NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
549894 |
2lx7   |
18662 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lx7
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 422
_Distance_constraint_stats_list.Viol_count 226
_Distance_constraint_stats_list.Viol_total 304.566
_Distance_constraint_stats_list.Viol_max 0.250
_Distance_constraint_stats_list.Viol_rms 0.0138
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0674
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.507 0.163 16 0 "[ . 1 . 2]"
1 5 ARG 1.648 0.208 16 0 "[ . 1 . 2]"
1 6 CYS 1.038 0.189 18 0 "[ . 1 . 2]"
1 7 ARG 0.878 0.180 3 0 "[ . 1 . 2]"
1 8 THR 0.445 0.116 19 0 "[ . 1 . 2]"
1 9 LEU 0.477 0.123 1 0 "[ . 1 . 2]"
1 10 TYR 0.025 0.025 19 0 "[ . 1 . 2]"
1 11 PRO 0.464 0.142 1 0 "[ . 1 . 2]"
1 12 PHE 0.034 0.034 9 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 0.462 0.139 1 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 1.307 0.164 2 0 "[ . 1 . 2]"
1 22 ARG 0.744 0.182 1 0 "[ . 1 . 2]"
1 23 PHE 0.667 0.182 1 0 "[ . 1 . 2]"
1 24 ALA 0.264 0.210 14 0 "[ . 1 . 2]"
1 25 ALA 0.822 0.250 14 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 0.680 0.250 14 0 "[ . 1 . 2]"
1 28 LEU 0.734 0.180 3 0 "[ . 1 . 2]"
1 29 ILE 0.189 0.071 2 0 "[ . 1 . 2]"
1 30 THR 0.364 0.088 2 0 "[ . 1 . 2]"
1 31 LEU 0.938 0.139 18 0 "[ . 1 . 2]"
1 32 LEU 1.686 0.183 14 0 "[ . 1 . 2]"
1 33 GLN 0.702 0.183 14 0 "[ . 1 . 2]"
1 34 VAL 0.232 0.090 11 0 "[ . 1 . 2]"
1 35 PRO 0.230 0.067 16 0 "[ . 1 . 2]"
1 36 ASP 0.101 0.067 16 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 TRP 0.572 0.120 14 0 "[ . 1 . 2]"
1 40 TRP 0.439 0.125 12 0 "[ . 1 . 2]"
1 41 GLU 0.589 0.225 6 0 "[ . 1 . 2]"
1 42 GLY 0.838 0.167 5 0 "[ . 1 . 2]"
1 43 GLU 0.536 0.118 14 0 "[ . 1 . 2]"
1 44 LYS 1.048 0.189 13 0 "[ . 1 . 2]"
1 45 GLU 0.053 0.053 13 0 "[ . 1 . 2]"
1 46 ASP 0.210 0.109 8 0 "[ . 1 . 2]"
1 47 GLY 0.070 0.045 7 0 "[ . 1 . 2]"
1 48 LEU 0.259 0.189 13 0 "[ . 1 . 2]"
1 49 ARG 0.154 0.118 14 0 "[ . 1 . 2]"
1 50 GLY 0.121 0.062 3 0 "[ . 1 . 2]"
1 51 TRP 0.969 0.223 9 0 "[ . 1 . 2]"
1 52 PHE 1.685 0.225 6 0 "[ . 1 . 2]"
1 53 PRO 0.289 0.119 13 0 "[ . 1 . 2]"
1 54 ALA 0.561 0.139 18 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 TYR 0.324 0.119 13 0 "[ . 1 . 2]"
1 57 VAL 0.866 0.125 12 0 "[ . 1 . 2]"
1 58 GLN 0.613 0.149 3 0 "[ . 1 . 2]"
1 59 LEU 1.334 0.189 18 0 "[ . 1 . 2]"
1 60 LEU 1.830 0.208 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER H 1 3 GLY H 4.000 . 6.000 4.026 2.464 4.619 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLY H 1 4 ALA H 4.000 . 5.000 3.925 2.556 4.606 . 0 0 "[ . 1 . 2]" 1
3 1 4 ALA H 1 4 ALA MB 3.000 . 3.500 2.308 2.242 2.602 . 0 0 "[ . 1 . 2]" 1
4 1 4 ALA H 1 5 ARG QB 4.000 . 6.000 5.527 4.573 6.163 0.163 16 0 "[ . 1 . 2]" 1
5 1 4 ALA H 1 31 LEU HB2 4.000 . 6.000 4.546 3.034 6.123 0.123 8 0 "[ . 1 . 2]" 1
6 1 4 ALA HA 1 5 ARG H 3.000 . 3.500 2.224 2.129 2.433 . 0 0 "[ . 1 . 2]" 1
7 1 4 ALA MB 1 30 THR HA 4.000 . 6.000 5.017 3.843 6.001 0.001 2 0 "[ . 1 . 2]" 1
8 1 4 ALA MB 1 31 LEU MD1 4.000 . 5.000 2.462 1.918 3.245 . 0 0 "[ . 1 . 2]" 1
9 1 5 ARG H 1 5 ARG QB 3.000 . 3.500 2.733 2.250 3.344 . 0 0 "[ . 1 . 2]" 1
10 1 5 ARG H 1 5 ARG QG 4.000 . 5.000 2.977 1.962 4.185 . 0 0 "[ . 1 . 2]" 1
11 1 5 ARG HA 1 6 CYS H 3.000 . 3.500 2.287 2.133 2.557 . 0 0 "[ . 1 . 2]" 1
12 1 5 ARG HA 1 30 THR HA 4.000 . 5.000 2.657 1.958 3.632 . 0 0 "[ . 1 . 2]" 1
13 1 5 ARG HA 1 30 THR MG 4.000 . 5.000 4.019 3.082 5.088 0.088 2 0 "[ . 1 . 2]" 1
14 1 5 ARG HA 1 31 LEU H 4.000 . 5.000 2.937 1.929 3.849 . 0 0 "[ . 1 . 2]" 1
15 1 5 ARG QB 1 30 THR HA 4.000 . 5.000 3.750 2.127 4.836 . 0 0 "[ . 1 . 2]" 1
16 1 5 ARG QB 1 60 LEU MD1 4.000 . 5.000 2.703 1.836 4.515 . 0 0 "[ . 1 . 2]" 1
17 1 5 ARG QD 1 28 LEU MD1 4.000 . 5.000 3.924 2.629 5.051 0.051 13 0 "[ . 1 . 2]" 1
18 1 5 ARG QD 1 28 LEU MD2 4.000 . 5.000 3.508 1.872 5.096 0.096 5 0 "[ . 1 . 2]" 1
19 1 5 ARG QD 1 60 LEU MD1 4.000 . 6.000 2.863 2.112 4.852 . 0 0 "[ . 1 . 2]" 1
20 1 5 ARG QD 1 60 LEU MD2 4.000 . 5.000 4.728 2.865 5.208 0.208 16 0 "[ . 1 . 2]" 1
21 1 5 ARG QG 1 6 CYS H 4.000 . 5.000 3.698 1.787 4.268 0.013 12 0 "[ . 1 . 2]" 1
22 1 5 ARG QG 1 30 THR HA 4.000 . 5.000 3.653 1.867 5.067 0.067 1 0 "[ . 1 . 2]" 1
23 1 5 ARG QG 1 60 LEU MD1 4.000 . 5.000 3.393 1.999 4.910 . 0 0 "[ . 1 . 2]" 1
24 1 6 CYS H 1 28 LEU HA 4.000 . 6.000 4.254 3.852 4.707 . 0 0 "[ . 1 . 2]" 1
25 1 6 CYS H 1 29 ILE H 4.000 . 5.000 3.213 2.807 3.706 . 0 0 "[ . 1 . 2]" 1
26 1 6 CYS H 1 29 ILE HB 4.000 . 5.000 3.694 2.570 4.457 . 0 0 "[ . 1 . 2]" 1
27 1 6 CYS H 1 30 THR HA 4.000 . 5.000 3.858 3.278 4.630 . 0 0 "[ . 1 . 2]" 1
28 1 6 CYS H 1 60 LEU MD1 4.000 . 5.000 3.942 3.226 5.047 0.047 18 0 "[ . 1 . 2]" 1
29 1 6 CYS HA 1 7 ARG H 3.000 . 3.500 2.357 2.206 2.688 . 0 0 "[ . 1 . 2]" 1
30 1 6 CYS HA 1 59 LEU HA 4.000 . 5.000 2.718 1.611 3.835 0.189 18 0 "[ . 1 . 2]" 1
31 1 6 CYS HA 1 60 LEU H 3.000 . 3.500 2.743 2.251 3.522 0.022 19 0 "[ . 1 . 2]" 1
32 1 6 CYS HA 1 60 LEU MD1 4.000 . 5.000 3.497 2.231 4.605 . 0 0 "[ . 1 . 2]" 1
33 1 6 CYS HA 1 60 LEU MD2 4.000 . 6.000 3.937 2.198 4.937 . 0 0 "[ . 1 . 2]" 1
34 1 6 CYS HA 1 60 LEU HG 4.000 . 5.000 2.815 1.966 4.801 . 0 0 "[ . 1 . 2]" 1
35 1 6 CYS QB 1 7 ARG H 3.000 . 3.500 2.657 2.211 3.342 . 0 0 "[ . 1 . 2]" 1
36 1 6 CYS QB 1 29 ILE HB 4.000 . 5.000 3.002 1.836 4.786 . 0 0 "[ . 1 . 2]" 1
37 1 6 CYS QB 1 29 ILE MG 4.000 . 5.000 3.953 3.149 5.038 0.038 1 0 "[ . 1 . 2]" 1
38 1 6 CYS QB 1 57 VAL HB 4.000 . 5.000 2.327 1.758 3.760 0.042 11 0 "[ . 1 . 2]" 1
39 1 6 CYS QB 1 57 VAL MG2 4.000 . 5.000 2.705 1.935 3.906 . 0 0 "[ . 1 . 2]" 1
40 1 6 CYS QB 1 59 LEU HA 4.000 . 5.000 3.313 2.493 3.899 . 0 0 "[ . 1 . 2]" 1
41 1 6 CYS QB 1 59 LEU MD2 4.000 . 5.000 3.186 2.056 4.424 . 0 0 "[ . 1 . 2]" 1
42 1 6 CYS QB 1 60 LEU H 4.000 . 5.000 4.349 3.494 5.060 0.060 10 0 "[ . 1 . 2]" 1
43 1 6 CYS HB2 1 7 ARG H 4.000 . 5.000 3.586 2.230 4.036 . 0 0 "[ . 1 . 2]" 1
44 1 6 CYS HB2 1 57 VAL HB 4.000 . 5.000 3.122 1.960 4.833 . 0 0 "[ . 1 . 2]" 1
45 1 6 CYS HB2 1 57 VAL MG2 4.000 . 5.000 3.256 2.683 4.518 . 0 0 "[ . 1 . 2]" 1
46 1 6 CYS HB2 1 59 LEU HA 4.000 . 5.000 4.420 3.086 5.078 0.078 12 0 "[ . 1 . 2]" 1
47 1 6 CYS HB2 1 59 LEU MD2 4.000 . 5.000 4.052 2.948 5.152 0.152 6 0 "[ . 1 . 2]" 1
48 1 6 CYS HB2 1 60 LEU H 4.000 . 6.000 5.327 4.348 6.095 0.095 5 0 "[ . 1 . 2]" 1
49 1 6 CYS HB3 1 7 ARG H 4.000 . 5.000 2.906 2.260 4.142 . 0 0 "[ . 1 . 2]" 1
50 1 6 CYS HB3 1 57 VAL HB 4.000 . 5.000 2.612 1.776 3.987 0.024 11 0 "[ . 1 . 2]" 1
51 1 6 CYS HB3 1 57 VAL MG2 4.000 . 5.000 2.971 1.953 4.274 . 0 0 "[ . 1 . 2]" 1
52 1 6 CYS HB3 1 59 LEU HA 4.000 . 5.000 3.471 2.625 4.205 . 0 0 "[ . 1 . 2]" 1
53 1 6 CYS HB3 1 59 LEU MD2 4.000 . 5.000 3.402 2.096 5.146 0.146 18 0 "[ . 1 . 2]" 1
54 1 6 CYS HB3 1 60 LEU H 4.000 . 6.000 4.647 3.648 5.456 . 0 0 "[ . 1 . 2]" 1
55 1 7 ARG H 1 59 LEU HA 4.000 . 6.000 4.011 2.588 4.825 . 0 0 "[ . 1 . 2]" 1
56 1 7 ARG H 1 60 LEU H 4.000 . 5.000 4.362 3.781 5.015 0.015 13 0 "[ . 1 . 2]" 1
57 1 7 ARG H 1 60 LEU MD1 4.000 . 5.000 3.824 2.578 4.761 . 0 0 "[ . 1 . 2]" 1
58 1 7 ARG H 1 60 LEU MD2 4.000 . 5.000 3.647 2.614 5.054 0.054 5 0 "[ . 1 . 2]" 1
59 1 7 ARG H 1 60 LEU HG 4.000 . 5.000 3.367 2.413 4.971 . 0 0 "[ . 1 . 2]" 1
60 1 7 ARG HA 1 8 THR H 3.000 . 3.500 2.179 2.080 2.297 . 0 0 "[ . 1 . 2]" 1
61 1 7 ARG HA 1 28 LEU HA 4.000 . 5.000 2.679 2.003 3.250 . 0 0 "[ . 1 . 2]" 1
62 1 7 ARG HA 1 28 LEU MD2 4.000 . 5.000 3.659 2.231 5.180 0.180 3 0 "[ . 1 . 2]" 1
63 1 7 ARG HA 1 29 ILE H 4.000 . 5.000 3.359 2.807 3.845 . 0 0 "[ . 1 . 2]" 1
64 1 7 ARG HA 1 60 LEU MD1 4.000 . 6.000 3.985 3.270 5.248 . 0 0 "[ . 1 . 2]" 1
65 1 7 ARG HA 1 60 LEU MD2 4.000 . 6.000 4.489 3.613 5.445 . 0 0 "[ . 1 . 2]" 1
66 1 7 ARG QB 1 58 GLN QB 4.000 . 5.000 3.086 1.753 4.107 0.047 16 0 "[ . 1 . 2]" 1
67 1 7 ARG QB 1 60 LEU MD2 4.000 . 5.000 2.414 1.749 3.457 0.051 3 0 "[ . 1 . 2]" 1
68 1 7 ARG HB2 1 60 LEU MD2 4.000 . 5.000 2.605 1.766 4.482 0.034 3 0 "[ . 1 . 2]" 1
69 1 7 ARG HB3 1 60 LEU MD2 4.000 . 5.000 3.161 2.363 4.598 . 0 0 "[ . 1 . 2]" 1
70 1 7 ARG QD 1 60 LEU MD2 4.000 . 5.000 3.253 1.870 4.881 . 0 0 "[ . 1 . 2]" 1
71 1 7 ARG QG 1 8 THR H 4.000 . 5.000 3.027 2.337 4.438 . 0 0 "[ . 1 . 2]" 1
72 1 7 ARG HG2 1 8 THR H 4.000 . 5.000 3.334 2.515 5.098 0.098 8 0 "[ . 1 . 2]" 1
73 1 7 ARG HG3 1 8 THR H 4.000 . 5.000 3.701 2.775 5.116 0.116 19 0 "[ . 1 . 2]" 1
74 1 8 THR H 1 8 THR HG1 4.000 . 5.000 3.119 2.797 3.430 . 0 0 "[ . 1 . 2]" 1
75 1 8 THR H 1 8 THR MG 3.000 . 3.500 2.446 2.259 2.725 . 0 0 "[ . 1 . 2]" 1
76 1 8 THR H 1 26 GLY H 4.000 . 5.000 3.621 2.889 4.266 . 0 0 "[ . 1 . 2]" 1
77 1 8 THR H 1 27 GLU H 4.000 . 5.000 3.616 2.922 4.491 . 0 0 "[ . 1 . 2]" 1
78 1 8 THR H 1 27 GLU QB 4.000 . 6.000 4.068 3.165 5.444 . 0 0 "[ . 1 . 2]" 1
79 1 8 THR H 1 28 LEU HA 4.000 . 5.000 4.056 3.550 4.630 . 0 0 "[ . 1 . 2]" 1
80 1 8 THR H 1 57 VAL HB 4.000 . 6.000 5.026 4.585 5.810 . 0 0 "[ . 1 . 2]" 1
81 1 8 THR HA 1 9 LEU H 3.000 . 3.500 2.173 2.122 2.265 . 0 0 "[ . 1 . 2]" 1
82 1 8 THR HA 1 9 LEU HG 4.000 . 5.000 3.929 3.574 4.881 . 0 0 "[ . 1 . 2]" 1
83 1 8 THR HA 1 10 TYR H 4.000 . 5.000 4.252 3.275 4.853 . 0 0 "[ . 1 . 2]" 1
84 1 8 THR HA 1 57 VAL HA 4.000 . 5.000 2.772 1.791 4.061 0.009 19 0 "[ . 1 . 2]" 1
85 1 8 THR HA 1 57 VAL HB 4.000 . 5.000 3.802 2.941 4.743 . 0 0 "[ . 1 . 2]" 1
86 1 8 THR HA 1 57 VAL MG1 4.000 . 5.000 2.536 1.762 3.673 0.038 18 0 "[ . 1 . 2]" 1
87 1 8 THR HA 1 58 GLN H 4.000 . 6.000 3.850 3.396 4.401 . 0 0 "[ . 1 . 2]" 1
88 1 8 THR HB 1 9 LEU H 4.000 . 5.000 3.293 2.816 3.636 . 0 0 "[ . 1 . 2]" 1
89 1 8 THR HB 1 10 TYR H 4.000 . 5.000 3.704 2.885 4.470 . 0 0 "[ . 1 . 2]" 1
90 1 8 THR HB 1 25 ALA HA 4.000 . 5.000 3.175 2.345 3.864 . 0 0 "[ . 1 . 2]" 1
91 1 8 THR HG1 1 25 ALA HA 4.000 . 5.000 3.199 2.694 3.614 . 0 0 "[ . 1 . 2]" 1
92 1 8 THR HG1 1 26 GLY H 4.000 . 5.000 2.966 2.506 3.584 . 0 0 "[ . 1 . 2]" 1
93 1 8 THR HG1 1 27 GLU H 3.000 . 3.500 2.252 1.862 3.247 . 0 0 "[ . 1 . 2]" 1
94 1 8 THR MG 1 9 LEU H 4.000 . 5.000 3.899 3.499 4.115 . 0 0 "[ . 1 . 2]" 1
95 1 8 THR MG 1 27 GLU H 4.000 . 5.000 3.817 3.489 4.775 . 0 0 "[ . 1 . 2]" 1
96 1 8 THR MG 1 27 GLU QB 4.000 . 5.000 3.012 2.084 4.974 . 0 0 "[ . 1 . 2]" 1
97 1 8 THR MG 1 29 ILE QG 4.000 . 5.000 2.509 1.916 3.711 . 0 0 "[ . 1 . 2]" 1
98 1 8 THR MG 1 57 VAL MG1 3.000 . 3.500 2.279 1.782 3.158 0.018 1 0 "[ . 1 . 2]" 1
99 1 9 LEU H 1 9 LEU QB 3.000 . 3.500 2.463 2.369 2.964 . 0 0 "[ . 1 . 2]" 1
100 1 9 LEU H 1 9 LEU MD1 4.000 . 5.000 3.419 1.759 3.781 0.041 5 0 "[ . 1 . 2]" 1
101 1 9 LEU H 1 9 LEU MD2 4.000 . 5.000 3.468 3.050 4.158 . 0 0 "[ . 1 . 2]" 1
102 1 9 LEU H 1 9 LEU HG 4.000 . 5.000 2.448 1.919 3.439 . 0 0 "[ . 1 . 2]" 1
103 1 9 LEU H 1 10 TYR H 3.000 . 3.500 2.610 2.109 3.007 . 0 0 "[ . 1 . 2]" 1
104 1 9 LEU H 1 57 VAL HA 4.000 . 5.000 3.125 2.421 4.038 . 0 0 "[ . 1 . 2]" 1
105 1 9 LEU H 1 57 VAL MG1 4.000 . 5.000 3.873 2.728 4.863 . 0 0 "[ . 1 . 2]" 1
106 1 9 LEU HA 1 9 LEU MD2 4.000 . 5.000 2.355 1.994 4.142 . 0 0 "[ . 1 . 2]" 1
107 1 9 LEU HB2 1 10 TYR H 4.000 . 5.000 2.428 1.916 3.982 . 0 0 "[ . 1 . 2]" 1
108 1 9 LEU HB3 1 10 TYR H 4.000 . 5.000 3.459 2.965 4.418 . 0 0 "[ . 1 . 2]" 1
109 1 9 LEU MD1 1 56 TYR HA 4.000 . 5.000 3.645 2.465 4.863 . 0 0 "[ . 1 . 2]" 1
110 1 9 LEU MD1 1 57 VAL H 4.000 . 5.000 4.163 3.336 5.056 0.056 15 0 "[ . 1 . 2]" 1
111 1 9 LEU MD1 1 57 VAL HA 4.000 . 5.000 3.668 2.578 4.481 . 0 0 "[ . 1 . 2]" 1
112 1 9 LEU MD1 1 58 GLN H 4.000 . 5.000 4.075 2.899 4.997 . 0 0 "[ . 1 . 2]" 1
113 1 9 LEU MD1 1 58 GLN HA 4.000 . 6.000 4.151 3.170 5.478 . 0 0 "[ . 1 . 2]" 1
114 1 9 LEU MD1 1 58 GLN QB 4.000 . 5.000 3.196 2.022 4.849 . 0 0 "[ . 1 . 2]" 1
115 1 9 LEU MD2 1 58 GLN H 4.000 . 6.000 3.715 2.373 5.552 . 0 0 "[ . 1 . 2]" 1
116 1 9 LEU MD2 1 58 GLN QB 4.000 . 5.000 2.162 1.757 3.334 0.043 11 0 "[ . 1 . 2]" 1
117 1 9 LEU HG 1 57 VAL HA 4.000 . 5.000 3.151 2.302 5.071 0.071 5 0 "[ . 1 . 2]" 1
118 1 9 LEU HG 1 58 GLN H 4.000 . 5.000 3.502 2.538 5.123 0.123 1 0 "[ . 1 . 2]" 1
119 1 10 TYR H 1 25 ALA HA 4.000 . 5.000 4.351 3.516 4.866 . 0 0 "[ . 1 . 2]" 1
120 1 10 TYR H 1 25 ALA MB 4.000 . 5.000 4.199 3.419 5.025 0.025 19 0 "[ . 1 . 2]" 1
121 1 10 TYR HA 1 10 TYR QD 4.000 . 5.000 2.700 2.491 3.001 . 0 0 "[ . 1 . 2]" 1
122 1 10 TYR HA 1 11 PRO HD2 3.000 . 3.500 2.787 2.154 3.310 . 0 0 "[ . 1 . 2]" 1
123 1 10 TYR HA 1 11 PRO QD 3.000 . 3.500 2.136 1.921 2.320 . 0 0 "[ . 1 . 2]" 1
124 1 10 TYR HA 1 11 PRO HD3 3.000 . 3.500 2.296 1.938 2.594 . 0 0 "[ . 1 . 2]" 1
125 1 10 TYR HA 1 25 ALA MB 4.000 . 5.000 2.381 1.867 4.259 . 0 0 "[ . 1 . 2]" 1
126 1 10 TYR QB 1 11 PRO QD 4.000 . 5.000 2.460 2.123 3.632 . 0 0 "[ . 1 . 2]" 1
127 1 11 PRO HA 1 12 PHE H 3.000 . 3.500 2.317 2.113 3.032 . 0 0 "[ . 1 . 2]" 1
128 1 11 PRO QB 1 25 ALA H 4.000 . 5.000 2.977 1.921 5.142 0.142 1 0 "[ . 1 . 2]" 1
129 1 11 PRO HB2 1 12 PHE H 4.000 . 5.000 3.884 2.719 4.441 . 0 0 "[ . 1 . 2]" 1
130 1 11 PRO HB3 1 12 PHE H 4.000 . 5.000 4.093 3.105 4.708 . 0 0 "[ . 1 . 2]" 1
131 1 11 PRO QD 1 25 ALA MB 3.000 . 3.500 1.987 1.684 2.421 0.116 9 0 "[ . 1 . 2]" 1
132 1 11 PRO QG 1 25 ALA H 4.000 . 6.000 3.126 1.798 3.894 0.002 16 0 "[ . 1 . 2]" 1
133 1 12 PHE HA 1 12 PHE QD 4.000 . 5.000 2.665 1.932 3.790 . 0 0 "[ . 1 . 2]" 1
134 1 12 PHE QB 1 56 TYR QD 4.000 . 5.000 3.882 2.211 5.034 0.034 9 0 "[ . 1 . 2]" 1
135 1 14 GLY H 1 15 GLU H 4.000 . 5.000 3.247 1.847 4.450 . 0 0 "[ . 1 . 2]" 1
136 1 15 GLU H 1 15 GLU QB 3.000 . 3.500 2.763 2.243 3.396 . 0 0 "[ . 1 . 2]" 1
137 1 15 GLU H 1 15 GLU QG 4.000 . 5.000 3.367 2.239 4.561 . 0 0 "[ . 1 . 2]" 1
138 1 19 GLN HA 1 19 GLN HE21 4.000 . 6.000 3.875 1.740 5.104 0.060 8 0 "[ . 1 . 2]" 1
139 1 19 GLN HA 1 19 GLN HE22 4.000 . 6.000 4.790 3.327 6.139 0.139 1 0 "[ . 1 . 2]" 1
140 1 19 GLN HA 1 20 GLY H 3.000 . 3.500 2.445 2.139 3.309 . 0 0 "[ . 1 . 2]" 1
141 1 21 LEU H 1 21 LEU QB 3.000 . 3.500 2.379 2.278 2.716 . 0 0 "[ . 1 . 2]" 1
142 1 21 LEU H 1 51 TRP H 4.000 . 6.000 5.433 3.698 6.092 0.092 14 0 "[ . 1 . 2]" 1
143 1 21 LEU HA 1 21 LEU MD1 3.000 . 3.500 2.132 1.993 2.252 . 0 0 "[ . 1 . 2]" 1
144 1 21 LEU HA 1 22 ARG H 3.000 . 3.500 2.156 2.062 2.228 . 0 0 "[ . 1 . 2]" 1
145 1 21 LEU QB 1 50 GLY QA 4.000 . 5.000 2.491 1.836 3.712 . 0 0 "[ . 1 . 2]" 1
146 1 21 LEU QB 1 51 TRP H 4.000 . 5.000 4.425 3.123 4.954 . 0 0 "[ . 1 . 2]" 1
147 1 21 LEU QB 1 52 PHE QD 4.000 . 5.000 4.052 3.054 5.043 0.043 2 0 "[ . 1 . 2]" 1
148 1 21 LEU QB 1 52 PHE QE 4.000 . 5.000 2.433 1.721 3.869 0.079 1 0 "[ . 1 . 2]" 1
149 1 21 LEU MD1 1 22 ARG H 3.000 . 3.500 2.475 1.810 2.974 . 0 0 "[ . 1 . 2]" 1
150 1 21 LEU MD1 1 44 LYS H 4.000 . 5.000 3.632 2.092 5.055 0.055 15 0 "[ . 1 . 2]" 1
151 1 21 LEU MD1 1 44 LYS QE 4.000 . 5.000 4.174 2.034 5.030 0.030 16 0 "[ . 1 . 2]" 1
152 1 21 LEU MD1 1 44 LYS QG 3.000 . 3.500 2.897 1.955 3.664 0.164 2 0 "[ . 1 . 2]" 1
153 1 21 LEU MD1 1 48 LEU HB3 4.000 . 5.000 2.729 2.092 3.375 . 0 0 "[ . 1 . 2]" 1
154 1 21 LEU MD1 1 49 ARG HA 4.000 . 5.000 3.848 2.557 4.916 . 0 0 "[ . 1 . 2]" 1
155 1 21 LEU MD1 1 50 GLY H 4.000 . 5.000 4.449 2.733 5.029 0.029 3 0 "[ . 1 . 2]" 1
156 1 21 LEU MD1 1 50 GLY QA 4.000 . 5.000 4.015 2.162 4.738 . 0 0 "[ . 1 . 2]" 1
157 1 21 LEU MD2 1 49 ARG HA 4.000 . 5.000 3.044 1.990 4.604 . 0 0 "[ . 1 . 2]" 1
158 1 21 LEU MD2 1 50 GLY H 4.000 . 5.000 2.821 2.070 4.129 . 0 0 "[ . 1 . 2]" 1
159 1 21 LEU MD2 1 50 GLY QA 4.000 . 6.000 2.841 1.877 3.964 . 0 0 "[ . 1 . 2]" 1
160 1 21 LEU MD2 1 51 TRP HA 4.000 . 6.000 5.063 3.073 5.993 . 0 0 "[ . 1 . 2]" 1
161 1 21 LEU MD2 1 52 PHE QD 4.000 . 5.000 3.511 2.093 4.400 . 0 0 "[ . 1 . 2]" 1
162 1 21 LEU MD2 1 52 PHE QE 4.000 . 5.000 2.608 1.792 4.117 0.008 11 0 "[ . 1 . 2]" 1
163 1 21 LEU HG 1 22 ARG H 3.000 . 3.500 3.250 2.659 3.622 0.122 17 0 "[ . 1 . 2]" 1
164 1 22 ARG H 1 22 ARG QG 4.000 . 5.000 3.278 2.184 4.133 . 0 0 "[ . 1 . 2]" 1
165 1 22 ARG HA 1 23 PHE H 3.000 . 3.500 2.252 2.132 2.464 . 0 0 "[ . 1 . 2]" 1
166 1 22 ARG QB 1 22 ARG QD 3.000 . 3.500 2.383 2.150 2.908 . 0 0 "[ . 1 . 2]" 1
167 1 22 ARG HG2 1 23 PHE H 4.000 . 5.000 4.152 2.538 5.028 0.028 18 0 "[ . 1 . 2]" 1
168 1 22 ARG HG3 1 23 PHE H 4.000 . 5.000 4.262 2.738 5.182 0.182 1 0 "[ . 1 . 2]" 1
169 1 23 PHE HA 1 24 ALA H 3.000 . 3.500 2.245 2.103 2.521 . 0 0 "[ . 1 . 2]" 1
170 1 23 PHE QB 1 24 ALA H 3.000 . 3.500 2.927 2.161 3.525 0.025 14 0 "[ . 1 . 2]" 1
171 1 23 PHE QD 1 52 PHE QD 4.000 . 5.000 4.436 3.475 5.029 0.029 3 0 "[ . 1 . 2]" 1
172 1 23 PHE QD 1 57 VAL MG1 4.000 . 5.000 4.383 3.142 5.057 0.057 7 0 "[ . 1 . 2]" 1
173 1 23 PHE QE 1 57 VAL MG1 4.000 . 5.000 4.107 2.894 5.070 0.070 2 0 "[ . 1 . 2]" 1
174 1 24 ALA H 1 24 ALA MB 3.000 . 3.500 2.347 2.249 2.576 . 0 0 "[ . 1 . 2]" 1
175 1 24 ALA H 1 27 GLU HG2 4.000 . 5.000 3.648 2.339 4.884 . 0 0 "[ . 1 . 2]" 1
176 1 24 ALA H 1 27 GLU QG 4.000 . 5.000 2.821 1.807 4.323 . 0 0 "[ . 1 . 2]" 1
177 1 24 ALA H 1 27 GLU HG3 4.000 . 5.000 3.118 1.838 5.210 0.210 14 0 "[ . 1 . 2]" 1
178 1 24 ALA HA 1 25 ALA H 3.000 . 3.500 2.393 2.257 2.527 . 0 0 "[ . 1 . 2]" 1
179 1 24 ALA MB 1 25 ALA H 3.000 . 3.500 2.580 2.367 2.942 . 0 0 "[ . 1 . 2]" 1
180 1 24 ALA MB 1 27 GLU HG2 4.000 . 5.000 3.260 2.256 4.581 . 0 0 "[ . 1 . 2]" 1
181 1 24 ALA MB 1 27 GLU QG 4.000 . 5.000 2.710 1.877 4.054 . 0 0 "[ . 1 . 2]" 1
182 1 24 ALA MB 1 27 GLU HG3 4.000 . 5.000 3.168 1.917 5.017 0.017 3 0 "[ . 1 . 2]" 1
183 1 25 ALA H 1 25 ALA MB 3.000 . 3.500 2.260 2.229 2.295 . 0 0 "[ . 1 . 2]" 1
184 1 25 ALA H 1 27 GLU QG 4.000 . 6.000 4.877 4.117 6.250 0.250 14 0 "[ . 1 . 2]" 1
185 1 25 ALA HA 1 26 GLY H 3.000 . 3.500 2.187 2.143 2.258 . 0 0 "[ . 1 . 2]" 1
186 1 25 ALA HA 1 27 GLU H 4.000 . 5.000 3.638 3.330 3.865 . 0 0 "[ . 1 . 2]" 1
187 1 26 GLY H 1 27 GLU H 3.000 . 3.500 2.456 2.054 2.750 . 0 0 "[ . 1 . 2]" 1
188 1 27 GLU H 1 27 GLU QB 3.000 . 3.500 2.453 2.256 2.785 . 0 0 "[ . 1 . 2]" 1
189 1 27 GLU H 1 27 GLU QG 4.000 . 5.000 2.608 1.876 4.054 . 0 0 "[ . 1 . 2]" 1
190 1 27 GLU HA 1 28 LEU H 3.000 . 3.500 2.205 2.114 2.407 . 0 0 "[ . 1 . 2]" 1
191 1 27 GLU QB 1 28 LEU H 3.000 . 3.500 2.999 2.335 3.619 0.119 1 0 "[ . 1 . 2]" 1
192 1 27 GLU QB 1 29 ILE MD 4.000 . 5.000 2.946 1.994 4.465 . 0 0 "[ . 1 . 2]" 1
193 1 27 GLU HB2 1 28 LEU H 4.000 . 5.000 3.965 2.358 4.460 . 0 0 "[ . 1 . 2]" 1
194 1 27 GLU HB2 1 29 ILE MD 4.000 . 6.000 3.417 2.371 5.553 . 0 0 "[ . 1 . 2]" 1
195 1 27 GLU HB3 1 28 LEU H 4.000 . 5.000 3.231 2.530 4.011 . 0 0 "[ . 1 . 2]" 1
196 1 27 GLU HB3 1 29 ILE MD 4.000 . 6.000 3.343 2.121 5.797 . 0 0 "[ . 1 . 2]" 1
197 1 28 LEU H 1 28 LEU QB 3.000 . 3.500 2.476 2.280 2.583 . 0 0 "[ . 1 . 2]" 1
198 1 28 LEU H 1 28 LEU MD1 4.000 . 5.000 3.378 1.966 4.050 . 0 0 "[ . 1 . 2]" 1
199 1 28 LEU H 1 28 LEU MD2 4.000 . 5.000 3.412 2.049 4.299 . 0 0 "[ . 1 . 2]" 1
200 1 28 LEU H 1 28 LEU HG 4.000 . 5.000 3.072 2.187 4.252 . 0 0 "[ . 1 . 2]" 1
201 1 28 LEU H 1 29 ILE MD 4.000 . 5.000 4.329 3.560 5.054 0.054 2 0 "[ . 1 . 2]" 1
202 1 28 LEU HA 1 28 LEU MD1 4.000 . 5.000 3.444 2.021 3.981 . 0 0 "[ . 1 . 2]" 1
203 1 28 LEU HA 1 28 LEU MD2 4.000 . 5.000 2.704 2.064 3.823 . 0 0 "[ . 1 . 2]" 1
204 1 28 LEU HA 1 29 ILE H 3.000 . 3.500 2.186 2.130 2.401 . 0 0 "[ . 1 . 2]" 1
205 1 28 LEU QB 1 28 LEU MD1 3.000 . 3.500 2.243 2.140 2.450 . 0 0 "[ . 1 . 2]" 1
206 1 28 LEU QB 1 28 LEU HG 2.000 . 2.700 2.357 2.169 2.441 . 0 0 "[ . 1 . 2]" 1
207 1 28 LEU MD2 1 29 ILE H 4.000 . 6.000 4.335 3.676 5.366 . 0 0 "[ . 1 . 2]" 1
208 1 29 ILE H 1 29 ILE MD 4.000 . 5.000 3.098 1.878 3.761 . 0 0 "[ . 1 . 2]" 1
209 1 29 ILE H 1 29 ILE QG 4.000 . 5.000 2.770 2.192 3.656 . 0 0 "[ . 1 . 2]" 1
210 1 29 ILE HA 1 29 ILE MD 4.000 . 5.000 2.460 2.016 3.416 . 0 0 "[ . 1 . 2]" 1
211 1 29 ILE HA 1 30 THR H 3.000 . 3.500 2.179 2.138 2.301 . 0 0 "[ . 1 . 2]" 1
212 1 29 ILE HB 1 30 THR H 4.000 . 5.000 4.326 3.914 4.461 . 0 0 "[ . 1 . 2]" 1
213 1 29 ILE MD 1 29 ILE MG 3.000 . 3.500 2.470 2.089 3.321 . 0 0 "[ . 1 . 2]" 1
214 1 29 ILE QG 1 57 VAL MG1 4.000 . 5.000 3.250 1.729 4.447 0.071 2 0 "[ . 1 . 2]" 1
215 1 29 ILE MG 1 30 THR H 4.000 . 5.000 3.004 2.480 3.315 . 0 0 "[ . 1 . 2]" 1
216 1 29 ILE MG 1 31 LEU H 4.000 . 5.000 4.068 3.571 4.732 . 0 0 "[ . 1 . 2]" 1
217 1 29 ILE MG 1 31 LEU HA 4.000 . 5.000 3.642 3.228 4.180 . 0 0 "[ . 1 . 2]" 1
218 1 29 ILE MG 1 42 GLY HA2 4.000 . 5.000 3.256 2.398 4.157 . 0 0 "[ . 1 . 2]" 1
219 1 29 ILE MG 1 42 GLY HA3 4.000 . 5.000 2.285 1.952 2.888 . 0 0 "[ . 1 . 2]" 1
220 1 29 ILE MG 1 43 GLU H 4.000 . 5.000 3.093 2.173 4.535 . 0 0 "[ . 1 . 2]" 1
221 1 30 THR H 1 30 THR MG 4.000 . 5.000 3.694 2.402 3.917 . 0 0 "[ . 1 . 2]" 1
222 1 30 THR H 1 31 LEU H 4.000 . 5.000 4.375 4.225 4.577 . 0 0 "[ . 1 . 2]" 1
223 1 30 THR H 1 43 GLU H 4.000 . 5.000 3.793 2.926 4.871 . 0 0 "[ . 1 . 2]" 1
224 1 30 THR HA 1 31 LEU H 3.000 . 3.500 2.175 2.139 2.250 . 0 0 "[ . 1 . 2]" 1
225 1 30 THR HB 1 31 LEU H 4.000 . 6.000 4.279 3.727 4.466 . 0 0 "[ . 1 . 2]" 1
226 1 30 THR HB 1 32 LEU MD2 4.000 . 5.000 3.796 3.024 4.632 . 0 0 "[ . 1 . 2]" 1
227 1 30 THR HB 1 43 GLU H 4.000 . 5.000 4.000 2.966 4.966 . 0 0 "[ . 1 . 2]" 1
228 1 30 THR HB 1 43 GLU QB 4.000 . 5.000 4.189 2.303 5.077 0.077 20 0 "[ . 1 . 2]" 1
229 1 30 THR MG 1 31 LEU H 4.000 . 5.000 3.173 2.582 4.127 . 0 0 "[ . 1 . 2]" 1
230 1 31 LEU H 1 31 LEU MD1 4.000 . 6.000 3.451 1.895 3.791 . 0 0 "[ . 1 . 2]" 1
231 1 31 LEU H 1 31 LEU HG 3.000 . 3.500 2.394 1.929 3.609 0.109 15 0 "[ . 1 . 2]" 1
232 1 31 LEU HA 1 31 LEU MD1 4.000 . 5.000 3.826 2.890 4.013 . 0 0 "[ . 1 . 2]" 1
233 1 31 LEU HA 1 31 LEU MD2 4.000 . 5.000 2.518 2.014 4.164 . 0 0 "[ . 1 . 2]" 1
234 1 31 LEU HA 1 32 LEU H 3.000 . 3.500 2.175 2.106 2.297 . 0 0 "[ . 1 . 2]" 1
235 1 31 LEU HA 1 42 GLY HA2 4.000 . 5.000 2.563 1.773 3.878 0.027 18 0 "[ . 1 . 2]" 1
236 1 31 LEU HA 1 42 GLY HA3 4.000 . 5.000 3.319 2.276 5.033 0.033 2 0 "[ . 1 . 2]" 1
237 1 31 LEU HB3 1 34 VAL MG1 4.000 . 5.000 3.112 2.109 5.045 0.045 1 0 "[ . 1 . 2]" 1
238 1 31 LEU MD1 1 34 VAL MG1 4.000 . 5.000 2.648 1.982 3.977 . 0 0 "[ . 1 . 2]" 1
239 1 31 LEU MD2 1 32 LEU H 4.000 . 5.000 4.036 3.401 5.095 0.095 15 0 "[ . 1 . 2]" 1
240 1 31 LEU MD2 1 34 VAL MG1 4.000 . 5.000 3.664 2.045 5.081 0.081 3 0 "[ . 1 . 2]" 1
241 1 31 LEU MD2 1 40 TRP QB 4.000 . 5.000 2.142 1.869 3.049 . 0 0 "[ . 1 . 2]" 1
242 1 31 LEU MD2 1 40 TRP HE3 4.000 . 5.000 3.475 2.366 4.576 . 0 0 "[ . 1 . 2]" 1
243 1 31 LEU MD2 1 54 ALA MB 4.000 . 6.000 5.611 4.926 6.139 0.139 18 0 "[ . 1 . 2]" 1
244 1 32 LEU H 1 32 LEU HG 4.000 . 5.000 2.394 2.138 2.834 . 0 0 "[ . 1 . 2]" 1
245 1 32 LEU H 1 33 GLN H 3.000 . 3.500 2.418 2.091 2.586 . 0 0 "[ . 1 . 2]" 1
246 1 32 LEU H 1 42 GLY HA2 4.000 . 5.000 2.676 1.771 4.091 0.029 17 0 "[ . 1 . 2]" 1
247 1 32 LEU HA 1 32 LEU MD2 3.000 . 3.500 2.125 1.969 2.218 . 0 0 "[ . 1 . 2]" 1
248 1 32 LEU QB 1 33 GLN H 3.000 . 3.500 2.521 2.147 3.369 . 0 0 "[ . 1 . 2]" 1
249 1 32 LEU QB 1 33 GLN QG 4.000 . 5.000 3.816 2.559 5.183 0.183 14 0 "[ . 1 . 2]" 1
250 1 32 LEU QB 1 42 GLY HA2 4.000 . 5.000 4.026 3.097 5.018 0.018 8 0 "[ . 1 . 2]" 1
251 1 32 LEU HB2 1 33 GLN H 4.000 . 5.000 2.573 2.178 3.524 . 0 0 "[ . 1 . 2]" 1
252 1 32 LEU HB3 1 33 GLN H 4.000 . 5.000 3.663 3.270 4.283 . 0 0 "[ . 1 . 2]" 1
253 1 32 LEU MD1 1 42 GLY H 4.000 . 5.000 4.443 3.485 5.167 0.167 5 0 "[ . 1 . 2]" 1
254 1 32 LEU MD1 1 42 GLY HA2 4.000 . 5.000 3.763 2.771 4.618 . 0 0 "[ . 1 . 2]" 1
255 1 32 LEU MD1 1 43 GLU H 4.000 . 5.000 3.813 2.490 4.522 . 0 0 "[ . 1 . 2]" 1
256 1 32 LEU MD1 1 43 GLU QB 4.000 . 5.000 2.310 1.744 4.001 0.056 2 0 "[ . 1 . 2]" 1
257 1 32 LEU MD1 1 49 ARG QB 4.000 . 5.000 3.143 2.148 4.233 . 0 0 "[ . 1 . 2]" 1
258 1 32 LEU MD1 1 49 ARG HD2 4.000 . 5.000 2.930 2.156 4.587 . 0 0 "[ . 1 . 2]" 1
259 1 32 LEU MD1 1 49 ARG HD3 4.000 . 5.000 2.871 2.024 4.765 . 0 0 "[ . 1 . 2]" 1
260 1 32 LEU MD2 1 43 GLU H 4.000 . 5.000 3.665 2.308 4.567 . 0 0 "[ . 1 . 2]" 1
261 1 32 LEU MD2 1 43 GLU QB 4.000 . 5.000 2.588 1.849 3.675 . 0 0 "[ . 1 . 2]" 1
262 1 32 LEU MD2 1 43 GLU QG 4.000 . 5.000 3.206 2.014 4.816 . 0 0 "[ . 1 . 2]" 1
263 1 32 LEU HG 1 42 GLY HA2 4.000 . 5.000 2.725 1.797 3.701 0.003 20 0 "[ . 1 . 2]" 1
264 1 32 LEU HG 1 42 GLY HA3 4.000 . 5.000 4.347 3.439 5.117 0.117 14 0 "[ . 1 . 2]" 1
265 1 32 LEU HG 1 43 GLU H 4.000 . 5.000 3.249 2.303 4.286 . 0 0 "[ . 1 . 2]" 1
266 1 33 GLN H 1 33 GLN HG2 4.000 . 5.000 3.981 2.661 4.728 . 0 0 "[ . 1 . 2]" 1
267 1 33 GLN H 1 33 GLN HG3 4.000 . 5.000 4.136 2.779 4.933 . 0 0 "[ . 1 . 2]" 1
268 1 33 GLN H 1 41 GLU H 4.000 . 5.000 3.607 2.664 4.286 . 0 0 "[ . 1 . 2]" 1
269 1 33 GLN HA 1 34 VAL H 3.000 . 3.500 2.271 2.145 2.429 . 0 0 "[ . 1 . 2]" 1
270 1 33 GLN QB 1 35 PRO QD 4.000 . 5.000 2.949 1.784 3.866 0.016 10 0 "[ . 1 . 2]" 1
271 1 33 GLN HB2 1 34 VAL H 4.000 . 5.000 3.965 2.427 4.212 . 0 0 "[ . 1 . 2]" 1
272 1 33 GLN HB3 1 34 VAL H 4.000 . 5.000 3.356 2.651 4.144 . 0 0 "[ . 1 . 2]" 1
273 1 34 VAL H 1 34 VAL MG1 4.000 . 5.000 3.168 2.769 3.478 . 0 0 "[ . 1 . 2]" 1
274 1 34 VAL H 1 34 VAL MG2 3.000 . 3.500 2.210 1.980 2.412 . 0 0 "[ . 1 . 2]" 1
275 1 34 VAL H 1 35 PRO QD 4.000 . 5.000 3.345 2.555 3.930 . 0 0 "[ . 1 . 2]" 1
276 1 34 VAL HA 1 35 PRO QD 3.000 . 3.500 2.187 1.988 2.583 . 0 0 "[ . 1 . 2]" 1
277 1 34 VAL HA 1 40 TRP HD1 4.000 . 5.000 2.222 1.710 3.289 0.090 11 0 "[ . 1 . 2]" 1
278 1 34 VAL HA 1 40 TRP HE1 4.000 . 5.000 3.494 2.538 4.658 . 0 0 "[ . 1 . 2]" 1
279 1 34 VAL HB 1 40 TRP HE1 4.000 . 5.000 3.562 2.455 4.836 . 0 0 "[ . 1 . 2]" 1
280 1 34 VAL MG1 1 40 TRP HD1 4.000 . 5.000 3.161 2.147 4.527 . 0 0 "[ . 1 . 2]" 1
281 1 34 VAL MG1 1 40 TRP HE1 4.000 . 5.000 3.511 1.831 4.576 . 0 0 "[ . 1 . 2]" 1
282 1 35 PRO HA 1 36 ASP H 3.000 . 3.500 2.773 2.149 3.567 0.067 16 0 "[ . 1 . 2]" 1
283 1 35 PRO QD 1 40 TRP HA 4.000 . 5.000 2.671 1.875 3.628 . 0 0 "[ . 1 . 2]" 1
284 1 35 PRO QD 1 40 TRP HD1 4.000 . 5.000 2.073 1.745 2.818 0.055 1 0 "[ . 1 . 2]" 1
285 1 35 PRO QD 1 40 TRP HE1 4.000 . 5.000 3.614 2.386 4.714 . 0 0 "[ . 1 . 2]" 1
286 1 35 PRO QG 1 36 ASP H 4.000 . 5.000 3.822 2.513 4.703 . 0 0 "[ . 1 . 2]" 1
287 1 36 ASP H 1 36 ASP QB 3.000 . 3.500 2.588 2.249 3.372 . 0 0 "[ . 1 . 2]" 1
288 1 38 GLY H 1 39 TRP H 4.000 . 5.000 3.222 2.029 4.375 . 0 0 "[ . 1 . 2]" 1
289 1 39 TRP H 1 39 TRP HD1 4.000 . 5.000 2.837 2.045 5.053 0.053 18 0 "[ . 1 . 2]" 1
290 1 39 TRP HA 1 39 TRP HD1 4.000 . 5.000 4.156 3.622 4.572 . 0 0 "[ . 1 . 2]" 1
291 1 39 TRP HA 1 40 TRP H 3.000 . 3.500 2.213 2.126 2.426 . 0 0 "[ . 1 . 2]" 1
292 1 39 TRP HA 1 53 PRO HA 4.000 . 5.000 2.736 1.991 3.702 . 0 0 "[ . 1 . 2]" 1
293 1 39 TRP HA 1 54 ALA H 4.000 . 5.000 3.960 2.672 5.120 0.120 14 0 "[ . 1 . 2]" 1
294 1 39 TRP HB2 1 40 TRP H 4.000 . 5.000 4.044 2.535 4.509 . 0 0 "[ . 1 . 2]" 1
295 1 39 TRP HB3 1 40 TRP H 4.000 . 5.000 3.613 3.037 4.367 . 0 0 "[ . 1 . 2]" 1
296 1 39 TRP HZ3 1 52 PHE HA 4.000 . 5.000 3.926 2.612 5.117 0.117 10 0 "[ . 1 . 2]" 1
297 1 40 TRP H 1 52 PHE H 4.000 . 5.000 3.634 2.839 5.073 0.073 12 0 "[ . 1 . 2]" 1
298 1 40 TRP HA 1 40 TRP HD1 4.000 . 5.000 2.774 2.243 3.451 . 0 0 "[ . 1 . 2]" 1
299 1 40 TRP HA 1 41 GLU H 3.000 . 3.500 2.301 2.203 2.559 . 0 0 "[ . 1 . 2]" 1
300 1 40 TRP QB 1 41 GLU H 3.000 . 3.500 2.740 2.115 3.217 . 0 0 "[ . 1 . 2]" 1
301 1 40 TRP HB2 1 41 GLU H 4.000 . 5.000 3.855 3.312 4.227 . 0 0 "[ . 1 . 2]" 1
302 1 40 TRP HB3 1 41 GLU H 4.000 . 5.000 2.807 2.140 3.335 . 0 0 "[ . 1 . 2]" 1
303 1 40 TRP HE3 1 54 ALA HA 4.000 . 5.000 3.817 2.871 4.846 . 0 0 "[ . 1 . 2]" 1
304 1 40 TRP HE3 1 54 ALA MB 4.000 . 5.000 3.650 2.622 4.392 . 0 0 "[ . 1 . 2]" 1
305 1 40 TRP HE3 1 57 VAL MG2 4.000 . 5.000 3.585 1.807 4.934 . 0 0 "[ . 1 . 2]" 1
306 1 40 TRP HZ3 1 57 VAL MG2 4.000 . 5.000 3.796 2.332 5.125 0.125 12 0 "[ . 1 . 2]" 1
307 1 41 GLU H 1 41 GLU QB 3.000 . 3.500 2.546 2.283 3.198 . 0 0 "[ . 1 . 2]" 1
308 1 41 GLU H 1 42 GLY H 4.000 . 5.000 4.432 4.293 4.562 . 0 0 "[ . 1 . 2]" 1
309 1 41 GLU HA 1 42 GLY H 3.000 . 3.500 2.181 2.084 2.373 . 0 0 "[ . 1 . 2]" 1
310 1 41 GLU HA 1 51 TRP HA 4.000 . 5.000 2.850 1.859 4.920 . 0 0 "[ . 1 . 2]" 1
311 1 41 GLU HA 1 52 PHE H 4.000 . 5.000 3.837 3.130 5.225 0.225 6 0 "[ . 1 . 2]" 1
312 1 41 GLU QG 1 42 GLY H 4.000 . 5.000 3.748 2.659 4.461 . 0 0 "[ . 1 . 2]" 1
313 1 41 GLU QG 1 50 GLY H 4.000 . 6.000 4.922 2.835 6.062 0.062 3 0 "[ . 1 . 2]" 1
314 1 42 GLY H 1 49 ARG HA 4.000 . 6.000 4.957 4.205 5.345 . 0 0 "[ . 1 . 2]" 1
315 1 42 GLY H 1 50 GLY H 4.000 . 5.000 3.339 2.826 3.871 . 0 0 "[ . 1 . 2]" 1
316 1 42 GLY H 1 51 TRP HA 4.000 . 6.000 3.776 3.201 5.098 . 0 0 "[ . 1 . 2]" 1
317 1 42 GLY HA2 1 43 GLU H 3.000 . 3.500 2.365 2.127 2.567 . 0 0 "[ . 1 . 2]" 1
318 1 42 GLY HA3 1 43 GLU H 3.000 . 3.500 2.814 2.523 3.211 . 0 0 "[ . 1 . 2]" 1
319 1 43 GLU H 1 43 GLU QG 4.000 . 5.000 3.498 2.112 4.210 . 0 0 "[ . 1 . 2]" 1
320 1 43 GLU HA 1 44 LYS H 3.000 . 3.500 2.208 2.113 2.349 . 0 0 "[ . 1 . 2]" 1
321 1 43 GLU HA 1 49 ARG HA 3.000 . 3.500 2.379 1.780 3.618 0.118 14 0 "[ . 1 . 2]" 1
322 1 43 GLU HA 1 50 GLY H 4.000 . 5.000 3.704 2.869 4.935 . 0 0 "[ . 1 . 2]" 1
323 1 43 GLU HG2 1 44 LYS H 4.000 . 5.000 3.596 2.074 5.085 0.085 1 0 "[ . 1 . 2]" 1
324 1 43 GLU HG3 1 44 LYS H 4.000 . 5.000 3.593 2.629 5.008 0.008 10 0 "[ . 1 . 2]" 1
325 1 44 LYS H 1 44 LYS HG2 4.000 . 5.000 4.263 2.266 5.011 0.011 13 0 "[ . 1 . 2]" 1
326 1 44 LYS H 1 44 LYS HG3 4.000 . 5.000 4.231 2.345 4.970 . 0 0 "[ . 1 . 2]" 1
327 1 44 LYS H 1 47 GLY H 4.000 . 5.000 4.139 3.602 4.715 . 0 0 "[ . 1 . 2]" 1
328 1 44 LYS H 1 48 LEU H 4.000 . 5.000 4.252 3.460 4.891 . 0 0 "[ . 1 . 2]" 1
329 1 44 LYS H 1 49 ARG HA 4.000 . 5.000 3.453 2.870 4.388 . 0 0 "[ . 1 . 2]" 1
330 1 44 LYS HA 1 45 GLU H 3.000 . 3.500 2.387 2.242 2.623 . 0 0 "[ . 1 . 2]" 1
331 1 44 LYS HA 1 46 ASP H 4.000 . 5.000 4.150 3.824 4.766 . 0 0 "[ . 1 . 2]" 1
332 1 44 LYS QB 1 44 LYS QD 3.000 . 3.500 2.376 2.143 2.817 . 0 0 "[ . 1 . 2]" 1
333 1 44 LYS QB 1 44 LYS HE2 4.000 . 5.000 3.796 1.847 4.600 . 0 0 "[ . 1 . 2]" 1
334 1 44 LYS QB 1 44 LYS HE3 4.000 . 5.000 3.675 1.858 4.622 . 0 0 "[ . 1 . 2]" 1
335 1 44 LYS QB 1 46 ASP H 4.000 . 5.000 2.763 2.067 3.303 . 0 0 "[ . 1 . 2]" 1
336 1 44 LYS QB 1 47 GLY H 4.000 . 5.000 3.570 2.835 4.256 . 0 0 "[ . 1 . 2]" 1
337 1 44 LYS QB 1 48 LEU H 4.000 . 5.000 3.493 2.765 4.662 . 0 0 "[ . 1 . 2]" 1
338 1 44 LYS QB 1 48 LEU HB2 4.000 . 5.000 3.573 2.250 5.189 0.189 13 0 "[ . 1 . 2]" 1
339 1 44 LYS QE 1 46 ASP H 4.000 . 5.000 4.226 2.969 5.109 0.109 8 0 "[ . 1 . 2]" 1
340 1 44 LYS QG 1 45 GLU H 4.000 . 5.000 3.015 1.747 4.372 0.053 13 0 "[ . 1 . 2]" 1
341 1 45 GLU H 1 45 GLU QB 3.000 . 3.500 2.531 2.383 2.700 . 0 0 "[ . 1 . 2]" 1
342 1 45 GLU H 1 45 GLU HG2 4.000 . 5.000 2.749 1.952 3.931 . 0 0 "[ . 1 . 2]" 1
343 1 45 GLU H 1 45 GLU QG 3.000 . 3.500 2.212 1.847 3.062 . 0 0 "[ . 1 . 2]" 1
344 1 45 GLU H 1 45 GLU HG3 4.000 . 5.000 2.990 1.860 3.775 . 0 0 "[ . 1 . 2]" 1
345 1 45 GLU H 1 46 ASP H 4.000 . 5.000 2.777 2.510 3.702 . 0 0 "[ . 1 . 2]" 1
346 1 45 GLU HA 1 47 GLY H 4.000 . 5.000 3.651 3.124 4.490 . 0 0 "[ . 1 . 2]" 1
347 1 46 ASP H 1 46 ASP QB 3.000 . 3.500 2.378 2.173 2.718 . 0 0 "[ . 1 . 2]" 1
348 1 46 ASP H 1 47 GLY H 3.000 . 3.500 2.612 2.055 2.842 . 0 0 "[ . 1 . 2]" 1
349 1 46 ASP QB 1 48 LEU H 4.000 . 5.000 2.690 2.228 2.983 . 0 0 "[ . 1 . 2]" 1
350 1 47 GLY H 1 48 LEU H 3.000 . 3.500 2.518 2.355 2.670 . 0 0 "[ . 1 . 2]" 1
351 1 47 GLY H 1 48 LEU HB2 4.000 . 5.000 4.732 4.352 5.045 0.045 7 0 "[ . 1 . 2]" 1
352 1 48 LEU H 1 48 LEU HB2 3.000 . 3.500 2.468 2.349 2.583 . 0 0 "[ . 1 . 2]" 1
353 1 48 LEU H 1 48 LEU MD1 4.000 . 6.000 3.737 2.251 4.403 . 0 0 "[ . 1 . 2]" 1
354 1 48 LEU H 1 48 LEU QD 4.000 . 5.000 2.943 2.053 3.788 . 0 0 "[ . 1 . 2]" 1
355 1 48 LEU H 1 48 LEU MD2 4.000 . 6.000 3.233 2.069 4.367 . 0 0 "[ . 1 . 2]" 1
356 1 48 LEU H 1 48 LEU HG 4.000 . 5.000 3.383 2.308 4.684 . 0 0 "[ . 1 . 2]" 1
357 1 48 LEU HA 1 48 LEU QD 3.000 . 3.500 2.108 1.984 2.714 . 0 0 "[ . 1 . 2]" 1
358 1 48 LEU HA 1 49 ARG H 3.000 . 3.500 2.222 2.143 2.476 . 0 0 "[ . 1 . 2]" 1
359 1 48 LEU HB3 1 49 ARG H 4.000 . 5.000 3.218 2.084 4.203 . 0 0 "[ . 1 . 2]" 1
360 1 48 LEU QD 1 49 ARG H 4.000 . 5.000 3.323 2.103 4.313 . 0 0 "[ . 1 . 2]" 1
361 1 49 ARG H 1 49 ARG HG2 4.000 . 5.000 3.553 2.102 4.522 . 0 0 "[ . 1 . 2]" 1
362 1 49 ARG H 1 49 ARG QG 4.000 . 5.000 2.878 2.073 4.131 . 0 0 "[ . 1 . 2]" 1
363 1 49 ARG H 1 49 ARG HG3 4.000 . 5.000 3.352 2.395 4.878 . 0 0 "[ . 1 . 2]" 1
364 1 49 ARG HA 1 50 GLY H 3.000 . 3.500 2.316 2.162 2.570 . 0 0 "[ . 1 . 2]" 1
365 1 49 ARG QG 1 50 GLY H 4.000 . 6.000 3.668 2.175 4.713 . 0 0 "[ . 1 . 2]" 1
366 1 50 GLY QA 1 51 TRP H 3.000 . 3.500 2.220 2.131 2.290 . 0 0 "[ . 1 . 2]" 1
367 1 50 GLY QA 1 51 TRP HD1 4.000 . 5.000 3.781 2.831 5.014 0.014 6 0 "[ . 1 . 2]" 1
368 1 51 TRP H 1 51 TRP HD1 4.000 . 5.000 3.126 1.964 4.880 . 0 0 "[ . 1 . 2]" 1
369 1 51 TRP HA 1 52 PHE H 3.000 . 3.500 2.223 2.124 2.550 . 0 0 "[ . 1 . 2]" 1
370 1 51 TRP HE3 1 52 PHE H 4.000 . 5.000 4.037 2.647 4.938 . 0 0 "[ . 1 . 2]" 1
371 1 51 TRP HE3 1 52 PHE HA 4.000 . 5.000 4.197 2.897 5.223 0.223 9 0 "[ . 1 . 2]" 1
372 1 52 PHE H 1 52 PHE QD 4.000 . 5.000 3.497 2.754 4.097 . 0 0 "[ . 1 . 2]" 1
373 1 52 PHE HA 1 53 PRO QD 3.000 . 3.500 2.078 1.833 2.364 . 0 0 "[ . 1 . 2]" 1
374 1 52 PHE QB 1 53 PRO QD 4.000 . 5.000 2.756 1.992 3.831 . 0 0 "[ . 1 . 2]" 1
375 1 52 PHE QD 1 53 PRO QD 4.000 . 5.000 3.024 2.348 4.217 . 0 0 "[ . 1 . 2]" 1
376 1 53 PRO HA 1 54 ALA H 3.000 . 3.500 2.306 2.157 2.532 . 0 0 "[ . 1 . 2]" 1
377 1 53 PRO HA 1 54 ALA MB 4.000 . 5.000 4.090 3.992 4.262 . 0 0 "[ . 1 . 2]" 1
378 1 53 PRO QB 1 56 TYR H 4.000 . 5.000 3.474 2.512 4.525 . 0 0 "[ . 1 . 2]" 1
379 1 53 PRO QB 1 56 TYR QD 4.000 . 5.000 3.731 1.945 5.119 0.119 13 0 "[ . 1 . 2]" 1
380 1 53 PRO HB2 1 55 SER H 4.000 . 5.000 2.733 2.078 3.981 . 0 0 "[ . 1 . 2]" 1
381 1 53 PRO HB3 1 55 SER H 4.000 . 5.000 3.796 3.058 4.473 . 0 0 "[ . 1 . 2]" 1
382 1 53 PRO QD 1 56 TYR QB 4.000 . 5.000 3.376 2.240 4.400 . 0 0 "[ . 1 . 2]" 1
383 1 54 ALA H 1 54 ALA MB 3.000 . 3.500 2.245 2.221 2.292 . 0 0 "[ . 1 . 2]" 1
384 1 54 ALA HA 1 56 TYR H 4.000 . 5.000 3.881 3.526 4.278 . 0 0 "[ . 1 . 2]" 1
385 1 54 ALA HA 1 57 VAL MG2 4.000 . 5.000 2.388 1.923 3.460 . 0 0 "[ . 1 . 2]" 1
386 1 55 SER H 1 55 SER QB 3.000 . 3.500 2.440 2.224 2.626 . 0 0 "[ . 1 . 2]" 1
387 1 55 SER H 1 56 TYR H 4.000 . 5.000 2.702 2.476 2.901 . 0 0 "[ . 1 . 2]" 1
388 1 56 TYR H 1 56 TYR QB 3.000 . 3.500 2.391 2.239 2.541 . 0 0 "[ . 1 . 2]" 1
389 1 56 TYR H 1 56 TYR QD 4.000 . 5.000 3.200 2.115 4.415 . 0 0 "[ . 1 . 2]" 1
390 1 56 TYR H 1 57 VAL H 3.000 . 3.500 2.316 1.921 2.495 . 0 0 "[ . 1 . 2]" 1
391 1 56 TYR H 1 57 VAL MG1 4.000 . 5.000 4.197 3.828 4.580 . 0 0 "[ . 1 . 2]" 1
392 1 56 TYR HA 1 56 TYR QD 4.000 . 5.000 2.809 2.244 3.246 . 0 0 "[ . 1 . 2]" 1
393 1 56 TYR HA 1 56 TYR QE 4.000 . 5.000 4.599 4.420 4.841 . 0 0 "[ . 1 . 2]" 1
394 1 57 VAL H 1 57 VAL MG1 4.000 . 5.000 3.004 2.722 3.270 . 0 0 "[ . 1 . 2]" 1
395 1 57 VAL H 1 57 VAL MG2 3.000 . 3.500 2.200 2.000 2.376 . 0 0 "[ . 1 . 2]" 1
396 1 57 VAL HA 1 58 GLN H 3.000 . 3.500 2.360 2.154 2.768 . 0 0 "[ . 1 . 2]" 1
397 1 57 VAL HA 1 58 GLN QB 4.000 . 5.000 4.105 3.904 4.543 . 0 0 "[ . 1 . 2]" 1
398 1 57 VAL HB 1 58 GLN H 4.000 . 5.000 2.675 1.927 3.425 . 0 0 "[ . 1 . 2]" 1
399 1 57 VAL MG1 1 58 GLN H 4.000 . 5.000 3.766 3.493 3.979 . 0 0 "[ . 1 . 2]" 1
400 1 57 VAL MG2 1 58 GLN H 4.000 . 5.000 3.633 2.923 4.208 . 0 0 "[ . 1 . 2]" 1
401 1 57 VAL MG2 1 59 LEU H 4.000 . 5.000 4.468 3.833 5.096 0.096 10 0 "[ . 1 . 2]" 1
402 1 58 GLN H 1 58 GLN QG 4.000 . 5.000 3.921 2.536 4.410 . 0 0 "[ . 1 . 2]" 1
403 1 58 GLN HA 1 59 LEU H 3.000 . 3.500 2.178 2.121 2.236 . 0 0 "[ . 1 . 2]" 1
404 1 58 GLN QG 1 59 LEU H 4.000 . 5.000 3.302 2.738 4.440 . 0 0 "[ . 1 . 2]" 1
405 1 58 GLN HG2 1 59 LEU H 4.000 . 5.000 3.879 2.937 4.899 . 0 0 "[ . 1 . 2]" 1
406 1 58 GLN HG3 1 59 LEU H 4.000 . 5.000 3.785 2.817 5.149 0.149 3 0 "[ . 1 . 2]" 1
407 1 59 LEU H 1 59 LEU HB2 3.000 . 3.500 2.586 2.425 3.640 0.140 18 0 "[ . 1 . 2]" 1
408 1 59 LEU H 1 59 LEU MD1 4.000 . 5.000 3.600 1.894 3.929 . 0 0 "[ . 1 . 2]" 1
409 1 59 LEU H 1 59 LEU MD2 4.000 . 5.000 3.222 1.752 4.132 0.048 18 0 "[ . 1 . 2]" 1
410 1 59 LEU H 1 59 LEU HG 3.000 . 3.500 2.357 2.135 3.374 . 0 0 "[ . 1 . 2]" 1
411 1 59 LEU HA 1 59 LEU MD2 4.000 . 5.000 2.265 1.997 3.683 . 0 0 "[ . 1 . 2]" 1
412 1 59 LEU HA 1 60 LEU H 3.000 . 3.500 2.192 2.110 2.262 . 0 0 "[ . 1 . 2]" 1
413 1 59 LEU HB2 1 59 LEU MD2 3.000 . 3.500 3.226 2.669 3.278 . 0 0 "[ . 1 . 2]" 1
414 1 59 LEU HB2 1 60 LEU H 4.000 . 5.000 4.114 2.882 4.400 . 0 0 "[ . 1 . 2]" 1
415 1 59 LEU MD2 1 60 LEU H 4.000 . 5.000 3.846 3.373 4.987 . 0 0 "[ . 1 . 2]" 1
416 1 60 LEU H 1 60 LEU QB 3.000 . 3.500 2.484 2.333 3.260 . 0 0 "[ . 1 . 2]" 1
417 1 60 LEU H 1 60 LEU MD1 4.000 . 5.000 3.692 1.971 4.302 . 0 0 "[ . 1 . 2]" 1
418 1 60 LEU H 1 60 LEU MD2 4.000 . 5.000 3.482 1.999 4.146 . 0 0 "[ . 1 . 2]" 1
419 1 60 LEU H 1 60 LEU HG 3.000 . 3.500 2.738 2.328 3.559 0.059 10 0 "[ . 1 . 2]" 1
420 1 60 LEU HA 1 60 LEU MD2 3.000 . 3.500 2.316 2.005 3.704 0.204 10 0 "[ . 1 . 2]" 1
421 1 60 LEU QB 1 60 LEU MD1 3.000 . 3.500 2.171 2.147 2.318 . 0 0 "[ . 1 . 2]" 1
422 1 60 LEU QB 1 60 LEU MD2 3.000 . 3.500 2.372 2.120 2.460 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 15, 2024 11:28:06 PM GMT (wattos1)