 1]" 1
1002 1 7 LEU H 1 7 LEU QD 2.386 . 3.098 3.209 3.118 3.247 0.149 9 0 "[ . 1]" 1
1003 1 9 CYS HA 1 39 VAL QG 2.215 . 2.828 2.634 2.511 2.766 . 0 0 "[ . 1]" 1
1004 1 10 ILE HB 1 10 ILE QG 2.423 . 3.157 2.350 2.345 2.357 . 0 0 "[ . 1]" 1
1005 1 10 ILE H 1 10 ILE MD 3.300 . 5.000 3.605 3.579 3.625 . 0 0 "[ . 1]" 1
1006 1 10 ILE MD 2 60 ILE HA 3.300 . 5.000 3.913 3.793 4.027 . 0 0 "[ . 1]" 1
1007 1 10 ILE MD 1 11 TYR H 3.300 . 5.000 4.292 4.232 4.356 . 0 0 "[ . 1]" 1
1008 1 7 LEU H 1 10 ILE MD 2.841 . 3.850 3.725 3.636 3.810 . 0 0 "[ . 1]" 1
1009 1 9 CYS H 1 10 ILE MD 3.300 . 5.000 4.277 4.193 4.353 . 0 0 "[ . 1]" 1
1010 1 10 ILE H 1 10 ILE MG 3.300 . 5.000 3.738 3.730 3.743 . 0 0 "[ . 1]" 1
1011 1 9 CYS H 1 10 ILE MG 2.804 . 3.787 3.793 3.701 3.880 0.093 4 0 "[ . 1]" 1
1012 1 11 TYR QB 2 10 LEU QD 2.886 . 3.839 1.572 1.414 2.040 0.431 7 0 "[ . 1]" 1
1013 1 13 ALA MB 1 14 LEU HA 2.735 . 3.670 3.082 2.991 3.144 . 0 0 "[ . 1]" 1
1014 1 11 TYR QB 1 14 LEU MD2 2.697 . 3.606 2.878 2.771 2.996 . 0 0 "[ . 1]" 1
1015 1 14 LEU QD 1 17 HIS HD2 2.862 . 3.886 2.443 2.275 2.862 . 0 0 "[ . 1]" 1
1016 1 14 LEU QD 1 56 ILE QG 2.125 . 2.690 1.662 1.634 1.691 . 0 0 "[ . 1]" 1
1017 1 15 ILE HA 2 6 ALA MB 2.849 . 3.756 3.180 3.017 3.321 . 0 0 "[ . 1]" 1
1018 1 15 ILE MD 2 7 SER H 2.752 . 3.699 2.900 2.737 3.212 . 0 0 "[ . 1]" 1
1019 1 15 ILE MD 2 4 TYR HA 3.300 . 5.000 4.714 4.572 4.841 . 0 0 "[ . 1]" 1
1020 1 15 ILE H 1 15 ILE MD 2.329 . 3.007 2.267 2.183 2.315 . 0 0 "[ . 1]" 1
1021 1 15 ILE MG 1 16 LEU H 3.300 . 5.000 4.103 4.063 4.157 . 0 0 "[ . 1]" 1
1022 1 14 LEU H 1 15 ILE MG 3.300 . 5.500 5.715 5.678 5.748 0.248 6 0 "[ . 1]" 1
1023 1 15 ILE MG 2 4 TYR HA 2.701 . 3.613 3.679 3.635 3.703 0.090 8 0 "[ . 1]" 1
1024 1 15 ILE MG 2 28 LEU HA 3.300 . 5.000 3.179 2.990 3.419 . 0 0 "[ . 1]" 1
1025 1 15 ILE H 1 15 ILE MG 3.300 . 5.000 3.379 3.310 3.435 . 0 0 "[ . 1]" 1
1026 1 16 LEU QD 1 21 VAL H 2.520 . 3.314 3.454 3.426 3.478 0.164 7 0 "[ . 1]" 1
1027 1 16 LEU MD2 1 24 THR H 2.612 . 3.465 2.672 2.414 2.856 . 0 0 "[ . 1]" 1
1028 1 16 LEU QD 1 27 LYS QE 2.758 . 3.709 3.489 3.257 3.714 0.005 6 0 "[ . 1]" 1
1029 1 16 LEU QD 1 16 LEU HG 2.198 . 2.802 1.894 1.893 1.897 . 0 0 "[ . 1]" 1
1030 1 17 HIS QB 1 17 HIS HD2 3.133 . 4.221 2.589 2.563 2.604 . 0 0 "[ . 1]" 1
1031 1 17 HIS HB2 1 51 LEU QD 2.716 . 3.638 3.466 3.069 3.764 0.126 6 0 "[ . 1]" 1
1032 1 18 ASP HB3 1 19 ASP QB 2.762 . 3.716 3.709 3.586 3.775 0.059 1 0 "[ . 1]" 1
1033 1 19 ASP H 1 20 GLU QG 3.021 . 4.162 4.231 4.192 4.299 0.137 7 0 "[ . 1]" 1
1034 1 19 ASP H 1 21 VAL MG1 2.501 . 3.283 3.417 3.363 3.463 0.180 7 0 "[ . 1]" 1
1035 1 22 THR MG 1 23 VAL H 2.800 . 5.000 3.602 3.443 3.686 . 0 0 "[ . 1]" 1
1036 1 23 VAL HA 1 27 LYS QB 2.782 . 3.749 3.241 3.143 3.430 . 0 0 "[ . 1]" 1
1037 1 23 VAL MG1 1 51 LEU H 2.589 . 3.427 3.519 3.447 3.566 0.139 2 0 "[ . 1]" 1
1038 1 25 GLU QB 1 28 ILE H 5.000 . 5.500 5.122 4.917 5.320 . 0 0 "[ . 1]" 1
1039 1 25 GLU QG 1 26 ASP HA 3.094 . 4.291 3.937 3.520 4.326 0.035 4 0 "[ . 1]" 1
1040 1 25 GLU QG 1 29 ASN HD22 2.971 . 4.074 3.918 2.391 4.955 0.881 1 3 "[+ .*- 1]" 1
1041 1 25 GLU H 1 25 GLU QG 2.929 . 4.001 3.107 1.799 3.963 0.058 2 0 "[ . 1]" 1
1042 1 25 GLU QG 1 26 ASP H 2.881 . 3.919 3.120 1.815 3.994 0.075 1 0 "[ . 1]" 1
1043 1 26 ASP HA 1 29 ASN QD 3.041 . 3.545 2.958 2.127 3.561 0.016 6 0 "[ . 1]" 1
1044 1 26 ASP QB 1 27 LYS H 3.300 . 3.611 3.094 2.696 3.628 0.017 2 0 "[ . 1]" 1
1045 1 27 LYS H 1 27 LYS QB 2.780 . 3.746 2.122 2.042 2.437 . 0 0 "[ . 1]" 1
1046 1 16 LEU QD 1 27 LYS HB2 5.000 . 5.500 2.317 2.057 2.464 . 0 0 "[ . 1]" 1
1047 1 27 LYS H 1 27 LYS QG 2.813 . 3.802 3.787 2.362 3.998 0.196 1 0 "[ . 1]" 1
1048 1 28 ILE HA 1 31 LEU QD 3.300 . 3.600 2.139 1.947 2.444 . 0 0 "[ . 1]" 1
1049 1 29 ASN HA 1 32 ILE MG 5.000 . 5.500 3.387 3.157 3.625 . 0 0 "[ . 1]" 1
1050 1 29 ASN QB 1 29 ASN HD22 2.700 . 3.611 2.793 2.662 3.005 . 0 0 "[ . 1]" 1
1051 1 12 SER H 1 31 LEU MD2 5.000 . 5.500 3.577 3.469 3.703 . 0 0 "[ . 1]" 1
1052 1 31 LEU QD 1 32 ILE H 5.000 . 5.500 3.658 3.581 3.721 . 0 0 "[ . 1]" 1
1053 1 28 ILE HA 1 31 LEU QD 5.000 . 5.500 2.121 1.940 2.402 . 0 0 "[ . 1]" 1
1054 1 9 CYS H 1 32 ILE QG 5.000 . 5.500 5.023 4.657 5.199 . 0 0 "[ . 1]" 1
1055 1 9 CYS H 1 32 ILE MD 5.000 . 5.500 5.201 4.717 5.295 . 0 0 "[ . 1]" 1
1056 1 32 ILE H 1 32 ILE MD 5.000 . 5.500 3.510 3.448 3.573 . 0 0 "[ . 1]" 1
1057 1 32 ILE MD 1 33 LYS H 5.000 . 5.500 4.511 4.424 4.563 . 0 0 "[ . 1]" 1
1058 1 31 LEU H 1 32 ILE MD 5.000 . 5.500 5.183 5.058 5.322 . 0 0 "[ . 1]" 1
1059 1 34 ALA MB 2 27 ILE H 3.300 . 5.000 3.956 3.747 4.255 . 0 0 "[ . 1]" 1
1060 1 34 ALA MB 2 27 ILE QG 2.500 . 2.800 2.586 2.335 2.775 . 0 0 "[ . 1]" 1
1061 1 35 ALA HA 2 10 LEU HB2 5.000 . 5.500 2.899 2.676 3.020 . 0 0 "[ . 1]" 1
1062 1 35 ALA HA 1 37 VAL MG1 5.000 . 5.500 4.249 4.161 4.502 . 0 0 "[ . 1]" 1
1063 1 34 ALA MB 1 35 ALA HA 5.000 . 5.500 3.868 3.808 3.924 . 0 0 "[ . 1]" 1
1064 1 35 ALA MB 2 11 ALA H 5.000 . 5.500 3.552 3.327 3.702 . 0 0 "[ . 1]" 1
1065 1 37 VAL HA 1 38 ASN QB 2.810 . 3.697 3.835 3.809 3.848 0.151 10 0 "[ . 1]" 1
1066 1 36 GLY QA 1 37 VAL HB 3.300 . 5.000 4.512 4.436 4.559 . 0 0 "[ . 1]" 1
1067 1 4 VAL HB 1 37 VAL MG2 2.158 . 2.740 2.849 2.832 2.882 0.142 5 0 "[ . 1]" 1
1068 1 37 VAL MG2 1 38 ASN HB2 3.300 . 5.000 3.979 3.936 4.007 . 0 0 "[ . 1]" 1
1069 1 39 VAL MG1 1 40 GLU QG 2.855 . 3.874 4.078 3.918 4.157 0.283 7 0 "[ . 1]" 1
1070 1 39 VAL MG2 1 41 PRO HA 5.000 . 5.500 5.370 5.241 5.513 0.013 6 0 "[ . 1]" 1
1071 1 43 TRP QB 1 44 PRO HD3 2.915 . 3.977 1.882 1.836 1.949 0.017 8 0 "[ . 1]" 1
1072 1 25 GLU HA 1 44 PRO HA 2.894 . 3.941 3.542 3.360 3.639 . 0 0 "[ . 1]" 1
1073 1 46 LEU QB 1 49 LYS HE2 2.914 . 3.976 4.090 4.044 4.148 0.172 6 0 "[ . 1]" 1
1074 1 47 PHE HB3 1 51 LEU QD 2.612 . 3.465 2.208 2.010 2.388 . 0 0 "[ . 1]" 1
1075 1 43 TRP HE3 1 47 PHE HB2 3.300 . 5.000 3.793 3.769 3.833 . 0 0 "[ . 1]" 1
1076 1 46 LEU MD1 1 49 LYS QB 2.543 . 3.351 2.598 2.467 2.720 . 0 0 "[ . 1]" 1
1077 1 49 LYS H 1 49 LYS QD 3.300 . 5.000 4.209 4.087 4.354 . 0 0 "[ . 1]" 1
1078 1 46 LEU QB 1 50 ALA MB 5.000 . 5.500 3.289 3.206 3.467 . 0 0 "[ . 1]" 1
1079 1 47 PHE QD 1 51 LEU HB2 3.164 . 4.337 4.672 4.519 4.864 0.527 8 2 "[- . + 1]" 1
1080 1 13 ALA MB 1 51 LEU QD 2.195 . 2.797 1.771 1.615 2.255 . 0 0 "[ . 1]" 1
1081 1 53 ASN QB 1 53 ASN HD21 2.811 . 3.799 2.161 2.117 2.201 . 0 0 "[ . 1]" 1
1082 1 54 VAL QG 1 55 ASN H 2.441 . 3.186 2.571 2.446 2.871 . 0 0 "[ . 1]" 1
1083 1 54 VAL MG2 1 55 ASN HA 2.643 . 3.516 3.334 3.224 3.402 . 0 0 "[ . 1]" 1
1084 1 10 ILE HA 1 56 ILE MD 3.300 . 5.500 3.197 2.909 3.562 . 0 0 "[ . 1]" 1
1085 1 57 GLY QA 1 58 SER H 2.697 . 3.606 2.878 2.855 2.892 . 0 0 "[ . 1]" 1
1086 1 56 ILE MG 1 57 GLY QA 2.576 . 3.405 2.547 2.401 2.647 . 0 0 "[ . 1]" 1
1087 1 55 ASN HB2 1 58 SER HB2 2.927 . 3.998 4.128 3.664 4.470 0.472 6 0 "[ . 1]" 1
1088 1 55 ASN H 1 58 SER QB 2.960 . 4.055 2.470 1.974 2.992 . 0 0 "[ . 1]" 1
1089 1 58 SER QB 1 59 LEU HG 2.861 . 3.884 4.003 3.961 4.032 0.148 7 0 "[ . 1]" 1
1090 1 47 PHE QE 1 59 LEU QD 2.926 . 3.979 1.783 1.701 1.949 0.155 10 0 "[ . 1]" 1
1091 1 60 ILE HG12 1 60 ILE MG 2.171 . 2.760 2.221 2.209 2.238 . 0 0 "[ . 1]" 1
1092 1 61 CYS QB 1 62 ASN HD21 3.300 . 5.000 4.565 3.779 5.143 0.143 5 0 "[ . 1]" 1
1093 1 60 ILE H 1 61 CYS QB 2.994 . 4.114 4.230 4.207 4.253 0.139 7 0 "[ . 1]" 1
1094 1 61 CYS QB 1 65 ALA MB 2.906 . 3.962 3.335 2.762 3.934 . 0 0 "[ . 1]" 1
1095 1 61 CYS QB 1 62 ASN HA 2.872 . 3.903 4.041 3.990 4.135 0.232 2 0 "[ . 1]" 1
1096 1 61 CYS QB 1 62 ASN H 2.914 . 3.975 3.146 2.283 3.574 . 0 0 "[ . 1]" 1
1097 1 43 TRP HZ2 1 62 ASN QB 2.580 . 3.412 3.517 3.467 3.558 0.146 1 0 "[ . 1]" 1
1098 1 11 TYR QE 2 6 ALA HA 3.338 . 4.731 4.244 4.112 4.380 . 0 0 "[ . 1]" 1
1099 1 43 TRP HE3 1 47 PHE QD 3.300 . 4.636 1.967 1.926 2.014 0.038 6 0 "[ . 1]" 1
1100 1 47 PHE QD 1 51 LEU QD 3.238 . 4.549 1.704 1.374 1.931 0.553 4 1 "[ +. 1]" 1
1101 1 43 TRP HZ2 1 47 PHE QE 3.376 . 4.801 4.983 4.943 5.037 0.236 2 0 "[ . 1]" 1
1102 1 47 PHE QE 1 51 LEU QD 3.269 . 4.605 1.772 1.695 1.931 0.238 10 0 "[ . 1]" 1
1103 1 42 PHE QD 1 46 LEU HB3 3.418 . 4.879 3.070 2.874 3.189 . 0 0 "[ . 1]" 1
1104 1 7 LEU QB 1 11 TYR HD2 3.320 . 4.698 4.215 4.147 4.339 . 0 0 "[ . 1]" 1
1105 2 2 MET ME 2 3 ARG H 2.651 . 3.529 3.272 2.907 3.430 . 0 0 "[ . 1]" 1
1106 2 3 ARG H 2 5 VAL MG1 3.300 . 5.000 3.429 2.284 3.708 . 0 0 "[ . 1]" 1
1107 2 6 ALA MB 2 8 TYR H 3.300 . 5.000 4.381 4.304 4.483 . 0 0 "[ . 1]" 1
1108 2 6 ALA MB 2 63 LEU MD2 1.865 . 2.300 2.023 1.937 2.067 . 0 0 "[ . 1]" 1
1109 2 8 TYR HA 2 11 ALA H 2.892 . 3.937 3.427 3.368 3.520 . 0 0 "[ . 1]" 1
1110 2 9 LEU HA 2 12 ALA H 2.926 . 3.996 3.371 3.316 3.415 . 0 0 "[ . 1]" 1
1111 2 6 ALA MB 2 9 LEU MD2 2.525 . 3.322 3.091 3.006 3.196 . 0 0 "[ . 1]" 1
1112 2 9 LEU QD 2 56 ILE H 3.300 . 5.000 4.400 4.344 4.458 . 0 0 "[ . 1]" 1
1113 2 10 LEU HA 2 11 ALA H 2.668 . 3.558 3.088 3.035 3.126 . 0 0 "[ . 1]" 1
1114 2 7 SER HA 2 10 LEU QB 2.682 . 3.581 2.572 2.460 2.762 . 0 0 "[ . 1]" 1
1115 2 10 LEU H 2 10 LEU QB 2.849 . 3.864 2.079 2.020 2.108 . 0 0 "[ . 1]" 1
1116 2 10 LEU QB 2 11 ALA H 2.878 . 3.913 2.339 2.142 2.603 . 0 0 "[ . 1]" 1
1117 2 10 LEU H 2 10 LEU QD 2.568 . 3.392 3.324 3.284 3.439 0.047 4 0 "[ . 1]" 1
1118 2 10 LEU QD 2 11 ALA H 3.300 . 5.000 3.969 3.851 4.025 . 0 0 "[ . 1]" 1
1119 2 11 ALA MB 2 24 ILE H 3.300 . 5.000 4.721 4.569 4.874 . 0 0 "[ . 1]" 1
1120 2 11 ALA MB 2 16 ASN H 2.730 . 3.661 3.828 3.660 3.933 0.272 8 0 "[ . 1]" 1
1121 2 11 ALA MB 2 16 ASN HD21 2.527 . 3.325 3.038 2.758 3.501 0.176 1 0 "[ . 1]" 1
1122 2 11 ALA MB 2 20 SER H 2.933 . 4.008 4.134 4.108 4.168 0.160 5 0 "[ . 1]" 1
1123 2 12 ALA MB 2 52 ILE HB 2.818 2.025 3.611 2.767 2.623 3.134 . 0 0 "[ . 1]" 1
1124 2 13 LEU QB 2 13 LEU HG 2.377 . 3.083 2.337 2.315 2.367 . 0 0 "[ . 1]" 1
1125 1 7 LEU HB3 2 13 LEU QD 2.236 . 2.861 1.745 1.638 1.822 0.086 1 0 "[ . 1]" 1
1126 1 37 VAL QG 2 13 LEU MD2 1.925 . 2.388 2.265 2.208 2.308 . 0 0 "[ . 1]" 1
1127 1 8 ALA H 2 13 LEU QD 2.775 . 3.738 2.524 2.464 2.553 . 0 0 "[ . 1]" 1
1128 1 7 LEU HG 2 13 LEU QD 2.500 . 3.161 3.271 3.225 3.304 0.143 1 0 "[ . 1]" 1
1129 2 16 ASN QB 2 16 ASN HD21 2.813 . 3.672 2.145 2.087 2.187 . 0 0 "[ . 1]" 1
1130 2 16 ASN QB 2 18 SER H 3.300 . 5.000 3.462 2.546 3.739 . 0 0 "[ . 1]" 1
1131 2 16 ASN QB 2 19 PRO HA 2.867 . 3.894 3.325 2.720 3.560 . 0 0 "[ . 1]" 1
1132 2 19 PRO QB 2 24 ILE MD 3.300 . 5.000 2.638 2.503 2.739 . 0 0 "[ . 1]" 1
1133 2 8 TYR HD2 2 19 PRO QB 2.696 . 3.605 2.859 2.760 2.978 . 0 0 "[ . 1]" 1
1134 2 19 PRO QB 2 23 ASP HB2 2.783 . 3.751 3.159 2.702 4.245 0.494 4 0 "[ . 1]" 1
1135 2 8 TYR HA 2 19 PRO QD 3.300 . 5.000 4.156 4.002 4.275 . 0 0 "[ . 1]" 1
1136 2 20 SER QB 2 22 LYS HD2 2.903 . 3.956 4.187 3.531 4.473 0.517 1 2 "[+ - 1]" 1
1137 2 19 PRO QB 2 20 SER HB2 2.617 . 3.473 3.525 3.463 3.582 0.109 9 0 "[ . 1]" 1
1138 2 21 ALA MB 2 23 ASP H 3.300 . 5.000 3.951 3.882 4.044 . 0 0 "[ . 1]" 1
1139 2 21 ALA MB 2 41 ASN QB 2.426 . 3.162 2.001 1.807 2.200 . 0 0 "[ . 1]" 1
1140 2 21 ALA MB 2 41 ASN H 2.443 . 3.189 2.976 2.775 3.198 0.009 3 0 "[ . 1]" 1
1141 2 22 LYS HA 2 23 ASP H 2.696 . 3.604 3.315 3.276 3.377 . 0 0 "[ . 1]" 1
1142 2 24 ILE MD 2 25 LYS H 3.300 . 5.000 4.486 4.426 4.517 . 0 0 "[ . 1]" 1
1143 2 20 SER H 2 24 ILE MD 3.300 . 5.000 4.199 3.716 4.379 . 0 0 "[ . 1]" 1
1144 2 11 ALA H 2 24 ILE MG 3.300 . 5.000 4.690 4.599 4.808 . 0 0 "[ . 1]" 1
1145 2 24 ILE MG 2 28 LEU QB 3.300 . 5.000 3.664 3.438 3.869 . 0 0 "[ . 1]" 1
1146 2 24 ILE MG 2 40 LEU HA 3.300 . 5.000 3.760 3.554 3.960 . 0 0 "[ . 1]" 1
1147 2 24 ILE MG 2 27 ILE H 3.300 . 5.000 4.686 4.545 4.839 . 0 0 "[ . 1]" 1
1148 2 25 LYS HA 2 25 LYS QE 2.971 . 4.075 3.691 3.235 3.907 . 0 0 "[ . 1]" 1
1149 1 31 LEU HA 2 27 ILE HA 3.300 . 5.000 3.529 3.464 3.604 . 0 0 "[ . 1]" 1
1150 1 15 ILE MG 2 27 ILE HB 3.300 . 5.000 4.209 3.939 4.346 . 0 0 "[ . 1]" 1
1151 1 34 ALA MB 2 27 ILE MD 3.000 . 3.300 2.912 2.623 3.253 . 0 0 "[ . 1]" 1
1152 2 11 ALA H 2 27 ILE MD 3.300 . 5.000 3.911 3.310 4.283 . 0 0 "[ . 1]" 1
1153 2 11 ALA H 2 27 ILE MG 3.300 . 5.000 4.541 4.342 4.837 . 0 0 "[ . 1]" 1
1154 2 27 ILE H 2 27 ILE MG 3.300 . 5.000 3.665 3.643 3.687 . 0 0 "[ . 1]" 1
1155 2 28 LEU MD1 2 33 ILE H 3.300 . 5.000 3.652 3.332 4.056 . 0 0 "[ . 1]" 1
1156 2 25 LYS QB 2 29 ASP QB 2.810 . 3.797 3.511 3.306 3.714 . 0 0 "[ . 1]" 1
1157 1 31 LEU MD1 2 30 SER HA 5.000 . 5.500 4.176 4.121 4.225 . 0 0 "[ . 1]" 1
1158 1 31 LEU HG 2 31 VAL QG 3.300 . 5.000 3.561 3.472 3.644 . 0 0 "[ . 1]" 1
1159 1 16 LEU HA 2 31 VAL MG2 3.300 . 5.000 2.504 2.332 2.681 . 0 0 "[ . 1]" 1
1160 1 30 ALA HA 2 31 VAL QG 3.300 . 5.000 3.251 3.142 3.354 . 0 0 "[ . 1]" 1
1161 1 30 ALA MB 2 31 VAL MG1 3.300 . 5.000 2.060 1.908 2.229 . 0 0 "[ . 1]" 1
1162 2 31 VAL MG2 2 33 ILE H 3.300 . 5.000 2.626 2.152 2.925 . 0 0 "[ . 1]" 1
1163 1 27 LYS HA 2 31 VAL MG1 3.300 . 5.000 2.556 2.167 2.736 . 0 0 "[ . 1]" 1
1164 2 33 ILE HA 2 34 GLU QB 3.300 . 5.000 4.406 4.331 4.466 . 0 0 "[ . 1]" 1
1165 2 33 ILE MD 2 34 GLU H 3.300 . 5.000 4.795 4.586 5.026 0.026 9 0 "[ . 1]" 1
1166 1 20 GLU H 2 33 ILE MD 3.300 . 5.000 4.155 3.810 4.407 . 0 0 "[ . 1]" 1
1167 2 33 ILE H 2 33 ILE MD 3.300 . 5.000 3.922 3.247 4.139 . 0 0 "[ . 1]" 1
1168 2 31 VAL H 2 33 ILE MD 3.300 . 5.000 4.940 4.490 5.069 0.069 7 0 "[ . 1]" 1
1169 2 35 ALA MB 2 36 ASP QB 3.300 . 5.000 4.503 4.396 4.609 . 0 0 "[ . 1]" 1
1170 2 28 LEU QB 2 35 ALA MB 3.300 . 5.000 3.476 3.281 3.639 . 0 0 "[ . 1]" 1
1171 2 35 ALA MB 2 36 ASP H 2.269 . 2.912 2.850 2.686 2.905 . 0 0 "[ . 1]" 1
1172 2 34 GLU HA 2 35 ALA MB 3.300 . 5.000 3.760 3.622 3.855 . 0 0 "[ . 1]" 1
1173 2 38 ASP QB 2 39 ARG HG2 2.716 . 3.283 3.308 3.079 3.397 0.114 5 0 "[ . 1]" 1
1174 2 39 ARG H 2 39 ARG QB 2.601 . 3.447 2.526 2.453 2.639 . 0 0 "[ . 1]" 1
1175 2 36 ASP H 2 39 ARG HD2 3.300 . 5.000 4.758 4.683 4.831 . 0 0 "[ . 1]" 1
1176 2 38 ASP QB 2 39 ARG HD3 3.300 . 5.000 4.343 4.095 4.663 . 0 0 "[ . 1]" 1
1177 2 4 TYR HD2 2 39 ARG QG 3.300 . 5.000 5.108 5.056 5.149 0.149 3 0 "[ . 1]" 1
1178 2 36 ASP H 2 39 ARG QG 2.367 . 3.067 3.173 3.084 3.272 0.205 10 0 "[ . 1]" 1
1179 2 40 LEU MD1 2 41 ASN HA 2.786 . 3.756 3.233 3.140 3.379 . 0 0 "[ . 1]" 1
1180 2 39 ARG H 2 40 LEU MD1 2.434 . 3.175 3.297 3.258 3.331 0.156 8 0 "[ . 1]" 1
1181 2 40 LEU MD1 2 42 LYS H 3.300 . 5.000 3.923 3.852 4.038 . 0 0 "[ . 1]" 1
1182 2 40 LEU QB 2 40 LEU HG 2.541 . 3.348 2.382 2.369 2.393 . 0 0 "[ . 1]" 1
1183 2 41 ASN QB 2 41 ASN HD21 2.600 . 3.445 2.135 2.118 2.146 . 0 0 "[ . 1]" 1
1184 2 42 LYS HA 2 43 VAL H 2.499 . 3.280 3.018 2.830 3.178 . 0 0 "[ . 1]" 1
1185 2 24 ILE HG12 2 43 VAL QG 3.300 . 5.000 4.588 4.405 4.747 . 0 0 "[ . 1]" 1
1186 2 43 VAL MG2 2 47 LEU HG 2.800 . 5.000 2.369 2.013 2.965 . 0 0 "[ . 1]" 1
1187 2 43 VAL QG 2 44 ILE H 2.314 . 2.984 2.047 1.892 2.176 . 0 0 "[ . 1]" 1
1188 2 8 TYR QD 2 43 VAL MG2 2.542 . 3.350 3.399 3.336 3.496 0.146 3 0 "[ . 1]" 1
1189 2 5 VAL HA 2 43 VAL MG2 2.194 . 2.796 2.565 2.317 2.850 0.054 6 0 "[ . 1]" 1
1190 2 43 VAL HA 2 47 LEU QD 2.636 . 3.504 3.397 3.166 3.571 0.067 7 0 "[ . 1]" 1
1191 2 8 TYR QB 2 47 LEU QD 3.004 . 4.132 2.523 1.861 3.208 0.015 7 0 "[ . 1]" 1
1192 2 47 LEU QD 2 50 LYS HE2 2.593 . 3.434 3.658 3.077 4.125 0.691 8 3 "[ - *+ 1]" 1
1193 2 5 VAL QG 2 47 LEU MD2 2.137 . 2.708 2.133 1.582 2.453 . 0 0 "[ . 1]" 1
1194 2 47 LEU QB 2 47 LEU HG 2.235 . 2.859 2.184 2.115 2.259 . 0 0 "[ . 1]" 1
1195 2 48 ASN QB 2 49 GLY H 2.898 . 3.821 3.819 3.742 3.896 0.075 9 0 "[ . 1]" 1
1196 2 50 LYS HA 2 50 LYS QE 2.888 . 3.931 3.461 3.037 3.699 . 0 0 "[ . 1]" 1
1197 2 50 LYS QB 2 50 LYS QE 2.793 . 3.768 1.939 1.886 1.996 . 0 0 "[ . 1]" 1
1198 2 50 LYS H 2 52 ILE MD 2.980 2.148 3.812 3.770 3.694 3.816 0.004 7 0 "[ . 1]" 1
1199 2 51 ASN HA 2 52 ILE MD 2.570 . 3.395 3.252 3.184 3.306 . 0 0 "[ . 1]" 1
1200 2 52 ILE MG 2 54 ASP H 3.300 . 5.000 4.012 3.950 4.129 . 0 0 "[ . 1]" 1
1201 1 4 VAL MG2 2 53 GLU QB 2.706 . 3.621 3.281 3.074 3.487 . 0 0 "[ . 1]" 1
1202 2 8 TYR HE1 2 55 VAL MG2 3.300 . 5.000 5.201 5.179 5.231 0.231 7 0 "[ . 1]" 1
1203 2 55 VAL QG 2 56 ILE H 2.426 . 2.994 3.104 3.057 3.129 0.135 2 0 "[ . 1]" 1
1204 2 52 ILE HG13 2 55 VAL MG2 2.800 . 5.000 3.949 3.810 4.216 . 0 0 "[ . 1]" 1
1205 2 9 LEU MD1 2 55 VAL QG 3.300 . 5.000 2.887 2.826 2.979 . 0 0 "[ . 1]" 1
1206 2 51 ASN H 2 55 VAL MG2 3.300 . 5.000 2.784 2.605 3.018 . 0 0 "[ . 1]" 1
1207 2 56 ILE H 2 56 ILE MD 2.284 . 2.936 1.906 1.636 2.006 . 0 0 "[ . 1]" 1
1208 2 56 ILE H 2 56 ILE MG 3.300 . 5.000 3.869 3.787 3.888 . 0 0 "[ . 1]" 1
1209 2 56 ILE MG 2 58 GLN H 2.800 . 5.000 4.047 3.685 4.346 . 0 0 "[ . 1]" 1
1210 1 1 MET ME 2 57 ALA MB 3.300 . 5.000 2.606 1.773 2.967 . 0 0 "[ . 1]" 1
1211 2 54 ASP QB 2 57 ALA MB 2.638 . 3.508 3.702 3.599 3.850 0.342 1 0 "[ . 1]" 1
1212 2 58 GLN QE 2 58 GLN HG3 2.582 . 3.407 2.929 2.707 3.114 . 0 0 "[ . 1]" 1
1213 2 60 ILE H 2 60 ILE MD 2.319 . 2.991 1.957 1.893 1.998 . 0 0 "[ . 1]" 1
1214 1 61 CYS H 2 60 ILE MD 2.533 . 3.335 2.752 2.363 3.276 . 0 0 "[ . 1]" 1
1215 2 60 ILE H 2 60 ILE MG 3.300 . 4.000 3.694 3.661 3.720 . 0 0 "[ . 1]" 1
1216 1 61 CYS H 2 60 ILE MG 3.300 . 5.500 4.735 4.591 4.955 . 0 0 "[ . 1]" 1
1217 1 14 LEU HA 2 63 LEU MD1 2.287 . 2.941 2.768 2.631 2.961 0.020 9 0 "[ . 1]" 1
1218 2 64 ALA H 2 64 ALA MB 2.300 . 2.600 2.665 2.217 2.766 0.166 2 0 "[ . 1]" 1
1219 2 62 LYS QG 2 66 VAL QG 1.913 . 2.370 2.075 1.770 2.409 0.039 9 0 "[ . 1]" 1
1220 1 1 MET ME 2 57 ALA HA 3.300 . 5.000 4.883 4.116 5.141 0.141 6 0 "[ . 1]" 1
1221 1 1 MET ME 2 53 GLU HA 3.300 . 5.000 4.527 3.985 5.079 0.079 3 0 "[ . 1]" 1
1222 1 1 MET QG 2 54 ASP HB2 3.300 . 5.000 4.871 4.276 5.670 0.670 6 1 "[ .+ 1]" 1
1223 1 1 MET QG 2 53 GLU HB3 3.300 . 5.000 3.094 2.186 3.883 . 0 0 "[ . 1]" 1
1224 1 2 ALA MB 2 53 GLU QG 5.000 2.500 5.500 4.914 3.737 5.326 . 0 0 "[ . 1]" 1
1225 1 2 ALA MB 2 53 GLU HA 5.000 2.500 5.500 5.223 4.155 5.479 . 0 0 "[ . 1]" 1
1226 1 4 VAL QG 2 13 LEU QD 1.867 . 2.303 1.988 1.885 2.089 . 0 0 "[ . 1]" 1
1227 1 4 VAL QG 2 13 LEU HG 2.146 . 2.722 1.519 1.339 1.638 0.366 2 0 "[ . 1]" 1
1228 1 4 VAL QG 2 13 LEU HA 2.457 . 3.211 2.933 2.753 3.119 . 0 0 "[ . 1]" 1
1229 1 7 LEU MD2 2 53 GLU HA 2.999 . 3.575 1.931 1.837 2.111 0.038 2 0 "[ . 1]" 1
1230 1 7 LEU MD1 2 57 ALA HA 2.738 . 3.675 3.024 2.886 3.195 . 0 0 "[ . 1]" 1
1231 1 7 LEU MD1 2 56 ILE MG 2.347 . 3.036 2.003 1.862 2.109 . 0 0 "[ . 1]" 1
1232 1 8 ALA MB 2 13 LEU QB 2.724 . 3.651 2.798 2.685 3.041 . 0 0 "[ . 1]" 1
1233 1 8 ALA MB 2 10 LEU QD 2.603 . 3.450 2.392 2.257 2.514 . 0 0 "[ . 1]" 1
1234 1 8 ALA MB 2 13 LEU QD 1.855 . 2.285 1.762 1.625 1.993 . 0 0 "[ . 1]" 1
1235 1 8 ALA MB 2 10 LEU HG 2.945 . 4.029 3.972 3.609 4.045 0.016 8 0 "[ . 1]" 1
1236 1 10 ILE HB 2 60 ILE QG 2.969 . 4.071 4.043 3.916 4.099 0.028 8 0 "[ . 1]" 1
1237 1 10 ILE HB 2 60 ILE MG 3.300 . 5.000 4.417 4.370 4.527 . 0 0 "[ . 1]" 1
1238 1 10 ILE MD 2 60 ILE HB 3.300 . 5.000 4.017 3.886 4.083 . 0 0 "[ . 1]" 1
1239 1 10 ILE MD 2 60 ILE MG 1.952 . 2.428 2.527 2.480 2.580 0.152 10 0 "[ . 1]" 1
1240 1 10 ILE MG 2 60 ILE HA 2.714 . 3.635 2.067 2.023 2.125 . 0 0 "[ . 1]" 1
1241 1 10 ILE MG 2 60 ILE HB 3.300 . 5.000 4.104 4.028 4.162 . 0 0 "[ . 1]" 1
1242 1 11 TYR QB 2 9 LEU HB2 3.069 . 4.246 1.592 1.418 2.168 0.474 7 0 "[ . 1]" 1
1243 1 11 TYR QB 2 10 LEU HG 3.001 . 4.127 3.919 1.866 4.172 0.045 5 0 "[ . 1]" 1
1244 1 14 LEU QD 2 60 ILE HA 2.501 . 3.283 3.365 3.311 3.435 0.152 5 0 "[ . 1]" 1
1245 1 14 LEU QD 2 63 LEU QD 2.183 . 2.779 2.042 1.860 2.157 . 0 0 "[ . 1]" 1
1246 1 15 ILE MD 2 10 LEU QD 2.118 . 2.679 1.923 1.511 2.109 0.046 4 0 "[ . 1]" 1
1247 1 15 ILE MD 2 10 LEU HG 3.300 . 5.000 4.348 3.627 4.609 . 0 0 "[ . 1]" 1
1248 1 15 ILE MD 2 27 ILE MG 3.300 . 5.000 2.294 2.094 2.524 . 0 0 "[ . 1]" 1
1249 1 15 ILE MD 2 2 MET ME 3.300 . 5.000 3.613 3.522 3.710 . 0 0 "[ . 1]" 1
1250 1 15 ILE MD 2 28 LEU QB 3.300 . 5.000 4.539 4.294 4.920 . 0 0 "[ . 1]" 1
1251 1 15 ILE MD 2 6 ALA HA 3.300 . 5.000 3.807 3.718 3.877 . 0 0 "[ . 1]" 1
1252 1 15 ILE MG 2 28 LEU QD 3.300 . 5.000 2.647 2.194 2.791 . 0 0 "[ . 1]" 1
1253 1 15 ILE MG 2 33 ILE HB 3.300 . 5.000 3.924 3.798 3.999 . 0 0 "[ . 1]" 1
1254 1 15 ILE MG 2 28 LEU QB 3.300 . 5.000 2.538 2.262 2.738 . 0 0 "[ . 1]" 1
1255 1 15 ILE MG 2 2 MET ME 2.894 . 3.941 3.921 3.740 3.982 0.041 1 0 "[ . 1]" 1
1256 1 16 LEU MD1 2 31 VAL QG 3.300 . 5.000 2.493 2.425 2.583 . 0 0 "[ . 1]" 1
1257 1 16 LEU MD1 2 31 VAL HA 3.300 . 5.000 5.129 5.095 5.173 0.173 1 0 "[ . 1]" 1
1258 1 21 VAL MG1 2 33 ILE HB 3.300 . 5.000 4.761 4.471 4.952 . 0 0 "[ . 1]" 1
1259 1 21 VAL MG1 2 33 ILE HA 3.300 . 5.000 4.250 3.838 4.557 . 0 0 "[ . 1]" 1
1260 1 21 VAL MG1 2 33 ILE MD 3.300 . 5.000 2.057 1.868 2.582 . 0 0 "[ . 1]" 1
1261 1 31 LEU QD 2 27 ILE MD 3.300 . 5.000 1.696 1.594 1.747 0.006 5 0 "[ . 1]" 1
1262 1 31 LEU MD1 2 30 SER HA 5.000 . 5.500 5.455 5.262 5.528 0.028 9 0 "[ . 1]" 1
1263 1 31 LEU MD1 2 30 SER QB 5.000 . 5.500 3.523 2.667 3.926 . 0 0 "[ . 1]" 1
1264 1 31 LEU MD1 2 27 ILE MG 2.900 . 3.200 1.796 1.670 1.984 . 0 0 "[ . 1]" 1
1265 1 31 LEU QD 2 31 VAL HA 3.300 . 5.000 4.206 4.134 4.340 . 0 0 "[ . 1]" 1
1266 1 31 LEU QD 2 31 VAL HB 3.300 . 5.000 3.528 3.383 3.602 . 0 0 "[ . 1]" 1
1267 1 31 LEU MD1 2 27 ILE HA 4.200 2.500 4.500 3.610 3.447 3.771 . 0 0 "[ . 1]" 1
1268 1 34 ALA MB 2 26 LYS QG 5.000 . 5.500 3.931 2.922 4.622 . 0 0 "[ . 1]" 1
1269 1 34 ALA MB 2 27 ILE HB 3.300 . 5.000 4.391 4.129 4.681 . 0 0 "[ . 1]" 1
1270 1 35 ALA MB 2 27 ILE MD 2.800 . 3.100 2.597 2.472 2.782 . 0 0 "[ . 1]" 1
1271 1 35 ALA MB 2 15 GLY QA 5.000 . 5.500 4.172 3.805 4.350 . 0 0 "[ . 1]" 1
1272 1 37 VAL HB 2 13 LEU QD 3.300 . 5.000 4.288 4.213 4.375 . 0 0 "[ . 1]" 1
1273 1 37 VAL MG1 2 10 LEU QD 2.347 . 3.036 2.339 1.766 2.583 . 0 0 "[ . 1]" 1
1274 1 37 VAL QG 2 10 LEU QD 1.935 . 2.381 2.064 1.711 2.179 . 0 0 "[ . 1]" 1
1275 1 37 VAL MG1 2 10 LEU HG 2.449 . 3.199 2.687 2.256 3.534 0.335 4 0 "[ . 1]" 1
1276 1 39 VAL MG2 2 10 LEU QD 2.865 . 3.891 3.783 3.712 3.843 . 0 0 "[ . 1]" 1
1277 1 59 LEU HB2 2 60 ILE MG 2.674 . 3.568 1.878 1.758 2.022 0.022 1 0 "[ . 1]" 1
1278 1 59 LEU QD 2 60 ILE QG 2.800 . 3.974 3.823 3.700 3.880 . 0 0 "[ . 1]" 1
1279 1 59 LEU QD 2 60 ILE HA 3.300 . 5.000 4.939 4.839 4.993 . 0 0 "[ . 1]" 1
1280 1 59 LEU QD 2 60 ILE MG 2.097 . 2.527 2.396 2.369 2.422 . 0 0 "[ . 1]" 1
1281 1 59 LEU QD 2 60 ILE HB 3.300 . 5.000 4.783 4.748 4.811 . 0 0 "[ . 1]" 1
1282 1 59 LEU HG 2 60 ILE MG 2.902 . 3.955 3.369 3.305 3.465 . 0 0 "[ . 1]" 1
1283 1 60 ILE HB 2 60 ILE MG 2.805 . 3.217 3.482 3.426 3.513 0.296 6 0 "[ . 1]" 1
1284 1 60 ILE MD 2 58 GLN QB 3.300 . 5.500 5.200 4.706 5.396 . 0 0 "[ . 1]" 1
1285 1 60 ILE MD 2 60 ILE HB 2.505 . 3.289 1.911 1.789 2.021 . 0 0 "[ . 1]" 1
1286 1 60 ILE MD 2 60 ILE MG 1.994 . 2.491 2.572 2.546 2.600 0.109 6 0 "[ . 1]" 1
1287 1 60 ILE MD 2 60 ILE QG 2.800 . 5.000 3.637 3.503 3.759 . 0 0 "[ . 1]" 1
1288 1 60 ILE MD 2 60 ILE HA 3.300 . 5.000 3.818 3.744 3.924 . 0 0 "[ . 1]" 1
1289 1 17 HIS HD2 2 2 MET ME 2.898 . 3.948 3.810 3.175 4.199 0.251 1 0 "[ . 1]" 1
1290 1 11 TYR QD 2 6 ALA HA 3.197 . 4.475 3.404 3.303 3.543 . 0 0 "[ . 1]" 1
1291 1 14 LEU QD 2 6 ALA HA 3.324 . 4.705 4.350 4.263 4.396 . 0 0 "[ . 1]" 1
1292 1 14 LEU HA 2 6 ALA MB 3.300 . 5.000 3.909 3.879 3.973 . 0 0 "[ . 1]" 1
1293 1 14 LEU QD 2 6 ALA MB 3.300 . 5.000 2.883 2.857 2.908 . 0 0 "[ . 1]" 1
1294 1 14 LEU QB 2 6 ALA MB 3.300 . 5.000 1.676 1.642 1.721 . 0 0 "[ . 1]" 1
1295 1 7 LEU QD 2 9 LEU MD2 3.300 . 5.000 4.051 3.977 4.135 . 0 0 "[ . 1]" 1
1296 1 14 LEU QD 2 9 LEU MD2 3.300 . 5.000 4.003 3.846 4.123 . 0 0 "[ . 1]" 1
1297 1 37 VAL MG1 2 10 LEU HA 3.142 . 4.376 3.054 2.803 3.257 . 0 0 "[ . 1]" 1
1298 1 15 ILE MD 2 10 LEU MD2 2.184 . 2.780 2.076 1.835 3.601 0.821 4 1 "[ +. 1]" 1
1299 1 31 LEU HA 2 10 LEU QD 5.000 . 5.500 3.090 2.971 3.337 . 0 0 "[ . 1]" 1
1300 1 32 ILE HG13 2 10 LEU QD 5.000 . 5.500 4.061 3.589 4.184 . 0 0 "[ . 1]" 1
1301 1 37 VAL MG1 2 11 ALA HA 3.255 . 4.579 4.172 4.133 4.251 . 0 0 "[ . 1]" 1
1302 1 35 ALA HA 2 11 ALA MB 5.000 . 5.500 3.790 3.599 4.009 . 0 0 "[ . 1]" 1
1303 1 37 VAL MG1 2 11 ALA MB 3.300 . 5.000 5.141 5.106 5.208 0.208 9 0 "[ . 1]" 1
1304 1 35 ALA MB 2 11 ALA MB 5.000 . 5.500 3.481 3.383 3.624 . 0 0 "[ . 1]" 1
1305 1 37 VAL QG 2 13 LEU HA 2.965 . 4.064 3.633 3.440 3.962 . 0 0 "[ . 1]" 1
1306 1 31 LEU HA 2 27 ILE HA 3.300 . 5.000 3.799 3.667 3.934 . 0 0 "[ . 1]" 1
1307 1 31 LEU HA 2 27 ILE MD 3.300 . 5.000 1.938 1.829 2.134 . 0 0 "[ . 1]" 1
1308 1 35 ALA MB 2 27 ILE MD 2.800 . 3.100 2.683 2.526 2.931 . 0 0 "[ . 1]" 1
1309 1 15 ILE MD 2 27 ILE MD 3.300 . 5.000 4.520 4.293 4.735 . 0 0 "[ . 1]" 1
1310 1 31 LEU HA 2 27 ILE MG 3.300 . 5.000 3.201 3.018 3.346 . 0 0 "[ . 1]" 1
1311 1 34 ALA MB 2 27 ILE MG 3.300 . 5.000 3.341 3.081 3.542 . 0 0 "[ . 1]" 1
1312 1 35 ALA MB 2 27 ILE MG 3.300 . 5.000 3.502 3.292 3.746 . 0 0 "[ . 1]" 1
1313 1 31 LEU MD1 2 28 LEU HA 4.400 2.700 4.700 3.021 2.899 3.404 . 0 0 "[ . 1]" 1
1314 1 15 ILE MG 2 28 LEU QD 3.300 . 6.000 3.254 2.967 3.582 . 0 0 "[ . 1]" 1
1315 1 30 ALA MB 2 30 SER HA 5.000 . 5.500 4.245 3.994 4.543 . 0 0 "[ . 1]" 1
1316 1 30 ALA HA 2 30 SER HA 5.000 . 5.500 5.210 4.904 5.384 . 0 0 "[ . 1]" 1
1317 1 27 LYS QD 2 31 VAL HB 3.300 . 5.000 3.093 2.648 4.731 . 0 0 "[ . 1]" 1
1318 1 16 LEU QD 2 31 VAL HB 3.300 . 5.000 2.958 2.904 3.029 . 0 0 "[ . 1]" 1
1319 1 21 VAL QG 2 31 VAL MG2 3.300 . 5.000 3.300 3.016 3.558 . 0 0 "[ . 1]" 1
1320 1 30 ALA HA 2 31 VAL QG 3.300 . 5.000 3.412 3.255 3.532 . 0 0 "[ . 1]" 1
1321 1 16 LEU QD 2 31 VAL QG 3.300 . 5.000 1.667 1.575 1.711 0.025 5 0 "[ . 1]" 1
1322 1 16 LEU HB2 2 31 VAL QG 3.300 . 5.000 3.424 3.354 3.467 . 0 0 "[ . 1]" 1
1323 1 27 LYS HA 2 31 VAL QG 3.300 . 5.000 2.551 2.164 2.729 . 0 0 "[ . 1]" 1
1324 1 19 ASP HA 2 33 ILE MD 3.300 . 5.000 4.438 4.234 5.028 0.028 9 0 "[ . 1]" 1
1325 1 15 ILE MG 2 33 ILE MD 3.600 . 3.900 2.848 2.213 3.063 . 0 0 "[ . 1]" 1
1326 1 16 LEU MD1 2 33 ILE MD 3.300 . 5.000 2.490 2.234 2.722 . 0 0 "[ . 1]" 1
1327 1 19 ASP HA 2 33 ILE MG 3.300 . 5.000 3.888 3.359 4.285 . 0 0 "[ . 1]" 1
1328 1 16 LEU QD 2 33 ILE MG 3.300 . 5.000 4.935 4.757 5.005 0.005 9 0 "[ . 1]" 1
1329 1 4 VAL MG2 2 53 GLU QB 2.920 . 3.986 3.579 3.231 3.974 . 0 0 "[ . 1]" 1
1330 1 7 LEU HG 2 53 GLU QG 3.300 . 5.000 4.775 4.621 4.897 . 0 0 "[ . 1]" 1
1331 1 4 VAL MG2 2 53 GLU QG 2.751 . 3.697 2.143 1.807 2.472 . 0 0 "[ . 1]" 1
1332 1 7 LEU MD2 2 53 GLU QG 3.101 . 4.303 2.266 1.975 2.428 . 0 0 "[ . 1]" 1
1333 1 7 LEU QB 2 53 GLU HG2 2.781 . 3.748 3.893 3.648 4.085 0.337 10 0 "[ . 1]" 1
1334 1 4 VAL HB 2 53 GLU QG 3.300 . 5.000 4.728 4.416 5.068 0.068 7 0 "[ . 1]" 1
1335 1 7 LEU QD 2 56 ILE MG 2.175 . 2.766 2.520 2.313 2.721 . 0 0 "[ . 1]" 1
1336 1 7 LEU QD 2 57 ALA MB 2.753 . 3.701 3.205 3.105 3.294 . 0 0 "[ . 1]" 1
1337 1 7 LEU QB 2 57 ALA MB 5.000 . 5.500 5.454 5.343 5.489 . 0 0 "[ . 1]" 1
1338 1 7 LEU HA 2 60 ILE MD 3.300 . 5.000 4.873 4.700 5.021 0.021 4 0 "[ . 1]" 1
1339 1 59 LEU QD 2 60 ILE MD 3.300 . 5.000 5.005 4.886 5.066 0.066 8 0 "[ . 1]" 1
1340 1 60 ILE HB 2 60 ILE MD 3.300 . 5.000 4.625 4.400 4.834 . 0 0 "[ . 1]" 1
1341 1 60 ILE HG13 2 60 ILE MD 2.182 . 2.777 2.269 2.006 2.532 . 0 0 "[ . 1]" 1
1342 1 60 ILE HG13 2 60 ILE MG 2.247 . 2.878 2.906 2.880 2.944 0.066 1 0 "[ . 1]" 1
1343 1 10 ILE MG 2 60 ILE MG 2.091 . 2.637 2.106 2.056 2.181 . 0 0 "[ . 1]" 1
1344 1 10 ILE QG 2 60 ILE MG 2.315 . 2.985 3.040 3.013 3.088 0.103 9 0 "[ . 1]" 1
1345 1 56 ILE HG12 2 63 LEU QD 2.874 . 3.906 3.714 3.473 3.870 . 0 0 "[ . 1]" 1
1346 1 11 TYR HE1 2 56 ILE MG 3.000 . 4.125 1.751 1.717 1.801 0.158 8 0 "[ . 1]" 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 610
_Distance_constraint_stats_list.Viol_count 955
_Distance_constraint_stats_list.Viol_total 1069.719
_Distance_constraint_stats_list.Viol_max 0.981
_Distance_constraint_stats_list.Viol_rms 0.0574
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0175
_Distance_constraint_stats_list.Viol_average_violations_only 0.1120
_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 2 ALA 0.000 0.000 . 0 "[ . 1]"
1 3 SER 4.449 0.810 5 2 "[ + -]"
1 4 VAL 3.260 0.810 5 2 "[ + -]"
1 5 SER 2.944 0.199 8 0 "[ . 1]"
1 6 GLU 1.714 0.199 8 0 "[ . 1]"
1 7 LEU 0.000 0.000 . 0 "[ . 1]"
1 8 ALA 0.000 0.000 . 0 "[ . 1]"
1 9 CYS 1.906 0.150 3 0 "[ . 1]"
1 10 ILE 2.441 0.150 3 0 "[ . 1]"
1 11 TYR 2.990 0.204 4 0 "[ . 1]"
1 12 SER 0.310 0.065 5 0 "[ . 1]"
1 13 ALA 0.000 0.000 . 0 "[ . 1]"
1 14 LEU 6.061 0.255 10 0 "[ . 1]"
1 15 ILE 2.869 0.252 7 0 "[ . 1]"
1 16 LEU 0.715 0.090 4 0 "[ . 1]"
1 17 HIS 0.410 0.090 4 0 "[ . 1]"
1 18 ASP 0.000 0.000 . 0 "[ . 1]"
1 19 ASP 0.652 0.094 3 0 "[ . 1]"
1 20 GLU 0.401 0.088 5 0 "[ . 1]"
1 21 VAL 3.982 0.253 2 0 "[ . 1]"
1 22 THR 5.150 0.253 2 0 "[ . 1]"
1 23 VAL 1.497 0.176 5 0 "[ . 1]"
1 24 THR 0.000 0.000 . 0 "[ . 1]"
1 25 GLU 0.000 0.000 . 0 "[ . 1]"
1 26 ASP 2.134 0.544 1 4 "[+- *. * 1]"
1 27 LYS 2.033 0.981 6 2 "[ - .+ 1]"
1 28 ILE 0.000 0.000 . 0 "[ . 1]"
1 29 ASN 0.195 0.057 4 0 "[ . 1]"
1 30 ALA 0.000 0.000 . 0 "[ . 1]"
1 31 LEU 0.000 0.000 . 0 "[ . 1]"
1 32 ILE 0.310 0.065 5 0 "[ . 1]"
1 33 LYS 0.467 0.102 10 0 "[ . 1]"
1 34 ALA 0.000 0.000 . 0 "[ . 1]"
1 35 ALA 0.000 0.000 . 0 "[ . 1]"
1 36 GLY 0.189 0.039 4 0 "[ . 1]"
1 37 VAL 1.558 0.120 9 0 "[ . 1]"
1 38 ASN 1.704 0.206 1 0 "[ . 1]"
1 39 VAL 5.244 0.229 7 0 "[ . 1]"
1 40 GLU 3.369 0.239 3 0 "[ . 1]"
1 41 PRO 2.701 0.229 6 0 "[ . 1]"
1 42 PHE 0.445 0.069 9 0 "[ . 1]"
1 43 TRP 3.217 0.239 3 0 "[ . 1]"
1 44 PRO 0.083 0.037 4 0 "[ . 1]"
1 45 GLY 0.083 0.037 4 0 "[ . 1]"
1 46 LEU 1.618 0.147 1 0 "[ . 1]"
1 47 PHE 0.000 0.000 . 0 "[ . 1]"
1 48 ALA 0.159 0.058 6 0 "[ . 1]"
1 49 LYS 0.005 0.005 9 0 "[ . 1]"
1 50 ALA 0.000 0.000 . 0 "[ . 1]"
1 51 LEU 0.056 0.026 10 0 "[ . 1]"
1 52 ALA 0.000 0.000 . 0 "[ . 1]"
1 53 ASN 0.000 0.000 . 0 "[ . 1]"
1 54 VAL 0.727 0.142 9 0 "[ . 1]"
1 55 ASN 1.139 0.142 9 0 "[ . 1]"
1 56 ILE 0.000 0.000 . 0 "[ . 1]"
1 57 GLY 1.224 0.142 4 0 "[ . 1]"
1 58 SER 1.566 0.142 4 0 "[ . 1]"
1 59 LEU 0.036 0.009 1 0 "[ . 1]"
1 60 ILE 0.000 0.000 . 0 "[ . 1]"
1 61 CYS 0.968 0.270 3 0 "[ . 1]"
1 62 ASN 0.968 0.270 3 0 "[ . 1]"
1 63 VAL 1.168 0.200 5 0 "[ . 1]"
1 64 GLY 0.849 0.200 5 0 "[ . 1]"
1 65 ALA 0.237 0.111 4 0 "[ . 1]"
1 66 GLY 0.237 0.111 4 0 "[ . 1]"
1 68 PRO 0.000 0.000 . 0 "[ . 1]"
1 69 ALA 0.000 0.000 . 0 "[ . 1]"
2 4 TYR 1.032 0.201 3 0 "[ . 1]"
2 5 VAL 0.194 0.194 5 0 "[ . 1]"
2 6 ALA 0.103 0.075 9 0 "[ . 1]"
2 7 SER 0.194 0.194 5 0 "[ . 1]"
2 8 TYR 3.373 0.206 1 0 "[ . 1]"
2 9 LEU 3.519 0.206 1 0 "[ . 1]"
2 10 LEU 0.000 0.000 . 0 "[ . 1]"
2 11 ALA 0.000 0.000 . 0 "[ . 1]"
2 12 ALA 0.406 0.074 1 0 "[ . 1]"
2 13 LEU 0.408 0.087 6 0 "[ . 1]"
2 14 GLY 0.297 0.071 1 0 "[ . 1]"
2 15 GLY 0.154 0.074 1 0 "[ . 1]"
2 16 ASN 1.911 0.250 6 0 "[ . 1]"
2 17 SER 3.929 0.250 6 0 "[ . 1]"
2 18 SER 2.089 0.238 10 0 "[ . 1]"
2 19 PRO 0.001 0.001 10 0 "[ . 1]"
2 20 SER 3.591 0.302 9 0 "[ . 1]"
2 21 ALA 6.092 0.302 9 0 "[ . 1]"
2 22 LYS 2.595 0.292 4 0 "[ . 1]"
2 23 ASP 4.025 0.268 4 0 "[ . 1]"
2 24 ILE 0.000 0.000 . 0 "[ . 1]"
2 25 LYS 2.755 0.297 6 0 "[ . 1]"
2 26 LYS 3.363 0.257 8 0 "[ . 1]"
2 27 ILE 0.000 0.000 . 0 "[ . 1]"
2 28 LEU 0.000 0.000 . 0 "[ . 1]"
2 29 ASP 0.189 0.063 1 0 "[ . 1]"
2 30 SER 0.000 0.000 . 0 "[ . 1]"
2 31 VAL 0.000 0.000 . 0 "[ . 1]"
2 32 GLY 0.000 0.000 . 0 "[ . 1]"
2 33 ILE 7.181 0.839 9 1 "[ . +1]"
2 34 GLU 0.000 0.000 . 0 "[ . 1]"
2 35 ALA 0.000 0.000 . 0 "[ . 1]"
2 36 ASP 0.401 0.071 9 0 "[ . 1]"
2 37 ASP 1.874 0.091 5 0 "[ . 1]"
2 38 ASP 3.063 0.176 10 0 "[ . 1]"
2 39 ARG 2.878 0.183 6 0 "[ . 1]"
2 40 LEU 2.202 0.129 7 0 "[ . 1]"
2 41 ASN 2.715 0.156 1 0 "[ . 1]"
2 42 LYS 1.123 0.119 4 0 "[ . 1]"
2 43 VAL 1.916 0.216 5 0 "[ . 1]"
2 44 ILE 8.155 0.377 8 0 "[ . 1]"
2 45 SER 4.542 0.377 8 0 "[ . 1]"
2 46 GLU 2.123 0.835 9 1 "[ . +1]"
2 47 LEU 2.306 0.181 6 0 "[ . 1]"
2 48 ASN 0.248 0.067 10 0 "[ . 1]"
2 49 GLY 0.248 0.067 10 0 "[ . 1]"
2 50 LYS 0.000 0.000 . 0 "[ . 1]"
2 51 ASN 1.664 0.235 7 0 "[ . 1]"
2 52 ILE 2.738 0.235 7 0 "[ . 1]"
2 53 GLU 1.684 0.230 3 0 "[ . 1]"
2 54 ASP 0.000 0.000 . 0 "[ . 1]"
2 55 VAL 0.000 0.000 . 0 "[ . 1]"
2 56 ILE 1.960 0.230 3 0 "[ . 1]"
2 57 ALA 0.000 0.000 . 0 "[ . 1]"
2 58 GLN 0.726 0.086 10 0 "[ . 1]"
2 59 GLY 0.013 0.013 8 0 "[ . 1]"
2 60 ILE 2.491 0.224 5 0 "[ . 1]"
2 61 GLY 1.273 0.250 1 0 "[ . 1]"
2 62 LYS 1.639 0.242 10 0 "[ . 1]"
2 63 LEU 3.001 0.262 3 0 "[ . 1]"
2 64 ALA 0.980 0.467 9 0 "[ . 1]"
2 65 SER 0.513 0.143 2 0 "[ . 1]"
2 66 VAL 2.504 0.268 9 0 "[ . 1]"
2 67 PRO 0.000 0.000 . 0 "[ . 1]"
2 68 ALA 0.000 0.000 . 0 "[ . 1]"
2 69 GLY 0.234 0.138 7 0 "[ . 1]"
2 70 GLY 0.234 0.138 7 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 SER H 1 3 SER HB2 2.880 . 3.917 2.854 2.568 3.627 . 0 0 "[ . 1]" 2
2 1 3 SER H 1 3 SER HA 2.219 . 2.834 2.878 2.854 2.907 0.073 1 0 "[ . 1]" 2
3 1 3 SER H 1 6 GLU H 3.352 . 4.756 4.272 4.008 4.491 . 0 0 "[ . 1]" 2
4 1 3 SER H 1 4 VAL H 3.288 . 4.639 4.478 4.372 4.535 . 0 0 "[ . 1]" 2
5 1 4 VAL H 1 4 VAL HB 2.607 . 3.077 2.135 2.106 2.164 . 0 0 "[ . 1]" 2
6 1 4 VAL H 1 4 VAL HA 2.964 . 3.470 2.747 2.715 2.781 . 0 0 "[ . 1]" 2
7 1 3 SER HB3 1 4 VAL H 2.995 . 3.918 3.364 3.008 4.018 0.100 10 0 "[ . 1]" 2
8 1 3 SER HA 1 4 VAL H 2.408 . 2.892 2.111 2.081 2.134 . 0 0 "[ . 1]" 2
9 1 4 VAL H 1 5 SER H 2.997 . 3.499 2.846 2.722 2.978 . 0 0 "[ . 1]" 2
10 1 4 VAL HB 1 5 SER H 2.662 . 3.494 3.212 3.143 3.283 . 0 0 "[ . 1]" 2
11 1 5 SER H 1 6 GLU HA 3.300 . 5.000 5.171 5.155 5.199 0.199 8 0 "[ . 1]" 2
12 1 4 VAL HA 1 5 SER H 3.177 . 4.439 3.494 3.462 3.530 . 0 0 "[ . 1]" 2
13 1 3 SER HA 1 5 SER H 2.834 . 3.838 3.898 3.745 4.011 0.173 9 0 "[ . 1]" 2
14 1 5 SER H 1 6 GLU H 2.772 . 3.732 2.572 2.531 2.666 . 0 0 "[ . 1]" 2
15 1 7 LEU H 1 7 LEU HA 2.930 . 3.797 2.768 2.746 2.789 . 0 0 "[ . 1]" 2
16 1 6 GLU H 1 7 LEU H 2.826 . 3.824 2.741 2.530 2.840 . 0 0 "[ . 1]" 2
17 1 7 LEU H 1 8 ALA H 2.831 . 3.558 2.815 2.775 2.893 . 0 0 "[ . 1]" 2
18 1 7 LEU HB3 1 8 ALA H 2.359 . 3.055 2.836 2.720 2.923 . 0 0 "[ . 1]" 2
19 1 7 LEU HA 1 8 ALA H 3.099 . 4.299 3.560 3.544 3.574 . 0 0 "[ . 1]" 2
20 1 8 ALA H 1 8 ALA HA 2.629 . 3.493 2.838 2.819 2.850 . 0 0 "[ . 1]" 2
21 1 8 ALA H 1 9 CYS H 2.679 . 3.576 2.583 2.541 2.672 . 0 0 "[ . 1]" 2
22 1 9 CYS H 1 10 ILE HB 3.031 . 4.179 4.301 4.283 4.329 0.150 3 0 "[ . 1]" 2
23 1 6 GLU HA 1 9 CYS H 3.262 . 4.592 3.541 3.465 3.626 . 0 0 "[ . 1]" 2
24 1 7 LEU HA 1 9 CYS H 3.336 . 4.727 4.268 4.207 4.338 . 0 0 "[ . 1]" 2
25 1 9 CYS H 1 9 CYS HA 2.772 . 3.733 2.852 2.840 2.863 . 0 0 "[ . 1]" 2
26 1 9 CYS H 1 10 ILE H 2.870 . 3.447 2.436 2.403 2.461 . 0 0 "[ . 1]" 2
27 1 7 LEU HA 1 10 ILE H 2.649 . 3.526 3.358 3.312 3.396 . 0 0 "[ . 1]" 2
28 1 9 CYS HA 1 10 ILE H 3.143 . 3.836 3.498 3.484 3.511 . 0 0 "[ . 1]" 2
29 1 10 ILE H 1 11 TYR H 2.786 . 3.356 2.912 2.865 2.950 . 0 0 "[ . 1]" 2
30 1 10 ILE HB 1 11 TYR H 2.658 . 3.541 2.295 2.246 2.335 . 0 0 "[ . 1]" 2
31 1 8 ALA HA 1 11 TYR H 3.040 . 4.196 3.158 3.092 3.363 . 0 0 "[ . 1]" 2
32 1 11 TYR H 1 11 TYR HA 2.936 . 3.433 2.846 2.832 2.856 . 0 0 "[ . 1]" 2
33 1 11 TYR H 1 11 TYR HD1 2.856 . 3.875 3.567 3.481 3.632 . 0 0 "[ . 1]" 2
34 1 9 CYS H 1 11 TYR H 3.388 . 4.823 3.972 3.924 4.062 . 0 0 "[ . 1]" 2
35 1 8 ALA HA 1 12 SER H 3.300 . 5.000 3.985 3.890 4.129 . 0 0 "[ . 1]" 2
36 1 12 SER H 1 12 SER HA 2.565 . 3.387 2.786 2.773 2.795 . 0 0 "[ . 1]" 2
37 1 12 SER H 1 13 ALA H 2.659 . 3.500 2.732 2.689 2.801 . 0 0 "[ . 1]" 2
38 1 11 TYR H 1 12 SER H 2.727 . 3.657 2.701 2.679 2.726 . 0 0 "[ . 1]" 2
39 1 11 TYR HA 1 12 SER H 3.402 . 4.849 3.577 3.557 3.591 . 0 0 "[ . 1]" 2
40 1 9 CYS HA 1 13 ALA H 3.300 . 5.000 4.058 3.865 4.239 . 0 0 "[ . 1]" 2
41 1 10 ILE HA 1 13 ALA H 3.215 . 4.507 3.902 3.802 4.093 . 0 0 "[ . 1]" 2
42 1 14 LEU H 1 14 LEU HB2 2.483 . 3.253 2.091 2.067 2.110 . 0 0 "[ . 1]" 2
43 1 14 LEU H 1 14 LEU HA 2.800 . 3.685 2.814 2.805 2.827 . 0 0 "[ . 1]" 2
44 1 11 TYR HA 1 14 LEU H 3.226 . 4.527 2.871 2.819 2.930 . 0 0 "[ . 1]" 2
45 1 14 LEU H 1 15 ILE H 2.921 . 3.987 2.801 2.751 2.839 . 0 0 "[ . 1]" 2
46 1 15 ILE H 1 16 LEU H 2.978 . 4.087 2.731 2.655 2.785 . 0 0 "[ . 1]" 2
47 1 16 LEU H 1 16 LEU HA 2.907 . 3.839 2.777 2.757 2.791 . 0 0 "[ . 1]" 2
48 1 16 LEU H 1 17 HIS H 3.005 . 4.134 2.737 2.691 2.815 . 0 0 "[ . 1]" 2
49 1 16 LEU HG 1 17 HIS H 3.328 . 4.712 4.651 4.513 4.802 0.090 4 0 "[ . 1]" 2
50 1 13 ALA HA 1 17 HIS H 3.249 . 4.569 4.097 3.853 4.334 . 0 0 "[ . 1]" 2
51 1 17 HIS H 1 17 HIS HA 2.982 . 4.094 2.869 2.856 2.897 . 0 0 "[ . 1]" 2
52 1 15 ILE H 1 17 HIS H 3.211 . 4.500 4.082 3.910 4.156 . 0 0 "[ . 1]" 2
53 1 18 ASP H 1 18 ASP HA 2.599 . 3.378 2.849 2.803 2.879 . 0 0 "[ . 1]" 2
54 1 18 ASP H 1 19 ASP H 2.728 . 3.658 2.574 2.365 2.748 . 0 0 "[ . 1]" 2
55 1 17 HIS H 1 18 ASP H 2.873 . 3.905 2.581 2.495 2.647 . 0 0 "[ . 1]" 2
56 1 16 LEU HA 1 19 ASP H 2.902 . 3.954 3.961 3.893 4.031 0.077 2 0 "[ . 1]" 2
57 1 18 ASP HA 1 19 ASP H 2.895 . 3.943 3.533 3.475 3.558 . 0 0 "[ . 1]" 2
58 1 19 ASP H 1 19 ASP HA 2.794 . 3.770 2.931 2.914 2.944 . 0 0 "[ . 1]" 2
59 1 19 ASP H 1 20 GLU H 2.292 . 2.949 2.054 1.932 2.169 . 0 0 "[ . 1]" 2
60 1 20 GLU H 1 20 GLU HA 2.213 . 2.549 2.239 2.229 2.247 . 0 0 "[ . 1]" 2
61 1 17 HIS HA 1 20 GLU H 2.812 . 3.801 2.917 2.713 3.074 . 0 0 "[ . 1]" 2
62 1 19 ASP HA 1 20 GLU H 2.810 . 3.688 3.268 3.231 3.311 . 0 0 "[ . 1]" 2
63 1 21 VAL H 1 21 VAL HB 2.337 . 3.020 2.852 2.759 2.924 . 0 0 "[ . 1]" 2
64 1 20 GLU HA 1 21 VAL H 2.466 . 3.226 2.538 2.469 2.624 . 0 0 "[ . 1]" 2
65 1 21 VAL H 1 21 VAL HA 2.636 . 3.309 2.910 2.900 2.919 . 0 0 "[ . 1]" 2
66 1 17 HIS HA 1 21 VAL H 2.874 . 3.907 3.905 3.764 3.967 0.060 5 0 "[ . 1]" 2
67 1 19 ASP HA 1 21 VAL H 3.300 . 5.000 5.045 5.006 5.094 0.094 3 0 "[ . 1]" 2
68 1 19 ASP H 1 21 VAL H 2.897 . 3.946 3.750 3.617 3.867 . 0 0 "[ . 1]" 2
69 1 21 VAL H 1 22 THR H 3.024 . 4.167 4.399 4.367 4.420 0.253 2 0 "[ . 1]" 2
70 1 21 VAL HB 1 22 THR H 2.800 . 3.800 3.718 3.638 3.793 . 0 0 "[ . 1]" 2
71 1 22 THR H 1 22 THR HB 2.800 . 3.800 3.594 3.579 3.617 . 0 0 "[ . 1]" 2
72 1 21 VAL HA 1 22 THR H 2.043 . 2.503 2.453 2.240 2.599 0.096 9 0 "[ . 1]" 2
73 1 22 THR H 1 23 VAL H 3.300 . 4.794 4.533 4.474 4.571 . 0 0 "[ . 1]" 2
74 1 23 VAL H 1 23 VAL HA 2.922 . 3.925 2.932 2.913 2.947 . 0 0 "[ . 1]" 2
75 1 22 THR HB 1 23 VAL H . . 3.255 2.934 2.785 3.157 . 0 0 "[ . 1]" 2
76 1 23 VAL H 1 24 THR H 3.288 . 4.516 4.204 4.130 4.273 . 0 0 "[ . 1]" 2
77 1 23 VAL HB 1 24 THR H 3.181 . 4.446 4.333 4.307 4.350 . 0 0 "[ . 1]" 2
78 1 23 VAL HA 1 24 THR H 2.225 . 2.844 2.153 2.133 2.179 . 0 0 "[ . 1]" 2
79 1 24 THR H 1 24 THR HA 2.790 . 3.763 2.920 2.914 2.930 . 0 0 "[ . 1]" 2
80 1 24 THR H 1 27 LYS H 3.144 . 4.379 3.425 3.250 3.621 . 0 0 "[ . 1]" 2
81 1 24 THR H 1 25 GLU H 3.438 . 4.916 4.391 4.362 4.424 . 0 0 "[ . 1]" 2
82 1 25 GLU H 1 25 GLU HA 2.742 . 3.513 2.777 2.762 2.794 . 0 0 "[ . 1]" 2
83 1 24 THR HA 1 25 GLU H 2.335 . 3.017 2.330 2.286 2.406 . 0 0 "[ . 1]" 2
84 1 25 GLU H 1 26 ASP H 2.688 . 3.394 2.757 2.672 2.837 . 0 0 "[ . 1]" 2
85 1 25 GLU HA 1 26 ASP H 2.997 . 3.643 3.523 3.501 3.544 . 0 0 "[ . 1]" 2
86 1 26 ASP H 1 26 ASP HA 2.461 . 3.218 2.816 2.784 2.837 . 0 0 "[ . 1]" 2
87 1 24 THR HB 1 26 ASP H 2.625 . 3.486 2.872 2.727 3.022 . 0 0 "[ . 1]" 2
88 1 26 ASP H 1 27 LYS H 2.541 . 3.348 2.654 2.556 2.780 . 0 0 "[ . 1]" 2
89 1 25 GLU HA 1 27 LYS H 3.351 . 4.755 4.124 4.023 4.223 . 0 0 "[ . 1]" 2
90 1 27 LYS H 1 27 LYS HA 2.749 . 3.501 2.835 2.821 2.849 . 0 0 "[ . 1]" 2
91 1 26 ASP HA 1 27 LYS H 3.183 . 4.450 3.504 3.467 3.541 . 0 0 "[ . 1]" 2
92 1 24 THR HA 1 27 LYS H 3.350 . 4.753 4.339 4.276 4.404 . 0 0 "[ . 1]" 2
93 1 27 LYS H 1 28 ILE H 5.000 . 5.500 2.581 2.525 2.673 . 0 0 "[ . 1]" 2
94 1 27 LYS HA 1 28 ILE H 5.000 . 5.500 3.524 3.518 3.533 . 0 0 "[ . 1]" 2
95 1 24 THR H 1 28 ILE H 5.000 . 5.500 3.651 3.477 3.805 . 0 0 "[ . 1]" 2
96 1 28 ILE H 1 29 ASN H 5.000 . 5.500 2.706 2.659 2.772 . 0 0 "[ . 1]" 2
97 1 28 ILE HB 1 29 ASN H 5.000 . 5.500 2.615 2.548 2.680 . 0 0 "[ . 1]" 2
98 1 27 LYS HA 1 29 ASN H 3.189 . 4.460 4.470 4.413 4.517 0.057 4 0 "[ . 1]" 2
99 1 29 ASN H 1 29 ASN HA 2.448 . 3.197 2.813 2.790 2.842 . 0 0 "[ . 1]" 2
100 1 29 ASN H 1 31 LEU H 5.000 . 5.500 4.318 4.198 4.362 . 0 0 "[ . 1]" 2
101 1 29 ASN H 1 30 ALA H 5.000 . 5.500 2.672 2.570 2.778 . 0 0 "[ . 1]" 2
102 1 28 ILE HA 1 30 ALA H 5.000 . 5.500 4.260 4.169 4.426 . 0 0 "[ . 1]" 2
103 1 30 ALA H 1 31 LEU H 5.000 . 5.500 2.781 2.681 2.838 . 0 0 "[ . 1]" 2
104 1 31 LEU H 1 31 LEU HG 5.000 . 5.500 4.121 4.086 4.184 . 0 0 "[ . 1]" 2
105 1 28 ILE HA 1 31 LEU H 5.000 . 5.500 3.366 3.261 3.514 . 0 0 "[ . 1]" 2
106 1 31 LEU H 1 32 ILE H 5.000 . 5.500 2.751 2.643 2.797 . 0 0 "[ . 1]" 2
107 1 32 ILE H 1 32 ILE HG13 5.000 . 5.500 2.249 2.175 2.325 . 0 0 "[ . 1]" 2
108 1 31 LEU HA 1 32 ILE H 5.000 . 5.500 3.528 3.519 3.534 . 0 0 "[ . 1]" 2
109 1 29 ASN HA 1 32 ILE H 5.000 . 5.500 3.361 3.071 3.672 . 0 0 "[ . 1]" 2
110 1 32 ILE H 1 33 LYS H 5.000 . 5.500 2.927 2.897 2.954 . 0 0 "[ . 1]" 2
111 1 33 LYS H 1 33 LYS HB2 2.067 . 2.598 2.505 2.258 2.700 0.102 10 0 "[ . 1]" 2
112 1 32 ILE HA 1 33 LYS H 5.000 . 5.500 3.552 3.534 3.558 . 0 0 "[ . 1]" 2
113 1 33 LYS HB2 1 34 ALA H 5.000 . 5.500 3.411 2.699 4.022 . 0 0 "[ . 1]" 2
114 1 31 LEU H 1 34 ALA H 5.000 . 5.500 4.732 4.615 4.835 . 0 0 "[ . 1]" 2
115 1 34 ALA H 1 35 ALA H 5.000 . 5.500 2.674 2.574 2.793 . 0 0 "[ . 1]" 2
116 1 32 ILE HA 1 35 ALA H 5.000 . 5.500 4.071 3.964 4.164 . 0 0 "[ . 1]" 2
117 1 35 ALA H 1 37 VAL H 5.000 . 5.500 3.921 3.783 4.044 . 0 0 "[ . 1]" 2
118 1 36 GLY H 1 37 VAL H 2.331 . 3.010 2.160 2.118 2.197 . 0 0 "[ . 1]" 2
119 1 34 ALA H 1 36 GLY H 5.000 . 5.500 3.907 3.783 4.028 . 0 0 "[ . 1]" 2
120 1 37 VAL H 1 37 VAL HB 2.388 . 3.101 3.205 3.161 3.221 0.120 9 0 "[ . 1]" 2
121 1 37 VAL H 1 37 VAL HA 2.466 . 3.226 2.940 2.937 2.942 . 0 0 "[ . 1]" 2
122 1 32 ILE HA 1 37 VAL H 5.000 . 5.500 3.480 3.300 3.572 . 0 0 "[ . 1]" 2
123 1 37 VAL H 1 38 ASN H 3.279 . 4.448 4.274 4.217 4.312 . 0 0 "[ . 1]" 2
124 1 37 VAL HB 1 38 ASN H 3.233 . 4.539 4.101 4.074 4.126 . 0 0 "[ . 1]" 2
125 1 37 VAL HA 1 38 ASN H 2.195 . 2.723 2.069 2.022 2.096 . 0 0 "[ . 1]" 2
126 1 38 ASN H 1 38 ASN HA 2.673 . 3.566 2.925 2.909 2.939 . 0 0 "[ . 1]" 2
127 1 38 ASN H 1 39 VAL H 3.212 . 4.502 4.517 4.474 4.531 0.029 5 0 "[ . 1]" 2
128 1 39 VAL H 1 39 VAL HB 2.594 . 3.435 2.531 2.480 2.565 . 0 0 "[ . 1]" 2
129 1 39 VAL H 1 39 VAL HA 2.587 . 3.354 2.928 2.923 2.931 . 0 0 "[ . 1]" 2
130 1 38 ASN HA 1 39 VAL H 2.021 . 2.532 2.320 2.250 2.436 . 0 0 "[ . 1]" 2
131 1 39 VAL HB 1 40 GLU H 3.300 . 5.000 3.717 3.669 3.789 . 0 0 "[ . 1]" 2
132 1 39 VAL HA 1 40 GLU H 3.300 . 5.000 2.377 2.341 2.425 . 0 0 "[ . 1]" 2
133 1 40 GLU H 1 43 TRP HD1 3.065 . 4.239 2.700 2.460 2.774 . 0 0 "[ . 1]" 2
134 1 39 VAL H 1 40 GLU H 3.584 . 5.189 4.439 4.414 4.456 . 0 0 "[ . 1]" 2
135 1 41 PRO HA 1 42 PHE H 3.179 . 3.723 3.547 3.522 3.559 . 0 0 "[ . 1]" 2
136 1 42 PHE H 1 43 TRP H 2.798 . 3.776 2.618 2.588 2.640 . 0 0 "[ . 1]" 2
137 1 44 PRO HB3 1 45 GLY H 2.808 . 3.793 3.794 3.770 3.830 0.037 4 0 "[ . 1]" 2
138 1 45 GLY H 1 46 LEU H 2.940 . 3.394 2.902 2.844 2.953 . 0 0 "[ . 1]" 2
139 1 46 LEU H 1 46 LEU HB3 2.509 . 3.296 2.089 2.054 2.131 . 0 0 "[ . 1]" 2
140 1 46 LEU H 1 46 LEU HA 2.583 . 3.117 2.821 2.810 2.836 . 0 0 "[ . 1]" 2
141 1 43 TRP HA 1 46 LEU H 3.115 . 3.511 3.453 3.363 3.559 0.048 9 0 "[ . 1]" 2
142 1 46 LEU H 1 47 PHE H 2.606 . 3.455 2.622 2.569 2.663 . 0 0 "[ . 1]" 2
143 1 46 LEU HB3 1 47 PHE H 3.276 . 4.617 3.080 2.940 3.201 . 0 0 "[ . 1]" 2
144 1 47 PHE H 1 47 PHE HB2 3.136 . 3.553 2.128 2.111 2.151 . 0 0 "[ . 1]" 2
145 1 47 PHE H 1 48 ALA H 2.926 . 3.699 2.605 2.510 2.727 . 0 0 "[ . 1]" 2
146 1 48 ALA H 1 48 ALA HA 2.519 . 3.312 2.832 2.822 2.839 . 0 0 "[ . 1]" 2
147 1 46 LEU HA 1 48 ALA H 3.189 . 4.460 4.454 4.391 4.518 0.058 6 0 "[ . 1]" 2
148 1 48 ALA H 1 49 LYS H 2.523 . 3.319 2.484 2.455 2.518 . 0 0 "[ . 1]" 2
149 1 49 LYS H 1 49 LYS HB2 2.138 . 2.542 2.280 2.194 2.330 . 0 0 "[ . 1]" 2
150 1 48 ALA HA 1 49 LYS H 2.796 . 3.773 3.467 3.446 3.480 . 0 0 "[ . 1]" 2
151 1 49 LYS H 1 49 LYS HA 2.374 . 3.078 2.812 2.789 2.835 . 0 0 "[ . 1]" 2
152 1 48 ALA HA 1 51 LEU H 2.877 . 3.911 3.842 3.687 3.937 0.026 10 0 "[ . 1]" 2
153 1 50 ALA HA 1 51 LEU H 2.863 . 3.888 3.560 3.539 3.598 . 0 0 "[ . 1]" 2
154 1 51 LEU H 1 51 LEU HA 2.851 . 3.867 2.836 2.814 2.867 . 0 0 "[ . 1]" 2
155 1 51 LEU H 1 52 ALA H 2.565 . 3.327 2.780 2.647 3.277 . 0 0 "[ . 1]" 2
156 1 51 LEU H 1 53 ASN H 3.313 . 4.685 4.314 4.164 4.679 . 0 0 "[ . 1]" 2
157 1 52 ALA H 1 53 ASN HA 5.000 . 5.500 4.969 4.378 5.123 . 0 0 "[ . 1]" 2
158 1 52 ALA H 1 53 ASN H 5.000 . 5.500 2.320 1.612 2.520 . 0 0 "[ . 1]" 2
159 1 52 ALA HA 1 53 ASN H 5.000 . 5.500 3.315 3.143 3.448 . 0 0 "[ . 1]" 2
160 1 53 ASN H 1 53 ASN HA 2.811 . 3.798 2.936 2.918 2.953 . 0 0 "[ . 1]" 2
161 1 53 ASN H 1 54 VAL H 2.551 . 3.091 1.974 1.893 2.072 . 0 0 "[ . 1]" 2
162 1 54 VAL H 1 54 VAL HB 3.400 2.536 3.700 3.682 3.646 3.720 0.020 2 0 "[ . 1]" 2
163 1 54 VAL H 1 54 VAL HA 2.660 . 3.511 2.911 2.885 2.937 . 0 0 "[ . 1]" 2
164 1 53 ASN HA 1 54 VAL H 2.704 . 3.618 3.542 3.493 3.562 . 0 0 "[ . 1]" 2
165 1 54 VAL H 1 55 ASN H 3.147 . 4.385 4.455 4.406 4.527 0.142 9 0 "[ . 1]" 2
166 1 54 VAL HA 1 55 ASN H 2.289 . 2.880 2.617 2.421 2.748 . 0 0 "[ . 1]" 2
167 1 56 ILE HB 1 57 GLY H 3.272 . 4.611 3.959 3.873 4.027 . 0 0 "[ . 1]" 2
168 1 57 GLY H 1 58 SER HA 3.445 . 4.929 5.046 5.004 5.071 0.142 4 0 "[ . 1]" 2
169 1 55 ASN HA 1 57 GLY H 3.165 . 4.417 4.257 3.958 4.449 0.032 7 0 "[ . 1]" 2
170 1 57 GLY H 1 58 SER H 2.567 . 3.332 2.495 2.458 2.529 . 0 0 "[ . 1]" 2
171 1 56 ILE H 1 57 GLY H 3.142 . 4.376 2.563 2.379 2.668 . 0 0 "[ . 1]" 2
172 1 58 SER H 1 58 SER HA 2.557 . 2.958 2.865 2.860 2.874 . 0 0 "[ . 1]" 2
173 1 55 ASN HA 1 58 SER H 3.254 . 4.578 4.591 4.414 4.693 0.115 1 0 "[ . 1]" 2
174 1 59 LEU H 1 59 LEU HG 2.108 . 2.663 2.223 2.182 2.257 . 0 0 "[ . 1]" 2
175 1 58 SER QB 1 59 LEU H 2.471 . 3.234 2.956 2.904 2.996 . 0 0 "[ . 1]" 2
176 1 59 LEU H 1 59 LEU HA 2.502 . 3.284 2.816 2.805 2.826 . 0 0 "[ . 1]" 2
177 1 60 ILE H 1 60 ILE HB 2.679 . 3.242 1.960 1.929 2.000 . 0 0 "[ . 1]" 2
178 1 60 ILE H 1 60 ILE HA 2.810 . 3.650 2.811 2.796 2.825 . 0 0 "[ . 1]" 2
179 1 60 ILE HB 1 61 CYS H 2.725 . 3.653 3.423 3.165 3.528 . 0 0 "[ . 1]" 2
180 1 61 CYS H 1 61 CYS HA 2.596 . 3.176 2.911 2.877 2.920 . 0 0 "[ . 1]" 2
181 1 61 CYS H 1 62 ASN HA 3.251 . 4.572 4.568 4.318 4.678 0.106 9 0 "[ . 1]" 2
182 1 60 ILE H 1 61 CYS H 2.638 . 3.508 2.566 2.477 2.635 . 0 0 "[ . 1]" 2
183 1 62 ASN H 1 62 ASN HA 2.459 . 3.215 2.695 2.179 2.861 . 0 0 "[ . 1]" 2
184 1 63 VAL H 1 63 VAL HB 3.300 . 5.000 3.380 2.629 3.778 . 0 0 "[ . 1]" 2
185 1 63 VAL H 1 63 VAL HA 2.419 . 3.028 2.846 2.297 2.939 . 0 0 "[ . 1]" 2
186 1 62 ASN H 1 63 VAL H 2.565 . 3.387 2.732 2.467 3.215 . 0 0 "[ . 1]" 2
187 1 63 VAL H 1 64 GLY H 2.604 . 3.452 2.935 2.472 3.504 0.052 4 0 "[ . 1]" 2
188 1 63 VAL HB 1 64 GLY H 3.300 . 5.000 4.444 4.327 4.621 . 0 0 "[ . 1]" 2
189 1 65 ALA H 1 65 ALA HA 2.621 . 3.480 2.652 2.252 2.949 . 0 0 "[ . 1]" 2
190 1 65 ALA H 1 66 GLY H 2.559 . 3.377 2.873 2.322 3.488 0.111 4 0 "[ . 1]" 2
191 1 65 ALA HA 1 66 GLY H 2.637 . 3.506 2.900 2.481 3.549 0.043 10 0 "[ . 1]" 2
192 1 68 PRO HA 1 69 ALA H 3.234 . 4.542 2.773 2.161 3.573 . 0 0 "[ . 1]" 2
193 1 6 GLU HA 1 43 TRP HE1 3.135 . 4.262 3.631 3.404 3.821 . 0 0 "[ . 1]" 2
194 1 40 GLU H 1 43 TRP HE1 3.269 . 4.605 4.739 4.495 4.844 0.239 3 0 "[ . 1]" 2
195 2 6 ALA H 2 7 SER H 3.172 . 4.289 2.634 2.559 2.695 . 0 0 "[ . 1]" 2
196 2 4 TYR HA 2 6 ALA H 3.270 . 4.607 3.716 3.601 3.850 . 0 0 "[ . 1]" 2
197 2 5 VAL HB 2 6 ALA H 2.877 . 3.911 2.478 2.296 3.440 . 0 0 "[ . 1]" 2
198 2 6 ALA H 2 8 TYR H 3.051 . 4.214 3.977 3.870 4.050 . 0 0 "[ . 1]" 2
199 2 5 VAL HB 2 7 SER H 3.300 . 5.000 4.909 4.781 5.194 0.194 5 0 "[ . 1]" 2
200 2 4 TYR HA 2 7 SER H 2.744 . 3.685 3.043 2.962 3.168 . 0 0 "[ . 1]" 2
201 2 5 VAL HA 2 7 SER H 3.566 . 5.156 4.554 4.188 4.664 . 0 0 "[ . 1]" 2
202 2 7 SER H 2 8 TYR H 2.914 . 3.975 2.522 2.299 2.563 . 0 0 "[ . 1]" 2
203 2 7 SER H 2 7 SER HA 2.875 . 3.908 2.813 2.795 2.880 . 0 0 "[ . 1]" 2
204 2 6 ALA HA 2 7 SER H 2.930 . 4.003 3.529 3.458 3.543 . 0 0 "[ . 1]" 2
205 2 7 SER HA 2 8 TYR H 3.273 . 4.612 3.488 3.474 3.498 . 0 0 "[ . 1]" 2
206 2 4 TYR HA 2 8 TYR H 3.395 . 4.836 4.414 4.325 4.495 . 0 0 "[ . 1]" 2
207 2 8 TYR H 2 8 TYR HA 2.826 . 3.391 2.816 2.806 2.822 . 0 0 "[ . 1]" 2
208 2 8 TYR HD1 2 9 LEU H 3.030 . 4.178 3.290 3.084 3.431 . 0 0 "[ . 1]" 2
209 2 8 TYR HB2 2 9 LEU H 3.372 . 4.110 3.629 3.554 3.696 . 0 0 "[ . 1]" 2
210 2 9 LEU H 2 9 LEU HG 2.873 . 3.904 4.006 3.989 4.037 0.133 1 0 "[ . 1]" 2
211 2 9 LEU H 2 9 LEU HA 2.864 . 3.889 2.764 2.754 2.773 . 0 0 "[ . 1]" 2
212 2 9 LEU HA 2 10 LEU H 2.972 . 4.076 3.553 3.540 3.568 . 0 0 "[ . 1]" 2
213 1 11 TYR HD2 2 10 LEU H 3.084 . 4.273 3.930 3.672 4.090 . 0 0 "[ . 1]" 2
214 2 11 ALA H 2 11 ALA HA 2.702 . 2.991 2.802 2.771 2.820 . 0 0 "[ . 1]" 2
215 2 9 LEU HA 2 12 ALA H 3.061 . 4.232 3.542 3.450 3.607 . 0 0 "[ . 1]" 2
216 2 11 ALA HA 2 12 ALA H 2.846 . 3.859 3.521 3.513 3.532 . 0 0 "[ . 1]" 2
217 2 12 ALA H 2 12 ALA HA 2.671 . 2.988 2.833 2.812 2.863 . 0 0 "[ . 1]" 2
218 2 8 TYR HA 2 12 ALA H 3.187 . 4.457 4.211 4.173 4.255 . 0 0 "[ . 1]" 2
219 2 13 LEU H 2 14 GLY H 3.102 . 3.354 2.365 2.263 2.465 . 0 0 "[ . 1]" 2
220 2 13 LEU H 2 13 LEU HA 2.730 . 3.146 2.879 2.852 2.898 . 0 0 "[ . 1]" 2
221 2 13 LEU H 2 13 LEU HB3 2.678 . 3.561 3.267 3.017 3.424 . 0 0 "[ . 1]" 2
222 2 14 GLY H 2 15 GLY H 2.547 . 3.215 2.639 2.489 2.825 . 0 0 "[ . 1]" 2
223 2 14 GLY H 2 16 ASN H 2.874 . 3.907 3.827 3.671 3.932 0.025 2 0 "[ . 1]" 2
224 2 12 ALA HA 2 14 GLY H 3.077 . 4.261 4.284 4.239 4.332 0.071 1 0 "[ . 1]" 2
225 2 15 GLY H 2 16 ASN H 2.319 . 2.979 1.827 1.653 2.091 . 0 0 "[ . 1]" 2
226 2 12 ALA HA 2 16 ASN H 3.300 . 5.000 2.737 2.551 2.863 . 0 0 "[ . 1]" 2
227 2 16 ASN H 2 17 SER HA 2.998 . 4.122 4.298 4.193 4.372 0.250 6 0 "[ . 1]" 2
228 2 16 ASN H 2 16 ASN HA 2.709 . 3.626 2.938 2.888 2.956 . 0 0 "[ . 1]" 2
229 2 16 ASN HA 2 17 SER H 2.159 . 2.742 2.169 2.115 2.223 . 0 0 "[ . 1]" 2
230 2 17 SER H 2 18 SER H . . 2.640 2.849 2.812 2.878 0.238 10 0 "[ . 1]" 2
231 2 16 ASN H 2 17 SER H 2.900 . 3.951 3.903 3.784 3.982 0.031 3 0 "[ . 1]" 2
232 2 17 SER H 2 17 SER HA 2.400 . 2.874 2.868 2.855 2.886 0.012 3 0 "[ . 1]" 2
233 2 18 SER H 2 19 PRO HD3 3.300 . 5.000 2.299 2.197 2.376 . 0 0 "[ . 1]" 2
234 2 18 SER H 2 18 SER HA 2.260 . 2.899 2.806 2.777 2.832 . 0 0 "[ . 1]" 2
235 2 17 SER HA 2 18 SER H 3.300 . 5.000 2.837 2.782 2.909 . 0 0 "[ . 1]" 2
236 2 20 SER H 2 24 ILE H 3.300 . 5.000 3.930 3.592 4.093 . 0 0 "[ . 1]" 2
237 2 20 SER H 2 23 ASP HB2 2.846 . 3.858 2.094 1.950 2.466 . 0 0 "[ . 1]" 2
238 2 16 ASN HD21 2 20 SER H 2.982 . 4.094 3.642 3.237 4.135 0.041 2 0 "[ . 1]" 2
239 2 20 SER H 2 20 SER HA 2.926 . 3.996 2.925 2.889 2.942 . 0 0 "[ . 1]" 2
240 2 20 SER H 2 23 ASP H 3.096 . 4.294 3.160 3.072 3.319 . 0 0 "[ . 1]" 2
241 2 20 SER HB3 2 21 ALA H 2.558 . 3.223 2.886 1.933 3.525 0.302 9 0 "[ . 1]" 2
242 2 21 ALA H 2 21 ALA HA 2.572 . 3.399 2.839 2.826 2.852 . 0 0 "[ . 1]" 2
243 2 21 ALA H 2 24 ILE H 3.300 . 5.000 4.614 4.524 4.722 . 0 0 "[ . 1]" 2
244 2 20 SER HA 2 21 ALA H 2.372 . 3.075 2.692 2.626 2.765 . 0 0 "[ . 1]" 2
245 2 21 ALA H 2 22 LYS HB2 2.920 . 3.986 4.222 4.170 4.278 0.292 4 0 "[ . 1]" 2
246 2 21 ALA H 2 22 LYS H 2.648 . 3.297 2.432 2.371 2.514 . 0 0 "[ . 1]" 2
247 2 22 LYS H 2 24 ILE H 3.300 . 5.000 4.073 3.957 4.191 . 0 0 "[ . 1]" 2
248 2 22 LYS H 2 23 ASP H 2.370 . 3.072 2.588 2.415 2.718 . 0 0 "[ . 1]" 2
249 2 20 SER HA 2 22 LYS H 3.300 . 5.000 4.574 4.431 4.787 . 0 0 "[ . 1]" 2
250 2 22 LYS H 2 22 LYS HA 2.319 . 2.991 2.800 2.768 2.836 . 0 0 "[ . 1]" 2
251 2 22 LYS H 2 25 LYS H 3.361 . 4.773 4.582 4.507 4.637 . 0 0 "[ . 1]" 2
252 2 22 LYS H 2 22 LYS HB2 2.074 . 2.612 2.172 2.119 2.210 . 0 0 "[ . 1]" 2
253 2 23 ASP H 2 25 LYS H 3.322 . 4.701 3.923 3.753 4.075 . 0 0 "[ . 1]" 2
254 2 22 LYS HB2 2 23 ASP H 2.325 . 3.001 2.867 2.737 2.972 . 0 0 "[ . 1]" 2
255 2 21 ALA H 2 23 ASP H 2.716 . 3.638 3.786 3.701 3.855 0.217 1 0 "[ . 1]" 2
256 2 23 ASP H 2 23 ASP HA 2.279 . 2.820 2.879 2.860 2.904 0.084 5 0 "[ . 1]" 2
257 2 23 ASP H 2 23 ASP HB2 2.603 . 3.198 2.436 2.246 2.536 . 0 0 "[ . 1]" 2
258 2 20 SER HA 2 23 ASP H 3.076 . 4.259 4.455 4.406 4.527 0.268 4 0 "[ . 1]" 2
259 2 24 ILE H 2 25 LYS H 3.300 . 5.000 2.721 2.663 2.795 . 0 0 "[ . 1]" 2
260 2 23 ASP HA 2 24 ILE H 3.300 . 5.000 3.518 3.502 3.561 . 0 0 "[ . 1]" 2
261 2 22 LYS HA 2 24 ILE H 3.300 . 5.000 4.428 4.306 4.534 . 0 0 "[ . 1]" 2
262 2 24 ILE H 2 24 ILE HG13 3.300 . 5.000 3.511 3.454 3.567 . 0 0 "[ . 1]" 2
263 2 24 ILE H 2 24 ILE HB 3.300 . 5.000 2.709 2.661 2.772 . 0 0 "[ . 1]" 2
264 2 24 ILE H 2 24 ILE MD 3.300 . 5.000 2.813 2.743 2.892 . 0 0 "[ . 1]" 2
265 2 23 ASP HB2 2 24 ILE H 3.300 . 5.000 2.887 2.486 3.632 . 0 0 "[ . 1]" 2
266 2 25 LYS H 2 26 LYS HA 3.300 . 5.000 5.222 5.142 5.257 0.257 8 0 "[ . 1]" 2
267 2 25 LYS H 2 26 LYS H 2.493 . 3.270 2.683 2.576 2.731 . 0 0 "[ . 1]" 2
268 2 25 LYS H 2 25 LYS QD 3.300 . 5.000 3.611 3.433 4.129 . 0 0 "[ . 1]" 2
269 2 25 LYS H 2 25 LYS HA 2.429 . 3.167 2.794 2.790 2.802 . 0 0 "[ . 1]" 2
270 2 26 LYS H 2 26 LYS QE 3.427 . 4.895 4.465 3.882 4.731 . 0 0 "[ . 1]" 2
271 2 26 LYS H 2 26 LYS QB 2.037 . 2.401 2.224 1.961 2.443 0.042 3 0 "[ . 1]" 2
272 2 26 LYS H 2 27 ILE H 3.300 . 5.000 2.902 2.609 3.083 . 0 0 "[ . 1]" 2
273 2 23 ASP HA 2 26 LYS H 2.970 . 4.073 3.333 3.201 3.480 . 0 0 "[ . 1]" 2
274 2 26 LYS H 2 26 LYS HA 2.398 . 3.117 2.727 2.629 2.815 . 0 0 "[ . 1]" 2
275 2 26 LYS HA 2 27 ILE H 3.300 . 5.000 3.529 3.489 3.583 . 0 0 "[ . 1]" 2
276 2 27 ILE H 2 27 ILE HB 3.300 . 5.000 2.273 2.233 2.314 . 0 0 "[ . 1]" 2
277 2 25 LYS HA 2 27 ILE H 3.300 . 5.000 4.646 4.504 4.724 . 0 0 "[ . 1]" 2
278 2 27 ILE H 2 28 LEU H 3.300 . 5.000 2.832 2.744 2.889 . 0 0 "[ . 1]" 2
279 2 26 LYS QB 2 27 ILE H 3.300 . 5.000 2.243 1.987 2.856 . 0 0 "[ . 1]" 2
280 2 24 ILE HA 2 28 LEU H 3.300 . 5.000 4.105 4.039 4.163 . 0 0 "[ . 1]" 2
281 2 28 LEU H 2 29 ASP H 3.300 . 5.000 2.478 2.436 2.515 . 0 0 "[ . 1]" 2
282 2 27 ILE HB 2 28 LEU H 3.300 . 5.000 2.886 2.765 3.018 . 0 0 "[ . 1]" 2
283 2 28 LEU H 2 30 SER H 3.300 . 5.000 4.064 3.844 4.172 . 0 0 "[ . 1]" 2
284 2 28 LEU H 2 28 LEU HG 2.500 . 2.800 1.777 1.702 1.863 . 0 0 "[ . 1]" 2
285 2 26 LYS HA 2 29 ASP H 2.761 . 3.702 3.658 3.344 3.765 0.063 1 0 "[ . 1]" 2
286 2 29 ASP H 2 30 SER H 2.612 . 3.433 2.514 2.449 2.555 . 0 0 "[ . 1]" 2
287 2 29 ASP H 2 29 ASP HA 2.563 . 3.020 2.850 2.830 2.865 . 0 0 "[ . 1]" 2
288 2 27 ILE H 2 29 ASP H 3.300 . 5.000 4.084 4.010 4.208 . 0 0 "[ . 1]" 2
289 2 28 LEU HA 2 29 ASP H 3.300 . 5.000 3.486 3.437 3.557 . 0 0 "[ . 1]" 2
290 2 30 SER H 2 30 SER HA 2.313 . 2.982 2.780 2.757 2.801 . 0 0 "[ . 1]" 2
291 2 27 ILE HA 2 30 SER H 3.300 . 5.000 3.865 3.734 3.993 . 0 0 "[ . 1]" 2
292 2 29 ASP HA 2 30 SER H 2.907 . 3.963 3.486 3.436 3.510 . 0 0 "[ . 1]" 2
293 2 30 SER H 2 30 SER QB 2.323 . 2.998 2.357 2.197 2.439 . 0 0 "[ . 1]" 2
294 2 30 SER H 2 31 VAL H 3.300 . 5.000 2.824 2.714 2.904 . 0 0 "[ . 1]" 2
295 2 30 SER HA 2 31 VAL H 3.300 . 5.000 3.542 3.514 3.569 . 0 0 "[ . 1]" 2
296 2 31 VAL H 2 33 ILE HB 3.300 . 5.000 4.836 4.721 4.929 . 0 0 "[ . 1]" 2
297 2 29 ASP HA 2 31 VAL H 3.300 . 5.000 4.063 3.837 4.275 . 0 0 "[ . 1]" 2
298 2 31 VAL H 2 32 GLY H 3.300 . 5.000 2.226 2.057 2.319 . 0 0 "[ . 1]" 2
299 2 31 VAL H 2 31 VAL MG2 3.300 . 5.000 1.885 1.805 1.940 . 0 0 "[ . 1]" 2
300 2 29 ASP H 2 31 VAL H 3.300 . 5.000 4.306 4.145 4.432 . 0 0 "[ . 1]" 2
301 2 30 SER QB 2 31 VAL H 3.300 . 5.000 3.234 2.549 3.591 . 0 0 "[ . 1]" 2
302 2 31 VAL H 2 31 VAL HB 3.300 . 5.000 3.672 3.639 3.701 . 0 0 "[ . 1]" 2
303 2 29 ASP HA 2 32 GLY H 2.599 . 3.443 2.951 2.772 3.113 . 0 0 "[ . 1]" 2
304 2 31 VAL HA 2 32 GLY H 3.300 . 5.000 3.348 3.202 3.508 . 0 0 "[ . 1]" 2
305 2 31 VAL HB 2 32 GLY H 3.300 . 5.000 4.047 3.680 4.258 . 0 0 "[ . 1]" 2
306 2 31 VAL MG2 2 32 GLY H 3.300 . 5.000 2.792 2.218 3.189 . 0 0 "[ . 1]" 2
307 2 32 GLY H 2 33 ILE HB 3.300 . 5.000 4.455 3.966 4.804 . 0 0 "[ . 1]" 2
308 2 31 VAL H 2 33 ILE H 3.300 . 5.000 3.680 3.465 3.817 . 0 0 "[ . 1]" 2
309 2 29 ASP HA 2 33 ILE H 3.300 . 5.000 3.188 2.733 3.617 . 0 0 "[ . 1]" 2
310 2 33 ILE H 2 33 ILE HB 3.300 . 5.000 2.417 2.287 2.526 . 0 0 "[ . 1]" 2
311 2 33 ILE H 2 34 GLU H 3.300 . 5.000 4.505 4.433 4.578 . 0 0 "[ . 1]" 2
312 2 34 GLU H 2 34 GLU HB2 2.188 . 2.659 2.421 2.352 2.478 . 0 0 "[ . 1]" 2
313 2 34 GLU H 2 35 ALA H 3.300 . 5.000 4.539 4.493 4.584 . 0 0 "[ . 1]" 2
314 2 33 ILE HB 2 34 GLU H 3.300 . 5.000 4.260 4.155 4.403 . 0 0 "[ . 1]" 2
315 2 33 ILE HA 2 34 GLU H 3.300 . 5.000 2.204 2.142 2.266 . 0 0 "[ . 1]" 2
316 2 35 ALA H 2 35 ALA HA 2.975 . 4.081 2.927 2.905 2.939 . 0 0 "[ . 1]" 2
317 2 34 GLU HA 2 35 ALA H 2.100 . 2.374 2.166 2.088 2.286 . 0 0 "[ . 1]" 2
318 2 36 ASP H 2 36 ASP HA 2.784 . 3.753 2.916 2.883 2.937 . 0 0 "[ . 1]" 2
319 2 36 ASP H 2 37 ASP H 3.324 . 4.705 4.519 4.485 4.551 . 0 0 "[ . 1]" 2
320 2 35 ALA HA 2 36 ASP H 2.594 . 3.435 2.229 2.180 2.286 . 0 0 "[ . 1]" 2
321 2 37 ASP H 2 38 ASP HA 3.300 . 5.000 5.068 5.045 5.085 0.085 1 0 "[ . 1]" 2
322 2 37 ASP H 2 37 ASP HA 2.530 . 3.117 2.852 2.840 2.869 . 0 0 "[ . 1]" 2
323 2 37 ASP H 2 38 ASP H 2.427 . 3.141 2.538 2.476 2.603 . 0 0 "[ . 1]" 2
324 2 36 ASP HA 2 37 ASP H 2.800 2.226 3.374 2.186 2.155 2.209 0.071 9 0 "[ . 1]" 2
325 2 36 ASP HA 2 38 ASP H 2.917 . 3.981 3.832 3.603 3.936 . 0 0 "[ . 1]" 2
326 2 37 ASP HA 2 38 ASP H 2.665 . 3.553 3.306 3.229 3.370 . 0 0 "[ . 1]" 2
327 2 38 ASP H 2 39 ARG H 2.177 . 2.769 2.077 1.980 2.155 . 0 0 "[ . 1]" 2
328 2 38 ASP H 2 39 ARG HG2 2.618 . 3.475 3.489 3.169 3.568 0.093 4 0 "[ . 1]" 2
329 2 38 ASP H 2 38 ASP HA 2.279 . 2.725 2.888 2.882 2.901 0.176 10 0 "[ . 1]" 2
330 2 37 ASP H 2 39 ARG H 3.311 . 4.681 4.026 3.934 4.175 . 0 0 "[ . 1]" 2
331 2 38 ASP HA 2 39 ARG H 2.717 . 3.462 3.447 3.425 3.486 0.024 9 0 "[ . 1]" 2
332 2 39 ARG H 2 39 ARG HD3 3.300 . 5.000 3.914 3.694 4.054 . 0 0 "[ . 1]" 2
333 2 39 ARG H 2 39 ARG HA 2.506 . 3.234 2.825 2.816 2.844 . 0 0 "[ . 1]" 2
334 2 39 ARG HA 2 40 LEU H 2.834 . 3.384 3.507 3.499 3.513 0.129 7 0 "[ . 1]" 2
335 2 39 ARG H 2 40 LEU H 2.642 . 3.515 2.535 2.455 2.628 . 0 0 "[ . 1]" 2
336 2 37 ASP HA 2 40 LEU H 2.800 . 3.780 3.827 3.777 3.871 0.091 5 0 "[ . 1]" 2
337 2 38 ASP HA 2 40 LEU H 3.339 . 4.733 4.473 4.387 4.619 . 0 0 "[ . 1]" 2
338 2 40 LEU H 2 40 LEU HA 2.823 . 3.643 2.855 2.833 2.872 . 0 0 "[ . 1]" 2
339 2 41 ASN H 2 41 ASN HA 2.558 . 2.847 2.851 2.823 2.896 0.049 6 0 "[ . 1]" 2
340 2 40 LEU HA 2 41 ASN H 3.086 . 4.276 3.495 3.460 3.526 . 0 0 "[ . 1]" 2
341 2 37 ASP HA 2 41 ASN H 2.999 . 4.124 4.138 4.081 4.201 0.077 6 0 "[ . 1]" 2
342 2 41 ASN H 2 42 LYS H 3.300 . 5.000 2.418 2.308 2.497 . 0 0 "[ . 1]" 2
343 2 40 LEU HG 2 41 ASN H 2.812 . 3.800 3.568 3.476 3.652 . 0 0 "[ . 1]" 2
344 2 41 ASN H 2 43 VAL H 3.043 . 4.200 4.138 3.909 4.271 0.071 5 0 "[ . 1]" 2
345 2 42 LYS H 2 43 VAL H 2.252 . 2.886 2.516 2.346 2.659 . 0 0 "[ . 1]" 2
346 2 40 LEU HA 2 43 VAL H 3.039 . 4.193 3.107 2.903 3.308 . 0 0 "[ . 1]" 2
347 2 41 ASN HA 2 43 VAL H 3.300 . 5.000 4.585 4.385 4.764 . 0 0 "[ . 1]" 2
348 2 43 VAL H 2 43 VAL HB 2.448 . 3.197 2.473 2.376 2.528 . 0 0 "[ . 1]" 2
349 2 43 VAL H 2 43 VAL HA 2.798 . 3.224 2.821 2.796 2.861 . 0 0 "[ . 1]" 2
350 2 43 VAL H 2 44 ILE H 2.363 . 3.061 2.676 2.570 2.755 . 0 0 "[ . 1]" 2
351 2 44 ILE H 2 44 ILE HB 2.503 . 3.285 2.469 2.161 2.689 . 0 0 "[ . 1]" 2
352 2 8 TYR HE2 2 44 ILE H 3.373 . 4.795 4.895 4.858 4.949 0.154 6 0 "[ . 1]" 2
353 2 44 ILE H 2 44 ILE HA 2.795 . 3.429 2.744 2.707 2.776 . 0 0 "[ . 1]" 2
354 2 40 LEU HA 2 44 ILE H 3.385 . 4.817 3.791 3.684 3.874 . 0 0 "[ . 1]" 2
355 2 44 ILE H 2 47 LEU HG 3.300 . 5.000 4.681 4.417 5.022 0.022 3 0 "[ . 1]" 2
356 2 45 SER H 2 45 SER HA 2.417 . 2.876 2.750 2.729 2.776 . 0 0 "[ . 1]" 2
357 2 44 ILE HB 2 45 SER H 2.508 . 3.294 2.121 1.886 2.449 . 0 0 "[ . 1]" 2
358 2 44 ILE HA 2 45 SER H 3.083 . 3.397 3.510 3.500 3.522 0.125 5 0 "[ . 1]" 2
359 2 44 ILE H 2 45 SER H 2.480 . 3.249 2.925 2.769 3.075 . 0 0 "[ . 1]" 2
360 2 44 ILE HG13 2 45 SER H 2.981 . 4.092 4.365 4.241 4.469 0.377 8 0 "[ . 1]" 2
361 2 46 GLU H 2 46 GLU HA 2.367 . 3.067 2.871 2.845 2.911 . 0 0 "[ . 1]" 2
362 2 46 GLU H 2 46 GLU HB2 2.340 . 3.024 2.470 2.339 2.585 . 0 0 "[ . 1]" 2
363 2 46 GLU H 2 47 LEU H 2.811 . 3.799 2.494 2.344 2.639 . 0 0 "[ . 1]" 2
364 2 47 LEU H 2 47 LEU HA 2.870 . 3.578 2.867 2.785 2.927 . 0 0 "[ . 1]" 2
365 2 47 LEU H 2 47 LEU HG 2.852 . 3.674 3.122 2.338 3.832 0.158 3 0 "[ . 1]" 2
366 2 48 ASN H 2 48 ASN HA 2.746 . 3.688 2.747 2.683 2.780 . 0 0 "[ . 1]" 2
367 2 47 LEU HA 2 48 ASN H 2.737 . 3.673 3.453 3.388 3.520 . 0 0 "[ . 1]" 2
368 2 45 SER HA 2 48 ASN H 3.060 . 4.230 3.696 3.426 3.890 . 0 0 "[ . 1]" 2
369 2 48 ASN HA 2 49 GLY H 2.820 . 3.814 2.110 2.096 2.120 . 0 0 "[ . 1]" 2
370 2 49 GLY H 2 50 LYS H 2.950 . 3.397 2.248 2.056 2.578 . 0 0 "[ . 1]" 2
371 2 48 ASN H 2 49 GLY H 3.175 . 4.435 4.447 4.367 4.502 0.067 10 0 "[ . 1]" 2
372 2 50 LYS H 2 51 ASN H 3.300 . 5.000 4.444 4.381 4.514 . 0 0 "[ . 1]" 2
373 2 50 LYS H 2 50 LYS HA 2.513 . 3.284 2.937 2.921 2.947 . 0 0 "[ . 1]" 2
374 2 50 LYS HA 2 51 ASN H 2.554 . 3.015 2.422 2.348 2.536 . 0 0 "[ . 1]" 2
375 2 51 ASN H 2 51 ASN HA 2.921 . 3.988 2.935 2.925 2.941 . 0 0 "[ . 1]" 2
376 2 53 GLU H 2 53 GLU QG . . 2.702 2.452 1.986 2.767 0.065 1 0 "[ . 1]" 2
377 2 53 GLU H 2 54 ASP H 2.720 . 3.645 2.848 2.705 3.133 . 0 0 "[ . 1]" 2
378 2 54 ASP H 2 54 ASP HA 2.721 . 3.391 2.851 2.789 2.891 . 0 0 "[ . 1]" 2
379 2 53 GLU HA 2 54 ASP H 3.042 . 3.699 3.537 3.487 3.600 . 0 0 "[ . 1]" 2
380 2 55 VAL H 2 55 VAL HB 2.377 . 3.083 2.678 2.639 2.743 . 0 0 "[ . 1]" 2
381 2 55 VAL H 2 56 ILE H 2.590 . 3.428 2.728 2.661 2.782 . 0 0 "[ . 1]" 2
382 2 55 VAL H 2 55 VAL HA 2.571 . 3.249 2.804 2.782 2.827 . 0 0 "[ . 1]" 2
383 2 54 ASP HA 2 55 VAL H 2.773 . 3.734 3.519 3.499 3.538 . 0 0 "[ . 1]" 2
384 2 56 ILE H 2 56 ILE HB 2.587 . 3.247 2.689 2.474 2.759 . 0 0 "[ . 1]" 2
385 2 56 ILE H 2 58 GLN H 3.300 . 5.000 4.296 4.188 4.386 . 0 0 "[ . 1]" 2
386 2 55 VAL HB 2 56 ILE H 3.069 . 3.618 2.362 2.324 2.415 . 0 0 "[ . 1]" 2
387 2 58 GLN H 2 58 GLN HA 2.735 . 2.883 2.920 2.908 2.931 0.048 1 0 "[ . 1]" 2
388 2 58 GLN HA 2 59 GLY H 3.102 . 4.305 3.268 2.925 3.530 . 0 0 "[ . 1]" 2
389 2 59 GLY H 2 60 ILE HA 3.300 . 5.000 4.512 4.278 5.013 0.013 8 0 "[ . 1]" 2
390 2 59 GLY H 2 60 ILE H 2.909 . 3.967 2.812 2.433 3.362 . 0 0 "[ . 1]" 2
391 2 60 ILE H 2 60 ILE HA 2.647 . 3.523 2.823 2.807 2.847 . 0 0 "[ . 1]" 2
392 2 60 ILE HB 2 61 GLY H 3.260 . 4.589 3.279 3.077 3.457 . 0 0 "[ . 1]" 2
393 2 61 GLY H 2 63 LEU H 2.941 . 4.022 4.025 3.495 4.272 0.250 1 0 "[ . 1]" 2
394 2 65 SER H 2 65 SER HA 2.739 . 3.677 2.632 2.235 2.940 . 0 0 "[ . 1]" 2
395 2 64 ALA HA 2 65 SER H 2.573 . 3.400 3.072 2.576 3.543 0.143 2 0 "[ . 1]" 2
396 2 66 VAL H 2 66 VAL HB 2.285 . 2.899 2.726 2.569 3.167 0.268 9 0 "[ . 1]" 2
397 2 65 SER HA 2 66 VAL H 2.145 . 2.720 2.204 2.094 2.402 . 0 0 "[ . 1]" 2
398 2 67 PRO HA 2 68 ALA H 1.792 . 2.193 2.145 2.097 2.169 . 0 0 "[ . 1]" 2
399 2 68 ALA HA 2 69 GLY H 2.945 . 4.029 2.720 2.127 3.571 . 0 0 "[ . 1]" 2
400 2 69 GLY H 2 70 GLY H 2.970 . 4.073 3.138 1.922 4.211 0.138 7 0 "[ . 1]" 2
401 1 4 VAL HA 1 4 VAL HB 2.334 . 3.015 2.956 2.945 2.966 . 0 0 "[ . 1]" 2
402 1 3 SER HB3 1 4 VAL HB 3.300 . 5.000 4.959 4.548 5.810 0.810 5 2 "[ + -]" 2
403 1 6 GLU HA 1 43 TRP HD1 2.672 . 3.564 3.353 3.140 3.564 . 0 0 "[ . 1]" 2
404 1 8 ALA HA 1 11 TYR HD2 2.843 . 3.853 2.181 2.116 2.328 . 0 0 "[ . 1]" 2
405 1 7 LEU HA 1 10 ILE HB 2.388 . 3.101 2.396 2.343 2.447 . 0 0 "[ . 1]" 2
406 1 11 TYR HA 1 11 TYR HD1 2.473 . 3.076 1.964 1.892 2.001 . 0 0 "[ . 1]" 2
407 1 11 TYR HA 1 14 LEU HG 2.424 . 3.158 3.343 3.329 3.362 0.204 4 0 "[ . 1]" 2
408 1 14 LEU HA 1 14 LEU HG 2.468 . 3.229 3.474 3.466 3.484 0.255 10 0 "[ . 1]" 2
409 1 11 TYR HD1 1 14 LEU HG 2.576 . 3.316 3.122 3.031 3.209 . 0 0 "[ . 1]" 2
410 1 15 ILE HA 2 33 ILE HB 5.000 . 6.000 6.184 6.115 6.252 0.252 7 0 "[ . 1]" 2
411 1 17 HIS HA 1 20 GLU HA 2.681 . 3.579 2.300 2.161 2.465 . 0 0 "[ . 1]" 2
412 1 17 HIS HA 1 17 HIS HD2 3.300 . 5.000 4.742 4.524 4.894 . 0 0 "[ . 1]" 2
413 1 21 VAL HA 1 21 VAL HB 2.382 . 3.091 2.426 2.372 2.468 . 0 0 "[ . 1]" 2
414 1 20 GLU HA 1 21 VAL HB 3.300 . 5.000 5.039 4.992 5.088 0.088 5 0 "[ . 1]" 2
415 1 22 THR HA 1 23 VAL HA 3.300 . 5.000 4.310 4.292 4.346 . 0 0 "[ . 1]" 2
416 1 22 THR HA 1 22 THR HB . . 2.363 2.473 2.427 2.509 0.146 6 0 "[ . 1]" 2
417 1 23 VAL HA 1 23 VAL HB 2.737 . 3.427 3.014 3.011 3.020 . 0 0 "[ . 1]" 2
418 1 12 SER HA 1 28 ILE HA 5.000 . 5.500 4.600 4.398 4.809 . 0 0 "[ . 1]" 2
419 1 28 ILE HA 1 31 LEU HB3 5.000 . 5.500 4.510 4.389 4.801 . 0 0 "[ . 1]" 2
420 1 29 ASN HA 1 32 ILE HB 5.000 . 5.500 2.158 1.859 2.505 . 0 0 "[ . 1]" 2
421 1 30 ALA HA 1 33 LYS HB2 5.000 . 5.500 3.518 2.914 4.096 . 0 0 "[ . 1]" 2
422 1 37 VAL HA 1 37 VAL HB 2.621 . 3.386 2.376 2.364 2.401 . 0 0 "[ . 1]" 2
423 1 39 VAL HA 1 39 VAL HB 2.202 . 2.740 2.966 2.963 2.969 0.229 7 0 "[ . 1]" 2
424 1 43 TRP HA 1 43 TRP HD1 3.300 . 5.000 4.444 4.408 4.480 . 0 0 "[ . 1]" 2
425 1 46 LEU HA 1 46 LEU HB2 2.249 . 2.881 2.274 2.254 2.302 . 0 0 "[ . 1]" 2
426 1 49 LYS HA 1 49 LYS HG2 1.978 . 2.467 2.387 2.263 2.472 0.005 9 0 "[ . 1]" 2
427 1 54 VAL HA 1 54 VAL HB 2.265 . 2.906 2.376 2.361 2.403 . 0 0 "[ . 1]" 2
428 1 56 ILE HA 1 56 ILE HB 2.557 . 3.283 2.543 2.504 2.602 . 0 0 "[ . 1]" 2
429 1 56 ILE HA 1 56 ILE HG13 2.681 . 3.296 2.556 2.486 2.625 . 0 0 "[ . 1]" 2
430 1 59 LEU HA 1 59 LEU HG 2.800 . 3.322 3.323 3.304 3.331 0.009 1 0 "[ . 1]" 2
431 1 59 LEU HB2 1 60 ILE HB 3.300 . 5.000 4.312 4.214 4.414 . 0 0 "[ . 1]" 2
432 1 56 ILE HA 1 59 LEU HG 2.764 . 3.657 2.005 1.928 2.078 . 0 0 "[ . 1]" 2
433 1 60 ILE HA 1 60 ILE HB 2.378 . 3.042 2.890 2.876 2.919 . 0 0 "[ . 1]" 2
434 1 60 ILE HA 1 60 ILE HG13 2.416 . 3.128 2.112 2.080 2.171 . 0 0 "[ . 1]" 2
435 1 63 VAL HA 1 63 VAL HB 2.059 . 2.453 2.483 2.435 2.505 0.052 5 0 "[ . 1]" 2
436 1 11 TYR HE2 2 13 LEU HG 2.923 . 3.991 4.031 3.982 4.078 0.087 6 0 "[ . 1]" 2
437 1 43 TRP H 1 43 TRP HD1 2.915 . 3.679 3.565 3.471 3.671 . 0 0 "[ . 1]" 2
438 1 42 PHE HZ 1 43 TRP HH2 3.057 . 3.985 3.951 3.822 4.002 0.017 10 0 "[ . 1]" 2
439 2 5 VAL HA 2 5 VAL HB 2.724 . 3.485 2.976 2.533 3.032 . 0 0 "[ . 1]" 2
440 2 6 ALA HA 2 9 LEU HB2 2.616 . 3.066 2.430 2.330 2.535 . 0 0 "[ . 1]" 2
441 2 9 LEU HA 2 9 LEU HG 2.736 . 3.672 3.187 3.102 3.278 . 0 0 "[ . 1]" 2
442 2 9 LEU HA 2 9 LEU MD1 . . 2.334 1.864 1.803 1.919 0.021 3 0 "[ . 1]" 2
443 2 8 TYR HD1 2 9 LEU HA 2.706 . 3.621 3.052 2.926 3.182 . 0 0 "[ . 1]" 2
444 1 11 TYR HD2 2 10 LEU HA 2.464 . 3.223 2.574 2.401 2.698 . 0 0 "[ . 1]" 2
445 2 21 ALA HA 2 24 ILE HB 3.300 . 5.000 2.873 2.685 3.066 . 0 0 "[ . 1]" 2
446 2 23 ASP HA 2 26 LYS QB 2.374 . 3.078 2.582 2.176 3.074 . 0 0 "[ . 1]" 2
447 2 8 TYR HD2 2 24 ILE MD 2.800 . 3.100 2.467 2.288 2.574 . 0 0 "[ . 1]" 2
448 2 25 LYS HA 2 28 LEU HB2 3.300 . 5.000 4.821 4.625 4.991 . 0 0 "[ . 1]" 2
449 2 25 LYS HA 2 25 LYS QD 2.175 . 2.766 1.801 1.418 2.040 0.297 6 0 "[ . 1]" 2
450 2 26 LYS HA 2 26 LYS QB . . 2.265 2.340 2.175 2.410 0.145 4 0 "[ . 1]" 2
451 2 33 ILE HA 2 33 ILE QG 1.500 . 1.800 2.058 2.018 2.091 0.291 3 0 "[ . 1]" 2
452 2 28 LEU HB3 2 33 ILE HB 3.300 . 5.000 3.046 2.742 3.429 . 0 0 "[ . 1]" 2
453 2 37 ASP HA 2 40 LEU HG 2.500 . 3.281 3.157 3.007 3.305 0.024 3 0 "[ . 1]" 2
454 2 39 ARG HA 2 39 ARG HG2 . . 2.696 2.814 2.771 2.879 0.183 6 0 "[ . 1]" 2
455 2 4 TYR HE2 2 39 ARG HD2 3.300 . 5.000 3.721 3.423 4.223 . 0 0 "[ . 1]" 2
456 2 4 TYR HE2 2 39 ARG HG3 3.300 . 5.000 3.325 3.243 3.408 . 0 0 "[ . 1]" 2
457 2 40 LEU HA 2 43 VAL HB 2.583 . 3.417 3.376 3.218 3.469 0.052 8 0 "[ . 1]" 2
458 2 41 ASN HA 2 44 ILE HB 2.275 . 2.922 2.548 2.450 2.640 . 0 0 "[ . 1]" 2
459 2 43 VAL HA 2 43 VAL HB 2.364 . 3.062 2.502 2.470 2.535 . 0 0 "[ . 1]" 2
460 2 44 ILE HA 2 47 LEU HG 2.687 . 3.399 3.511 3.453 3.580 0.181 6 0 "[ . 1]" 2
461 2 44 ILE HA 2 44 ILE HB 2.554 . 3.369 3.009 2.967 3.040 . 0 0 "[ . 1]" 2
462 2 8 TYR HE2 2 44 ILE HA 2.459 . 3.215 2.322 2.168 2.527 . 0 0 "[ . 1]" 2
463 2 47 LEU HA 2 47 LEU HG 3.300 . 3.546 3.622 3.569 3.673 0.127 6 0 "[ . 1]" 2
464 2 52 ILE HA 2 52 ILE HG13 2.398 . 3.075 2.268 2.243 2.290 . 0 0 "[ . 1]" 2
465 2 52 ILE HA 2 52 ILE HB 2.424 . 2.888 2.946 2.941 2.949 0.061 10 0 "[ . 1]" 2
466 2 8 TYR HE1 2 52 ILE MD 2.155 . 2.736 1.607 1.520 1.805 0.107 7 0 "[ . 1]" 2
467 2 55 VAL HA 2 55 VAL HB 2.675 . 3.191 3.042 3.039 3.046 . 0 0 "[ . 1]" 2
468 2 52 ILE HA 2 55 VAL HB 3.300 . 5.000 2.890 2.795 2.987 . 0 0 "[ . 1]" 2
469 2 56 ILE HA 2 56 ILE HB 2.500 . 3.281 3.020 3.011 3.025 . 0 0 "[ . 1]" 2
470 2 56 ILE HA 2 56 ILE HG13 2.450 . 3.109 2.543 2.362 2.603 . 0 0 "[ . 1]" 2
471 2 53 GLU HA 2 56 ILE HB 2.540 . 3.347 3.508 3.434 3.577 0.230 3 0 "[ . 1]" 2
472 2 56 ILE HB 2 56 ILE MD 1.955 . 2.396 2.263 2.229 2.299 . 0 0 "[ . 1]" 2
473 2 60 ILE HA 2 60 ILE HB 2.306 . 2.949 2.995 2.985 3.001 0.052 2 0 "[ . 1]" 2
474 2 60 ILE HA 2 60 ILE HG13 2.505 . 3.096 2.350 2.311 2.381 . 0 0 "[ . 1]" 2
475 2 63 LEU HA 2 63 LEU HG 2.291 . 2.947 2.402 2.233 2.574 . 0 0 "[ . 1]" 2
476 2 66 VAL HA 2 66 VAL HB 2.347 . 2.719 2.916 2.450 2.987 0.268 2 0 "[ . 1]" 2
477 1 11 TYR HA 1 14 LEU HB2 2.568 . 3.392 1.722 1.679 1.787 0.065 3 0 "[ . 1]" 2
478 1 16 LEU HA 1 21 VAL HB 3.300 . 5.000 5.015 4.882 5.080 0.080 6 0 "[ . 1]" 2
479 1 25 GLU HA 1 28 ILE HB 5.000 . 5.500 2.935 2.740 3.211 . 0 0 "[ . 1]" 2
480 1 27 LYS HA 1 27 LYS HE2 2.645 . 3.520 3.287 2.852 4.288 0.768 2 1 "[ + . 1]" 2
481 1 27 LYS HA 1 27 LYS HD3 2.438 . 3.181 2.453 2.048 4.162 0.981 6 1 "[ .+ 1]" 2
482 1 5 SER HA 1 39 VAL HA 2.481 . 3.251 2.619 2.412 2.810 . 0 0 "[ . 1]" 2
483 1 5 SER HA 1 39 VAL HB 3.300 . 5.000 5.045 4.972 5.111 0.111 9 0 "[ . 1]" 2
484 1 28 ILE HG13 1 44 PRO HA 5.000 . 5.500 4.778 4.415 5.090 . 0 0 "[ . 1]" 2
485 1 46 LEU HA 1 46 LEU HG 2.586 . 3.422 3.443 3.424 3.463 0.041 8 0 "[ . 1]" 2
486 1 23 VAL HB 1 52 ALA HA 5.000 . 5.500 4.394 3.536 5.026 . 0 0 "[ . 1]" 2
487 1 43 TRP HA 1 46 LEU HB3 2.699 . 3.610 2.738 2.635 2.943 . 0 0 "[ . 1]" 2
488 2 6 ALA HA 2 9 LEU MD2 2.457 . 3.212 1.776 1.662 1.913 0.075 9 0 "[ . 1]" 2
489 2 12 ALA HA 2 17 SER HA 2.597 . 3.061 2.246 2.011 2.637 . 0 0 "[ . 1]" 2
490 2 17 SER HA 2 19 PRO HD3 2.594 . 3.435 3.332 3.248 3.408 . 0 0 "[ . 1]" 2
491 2 21 ALA HA 2 24 ILE HG13 2.800 . 3.100 2.828 2.571 3.092 . 0 0 "[ . 1]" 2
492 2 24 ILE HA 2 27 ILE HB 3.300 . 5.000 2.822 2.753 2.949 . 0 0 "[ . 1]" 2
493 2 28 LEU HA 2 28 LEU HG 3.300 . 5.000 3.619 3.579 3.649 . 0 0 "[ . 1]" 2
494 2 25 LYS QD 2 28 LEU HG 3.300 . 5.000 3.583 2.853 3.796 . 0 0 "[ . 1]" 2
495 2 33 ILE HA 2 33 ILE HG12 1.600 . 1.900 2.177 2.074 2.739 0.839 9 1 "[ . +1]" 2
496 2 50 LYS HA 2 50 LYS HD3 2.220 . 2.836 2.251 1.986 2.413 . 0 0 "[ . 1]" 2
497 1 2 ALA HA 1 3 SER H 2.172 . 2.762 2.335 2.176 2.683 . 0 0 "[ . 1]" 2
498 1 3 SER HA 1 4 VAL HB 2.959 . 4.054 4.202 4.163 4.242 0.188 4 0 "[ . 1]" 2
499 1 4 VAL HA 1 7 LEU H 2.922 . 3.989 3.444 3.344 3.604 . 0 0 "[ . 1]" 2
500 1 7 LEU HA 1 11 TYR H 3.340 . 4.734 4.175 4.095 4.225 . 0 0 "[ . 1]" 2
501 1 9 CYS H 1 10 ILE HA 3.300 . 5.000 5.069 5.045 5.085 0.085 4 0 "[ . 1]" 2
502 1 10 ILE HA 1 11 TYR H 3.008 . 4.139 3.554 3.543 3.562 . 0 0 "[ . 1]" 2
503 1 10 ILE H 1 10 ILE HA 2.680 . 3.578 2.729 2.718 2.746 . 0 0 "[ . 1]" 2
504 1 10 ILE H 1 10 ILE HB 2.604 . 3.452 2.501 2.453 2.528 . 0 0 "[ . 1]" 2
505 1 10 ILE HA 1 10 ILE HB 2.514 . 3.304 3.023 3.017 3.028 . 0 0 "[ . 1]" 2
506 1 13 ALA H 1 13 ALA HA 2.593 . 3.433 2.824 2.801 2.837 . 0 0 "[ . 1]" 2
507 1 13 ALA HA 1 16 LEU H 2.934 . 4.010 3.558 3.459 3.703 . 0 0 "[ . 1]" 2
508 1 14 LEU HA 1 15 ILE H 2.978 . 4.087 3.605 3.596 3.614 . 0 0 "[ . 1]" 2
509 1 14 LEU H 1 14 LEU HG 3.300 . 5.000 4.304 4.268 4.332 . 0 0 "[ . 1]" 2
510 1 15 ILE HA 2 4 TYR HA 3.300 . 5.000 5.103 4.994 5.201 0.201 3 0 "[ . 1]" 2
511 1 15 ILE HA 1 15 ILE HB 2.545 . 3.355 2.847 2.823 2.870 . 0 0 "[ . 1]" 2
512 1 15 ILE H 1 15 ILE HA 2.866 . 3.892 2.817 2.795 2.842 . 0 0 "[ . 1]" 2
513 1 15 ILE HA 1 18 ASP HB2 3.074 . 4.255 2.584 2.227 3.014 . 0 0 "[ . 1]" 2
514 1 14 LEU HA 1 15 ILE HA 3.300 . 5.000 4.831 4.783 4.854 . 0 0 "[ . 1]" 2
515 1 16 LEU HA 1 16 LEU HG 2.704 . 3.618 2.928 2.889 2.949 . 0 0 "[ . 1]" 2
516 1 18 ASP HB3 1 19 ASP H 3.328 . 4.713 2.589 2.335 2.947 . 0 0 "[ . 1]" 2
517 1 22 THR H 1 22 THR HA 2.533 . 3.335 2.734 2.662 2.770 . 0 0 "[ . 1]" 2
518 1 22 THR HA 1 23 VAL HB 3.300 . 4.282 4.432 4.406 4.458 0.176 5 0 "[ . 1]" 2
519 1 22 THR HA 1 23 VAL H 2.201 . 2.806 2.090 2.049 2.138 . 0 0 "[ . 1]" 2
520 1 23 VAL H 1 23 VAL HB 2.467 . 3.228 2.510 2.453 2.600 . 0 0 "[ . 1]" 2
521 1 25 GLU HA 1 28 ILE H 5.000 . 5.500 3.585 3.391 3.806 . 0 0 "[ . 1]" 2
522 1 26 ASP HA 1 29 ASN H 2.632 . 3.498 3.354 3.099 3.506 0.008 7 0 "[ . 1]" 2
523 1 26 ASP HA 1 30 ALA H 5.000 . 5.500 3.975 3.836 4.109 . 0 0 "[ . 1]" 2
524 1 26 ASP H 1 26 ASP HB2 2.361 . 3.032 2.973 2.481 3.576 0.544 1 4 "[+- *. * 1]" 2
525 1 28 ILE HA 1 29 ASN H 5.000 . 5.500 3.541 3.526 3.549 . 0 0 "[ . 1]" 2
526 1 29 ASN HA 1 30 ALA H 5.000 . 5.500 3.525 3.490 3.550 . 0 0 "[ . 1]" 2
527 1 29 ASN HA 1 31 LEU H 5.000 . 5.500 4.534 4.316 4.675 . 0 0 "[ . 1]" 2
528 1 30 ALA HA 1 31 LEU H 5.000 . 5.500 3.587 3.571 3.593 . 0 0 "[ . 1]" 2
529 1 30 ALA HA 1 33 LYS H 5.000 . 5.500 3.509 3.430 3.683 . 0 0 "[ . 1]" 2
530 1 31 LEU HA 1 34 ALA H 5.000 . 5.500 3.503 3.315 3.638 . 0 0 "[ . 1]" 2
531 1 31 LEU HA 2 27 ILE HA 3.300 . 5.000 4.098 3.923 4.269 . 0 0 "[ . 1]" 2
532 1 29 ASN HA 1 32 ILE HA 5.000 . 5.500 4.953 4.643 5.320 . 0 0 "[ . 1]" 2
533 1 12 SER H 1 32 ILE HG13 5.000 . 5.500 5.482 5.013 5.565 0.065 5 0 "[ . 1]" 2
534 1 33 LYS HA 1 36 GLY H 3.300 . 5.000 3.323 3.173 3.450 . 0 0 "[ . 1]" 2
535 1 33 LYS H 1 33 LYS HA 2.307 . 2.972 2.837 2.819 2.862 . 0 0 "[ . 1]" 2
536 1 33 LYS HA 1 37 VAL H 3.100 . 4.301 4.325 4.227 4.380 0.079 3 0 "[ . 1]" 2
537 1 37 VAL HA 1 38 ASN HA 3.222 . 4.520 4.287 4.267 4.302 . 0 0 "[ . 1]" 2
538 1 36 GLY H 1 37 VAL HB 3.300 . 5.000 5.003 4.903 5.039 0.039 4 0 "[ . 1]" 2
539 1 38 ASN HA 1 39 VAL HB 2.968 . 4.069 4.222 4.157 4.275 0.206 1 0 "[ . 1]" 2
540 1 41 PRO HA 1 43 TRP H 2.935 . 4.012 3.855 3.817 3.872 . 0 0 "[ . 1]" 2
541 1 39 VAL H 1 41 PRO HA 3.300 . 5.000 5.080 5.002 5.132 0.132 2 0 "[ . 1]" 2
542 1 40 GLU H 1 41 PRO HA 3.300 . 5.000 5.190 5.161 5.229 0.229 6 0 "[ . 1]" 2
543 1 43 TRP H 1 43 TRP HA 2.683 . 3.583 2.821 2.815 2.826 . 0 0 "[ . 1]" 2
544 1 43 TRP HA 1 46 LEU HG 2.898 . 3.947 4.073 4.044 4.094 0.147 1 0 "[ . 1]" 2
545 1 44 PRO HA 1 45 GLY H 2.816 . 3.808 3.583 3.578 3.592 . 0 0 "[ . 1]" 2
546 1 46 LEU HA 1 47 PHE H 2.974 . 4.080 3.469 3.449 3.500 . 0 0 "[ . 1]" 2
547 1 49 LYS HA 1 50 ALA H 5.000 . 5.500 3.554 3.512 3.570 . 0 0 "[ . 1]" 2
548 1 52 ALA HA 1 54 VAL H 5.000 . 5.500 5.086 4.782 5.216 . 0 0 "[ . 1]" 2
549 1 23 VAL MG1 1 52 ALA HA 5.000 . 5.500 4.708 4.211 5.342 . 0 0 "[ . 1]" 2
550 1 54 VAL HB 1 55 ASN H 2.751 . 3.697 2.086 1.965 2.424 . 0 0 "[ . 1]" 2
551 1 59 LEU H 1 59 LEU HB2 2.513 . 3.077 2.435 2.404 2.462 . 0 0 "[ . 1]" 2
552 1 60 ILE HA 1 61 CYS H 2.639 . 3.510 3.388 3.359 3.447 . 0 0 "[ . 1]" 2
553 1 61 CYS HA 1 62 ASN H 2.666 . 3.555 3.322 3.128 3.472 . 0 0 "[ . 1]" 2
554 1 61 CYS HA 1 62 ASN HA 3.300 . 5.000 4.873 4.686 5.270 0.270 3 0 "[ . 1]" 2
555 1 63 VAL HA 1 64 GLY H 2.182 . 2.777 2.820 2.438 2.977 0.200 5 0 "[ . 1]" 2
556 1 42 PHE HZ 1 43 TRP HZ2 3.144 . 4.379 3.260 3.221 3.283 . 0 0 "[ . 1]" 2
557 1 11 TYR HE1 2 60 ILE HA 3.195 . 4.471 4.049 3.950 4.137 . 0 0 "[ . 1]" 2
558 1 42 PHE HZ 1 43 TRP HD1 3.300 . 5.000 5.001 4.800 5.069 0.069 9 0 "[ . 1]" 2
559 2 5 VAL HA 2 9 LEU H 3.300 . 5.000 4.265 4.122 4.345 . 0 0 "[ . 1]" 2
560 2 5 VAL HB 2 6 ALA HA 2.962 . 4.059 3.925 3.837 4.012 . 0 0 "[ . 1]" 2
561 2 8 TYR H 2 9 LEU HA 3.300 . 5.000 5.189 5.158 5.206 0.206 1 0 "[ . 1]" 2
562 2 10 LEU H 2 10 LEU HA 2.731 . 3.664 2.764 2.753 2.773 . 0 0 "[ . 1]" 2
563 2 12 ALA HA 2 15 GLY H 2.748 . 3.692 3.590 3.355 3.766 0.074 1 0 "[ . 1]" 2
564 2 16 ASN HA 2 17 SER HA 3.300 . 5.000 4.387 4.344 4.428 . 0 0 "[ . 1]" 2
565 2 18 SER H 2 19 PRO HA 3.300 . 5.000 3.872 3.814 3.940 . 0 0 "[ . 1]" 2
566 2 16 ASN HD21 2 19 PRO HA 2.397 . 3.115 2.314 1.850 3.116 0.001 10 0 "[ . 1]" 2
567 2 19 PRO HA 2 20 SER H 2.159 . 2.742 2.308 2.239 2.399 . 0 0 "[ . 1]" 2
568 2 21 ALA HA 2 24 ILE H 3.300 . 5.000 3.306 3.147 3.521 . 0 0 "[ . 1]" 2
569 2 21 ALA HA 2 41 ASN HA 2.576 . 3.406 3.474 3.404 3.562 0.156 1 0 "[ . 1]" 2
570 2 22 LYS HA 2 25 LYS H 2.523 . 3.319 3.295 3.088 3.395 0.076 10 0 "[ . 1]" 2
571 2 25 LYS HA 2 28 LEU H 3.300 . 5.000 3.644 3.477 3.713 . 0 0 "[ . 1]" 2
572 2 27 ILE HA 2 27 ILE HG13 3.300 . 5.000 2.317 2.153 2.434 . 0 0 "[ . 1]" 2
573 2 7 SER HA 2 27 ILE HB 3.300 . 5.000 3.818 3.512 4.126 . 0 0 "[ . 1]" 2
574 2 28 LEU HA 2 30 SER H 3.300 . 5.000 4.015 3.928 4.072 . 0 0 "[ . 1]" 2
575 2 28 LEU HA 2 33 ILE HB 3.300 . 5.000 3.048 2.638 3.387 . 0 0 "[ . 1]" 2
576 2 36 ASP HA 2 37 ASP HA 3.300 . 5.000 4.218 4.177 4.287 . 0 0 "[ . 1]" 2
577 2 38 ASP HA 2 41 ASN HD21 2.743 . 3.684 3.571 3.117 3.780 0.096 10 0 "[ . 1]" 2
578 2 39 ARG H 2 39 ARG HG2 2.190 . 2.789 2.045 1.749 2.151 . 0 0 "[ . 1]" 2
579 2 40 LEU H 2 40 LEU HG 2.782 . 3.750 1.779 1.752 1.812 0.062 10 0 "[ . 1]" 2
580 2 41 ASN HA 2 42 LYS H 2.527 . 3.325 3.430 3.413 3.444 0.119 4 0 "[ . 1]" 2
581 2 42 LYS H 2 42 LYS HA 2.238 . 2.864 2.864 2.839 2.887 0.023 3 0 "[ . 1]" 2
582 2 43 VAL HA 2 46 GLU HB2 2.368 . 3.069 2.602 2.085 3.092 0.023 10 0 "[ . 1]" 2
583 2 43 VAL HB 2 44 ILE H 2.735 . 3.670 3.815 3.750 3.886 0.216 5 0 "[ . 1]" 2
584 2 44 ILE HB 2 45 SER HA 3.200 2.145 4.255 4.191 3.980 4.461 0.206 3 0 "[ . 1]" 2
585 2 46 GLU H 2 46 GLU HG3 2.523 . 2.977 2.869 2.366 3.812 0.835 9 1 "[ . +1]" 2
586 2 51 ASN H 2 52 ILE HA 3.300 . 5.000 4.620 4.466 4.778 . 0 0 "[ . 1]" 2
587 2 51 ASN HA 2 52 ILE HB 3.300 . 5.000 4.357 4.282 4.460 . 0 0 "[ . 1]" 2
588 2 51 ASN H 2 52 ILE HB 5.000 . 6.000 6.166 6.124 6.235 0.235 7 0 "[ . 1]" 2
589 2 51 ASN H 2 52 ILE MD 3.300 . 5.000 4.155 3.980 4.295 . 0 0 "[ . 1]" 2
590 2 52 ILE MG 2 53 GLU H 1.977 . 2.466 2.406 2.232 2.478 0.012 8 0 "[ . 1]" 2
591 2 53 GLU H 2 53 GLU HA 2.539 . 3.345 2.774 2.696 2.807 . 0 0 "[ . 1]" 2
592 2 53 GLU H 2 53 GLU HB2 2.208 . 2.817 2.586 2.212 2.748 . 0 0 "[ . 1]" 2
593 2 56 ILE HA 2 57 ALA HA 3.300 . 5.000 4.446 4.313 4.841 . 0 0 "[ . 1]" 2
594 2 56 ILE HB 2 60 ILE HA 3.300 . 5.000 4.621 4.521 4.848 . 0 0 "[ . 1]" 2
595 2 56 ILE HB 2 58 GLN H 3.300 . 5.000 5.014 4.792 5.086 0.086 10 0 "[ . 1]" 2
596 2 56 ILE H 2 57 ALA HA 3.300 . 5.000 4.894 4.853 4.950 . 0 0 "[ . 1]" 2
597 2 57 ALA HA 2 58 GLN H 2.800 . 5.000 3.203 3.086 3.418 . 0 0 "[ . 1]" 2
598 2 60 ILE H 2 60 ILE HB 2.000 . 2.700 2.334 2.280 2.372 . 0 0 "[ . 1]" 2
599 2 62 LYS H 2 62 LYS HA 2.047 . 2.571 2.624 2.230 2.813 0.242 10 0 "[ . 1]" 2
600 2 62 LYS H 2 62 LYS QD 2.446 . 3.194 2.368 1.885 3.272 0.078 6 0 "[ . 1]" 2
601 2 63 LEU HA 2 64 ALA H 2.900 . 3.200 2.339 2.069 3.055 . 0 0 "[ . 1]" 2
602 2 63 LEU H 2 63 LEU HA 2.307 . 2.972 2.530 2.224 2.710 . 0 0 "[ . 1]" 2
603 2 63 LEU H 2 63 LEU HG 3.200 . 3.500 3.673 3.561 3.762 0.262 3 0 "[ . 1]" 2
604 2 64 ALA H 2 64 ALA HA 2.000 . 2.300 2.301 2.232 2.767 0.467 9 0 "[ . 1]" 2
605 2 66 VAL H 2 66 VAL HA 2.363 . 3.061 2.835 2.217 2.942 . 0 0 "[ . 1]" 2
606 1 10 ILE HB 2 60 ILE HA 5.000 2.500 5.500 5.554 5.519 5.605 0.105 3 0 "[ . 1]" 2
607 1 14 LEU HG 2 60 ILE HA 3.300 . 5.000 5.149 5.092 5.224 0.224 5 0 "[ . 1]" 2
608 1 35 ALA MB 2 11 ALA HA 5.000 . 5.500 2.315 2.190 2.500 . 0 0 "[ . 1]" 2
609 1 11 TYR HE2 2 9 LEU HA 3.303 . 4.667 4.713 4.682 4.755 0.088 7 0 "[ . 1]" 2
610 1 35 ALA HA 2 11 ALA HA 5.000 . 5.500 3.182 2.980 3.412 . 0 0 "[ . 1]" 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 110
_Distance_constraint_stats_list.Viol_count 665
_Distance_constraint_stats_list.Viol_total 457.225
_Distance_constraint_stats_list.Viol_max 0.297
_Distance_constraint_stats_list.Viol_rms 0.0547
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0416
_Distance_constraint_stats_list.Viol_average_violations_only 0.0688
_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 3 SER 0.261 0.077 9 0 "[ . 1]"
1 4 VAL 0.063 0.028 3 0 "[ . 1]"
1 5 SER 1.570 0.116 6 0 "[ . 1]"
1 6 GLU 0.114 0.049 2 0 "[ . 1]"
1 7 LEU 0.479 0.077 9 0 "[ . 1]"
1 8 ALA 0.096 0.028 3 0 "[ . 1]"
1 9 CYS 3.186 0.163 6 0 "[ . 1]"
1 10 ILE 0.635 0.072 2 0 "[ . 1]"
1 11 TYR 0.231 0.049 1 0 "[ . 1]"
1 12 SER 1.890 0.156 1 0 "[ . 1]"
1 13 ALA 1.981 0.163 6 0 "[ . 1]"
1 14 LEU 0.521 0.072 2 0 "[ . 1]"
1 15 ILE 0.013 0.013 4 0 "[ . 1]"
1 16 LEU 1.856 0.156 1 0 "[ . 1]"
1 17 HIS 0.364 0.092 8 0 "[ . 1]"
1 24 THR 2.462 0.165 5 0 "[ . 1]"
1 25 GLU 0.027 0.017 2 0 "[ . 1]"
1 26 ASP 0.384 0.048 6 0 "[ . 1]"
1 27 LYS 3.851 0.183 4 0 "[ . 1]"
1 28 ILE 0.998 0.152 2 0 "[ . 1]"
1 29 ASN 0.166 0.034 7 0 "[ . 1]"
1 30 ALA 0.534 0.048 6 0 "[ . 1]"
1 31 LEU 2.871 0.183 4 0 "[ . 1]"
1 32 ILE 2.201 0.188 7 0 "[ . 1]"
1 33 LYS 2.283 0.188 7 0 "[ . 1]"
1 34 ALA 0.151 0.036 3 0 "[ . 1]"
1 35 ALA 0.540 0.070 7 0 "[ . 1]"
1 36 GLY 0.331 0.052 3 0 "[ . 1]"
1 37 VAL 1.813 0.188 7 0 "[ . 1]"
1 41 PRO 3.536 0.239 7 0 "[ . 1]"
1 42 PHE 0.186 0.043 4 0 "[ . 1]"
1 43 TRP 2.574 0.160 1 0 "[ . 1]"
1 44 PRO 1.197 0.112 9 0 "[ . 1]"
1 45 GLY 4.503 0.239 7 0 "[ . 1]"
1 46 LEU 0.403 0.043 4 0 "[ . 1]"
1 47 PHE 2.746 0.160 1 0 "[ . 1]"
1 48 ALA 1.197 0.112 9 0 "[ . 1]"
1 49 LYS 0.966 0.098 9 0 "[ . 1]"
1 50 ALA 0.218 0.042 10 0 "[ . 1]"
1 51 LEU 0.172 0.074 6 0 "[ . 1]"
1 55 ASN 1.293 0.151 5 0 "[ . 1]"
1 56 ILE 1.293 0.151 5 0 "[ . 1]"
1 57 GLY 0.247 0.068 3 0 "[ . 1]"
1 58 SER 0.493 0.088 2 0 "[ . 1]"
1 59 LEU 1.538 0.151 5 0 "[ . 1]"
1 61 CYS 0.247 0.068 3 0 "[ . 1]"
1 62 ASN 0.246 0.088 2 0 "[ . 1]"
2 4 TYR 1.841 0.135 8 0 "[ . 1]"
2 5 VAL 0.081 0.025 7 0 "[ . 1]"
2 6 ALA 0.030 0.015 10 0 "[ . 1]"
2 7 SER 0.927 0.117 1 0 "[ . 1]"
2 8 TYR 2.427 0.135 8 0 "[ . 1]"
2 9 LEU 0.520 0.082 10 0 "[ . 1]"
2 10 LEU 0.988 0.153 3 0 "[ . 1]"
2 11 ALA 0.927 0.117 1 0 "[ . 1]"
2 12 ALA 0.586 0.065 8 0 "[ . 1]"
2 13 LEU 0.439 0.082 10 0 "[ . 1]"
2 14 GLY 0.958 0.153 3 0 "[ . 1]"
2 20 SER 0.023 0.023 1 0 "[ . 1]"
2 21 ALA 0.050 0.036 4 0 "[ . 1]"
2 22 LYS 1.255 0.121 3 0 "[ . 1]"
2 23 ASP 1.243 0.173 4 0 "[ . 1]"
2 24 ILE 0.445 0.085 7 0 "[ . 1]"
2 25 LYS 0.214 0.056 1 0 "[ . 1]"
2 26 LYS 3.513 0.179 10 0 "[ . 1]"
2 27 ILE 1.243 0.173 4 0 "[ . 1]"
2 28 LEU 0.421 0.085 7 0 "[ . 1]"
2 29 ASP 0.164 0.056 1 0 "[ . 1]"
2 30 SER 2.258 0.179 10 0 "[ . 1]"
2 36 ASP 4.284 0.297 9 0 "[ . 1]"
2 38 ASP 0.617 0.096 9 0 "[ . 1]"
2 39 ARG 1.652 0.144 9 0 "[ . 1]"
2 40 LEU 4.382 0.297 9 0 "[ . 1]"
2 41 ASN 0.840 0.144 2 0 "[ . 1]"
2 42 LYS 1.389 0.115 10 0 "[ . 1]"
2 43 VAL 2.047 0.144 9 0 "[ . 1]"
2 44 ILE 0.098 0.027 9 0 "[ . 1]"
2 45 SER 0.840 0.144 2 0 "[ . 1]"
2 46 GLU 0.773 0.115 10 0 "[ . 1]"
2 47 LEU 0.394 0.083 3 0 "[ . 1]"
2 51 ASN 0.203 0.075 8 0 "[ . 1]"
2 52 ILE 1.088 0.124 1 0 "[ . 1]"
2 55 VAL 0.203 0.075 8 0 "[ . 1]"
2 56 ILE 1.088 0.124 1 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 SER O 1 7 LEU N 2.800 2.700 2.900 2.770 2.691 2.871 0.009 9 0 "[ . 1]" 3
2 1 3 SER O 1 7 LEU H 1.900 . 2.000 1.798 1.723 1.904 0.077 9 0 "[ . 1]" 3
3 1 4 VAL O 1 8 ALA N 2.800 2.700 2.900 2.745 2.672 2.823 0.028 3 0 "[ . 1]" 3
4 1 4 VAL O 1 8 ALA H 1.900 . 2.000 1.931 1.845 2.021 0.021 10 0 "[ . 1]" 3
5 1 5 SER O 1 9 CYS N 2.800 2.700 2.900 2.967 2.943 2.995 0.095 6 0 "[ . 1]" 3
6 1 5 SER O 1 9 CYS H 1.900 . 2.000 2.090 2.044 2.116 0.116 6 0 "[ . 1]" 3
7 1 6 GLU O 1 10 ILE N 2.800 2.700 2.900 2.899 2.816 2.949 0.049 2 0 "[ . 1]" 3
8 1 6 GLU O 1 10 ILE H 1.900 . 2.000 1.936 1.855 1.986 . 0 0 "[ . 1]" 3
9 1 7 LEU O 1 11 TYR N 2.800 2.700 2.900 2.898 2.861 2.949 0.049 1 0 "[ . 1]" 3
10 1 7 LEU O 1 11 TYR H 1.900 . 2.000 1.992 1.928 2.041 0.041 1 0 "[ . 1]" 3
11 1 8 ALA O 1 12 SER N 2.800 2.700 2.900 2.860 2.782 2.920 0.020 4 0 "[ . 1]" 3
12 1 8 ALA O 1 12 SER H 1.900 . 2.000 1.909 1.826 2.004 0.004 4 0 "[ . 1]" 3
13 1 9 CYS O 1 13 ALA N 2.800 2.700 2.900 3.007 2.976 3.063 0.163 6 0 "[ . 1]" 3
14 1 9 CYS O 1 13 ALA H 1.900 . 2.000 2.054 2.035 2.082 0.082 6 0 "[ . 1]" 3
15 1 10 ILE O 1 14 LEU N 2.800 2.700 2.900 2.813 2.778 2.862 . 0 0 "[ . 1]" 3
16 1 10 ILE O 1 14 LEU H 1.900 . 2.000 2.052 2.013 2.072 0.072 2 0 "[ . 1]" 3
17 1 11 TYR O 1 15 ILE N 2.800 2.700 2.900 2.782 2.740 2.821 . 0 0 "[ . 1]" 3
18 1 11 TYR O 1 15 ILE H 1.900 . 2.000 1.830 1.787 1.871 0.013 4 0 "[ . 1]" 3
19 1 12 SER O 1 16 LEU N 2.800 2.700 2.900 3.019 2.981 3.056 0.156 1 0 "[ . 1]" 3
20 1 12 SER O 1 16 LEU H 1.900 . 2.000 2.067 2.029 2.098 0.098 1 0 "[ . 1]" 3
21 1 13 ALA O 1 17 HIS N 2.800 2.700 2.900 2.823 2.720 2.919 0.019 6 0 "[ . 1]" 3
22 1 13 ALA O 1 17 HIS H 1.900 . 2.000 1.993 1.852 2.092 0.092 8 0 "[ . 1]" 3
23 1 24 THR O 1 27 LYS N 2.800 2.700 2.900 2.831 2.794 2.877 . 0 0 "[ . 1]" 3
24 1 24 THR O 1 27 LYS H 1.900 . 2.000 2.152 2.135 2.165 0.165 5 0 "[ . 1]" 3
25 1 24 THR O 1 28 ILE N 2.800 2.700 2.900 2.978 2.946 3.052 0.152 2 0 "[ . 1]" 3
26 1 24 THR O 1 28 ILE H 1.900 . 2.000 2.009 1.979 2.083 0.083 2 0 "[ . 1]" 3
27 1 25 GLU O 1 29 ASN N 2.800 2.700 2.900 2.811 2.729 2.917 0.017 2 0 "[ . 1]" 3
28 1 25 GLU O 1 29 ASN H 1.900 . 2.000 1.880 1.791 1.995 0.009 10 0 "[ . 1]" 3
29 1 26 ASP O 1 30 ALA N 2.800 2.700 2.900 2.872 2.778 2.948 0.048 6 0 "[ . 1]" 3
30 1 26 ASP O 1 30 ALA H 1.900 . 2.000 2.025 1.964 2.046 0.046 10 0 "[ . 1]" 3
31 1 27 LYS O 1 31 LEU N 2.800 2.700 2.900 3.039 2.989 3.083 0.183 4 0 "[ . 1]" 3
32 1 27 LYS O 1 31 LEU H 1.900 . 2.000 2.094 2.030 2.139 0.139 4 0 "[ . 1]" 3
33 1 28 ILE O 1 32 ILE N 2.800 2.700 2.900 2.851 2.761 2.930 0.030 6 0 "[ . 1]" 3
34 1 28 ILE O 1 32 ILE H 1.900 . 2.000 1.876 1.789 1.955 0.011 10 0 "[ . 1]" 3
35 1 29 ASN O 1 33 LYS N 2.800 2.700 2.900 2.861 2.774 2.934 0.034 7 0 "[ . 1]" 3
36 1 29 ASN O 1 33 LYS H 1.900 . 2.000 1.943 1.857 2.031 0.031 7 0 "[ . 1]" 3
37 1 30 ALA O 1 34 ALA N 2.800 2.700 2.900 2.880 2.790 2.936 0.036 3 0 "[ . 1]" 3
38 1 30 ALA O 1 34 ALA H 1.900 . 2.000 1.965 1.848 2.032 0.032 8 0 "[ . 1]" 3
39 1 31 LEU O 1 35 ALA N 2.800 2.700 2.900 2.952 2.921 2.970 0.070 7 0 "[ . 1]" 3
40 1 31 LEU O 1 35 ALA H 1.900 . 2.000 1.993 1.972 2.009 0.009 7 0 "[ . 1]" 3
41 1 32 ILE O 1 36 GLY N 2.800 2.700 2.900 2.668 2.648 2.708 0.052 3 0 "[ . 1]" 3
42 1 32 ILE O 1 36 GLY H 1.900 . 2.000 1.941 1.866 2.003 0.003 6 0 "[ . 1]" 3
43 1 32 ILE O 1 37 VAL N 2.800 2.700 2.900 2.928 2.899 2.946 0.046 7 0 "[ . 1]" 3
44 1 32 ILE O 1 37 VAL H 1.900 . 2.000 2.154 2.113 2.188 0.188 7 0 "[ . 1]" 3
45 1 41 PRO O 1 45 GLY N 2.800 2.700 2.900 3.117 3.095 3.139 0.239 7 0 "[ . 1]" 3
46 1 41 PRO O 1 45 GLY H 1.900 . 2.000 2.136 2.113 2.154 0.154 6 0 "[ . 1]" 3
47 1 42 PHE O 1 46 LEU N 2.800 2.700 2.900 2.757 2.727 2.796 . 0 0 "[ . 1]" 3
48 1 42 PHE O 1 46 LEU H 1.900 . 2.000 1.786 1.757 1.839 0.043 4 0 "[ . 1]" 3
49 1 43 TRP O 1 47 PHE N 2.800 2.700 2.900 2.571 2.552 2.587 0.148 3 0 "[ . 1]" 3
50 1 43 TRP O 1 47 PHE H 1.900 . 2.000 1.671 1.640 1.700 0.160 1 0 "[ . 1]" 3
51 1 44 PRO O 1 48 ALA N 2.800 2.700 2.900 2.977 2.937 3.012 0.112 9 0 "[ . 1]" 3
52 1 44 PRO O 1 48 ALA H 1.900 . 2.000 2.042 2.008 2.074 0.074 9 0 "[ . 1]" 3
53 1 45 GLY O 1 49 LYS N 2.800 2.700 2.900 2.952 2.921 2.998 0.098 9 0 "[ . 1]" 3
54 1 45 GLY O 1 49 LYS H 1.900 . 2.000 2.045 2.014 2.083 0.083 9 0 "[ . 1]" 3
55 1 46 LEU O 1 50 ALA N 2.800 2.700 2.900 2.726 2.664 2.893 0.036 9 0 "[ . 1]" 3
56 1 46 LEU O 1 50 ALA H 1.900 . 2.000 1.864 1.758 2.033 0.042 10 0 "[ . 1]" 3
57 1 47 PHE O 1 51 LEU N 2.800 2.700 2.900 2.751 2.693 2.772 0.007 6 0 "[ . 1]" 3
58 1 47 PHE O 1 51 LEU H 1.900 . 2.000 1.784 1.726 1.807 0.074 6 0 "[ . 1]" 3
59 1 55 ASN O 1 59 LEU N 2.800 2.700 2.900 2.914 2.895 2.933 0.033 1 0 "[ . 1]" 3
60 1 55 ASN O 1 59 LEU H 1.900 . 2.000 2.115 2.097 2.151 0.151 5 0 "[ . 1]" 3
61 1 57 GLY O 1 61 CYS N 2.800 2.700 2.900 2.874 2.799 2.917 0.017 8 0 "[ . 1]" 3
62 1 57 GLY O 1 61 CYS H 1.900 . 2.000 2.022 1.997 2.068 0.068 3 0 "[ . 1]" 3
63 1 58 SER O 1 62 ASN N 2.800 2.700 2.900 2.818 2.696 2.905 0.005 8 0 "[ . 1]" 3
64 1 58 SER O 1 62 ASN H 1.900 . 2.000 1.999 1.859 2.088 0.088 2 0 "[ . 1]" 3
65 2 4 TYR O 2 8 TYR N 2.800 2.700 2.900 2.998 2.945 3.035 0.135 8 0 "[ . 1]" 3
66 2 4 TYR O 2 8 TYR H 1.900 . 2.000 2.086 2.064 2.112 0.112 1 0 "[ . 1]" 3
67 2 5 VAL O 2 9 LEU N 2.800 2.700 2.900 2.878 2.791 2.925 0.025 7 0 "[ . 1]" 3
68 2 5 VAL O 2 9 LEU H 1.900 . 2.000 1.927 1.826 1.977 . 0 0 "[ . 1]" 3
69 2 6 ALA O 2 10 LEU N 2.800 2.700 2.900 2.814 2.743 2.908 0.008 1 0 "[ . 1]" 3
70 2 6 ALA O 2 10 LEU H 1.900 . 2.000 1.861 1.785 1.987 0.015 10 0 "[ . 1]" 3
71 2 7 SER O 2 11 ALA N 2.800 2.700 2.900 2.969 2.938 3.017 0.117 1 0 "[ . 1]" 3
72 2 7 SER O 2 11 ALA H 1.900 . 2.000 2.024 2.015 2.039 0.039 4 0 "[ . 1]" 3
73 2 8 TYR O 2 12 ALA N 2.800 2.700 2.900 2.946 2.900 2.965 0.065 8 0 "[ . 1]" 3
74 2 8 TYR O 2 12 ALA H 1.900 . 2.000 2.012 1.998 2.026 0.026 8 0 "[ . 1]" 3
75 2 9 LEU O 2 13 LEU N 2.800 2.700 2.900 2.832 2.706 2.900 . 0 0 "[ . 1]" 3
76 2 9 LEU O 2 13 LEU H 1.900 . 2.000 2.044 2.003 2.082 0.082 10 0 "[ . 1]" 3
77 2 10 LEU O 2 14 GLY N 2.800 2.700 2.900 2.738 2.623 3.053 0.153 3 0 "[ . 1]" 3
78 2 10 LEU O 2 14 GLY H 1.900 . 2.000 1.868 1.788 2.149 0.149 1 0 "[ . 1]" 3
79 2 20 SER O 2 24 ILE N 2.800 2.700 2.900 2.844 2.755 2.923 0.023 1 0 "[ . 1]" 3
80 2 20 SER O 2 24 ILE H 1.900 . 2.000 1.902 1.812 1.994 . 0 0 "[ . 1]" 3
81 2 21 ALA O 2 25 LYS N 2.800 2.700 2.900 2.820 2.736 2.893 . 0 0 "[ . 1]" 3
82 2 21 ALA O 2 25 LYS H 1.900 . 2.000 1.916 1.798 2.036 0.036 4 0 "[ . 1]" 3
83 2 22 LYS O 2 26 LYS N 2.800 2.700 2.900 2.969 2.861 3.021 0.121 3 0 "[ . 1]" 3
84 2 22 LYS O 2 26 LYS H 1.900 . 2.000 2.052 2.004 2.101 0.101 3 0 "[ . 1]" 3
85 2 23 ASP O 2 27 ILE N 2.800 2.700 2.900 2.971 2.771 3.073 0.173 4 0 "[ . 1]" 3
86 2 23 ASP O 2 27 ILE H 1.900 . 2.000 1.999 1.795 2.099 0.099 4 0 "[ . 1]" 3
87 2 24 ILE O 2 28 LEU N 2.800 2.700 2.900 2.940 2.902 2.985 0.085 7 0 "[ . 1]" 3
88 2 24 ILE O 2 28 LEU H 1.900 . 2.000 1.971 1.945 2.014 0.014 7 0 "[ . 1]" 3
89 2 25 LYS O 2 29 ASP N 2.800 2.700 2.900 2.734 2.644 2.823 0.056 1 0 "[ . 1]" 3
90 2 25 LYS O 2 29 ASP H 1.900 . 2.000 1.906 1.785 2.019 0.019 10 0 "[ . 1]" 3
91 2 26 LYS O 2 30 SER N 2.800 2.700 2.900 2.980 2.641 3.065 0.165 1 0 "[ . 1]" 3
92 2 26 LYS O 2 30 SER H 1.900 . 2.000 2.090 1.779 2.179 0.179 10 0 "[ . 1]" 3
93 2 36 ASP O 2 40 LEU N 2.800 2.700 2.900 3.155 3.133 3.197 0.297 9 0 "[ . 1]" 3
94 2 36 ASP O 2 40 LEU H 1.900 . 2.000 2.174 2.155 2.211 0.211 9 0 "[ . 1]" 3
95 2 38 ASP O 2 42 LYS N 2.800 2.700 2.900 2.825 2.781 2.847 . 0 0 "[ . 1]" 3
96 2 38 ASP O 2 42 LYS H 1.900 . 2.000 2.062 2.025 2.096 0.096 9 0 "[ . 1]" 3
97 2 39 ARG O 2 43 VAL N 2.800 2.700 2.900 3.006 2.953 3.044 0.144 9 0 "[ . 1]" 3
98 2 39 ARG O 2 43 VAL H 1.900 . 2.000 2.059 2.023 2.094 0.094 9 0 "[ . 1]" 3
99 2 40 LEU O 2 44 ILE N 2.800 2.700 2.900 2.833 2.722 2.925 0.025 3 0 "[ . 1]" 3
100 2 40 LEU O 2 44 ILE H 1.900 . 2.000 1.877 1.773 1.961 0.027 9 0 "[ . 1]" 3
101 2 41 ASN O 2 45 SER N 2.800 2.700 2.900 2.953 2.870 3.044 0.144 2 0 "[ . 1]" 3
102 2 41 ASN O 2 45 SER H 1.900 . 2.000 2.024 2.001 2.063 0.063 2 0 "[ . 1]" 3
103 2 42 LYS O 2 46 GLU N 2.800 2.700 2.900 2.914 2.843 3.003 0.103 10 0 "[ . 1]" 3
104 2 42 LYS O 2 46 GLU H 1.900 . 2.000 2.051 2.000 2.115 0.115 10 0 "[ . 1]" 3
105 2 43 VAL O 2 47 LEU N 2.800 2.700 2.900 2.712 2.627 2.799 0.073 10 0 "[ . 1]" 3
106 2 43 VAL O 2 47 LEU H 1.900 . 2.000 1.830 1.717 1.966 0.083 3 0 "[ . 1]" 3
107 2 51 ASN O 2 55 VAL N 2.800 2.700 2.900 2.867 2.770 2.975 0.075 8 0 "[ . 1]" 3
108 2 51 ASN O 2 55 VAL H 1.900 . 2.000 1.940 1.845 2.017 0.017 8 0 "[ . 1]" 3
109 2 52 ILE O 2 56 ILE N 2.800 2.700 2.900 2.976 2.898 3.024 0.124 1 0 "[ . 1]" 3
110 2 52 ILE O 2 56 ILE H 1.900 . 2.000 2.026 1.940 2.075 0.075 9 0 "[ . 1]" 3
stop_
save_
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