NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563277 |
2m7a   |
19178 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m7a
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 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 35 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 CYS 0.000 0.000 . 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 35 CYS SG 1 92 CYS SG . . 3.950 3.821 3.803 3.836 . 0 0 "[ . 1 . 2]" 1
2 1 35 CYS SG 1 95 CYS SG . . 3.950 3.819 3.807 3.827 . 0 0 "[ . 1 . 2]" 1
3 1 92 CYS SG 1 95 CYS SG . . 3.950 3.827 3.824 3.830 . 0 0 "[ . 1 . 2]" 1
4 1 35 CYS SG 1 38 HIS NE2 . . 3.950 3.809 3.800 3.815 . 0 0 "[ . 1 . 2]" 1
5 1 38 HIS NE2 1 92 CYS SG . . 3.950 3.824 3.807 3.847 . 0 0 "[ . 1 . 2]" 1
6 1 38 HIS NE2 1 95 CYS SG . . 3.950 3.824 3.814 3.835 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 473
_Distance_constraint_stats_list.Viol_count 607
_Distance_constraint_stats_list.Viol_total 481.670
_Distance_constraint_stats_list.Viol_max 0.260
_Distance_constraint_stats_list.Viol_rms 0.0159
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0397
_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 19 GLU 0.009 0.008 20 0 "[ . 1 . 2]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.061 0.020 14 0 "[ . 1 . 2]"
1 23 MET 1.767 0.106 14 0 "[ . 1 . 2]"
1 24 GLN 0.010 0.010 4 0 "[ . 1 . 2]"
1 25 THR 0.049 0.041 4 0 "[ . 1 . 2]"
1 26 LEU 5.495 0.260 17 0 "[ . 1 . 2]"
1 27 MET 2.771 0.139 20 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 SER 1.011 0.114 12 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.494 0.087 15 0 "[ . 1 . 2]"
1 32 LEU 2.790 0.171 16 0 "[ . 1 . 2]"
1 33 ALA 1.222 0.077 19 0 "[ . 1 . 2]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 CYS 0.085 0.016 17 0 "[ . 1 . 2]"
1 36 ARG 0.028 0.014 14 0 "[ . 1 . 2]"
1 37 ILE 0.898 0.172 20 0 "[ . 1 . 2]"
1 38 HIS 0.038 0.020 7 0 "[ . 1 . 2]"
1 39 ASN 0.051 0.013 19 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 0.061 0.016 17 0 "[ . 1 . 2]"
1 42 ILE 1.338 0.104 16 0 "[ . 1 . 2]"
1 43 LEU 0.397 0.089 16 0 "[ . 1 . 2]"
1 44 ASP 0.150 0.042 8 0 "[ . 1 . 2]"
1 45 SER 0.027 0.010 12 0 "[ . 1 . 2]"
1 46 GLY 0.011 0.009 8 0 "[ . 1 . 2]"
1 47 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.137 0.034 8 0 "[ . 1 . 2]"
1 50 SER 0.017 0.008 1 0 "[ . 1 . 2]"
1 52 ALA 0.200 0.099 12 0 "[ . 1 . 2]"
1 53 TYR 2.046 0.163 19 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 1.884 0.156 12 0 "[ . 1 . 2]"
1 56 GLY 2.282 0.260 17 0 "[ . 1 . 2]"
1 57 THR 0.044 0.026 19 0 "[ . 1 . 2]"
1 58 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.090 0.023 6 0 "[ . 1 . 2]"
1 60 TYR 1.554 0.108 12 0 "[ . 1 . 2]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASN 0.012 0.005 2 0 "[ . 1 . 2]"
1 71 THR 0.018 0.005 2 0 "[ . 1 . 2]"
1 72 LEU 0.024 0.009 13 0 "[ . 1 . 2]"
1 73 THR 0.001 0.001 13 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.070 0.036 4 0 "[ . 1 . 2]"
1 76 ARG 0.027 0.013 6 0 "[ . 1 . 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 1.435 0.162 1 0 "[ . 1 . 2]"
1 79 ILE 3.052 0.139 20 0 "[ . 1 . 2]"
1 80 LYS 0.153 0.064 19 0 "[ . 1 . 2]"
1 81 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 TYR 1.952 0.137 18 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 TYR 0.108 0.030 14 0 "[ . 1 . 2]"
1 87 CYS 0.505 0.090 8 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ILE 0.238 0.066 17 0 "[ . 1 . 2]"
1 90 ASP 0.014 0.010 14 0 "[ . 1 . 2]"
1 91 ASP 0.161 0.066 17 0 "[ . 1 . 2]"
1 92 CYS 0.008 0.008 3 0 "[ . 1 . 2]"
1 93 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LYS 0.023 0.010 20 0 "[ . 1 . 2]"
1 98 TYR 0.704 0.166 20 0 "[ . 1 . 2]"
1 99 ILE 0.693 0.166 20 0 "[ . 1 . 2]"
1 100 ASP 4.743 0.238 3 0 "[ . 1 . 2]"
1 101 ASP 4.739 0.238 3 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 48 ASP H 1 48 ASP QB . . 3.200 2.372 2.054 2.714 . 0 0 "[ . 1 . 2]" 2
2 1 74 GLU H 1 75 ALA H . . 4.200 2.707 2.453 2.844 . 0 0 "[ . 1 . 2]" 2
3 1 50 SER H 1 53 TYR QD . . 5.000 4.115 3.392 4.747 . 0 0 "[ . 1 . 2]" 2
4 1 93 PRO HA 1 94 GLN H . . 4.400 3.431 3.358 3.507 . 0 0 "[ . 1 . 2]" 2
5 1 95 CYS H 1 96 SER H . . 4.200 2.530 2.368 2.670 . 0 0 "[ . 1 . 2]" 2
6 1 24 GLN HA 1 25 THR H . . 4.800 3.626 3.574 3.645 . 0 0 "[ . 1 . 2]" 2
7 1 99 ILE MG 1 100 ASP H . . 4.100 2.977 1.850 4.098 . 0 0 "[ . 1 . 2]" 2
8 1 54 LYS H 1 55 LEU H . . 4.300 2.685 2.542 2.785 . 0 0 "[ . 1 . 2]" 2
9 1 36 ARG H 1 36 ARG QD . . 4.900 3.808 1.910 4.403 . 0 0 "[ . 1 . 2]" 2
10 1 33 ALA H 1 42 ILE HA . . 5.000 4.617 3.572 5.034 0.034 20 0 "[ . 1 . 2]" 2
11 1 29 SER HA 1 30 GLY H . . 5.000 3.416 3.371 3.525 . 0 0 "[ . 1 . 2]" 2
12 1 59 LEU QB 1 60 TYR H . . 4.700 2.729 2.491 3.200 . 0 0 "[ . 1 . 2]" 2
13 1 35 CYS H 1 43 LEU MD1 . . 5.000 3.078 2.117 4.487 . 0 0 "[ . 1 . 2]" 2
14 1 43 LEU MD2 1 92 CYS H . . 4.400 3.014 1.903 4.372 . 0 0 "[ . 1 . 2]" 2
15 1 44 ASP QB 1 46 GLY H . . 5.000 4.304 3.130 5.009 0.009 8 0 "[ . 1 . 2]" 2
16 1 98 TYR H 1 98 TYR QD . . 4.800 3.673 2.278 4.376 . 0 0 "[ . 1 . 2]" 2
17 1 100 ASP H 1 101 ASP H . . 4.000 4.237 4.236 4.238 0.238 3 0 "[ . 1 . 2]" 2
18 1 52 ALA HA 1 53 TYR H . . 4.600 3.602 3.544 3.631 . 0 0 "[ . 1 . 2]" 2
19 1 55 LEU HA 1 56 GLY H . . 4.800 3.556 3.531 3.622 . 0 0 "[ . 1 . 2]" 2
20 1 36 ARG H 1 37 ILE H . . 3.500 2.663 2.601 2.734 . 0 0 "[ . 1 . 2]" 2
21 1 85 SER H 1 86 TYR H . . 4.100 2.532 2.366 2.749 . 0 0 "[ . 1 . 2]" 2
22 1 74 GLU QB 1 75 ALA H . . 3.800 2.583 2.432 2.932 . 0 0 "[ . 1 . 2]" 2
23 1 99 ILE HA 1 100 ASP H . . 3.200 2.309 2.188 2.479 . 0 0 "[ . 1 . 2]" 2
24 1 20 GLN QB 1 21 TRP H . . 4.100 2.924 2.465 3.549 . 0 0 "[ . 1 . 2]" 2
25 1 58 TYR QB 1 59 LEU H . . 4.700 2.375 2.167 2.738 . 0 0 "[ . 1 . 2]" 2
26 1 88 GLY QA 1 89 ILE H . . 4.400 2.957 2.857 2.989 . 0 0 "[ . 1 . 2]" 2
27 1 24 GLN H 1 24 GLN QB . . 3.700 2.251 2.060 2.565 . 0 0 "[ . 1 . 2]" 2
28 1 97 LYS QD 1 98 TYR H . . 4.800 4.338 2.789 4.810 0.010 20 0 "[ . 1 . 2]" 2
29 1 79 ILE HA 1 82 ALA H . . 4.900 3.242 2.928 3.413 . 0 0 "[ . 1 . 2]" 2
30 1 36 ARG QD 1 37 ILE H . . 4.900 4.434 2.378 4.900 . 12 0 "[ . 1 . 2]" 2
31 1 58 TYR H 1 59 LEU H . . 4.300 2.720 2.505 2.843 . 0 0 "[ . 1 . 2]" 2
32 1 89 ILE HA 1 90 ASP H . . 3.500 2.199 2.177 2.252 . 0 0 "[ . 1 . 2]" 2
33 1 91 ASP H 1 92 CYS H . . 5.000 4.287 4.118 4.466 . 0 0 "[ . 1 . 2]" 2
34 1 94 GLN QB 1 95 CYS H . . 4.100 2.705 2.443 3.546 . 0 0 "[ . 1 . 2]" 2
35 1 49 ALA H 1 50 SER H . . 4.200 2.476 2.399 2.573 . 0 0 "[ . 1 . 2]" 2
36 1 24 GLN QB 1 25 THR H . . 4.200 2.087 1.904 3.388 . 0 0 "[ . 1 . 2]" 2
37 1 76 ARG H 1 77 ASP H . . 4.300 2.709 2.583 2.816 . 0 0 "[ . 1 . 2]" 2
38 1 95 CYS QB 1 96 SER H . . 4.200 2.939 2.748 3.604 . 0 0 "[ . 1 . 2]" 2
39 1 94 GLN H 1 96 SER H . . 5.000 3.890 3.517 4.209 . 0 0 "[ . 1 . 2]" 2
40 1 49 ALA MB 1 52 ALA H . . 4.900 4.244 3.923 4.518 . 0 0 "[ . 1 . 2]" 2
41 1 30 GLY H 1 31 VAL H . . 4.400 2.233 2.161 2.302 . 0 0 "[ . 1 . 2]" 2
42 1 32 LEU HA 1 45 SER H . . 4.700 2.895 2.513 3.567 . 0 0 "[ . 1 . 2]" 2
43 1 39 ASN HA 1 39 ASN HD22 . . 5.000 4.270 3.434 5.001 0.001 13 0 "[ . 1 . 2]" 2
44 1 73 THR HA 1 77 ASP H . . 5.000 3.865 3.544 4.180 . 0 0 "[ . 1 . 2]" 2
45 1 52 ALA H 1 53 TYR H . . 4.000 2.655 2.498 2.802 . 0 0 "[ . 1 . 2]" 2
46 1 43 LEU QB 1 90 ASP H . . 5.000 4.590 3.893 5.010 0.010 14 0 "[ . 1 . 2]" 2
47 1 75 ALA H 1 77 ASP H . . 5.000 3.879 3.695 4.177 . 0 0 "[ . 1 . 2]" 2
48 1 79 ILE H 1 80 LYS H . . 4.400 2.497 2.390 2.677 . 0 0 "[ . 1 . 2]" 2
49 1 32 LEU MD1 1 83 TYR H . . 4.400 4.383 4.199 4.459 0.059 6 0 "[ . 1 . 2]" 2
50 1 72 LEU H 1 73 THR H . . 4.600 2.510 2.456 2.683 . 0 0 "[ . 1 . 2]" 2
51 1 94 GLN H 1 94 GLN QB . . 3.700 2.253 2.112 2.507 . 0 0 "[ . 1 . 2]" 2
52 1 35 CYS H 1 41 VAL HB . . 4.800 4.017 2.546 4.816 0.016 17 0 "[ . 1 . 2]" 2
53 1 25 THR H 1 26 LEU H . . 3.700 2.732 2.601 2.890 . 0 0 "[ . 1 . 2]" 2
54 1 28 GLY H 1 29 SER H . . 4.600 2.647 2.516 2.757 . 0 0 "[ . 1 . 2]" 2
55 1 35 CYS QB 1 36 ARG H . . 4.900 3.547 3.166 3.719 . 0 0 "[ . 1 . 2]" 2
56 1 24 GLN QB 1 24 GLN HE22 . . 4.100 3.511 3.106 4.096 . 0 0 "[ . 1 . 2]" 2
57 1 55 LEU H 1 55 LEU MD2 . . 4.000 3.714 1.991 4.044 0.044 19 0 "[ . 1 . 2]" 2
58 1 97 LYS H 1 97 LYS QB . . 3.600 2.199 2.108 2.331 . 0 0 "[ . 1 . 2]" 2
59 1 46 GLY H 1 47 ASN H . . 3.600 2.215 2.068 2.549 . 0 0 "[ . 1 . 2]" 2
60 1 79 ILE H 1 79 ILE MG . . 4.600 3.001 2.176 3.740 . 0 0 "[ . 1 . 2]" 2
61 1 90 ASP H 1 91 ASP H . . 3.700 2.047 1.882 2.446 . 0 0 "[ . 1 . 2]" 2
62 1 57 THR H 1 58 TYR H . . 4.400 2.651 2.561 2.831 . 0 0 "[ . 1 . 2]" 2
63 1 42 ILE H 1 42 ILE HB . . 4.000 3.324 2.483 3.538 . 0 0 "[ . 1 . 2]" 2
64 1 55 LEU QB 1 56 GLY H . . 4.800 2.979 2.523 3.648 . 0 0 "[ . 1 . 2]" 2
65 1 97 LYS H 1 98 TYR H . . 4.300 2.312 2.038 2.533 . 0 0 "[ . 1 . 2]" 2
66 1 98 TYR QD 1 99 ILE H . . 4.800 3.461 2.484 4.177 . 0 0 "[ . 1 . 2]" 2
67 1 49 ALA MB 1 50 SER H . . 4.400 3.073 2.856 3.196 . 0 0 "[ . 1 . 2]" 2
68 1 32 LEU HA 1 33 ALA H . . 3.600 2.636 2.630 2.644 . 0 0 "[ . 1 . 2]" 2
69 1 27 MET H 1 27 MET QG . . 3.800 2.938 1.829 3.880 0.080 7 0 "[ . 1 . 2]" 2
70 1 59 LEU H 1 59 LEU MD2 . . 4.300 4.111 3.678 4.301 0.001 16 0 "[ . 1 . 2]" 2
71 1 55 LEU H 1 56 GLY H . . 4.300 2.569 2.442 2.769 . 0 0 "[ . 1 . 2]" 2
72 1 97 LYS QB 1 98 TYR H . . 4.200 3.130 2.888 3.456 . 0 0 "[ . 1 . 2]" 2
73 1 81 ASP H 1 81 ASP QB . . 3.500 2.140 2.076 2.301 . 0 0 "[ . 1 . 2]" 2
74 1 29 SER H 1 30 GLY H . . 4.300 2.659 2.588 2.681 . 0 0 "[ . 1 . 2]" 2
75 1 95 CYS H 1 95 CYS QB . . 3.600 2.253 2.113 2.578 . 0 0 "[ . 1 . 2]" 2
76 1 37 ILE H 1 37 ILE HB . . 3.500 2.604 2.310 3.255 . 0 0 "[ . 1 . 2]" 2
77 1 39 ASN H 1 39 ASN HD21 . . 5.000 3.705 1.914 4.938 . 0 0 "[ . 1 . 2]" 2
78 1 71 THR H 1 71 THR MG . . 4.300 3.246 1.919 3.858 . 0 0 "[ . 1 . 2]" 2
79 1 41 VAL H 1 41 VAL HB . . 3.600 2.430 2.194 2.657 . 0 0 "[ . 1 . 2]" 2
80 1 74 GLU H 1 74 GLU QB . . 3.700 2.184 2.098 2.347 . 0 0 "[ . 1 . 2]" 2
81 1 52 ALA MB 1 53 TYR H . . 4.100 2.701 2.542 2.889 . 0 0 "[ . 1 . 2]" 2
82 1 75 ALA H 1 78 ALA MB . . 4.900 4.363 4.015 4.636 . 0 0 "[ . 1 . 2]" 2
83 1 42 ILE H 1 42 ILE MG . . 4.700 2.136 1.893 3.758 . 0 0 "[ . 1 . 2]" 2
84 1 74 GLU HA 1 75 ALA H . . 4.700 3.613 3.540 3.631 . 0 0 "[ . 1 . 2]" 2
85 1 21 TRP HA 1 22 ALA H . . 5.000 3.586 3.567 3.626 . 0 0 "[ . 1 . 2]" 2
86 1 55 LEU H 1 55 LEU QB . . 3.500 2.261 2.119 2.581 . 0 0 "[ . 1 . 2]" 2
87 1 81 ASP H 1 82 ALA H . . 4.000 2.534 2.414 2.637 . 0 0 "[ . 1 . 2]" 2
88 1 78 ALA HA 1 79 ILE H . . 5.000 3.624 3.595 3.635 . 0 0 "[ . 1 . 2]" 2
89 1 98 TYR QB 1 99 ILE H . . 4.400 3.342 2.146 4.019 . 0 0 "[ . 1 . 2]" 2
90 1 69 PHE HA 1 70 ASN H . . 4.200 3.133 2.194 3.644 . 0 0 "[ . 1 . 2]" 2
91 1 75 ALA H 1 76 ARG H . . 4.200 2.707 2.588 2.803 . 0 0 "[ . 1 . 2]" 2
92 1 49 ALA HA 1 53 TYR H . . 5.000 4.222 3.902 4.497 . 0 0 "[ . 1 . 2]" 2
93 1 24 GLN H 1 25 THR H . . 4.300 3.334 2.832 3.566 . 0 0 "[ . 1 . 2]" 2
94 1 53 TYR H 1 53 TYR QD . . 4.400 2.587 2.176 3.189 . 0 0 "[ . 1 . 2]" 2
95 1 23 MET HA 1 24 GLN H . . 4.900 3.497 3.422 3.581 . 0 0 "[ . 1 . 2]" 2
96 1 83 TYR H 1 83 TYR QD . . 4.800 2.016 1.904 2.780 . 0 0 "[ . 1 . 2]" 2
97 1 27 MET HA 1 28 GLY H . . 4.800 3.537 3.479 3.574 . 0 0 "[ . 1 . 2]" 2
98 1 31 VAL MG1 1 50 SER H . . 5.000 4.717 4.281 5.008 0.008 1 0 "[ . 1 . 2]" 2
99 1 76 ARG H 1 78 ALA H . . 5.000 4.004 3.862 4.172 . 0 0 "[ . 1 . 2]" 2
100 1 57 THR H 1 57 THR HB . . 4.200 2.803 2.055 3.501 . 0 0 "[ . 1 . 2]" 2
101 1 94 GLN H 1 95 CYS H . . 3.700 2.647 2.431 2.834 . 0 0 "[ . 1 . 2]" 2
102 1 77 ASP HA 1 80 LYS H . . 4.400 3.320 3.174 3.568 . 0 0 "[ . 1 . 2]" 2
103 1 33 ALA HA 1 34 ARG H . . 3.500 2.226 2.211 2.258 . 0 0 "[ . 1 . 2]" 2
104 1 52 ALA HA 1 56 GLY H . . 5.000 3.853 3.199 4.233 . 0 0 "[ . 1 . 2]" 2
105 1 99 ILE HB 1 100 ASP H . . 4.400 3.943 2.587 4.387 . 0 0 "[ . 1 . 2]" 2
106 1 53 TYR QE 1 80 LYS H . . 4.800 4.274 2.906 4.864 0.064 19 0 "[ . 1 . 2]" 2
107 1 72 LEU MD1 1 75 ALA H . . 5.000 3.546 3.077 4.171 . 0 0 "[ . 1 . 2]" 2
108 1 43 LEU HA 1 44 ASP H . . 4.000 2.305 2.231 2.459 . 0 0 "[ . 1 . 2]" 2
109 1 21 TRP HE3 1 22 ALA H . . 4.600 3.757 2.633 4.360 . 0 0 "[ . 1 . 2]" 2
110 1 30 GLY H 1 32 LEU H . . 5.000 3.629 3.527 3.910 . 0 0 "[ . 1 . 2]" 2
111 1 82 ALA H 1 83 TYR H . . 4.100 2.692 2.566 2.786 . 0 0 "[ . 1 . 2]" 2
112 1 23 MET H 1 24 GLN H . . 3.800 2.767 2.594 2.821 . 0 0 "[ . 1 . 2]" 2
113 1 91 ASP H 1 91 ASP QB . . 3.700 2.861 2.521 3.273 . 0 0 "[ . 1 . 2]" 2
114 1 38 HIS QB 1 40 ASP H . . 4.600 3.196 2.612 3.831 . 0 0 "[ . 1 . 2]" 2
115 1 42 ILE MD 1 43 LEU H . . 5.000 4.211 2.671 5.089 0.089 16 0 "[ . 1 . 2]" 2
116 1 26 LEU H 1 27 MET H . . 4.400 3.242 3.030 3.398 . 0 0 "[ . 1 . 2]" 2
117 1 73 THR MG 1 77 ASP H . . 5.000 4.188 3.684 4.717 . 0 0 "[ . 1 . 2]" 2
118 1 75 ALA MB 1 76 ARG H . . 4.100 2.499 2.334 2.676 . 0 0 "[ . 1 . 2]" 2
119 1 31 VAL HA 1 32 LEU H . . 4.800 3.617 3.616 3.620 . 0 0 "[ . 1 . 2]" 2
120 1 78 ALA H 1 79 ILE H . . 3.600 2.677 2.567 2.786 . 0 0 "[ . 1 . 2]" 2
121 1 26 LEU QB 1 27 MET H . . 5.000 2.283 1.921 2.738 . 0 0 "[ . 1 . 2]" 2
122 1 74 GLU HA 1 77 ASP H . . 4.300 3.449 3.317 3.573 . 0 0 "[ . 1 . 2]" 2
123 1 33 ALA H 1 43 LEU QB . . 4.000 3.244 2.816 3.748 . 0 0 "[ . 1 . 2]" 2
124 1 91 ASP HA 1 92 CYS H . . 3.600 2.347 2.274 2.406 . 0 0 "[ . 1 . 2]" 2
125 1 54 LYS HA 1 55 LEU H . . 4.200 3.623 3.608 3.628 . 0 0 "[ . 1 . 2]" 2
126 1 53 TYR QB 1 54 LYS H . . 4.300 2.438 2.280 2.796 . 0 0 "[ . 1 . 2]" 2
127 1 96 SER H 1 97 LYS H . . 4.600 2.397 2.267 2.634 . 0 0 "[ . 1 . 2]" 2
128 1 41 VAL HA 1 42 ILE H . . 3.600 2.303 2.182 2.384 . 0 0 "[ . 1 . 2]" 2
129 1 99 ILE H 1 99 ILE HB . . 3.700 2.659 2.106 3.656 . 0 0 "[ . 1 . 2]" 2
130 1 100 ASP H 1 100 ASP QB . . 3.600 2.389 2.161 2.907 . 0 0 "[ . 1 . 2]" 2
131 1 43 LEU MD1 1 92 CYS H . . 4.400 3.144 1.848 4.408 0.008 3 0 "[ . 1 . 2]" 2
132 1 79 ILE H 1 79 ILE HB . . 4.000 3.111 2.530 3.551 . 0 0 "[ . 1 . 2]" 2
133 1 40 ASP H 1 41 VAL H . . 3.700 2.430 1.989 2.672 . 0 0 "[ . 1 . 2]" 2
134 1 98 TYR H 1 99 ILE H . . 4.400 4.421 4.297 4.566 0.166 20 0 "[ . 1 . 2]" 2
135 1 39 ASN HA 1 39 ASN HD21 . . 4.300 3.409 2.154 4.275 . 0 0 "[ . 1 . 2]" 2
136 1 59 LEU HA 1 60 TYR H . . 4.800 3.590 3.510 3.625 . 0 0 "[ . 1 . 2]" 2
137 1 36 ARG QB 1 37 ILE H . . 4.600 3.457 2.942 3.918 . 0 0 "[ . 1 . 2]" 2
138 1 98 TYR HA 1 99 ILE H . . 3.400 2.389 2.188 2.663 . 0 0 "[ . 1 . 2]" 2
139 1 70 ASN H 1 71 THR H . . 4.600 4.565 4.475 4.605 0.005 2 0 "[ . 1 . 2]" 2
140 1 48 ASP HA 1 49 ALA H . . 3.500 2.273 2.253 2.319 . 0 0 "[ . 1 . 2]" 2
141 1 54 LYS H 1 54 LYS QB . . 3.500 2.147 2.038 2.370 . 0 0 "[ . 1 . 2]" 2
142 1 75 ALA HA 1 76 ARG H . . 4.900 3.630 3.616 3.634 . 0 0 "[ . 1 . 2]" 2
143 1 46 GLY QA 1 47 ASN H . . 4.300 2.901 2.820 2.988 . 0 0 "[ . 1 . 2]" 2
144 1 78 ALA H 1 78 ALA MB . . 3.200 2.008 1.941 2.110 . 0 0 "[ . 1 . 2]" 2
145 1 74 GLU H 1 75 ALA MB . . 5.000 4.248 4.018 4.386 . 0 0 "[ . 1 . 2]" 2
146 1 89 ILE HB 1 90 ASP H . . 4.700 4.113 3.526 4.532 . 0 0 "[ . 1 . 2]" 2
147 1 34 ARG HA 1 35 CYS H . . 3.800 2.356 2.225 2.435 . 0 0 "[ . 1 . 2]" 2
148 1 75 ALA MB 1 78 ALA H . . 5.000 4.311 4.218 4.422 . 0 0 "[ . 1 . 2]" 2
149 1 59 LEU MD2 1 60 TYR H . . 4.800 3.747 2.376 4.634 . 0 0 "[ . 1 . 2]" 2
150 1 19 GLU HA 1 20 GLN H . . 5.000 3.596 3.561 3.632 . 0 0 "[ . 1 . 2]" 2
151 1 31 VAL H 1 32 LEU H . . 4.100 2.531 2.527 2.537 . 0 0 "[ . 1 . 2]" 2
152 1 19 GLU H 1 20 GLN H . . 3.800 2.746 2.524 2.920 . 0 0 "[ . 1 . 2]" 2
153 1 50 SER H 1 52 ALA H . . 5.000 4.309 3.849 4.628 . 0 0 "[ . 1 . 2]" 2
154 1 60 TYR H 1 60 TYR QB . . 3.800 2.060 1.928 2.141 . 0 0 "[ . 1 . 2]" 2
155 1 43 LEU QB 1 44 ASP H . . 4.900 2.880 2.500 3.199 . 0 0 "[ . 1 . 2]" 2
156 1 27 MET HA 1 30 GLY H . . 4.700 4.208 3.764 4.355 . 0 0 "[ . 1 . 2]" 2
157 1 47 ASN QB 1 48 ASP H . . 4.200 2.498 2.108 3.248 . 0 0 "[ . 1 . 2]" 2
158 1 33 ALA H 1 43 LEU H . . 3.700 2.859 1.910 3.471 . 0 0 "[ . 1 . 2]" 2
159 1 84 GLU H 1 85 SER H . . 4.400 2.502 2.447 2.577 . 0 0 "[ . 1 . 2]" 2
160 1 49 ALA H 1 53 TYR QE . . 5.000 4.769 4.186 5.034 0.034 8 0 "[ . 1 . 2]" 2
161 1 31 VAL MG1 1 47 ASN H . . 4.800 3.902 3.259 4.698 . 0 0 "[ . 1 . 2]" 2
162 1 36 ARG H 1 36 ARG QB . . 3.600 2.316 2.106 2.490 . 0 0 "[ . 1 . 2]" 2
163 1 96 SER H 1 96 SER QB . . 3.800 2.226 2.091 2.471 . 0 0 "[ . 1 . 2]" 2
164 1 82 ALA MB 1 83 TYR H . . 4.200 2.550 2.382 2.860 . 0 0 "[ . 1 . 2]" 2
165 1 31 VAL MG2 1 53 TYR H . . 4.900 4.105 3.699 4.573 . 0 0 "[ . 1 . 2]" 2
166 1 73 THR H 1 73 THR MG . . 4.200 3.339 2.397 3.678 . 0 0 "[ . 1 . 2]" 2
167 1 72 LEU QB 1 73 THR H . . 4.600 3.045 2.635 3.311 . 0 0 "[ . 1 . 2]" 2
168 1 59 LEU H 1 59 LEU MD1 . . 4.700 3.862 3.073 4.277 . 0 0 "[ . 1 . 2]" 2
169 1 31 VAL MG1 1 49 ALA H . . 5.000 3.947 3.530 4.379 . 0 0 "[ . 1 . 2]" 2
170 1 96 SER QB 1 97 LYS H . . 4.600 3.077 2.748 3.773 . 0 0 "[ . 1 . 2]" 2
171 1 35 CYS H 1 36 ARG H . . 5.000 4.573 4.482 4.627 . 0 0 "[ . 1 . 2]" 2
172 1 72 LEU MD1 1 76 ARG H . . 4.900 2.654 2.193 3.051 . 0 0 "[ . 1 . 2]" 2
173 1 30 GLY QA 1 31 VAL H . . 5.000 2.974 2.930 2.989 . 0 0 "[ . 1 . 2]" 2
174 1 77 ASP H 1 78 ALA H . . 4.100 2.422 2.398 2.496 . 0 0 "[ . 1 . 2]" 2
175 1 60 TYR H 1 60 TYR QD . . 4.400 3.264 3.156 3.404 . 0 0 "[ . 1 . 2]" 2
176 1 71 THR HB 1 72 LEU H . . 4.200 3.894 2.983 4.204 0.004 1 0 "[ . 1 . 2]" 2
177 1 50 SER H 1 50 SER QB . . 3.600 2.285 2.121 2.719 . 0 0 "[ . 1 . 2]" 2
178 1 79 ILE MG 1 80 LYS H . . 5.000 3.954 3.544 4.250 . 0 0 "[ . 1 . 2]" 2
179 1 25 THR H 1 26 LEU QB . . 5.000 4.276 4.150 4.455 . 0 0 "[ . 1 . 2]" 2
180 1 57 THR H 1 72 LEU MD1 . . 4.800 4.245 3.358 4.804 0.004 20 0 "[ . 1 . 2]" 2
181 1 81 ASP HA 1 84 GLU H . . 4.700 3.541 3.204 3.759 . 0 0 "[ . 1 . 2]" 2
182 1 21 TRP H 1 22 ALA H . . 4.000 2.608 2.502 2.749 . 0 0 "[ . 1 . 2]" 2
183 1 35 CYS H 1 41 VAL MG1 . . 4.300 2.947 1.796 4.308 0.008 11 0 "[ . 1 . 2]" 2
184 1 99 ILE H 1 99 ILE QG . . 4.200 3.127 2.038 4.161 . 0 0 "[ . 1 . 2]" 2
185 1 32 LEU MD2 1 45 SER H . . 4.600 2.541 1.875 3.408 . 0 0 "[ . 1 . 2]" 2
186 1 77 ASP QB 1 78 ALA H . . 4.100 2.789 2.658 2.927 . 0 0 "[ . 1 . 2]" 2
187 1 22 ALA H 1 23 MET H . . 4.100 2.619 2.483 2.796 . 0 0 "[ . 1 . 2]" 2
188 1 32 LEU H 1 33 ALA H . . 5.000 4.486 4.453 4.508 . 0 0 "[ . 1 . 2]" 2
189 1 90 ASP QB 1 91 ASP H . . 4.400 3.394 2.321 3.890 . 0 0 "[ . 1 . 2]" 2
190 1 32 LEU H 1 32 LEU MD1 . . 3.800 3.847 3.787 3.971 0.171 16 0 "[ . 1 . 2]" 2
191 1 82 ALA H 1 82 ALA MB . . 3.500 2.068 1.949 2.167 . 0 0 "[ . 1 . 2]" 2
192 1 19 GLU QB 1 22 ALA H . . 4.900 4.699 4.528 4.848 . 0 0 "[ . 1 . 2]" 2
193 1 73 THR MG 1 74 GLU H . . 4.600 3.223 2.007 4.081 . 0 0 "[ . 1 . 2]" 2
194 1 26 LEU HA 1 27 MET H . . 4.600 3.636 3.620 3.640 . 0 0 "[ . 1 . 2]" 2
195 1 37 ILE H 1 37 ILE MD . . 4.100 3.585 1.957 4.272 0.172 20 0 "[ . 1 . 2]" 2
196 1 27 MET H 1 28 GLY H . . 4.300 2.547 2.493 2.749 . 0 0 "[ . 1 . 2]" 2
197 1 31 VAL MG1 1 32 LEU H . . 4.100 3.215 2.847 3.588 . 0 0 "[ . 1 . 2]" 2
198 1 31 VAL MG1 1 45 SER H . . 5.000 4.691 4.168 5.010 0.010 12 0 "[ . 1 . 2]" 2
199 1 99 ILE QG 1 100 ASP H . . 4.200 3.477 2.131 4.204 0.004 17 0 "[ . 1 . 2]" 2
200 1 25 THR H 1 25 THR MG . . 4.000 3.203 1.879 3.686 . 0 0 "[ . 1 . 2]" 2
201 1 58 TYR QD 1 59 LEU H . . 4.900 3.565 2.159 4.508 . 0 0 "[ . 1 . 2]" 2
202 1 44 ASP HA 1 45 SER H . . 3.700 2.271 2.252 2.310 . 0 0 "[ . 1 . 2]" 2
203 1 79 ILE MD 1 80 LYS H . . 4.900 3.924 3.500 4.485 . 0 0 "[ . 1 . 2]" 2
204 1 72 LEU H 1 72 LEU MD1 . . 4.600 4.202 4.098 4.288 . 0 0 "[ . 1 . 2]" 2
205 1 55 LEU MD1 1 56 GLY H . . 4.300 3.675 2.637 4.329 0.029 15 0 "[ . 1 . 2]" 2
206 1 83 TYR HA 1 87 CYS H . . 4.100 4.123 4.056 4.190 0.090 8 0 "[ . 1 . 2]" 2
207 1 49 ALA MB 1 53 TYR H . . 4.900 4.120 3.875 4.376 . 0 0 "[ . 1 . 2]" 2
208 1 38 HIS QB 1 41 VAL H . . 4.300 3.113 2.563 3.608 . 0 0 "[ . 1 . 2]" 2
209 1 42 ILE QG 1 43 LEU H . . 4.600 2.885 2.241 4.019 . 0 0 "[ . 1 . 2]" 2
210 1 89 ILE H 1 89 ILE HB . . 4.100 3.116 2.316 3.826 . 0 0 "[ . 1 . 2]" 2
211 1 73 THR H 1 74 GLU H . . 4.000 2.753 2.618 2.810 . 0 0 "[ . 1 . 2]" 2
212 1 24 GLN HA 1 27 MET H . . 4.800 4.575 4.043 4.810 0.010 4 0 "[ . 1 . 2]" 2
213 1 33 ALA H 1 42 ILE QG . . 4.600 4.145 3.155 4.625 0.025 18 0 "[ . 1 . 2]" 2
214 1 29 SER H 1 29 SER QB . . 3.600 2.242 2.061 2.518 . 0 0 "[ . 1 . 2]" 2
215 1 94 GLN HA 1 95 CYS H . . 4.000 3.594 3.498 3.630 . 0 0 "[ . 1 . 2]" 2
216 1 45 SER H 1 46 GLY H . . 4.600 2.219 2.021 2.654 . 0 0 "[ . 1 . 2]" 2
217 1 88 GLY H 1 89 ILE H . . 4.900 2.417 2.121 2.896 . 0 0 "[ . 1 . 2]" 2
218 1 56 GLY H 1 57 THR H . . 4.700 2.684 2.503 2.849 . 0 0 "[ . 1 . 2]" 2
219 1 40 ASP H 1 40 ASP QB . . 3.500 2.424 2.107 2.854 . 0 0 "[ . 1 . 2]" 2
220 1 97 LYS H 1 97 LYS QD . . 4.300 3.919 2.317 4.304 0.004 8 0 "[ . 1 . 2]" 2
221 1 72 LEU MD1 1 73 THR H . . 4.800 4.079 3.642 4.368 . 0 0 "[ . 1 . 2]" 2
222 1 87 CYS QB 1 88 GLY H . . 4.300 3.543 2.960 3.793 . 0 0 "[ . 1 . 2]" 2
223 1 42 ILE H 1 42 ILE MD . . 4.800 4.166 3.462 4.550 . 0 0 "[ . 1 . 2]" 2
224 1 33 ALA MB 1 34 ARG H . . 3.200 3.108 2.989 3.194 . 0 0 "[ . 1 . 2]" 2
225 1 56 GLY QA 1 57 THR H . . 4.700 2.709 2.639 2.829 . 0 0 "[ . 1 . 2]" 2
226 1 29 SER H 1 55 LEU MD1 . . 4.300 3.772 2.737 4.336 0.036 6 0 "[ . 1 . 2]" 2
227 1 31 VAL MG1 1 52 ALA H . . 4.100 3.014 1.944 3.750 . 0 0 "[ . 1 . 2]" 2
228 1 23 MET H 1 23 MET QG . . 4.000 2.773 1.926 3.947 . 0 0 "[ . 1 . 2]" 2
229 1 98 TYR H 1 98 TYR QB . . 3.700 2.182 1.946 2.553 . 0 0 "[ . 1 . 2]" 2
230 1 41 VAL H 1 42 ILE H . . 4.600 4.513 4.218 4.614 0.014 19 0 "[ . 1 . 2]" 2
231 1 33 ALA H 1 33 ALA MB . . 3.500 2.369 2.184 2.508 . 0 0 "[ . 1 . 2]" 2
232 1 91 ASP QB 1 92 CYS H . . 4.200 3.103 2.712 3.790 . 0 0 "[ . 1 . 2]" 2
233 1 80 LYS HA 1 83 TYR H . . 4.700 3.551 3.266 3.728 . 0 0 "[ . 1 . 2]" 2
234 1 21 TRP HE1 1 24 GLN HE21 . . 5.000 4.196 3.317 4.946 . 0 0 "[ . 1 . 2]" 2
235 1 72 LEU HA 1 73 THR H . . 4.900 3.529 3.475 3.606 . 0 0 "[ . 1 . 2]" 2
236 1 37 ILE H 1 37 ILE MG . . 4.200 3.072 1.827 3.803 . 0 0 "[ . 1 . 2]" 2
237 1 27 MET HA 1 29 SER H . . 4.200 3.458 3.343 3.643 . 0 0 "[ . 1 . 2]" 2
238 1 22 ALA MB 1 23 MET H . . 4.000 2.702 2.467 2.941 . 0 0 "[ . 1 . 2]" 2
239 1 76 ARG H 1 76 ARG QB . . 3.600 2.195 2.052 2.459 . 0 0 "[ . 1 . 2]" 2
240 1 30 GLY H 1 31 VAL HB . . 5.000 4.213 4.011 4.461 . 0 0 "[ . 1 . 2]" 2
241 1 42 ILE MG 1 43 LEU H . . 4.400 4.145 2.130 4.451 0.051 11 0 "[ . 1 . 2]" 2
242 1 69 PHE QD 1 70 ASN H . . 4.800 3.891 2.351 4.695 . 0 0 "[ . 1 . 2]" 2
243 1 48 ASP QB 1 49 ALA H . . 4.400 3.679 3.427 4.011 . 0 0 "[ . 1 . 2]" 2
244 1 48 ASP HA 1 50 SER H . . 4.900 3.340 3.216 3.515 . 0 0 "[ . 1 . 2]" 2
245 1 75 ALA H 1 78 ALA H . . 5.000 4.461 4.244 4.606 . 0 0 "[ . 1 . 2]" 2
246 1 40 ASP HA 1 41 VAL H . . 4.200 3.271 3.055 3.460 . 0 0 "[ . 1 . 2]" 2
247 1 82 ALA MB 1 84 GLU H . . 5.000 4.614 4.378 4.881 . 0 0 "[ . 1 . 2]" 2
248 1 27 MET QG 1 28 GLY H . . 4.100 2.670 2.145 4.069 . 0 0 "[ . 1 . 2]" 2
249 1 42 ILE HA 1 43 LEU H . . 4.300 2.203 2.177 2.264 . 0 0 "[ . 1 . 2]" 2
250 1 70 ASN QB 1 71 THR H . . 4.700 3.326 2.941 3.816 . 0 0 "[ . 1 . 2]" 2
251 1 39 ASN H 1 40 ASP H . . 3.800 2.185 2.083 2.497 . 0 0 "[ . 1 . 2]" 2
252 1 29 SER H 1 52 ALA MB . . 5.000 4.572 3.707 5.099 0.099 12 0 "[ . 1 . 2]" 2
253 1 34 ARG HA 1 43 LEU H . . 5.000 3.588 3.320 4.257 . 0 0 "[ . 1 . 2]" 2
254 1 44 ASP QB 1 88 GLY H . . 5.000 3.145 2.154 4.058 . 0 0 "[ . 1 . 2]" 2
255 1 43 LEU H 1 43 LEU MD1 . . 5.000 3.429 2.485 3.845 . 0 0 "[ . 1 . 2]" 2
256 1 36 ARG H 1 36 ARG QG . . 4.000 2.762 2.071 4.014 0.014 14 0 "[ . 1 . 2]" 2
257 1 44 ASP H 1 45 SER H . . 4.700 4.502 4.315 4.602 . 0 0 "[ . 1 . 2]" 2
258 1 83 TYR H 1 84 GLU H . . 4.800 2.750 2.568 2.897 . 0 0 "[ . 1 . 2]" 2
259 1 73 THR HA 1 76 ARG H . . 5.000 3.441 3.287 3.581 . 0 0 "[ . 1 . 2]" 2
260 1 83 TYR QD 1 84 GLU H . . 4.900 4.306 4.219 4.567 . 0 0 "[ . 1 . 2]" 2
261 1 83 TYR QB 1 84 GLU H . . 4.300 2.397 2.266 2.625 . 0 0 "[ . 1 . 2]" 2
262 1 56 GLY H 1 60 TYR QD . . 5.000 5.024 4.985 5.057 0.057 16 0 "[ . 1 . 2]" 2
263 1 53 TYR H 1 54 LYS H . . 4.200 2.704 2.469 2.880 . 0 0 "[ . 1 . 2]" 2
264 1 87 CYS H 1 89 ILE MD . . 5.000 4.574 3.684 5.003 0.003 20 0 "[ . 1 . 2]" 2
265 1 73 THR HA 1 74 GLU H . . 5.000 3.563 3.549 3.603 . 0 0 "[ . 1 . 2]" 2
266 1 81 ASP QB 1 82 ALA H . . 4.000 2.494 2.339 2.702 . 0 0 "[ . 1 . 2]" 2
267 1 58 TYR H 1 58 TYR QD . . 4.800 3.672 2.262 4.068 . 0 0 "[ . 1 . 2]" 2
268 1 60 TYR QB 1 61 GLN H . . 4.300 2.599 2.268 2.804 . 0 0 "[ . 1 . 2]" 2
269 1 49 ALA HA 1 50 SER H . . 4.400 3.466 3.415 3.549 . 0 0 "[ . 1 . 2]" 2
270 1 31 VAL H 1 31 VAL HB . . 4.100 2.245 2.077 2.468 . 0 0 "[ . 1 . 2]" 2
271 1 77 ASP H 1 77 ASP QB . . 3.500 2.164 2.060 2.281 . 0 0 "[ . 1 . 2]" 2
272 1 57 THR H 1 57 THR MG . . 4.600 2.713 1.923 3.678 . 0 0 "[ . 1 . 2]" 2
273 1 35 CYS HA 1 36 ARG H . . 3.400 2.272 2.228 2.288 . 0 0 "[ . 1 . 2]" 2
274 1 22 ALA MB 1 24 GLN H . . 4.800 4.244 4.147 4.440 . 0 0 "[ . 1 . 2]" 2
275 1 43 LEU MD2 1 91 ASP H . . 4.700 3.540 2.384 4.497 . 0 0 "[ . 1 . 2]" 2
276 1 41 VAL MG1 1 42 ILE H . . 4.000 2.639 1.937 3.550 . 0 0 "[ . 1 . 2]" 2
277 1 21 TRP QB 1 22 ALA H . . 4.300 2.797 2.531 2.979 . 0 0 "[ . 1 . 2]" 2
278 1 99 ILE H 1 99 ILE MG . . 4.300 2.937 1.926 3.929 . 0 0 "[ . 1 . 2]" 2
279 1 75 ALA HA 1 78 ALA H . . 4.400 3.151 3.038 3.343 . 0 0 "[ . 1 . 2]" 2
280 1 41 VAL H 1 41 VAL MG1 . . 4.300 3.154 2.269 3.819 . 0 0 "[ . 1 . 2]" 2
281 1 76 ARG QB 1 77 ASP H . . 3.800 2.958 2.526 3.563 . 0 0 "[ . 1 . 2]" 2
282 1 41 VAL MG2 1 42 ILE H . . 4.300 3.203 2.026 4.007 . 0 0 "[ . 1 . 2]" 2
283 1 71 THR MG 1 72 LEU H . . 4.400 3.245 2.268 4.095 . 0 0 "[ . 1 . 2]" 2
284 1 49 ALA HA 1 52 ALA H . . 4.100 3.094 2.872 3.262 . 0 0 "[ . 1 . 2]" 2
285 1 72 LEU HA 1 75 ALA H . . 4.800 3.174 2.903 3.373 . 0 0 "[ . 1 . 2]" 2
286 1 25 THR MG 1 26 LEU H . . 4.400 3.004 1.777 3.820 . 0 0 "[ . 1 . 2]" 2
287 1 72 LEU HA 1 76 ARG H . . 4.800 4.180 3.912 4.440 . 0 0 "[ . 1 . 2]" 2
288 1 71 THR HB 1 74 GLU H . . 5.000 3.226 2.426 4.872 . 0 0 "[ . 1 . 2]" 2
289 1 32 LEU MD1 1 33 ALA H . . 4.200 4.211 4.094 4.271 0.071 4 0 "[ . 1 . 2]" 2
290 1 27 MET ME 1 32 LEU MD2 . . 4.300 3.457 3.112 3.723 . 0 0 "[ . 1 . 2]" 2
291 1 37 ILE MG 1 38 HIS HD2 . . 5.000 3.661 1.976 5.020 0.020 7 0 "[ . 1 . 2]" 2
292 1 33 ALA MB 1 43 LEU MD1 . . 4.000 2.862 1.934 3.862 . 0 0 "[ . 1 . 2]" 2
293 1 31 VAL MG2 1 52 ALA H . . 4.200 2.017 1.724 2.415 . 0 0 "[ . 1 . 2]" 2
294 1 27 MET ME 1 32 LEU HA . . 5.000 4.277 3.994 4.490 . 0 0 "[ . 1 . 2]" 2
295 1 27 MET ME 1 33 ALA MB . . 5.000 4.956 4.757 5.077 0.077 19 0 "[ . 1 . 2]" 2
296 1 53 TYR HA 1 79 ILE MD . . 5.000 2.441 1.875 4.086 . 0 0 "[ . 1 . 2]" 2
297 1 41 VAL HA 1 42 ILE HB . . 4.900 4.708 4.247 4.902 0.002 14 0 "[ . 1 . 2]" 2
298 1 31 VAL HB 1 52 ALA MB . . 4.700 2.070 1.913 2.353 . 0 0 "[ . 1 . 2]" 2
299 1 37 ILE MG 1 38 HIS H . . 4.700 3.362 2.358 4.245 . 0 0 "[ . 1 . 2]" 2
300 1 37 ILE MG 1 38 HIS QB . . 5.000 3.936 3.259 4.522 . 0 0 "[ . 1 . 2]" 2
301 1 52 ALA HA 1 55 LEU MD1 . . 4.800 3.481 1.792 4.431 . 0 0 "[ . 1 . 2]" 2
302 1 72 LEU HA 1 75 ALA MB . . 4.400 2.815 2.286 3.292 . 0 0 "[ . 1 . 2]" 2
303 1 42 ILE MD 1 83 TYR QE . . 4.800 3.737 3.167 4.811 0.011 16 0 "[ . 1 . 2]" 2
304 1 78 ALA HA 1 81 ASP H . . 4.300 3.543 3.436 3.735 . 0 0 "[ . 1 . 2]" 2
305 1 25 THR HA 1 25 THR MG . . 3.600 2.624 2.092 3.243 . 0 0 "[ . 1 . 2]" 2
306 1 72 LEU QB 1 72 LEU MD2 . . 3.100 2.176 2.071 2.418 . 0 0 "[ . 1 . 2]" 2
307 1 72 LEU MD1 1 73 THR HA . . 4.200 3.794 3.322 4.201 0.001 13 0 "[ . 1 . 2]" 2
308 1 83 TYR HA 1 83 TYR QD . . 4.300 2.761 2.475 2.985 . 0 0 "[ . 1 . 2]" 2
309 1 90 ASP HA 1 91 ASP H . . 4.700 3.459 3.335 3.649 . 0 0 "[ . 1 . 2]" 2
310 1 75 ALA HA 1 78 ALA MB . . 4.000 2.271 1.952 2.617 . 0 0 "[ . 1 . 2]" 2
311 1 31 VAL MG1 1 49 ALA MB . . 4.000 2.839 2.272 3.279 . 0 0 "[ . 1 . 2]" 2
312 1 23 MET ME 1 86 TYR QD . . 4.600 4.103 3.617 4.606 0.006 16 0 "[ . 1 . 2]" 2
313 1 26 LEU MD1 1 79 ILE MD . . 3.600 2.107 1.701 3.030 . 0 0 "[ . 1 . 2]" 2
314 1 32 LEU MD1 1 83 TYR QE . . 4.200 2.005 1.772 2.558 . 0 0 "[ . 1 . 2]" 2
315 1 27 MET ME 1 42 ILE QG . . 3.500 2.045 1.742 2.410 . 0 0 "[ . 1 . 2]" 2
316 1 49 ALA MB 1 83 TYR QD . . 4.400 3.383 2.330 4.260 . 0 0 "[ . 1 . 2]" 2
317 1 57 THR MG 1 72 LEU MD1 . . 3.400 2.431 1.658 3.380 . 0 0 "[ . 1 . 2]" 2
318 1 41 VAL MG1 1 43 LEU MD2 . . 3.500 2.678 1.858 3.501 0.001 17 0 "[ . 1 . 2]" 2
319 1 42 ILE HB 1 42 ILE MD . . 3.600 2.540 2.163 3.188 . 0 0 "[ . 1 . 2]" 2
320 1 79 ILE MD 1 83 TYR QE . . 4.700 4.580 3.707 4.837 0.137 18 0 "[ . 1 . 2]" 2
321 1 79 ILE H 1 79 ILE MD . . 4.300 2.864 2.064 3.536 . 0 0 "[ . 1 . 2]" 2
322 1 42 ILE MG 1 86 TYR QD . . 5.000 2.441 2.193 2.930 . 0 0 "[ . 1 . 2]" 2
323 1 23 MET ME 1 79 ILE HA . . 3.800 3.777 3.575 3.855 0.055 14 0 "[ . 1 . 2]" 2
324 1 26 LEU MD1 1 59 LEU QB . . 4.700 4.186 3.412 4.723 0.023 6 0 "[ . 1 . 2]" 2
325 1 27 MET ME 1 43 LEU H . . 4.800 3.226 2.568 4.376 . 0 0 "[ . 1 . 2]" 2
326 1 39 ASN QB 1 40 ASP H . . 4.300 3.321 2.872 3.827 . 0 0 "[ . 1 . 2]" 2
327 1 53 TYR QD 1 76 ARG HA . . 5.000 3.753 2.030 5.013 0.013 6 0 "[ . 1 . 2]" 2
328 1 25 THR HA 1 26 LEU H . . 5.000 3.624 3.597 3.633 . 0 0 "[ . 1 . 2]" 2
329 1 59 LEU HA 1 59 LEU MD2 . . 3.800 3.250 1.974 3.806 0.006 14 0 "[ . 1 . 2]" 2
330 1 89 ILE HA 1 89 ILE MD . . 4.800 3.872 3.295 4.141 . 0 0 "[ . 1 . 2]" 2
331 1 27 MET QB 1 42 ILE MD . . 4.800 4.213 3.302 4.831 0.031 14 0 "[ . 1 . 2]" 2
332 1 27 MET ME 1 32 LEU QB . . 3.400 1.831 1.648 2.113 . 0 0 "[ . 1 . 2]" 2
333 1 27 MET ME 1 79 ILE MG . . 5.000 5.060 5.001 5.139 0.139 20 0 "[ . 1 . 2]" 2
334 1 22 ALA MB 1 59 LEU MD2 . . 3.500 2.875 1.717 3.520 0.020 14 0 "[ . 1 . 2]" 2
335 1 23 MET ME 1 86 TYR QE . . 4.000 3.911 3.133 4.030 0.030 14 0 "[ . 1 . 2]" 2
336 1 57 THR MG 1 60 TYR QD . . 4.900 4.095 3.163 4.926 0.026 19 0 "[ . 1 . 2]" 2
337 1 89 ILE MG 1 90 ASP H . . 4.400 3.570 2.323 4.351 . 0 0 "[ . 1 . 2]" 2
338 1 72 LEU HA 1 72 LEU MD1 . . 3.800 2.433 2.003 3.042 . 0 0 "[ . 1 . 2]" 2
339 1 23 MET ME 1 42 ILE MG . . 3.600 2.844 2.294 3.647 0.047 18 0 "[ . 1 . 2]" 2
340 1 42 ILE HA 1 42 ILE MD . . 4.600 3.751 3.291 3.956 . 0 0 "[ . 1 . 2]" 2
341 1 79 ILE MG 1 82 ALA MB . . 4.200 3.671 3.391 4.004 . 0 0 "[ . 1 . 2]" 2
342 1 26 LEU MD2 1 78 ALA MB . . 5.000 4.943 3.974 5.162 0.162 1 0 "[ . 1 . 2]" 2
343 1 26 LEU MD2 1 56 GLY QA . . 3.600 3.653 3.251 3.860 0.260 17 0 "[ . 1 . 2]" 2
344 1 57 THR MG 1 58 TYR H . . 4.800 3.407 1.908 4.267 . 0 0 "[ . 1 . 2]" 2
345 1 31 VAL MG1 1 83 TYR QD . . 4.400 4.360 3.932 4.487 0.087 15 0 "[ . 1 . 2]" 2
346 1 56 GLY QA 1 75 ALA MB . . 4.600 3.883 2.754 4.599 . 0 0 "[ . 1 . 2]" 2
347 1 79 ILE HB 1 80 LYS H . . 5.000 3.306 2.454 4.014 . 0 0 "[ . 1 . 2]" 2
348 1 50 SER HA 1 53 TYR QE . . 4.800 3.981 3.205 4.605 . 0 0 "[ . 1 . 2]" 2
349 1 44 ASP H 1 89 ILE MG . . 5.000 4.522 3.674 5.042 0.042 8 0 "[ . 1 . 2]" 2
350 1 73 THR HA 1 73 THR MG . . 3.700 2.672 2.263 3.225 . 0 0 "[ . 1 . 2]" 2
351 1 78 ALA MB 1 79 ILE MD . . 5.000 3.670 1.895 4.678 . 0 0 "[ . 1 . 2]" 2
352 1 19 GLU QB 1 22 ALA MB . . 4.300 3.984 3.572 4.308 0.008 20 0 "[ . 1 . 2]" 2
353 1 26 LEU MD1 1 78 ALA MB . . 4.900 4.229 3.770 4.987 0.087 20 0 "[ . 1 . 2]" 2
354 1 23 MET QB 1 26 LEU MD2 . . 5.000 3.754 2.989 4.333 . 0 0 "[ . 1 . 2]" 2
355 1 31 VAL MG1 1 83 TYR QE . . 4.200 2.474 2.024 2.750 . 0 0 "[ . 1 . 2]" 2
356 1 33 ALA MB 1 43 LEU MD2 . . 5.000 4.135 2.543 4.943 . 0 0 "[ . 1 . 2]" 2
357 1 27 MET ME 1 42 ILE MD . . 3.600 2.578 1.923 3.293 . 0 0 "[ . 1 . 2]" 2
358 1 25 THR MG 1 26 LEU HA . . 4.300 3.603 2.990 4.341 0.041 4 0 "[ . 1 . 2]" 2
359 1 37 ILE MD 1 38 HIS HE1 . . 5.000 3.782 1.873 5.009 0.009 3 0 "[ . 1 . 2]" 2
360 1 50 SER HA 1 52 ALA H . . 4.900 4.476 4.075 4.798 . 0 0 "[ . 1 . 2]" 2
361 1 23 MET ME 1 42 ILE QG . . 3.500 3.216 2.054 3.587 0.087 14 0 "[ . 1 . 2]" 2
362 1 49 ALA HA 1 52 ALA MB . . 4.100 2.600 2.001 3.002 . 0 0 "[ . 1 . 2]" 2
363 1 31 VAL MG1 1 52 ALA MB . . 3.600 1.844 1.644 2.271 . 0 0 "[ . 1 . 2]" 2
364 1 42 ILE H 1 42 ILE QG . . 5.000 3.770 2.866 4.218 . 0 0 "[ . 1 . 2]" 2
365 1 31 VAL MG1 1 49 ALA HA . . 3.600 1.954 1.771 2.190 . 0 0 "[ . 1 . 2]" 2
366 1 31 VAL MG2 1 52 ALA MB . . 4.000 1.941 1.699 2.445 . 0 0 "[ . 1 . 2]" 2
367 1 21 TRP HE3 1 22 ALA MB . . 4.400 3.867 2.941 4.400 . 0 0 "[ . 1 . 2]" 2
368 1 43 LEU MD1 1 91 ASP H . . 5.000 4.656 4.118 5.020 0.020 13 0 "[ . 1 . 2]" 2
369 1 42 ILE MG 1 86 TYR QE . . 5.000 2.472 1.889 4.345 . 0 0 "[ . 1 . 2]" 2
370 1 31 VAL MG2 1 32 LEU H . . 4.900 3.989 3.752 4.148 . 0 0 "[ . 1 . 2]" 2
371 1 32 LEU MD1 1 42 ILE HB . . 3.500 3.487 3.284 3.602 0.102 18 0 "[ . 1 . 2]" 2
372 1 49 ALA MB 1 53 TYR QD . . 4.400 3.247 2.680 3.705 . 0 0 "[ . 1 . 2]" 2
373 1 79 ILE HA 1 82 ALA MB . . 4.800 2.574 2.066 2.944 . 0 0 "[ . 1 . 2]" 2
374 1 23 MET ME 1 27 MET QB . . 3.600 3.395 2.606 3.706 0.106 14 0 "[ . 1 . 2]" 2
375 1 35 CYS H 1 39 ASN HA . . 4.700 4.394 3.329 4.713 0.013 19 0 "[ . 1 . 2]" 2
376 1 60 TYR QD 1 78 ALA MB . . 4.800 4.783 4.298 4.897 0.097 15 0 "[ . 1 . 2]" 2
377 1 72 LEU MD2 1 73 THR H . . 5.000 4.745 4.379 4.976 . 0 0 "[ . 1 . 2]" 2
378 1 34 ARG HA 1 42 ILE HA . . 5.000 3.665 3.303 3.925 . 0 0 "[ . 1 . 2]" 2
379 1 53 TYR HA 1 53 TYR QD . . 4.300 2.285 2.011 2.836 . 0 0 "[ . 1 . 2]" 2
380 1 32 LEU MD1 1 42 ILE MD . . 4.200 2.069 1.737 2.617 . 0 0 "[ . 1 . 2]" 2
381 1 57 THR MG 1 75 ALA MB . . 5.000 3.580 2.188 4.760 . 0 0 "[ . 1 . 2]" 2
382 1 32 LEU HA 1 32 LEU MD1 . . 4.600 3.845 3.788 3.887 . 0 0 "[ . 1 . 2]" 2
383 1 37 ILE MD 1 37 ILE MG . . 3.100 2.233 1.807 3.107 0.007 4 0 "[ . 1 . 2]" 2
384 1 41 VAL MG2 1 86 TYR QE . . 4.800 3.856 2.167 4.802 0.002 12 0 "[ . 1 . 2]" 2
385 1 42 ILE MD 1 86 TYR QE . . 4.800 3.364 1.767 4.340 . 0 0 "[ . 1 . 2]" 2
386 1 37 ILE HA 1 37 ILE MG . . 3.600 2.705 2.111 3.203 . 0 0 "[ . 1 . 2]" 2
387 1 52 ALA MB 1 79 ILE MG . . 3.700 2.998 2.245 3.725 0.025 6 0 "[ . 1 . 2]" 2
388 1 60 TYR QB 1 75 ALA MB . . 5.000 2.865 2.410 3.635 . 0 0 "[ . 1 . 2]" 2
389 1 36 ARG HA 1 36 ARG QD . . 5.000 3.367 1.918 4.639 . 0 0 "[ . 1 . 2]" 2
390 1 49 ALA MB 1 52 ALA MB . . 4.900 3.276 2.840 3.710 . 0 0 "[ . 1 . 2]" 2
391 1 35 CYS HA 1 43 LEU MD1 . . 4.900 3.807 2.825 4.907 0.007 18 0 "[ . 1 . 2]" 2
392 1 32 LEU MD1 1 42 ILE QG . . 3.100 2.025 1.708 3.204 0.104 16 0 "[ . 1 . 2]" 2
393 1 71 THR MG 1 74 GLU H . . 4.800 3.539 2.100 4.724 . 0 0 "[ . 1 . 2]" 2
394 1 29 SER HA 1 55 LEU QB . . 5.000 5.039 4.980 5.114 0.114 12 0 "[ . 1 . 2]" 2
395 1 26 LEU MD1 1 27 MET H . . 5.000 4.331 4.048 4.891 . 0 0 "[ . 1 . 2]" 2
396 1 27 MET ME 1 42 ILE MG . . 4.100 3.280 1.948 3.829 . 0 0 "[ . 1 . 2]" 2
397 1 60 TYR QD 1 75 ALA MB . . 3.800 2.131 1.820 2.587 . 0 0 "[ . 1 . 2]" 2
398 1 41 VAL MG1 1 43 LEU MD1 . . 4.100 2.672 1.635 3.521 . 0 0 "[ . 1 . 2]" 2
399 1 27 MET ME 1 33 ALA HA . . 4.900 4.899 4.408 4.950 0.050 3 0 "[ . 1 . 2]" 2
400 1 80 LYS HA 1 84 GLU H . . 4.600 3.704 3.352 4.139 . 0 0 "[ . 1 . 2]" 2
401 1 23 MET ME 1 42 ILE MD . . 3.400 2.231 1.688 3.405 0.005 9 0 "[ . 1 . 2]" 2
402 1 27 MET H 1 27 MET ME . . 4.700 4.437 3.945 4.696 . 0 0 "[ . 1 . 2]" 2
403 1 35 CYS QB 1 43 LEU MD1 . . 4.800 3.017 2.085 4.009 . 0 0 "[ . 1 . 2]" 2
404 1 25 THR HB 1 26 LEU H . . 4.800 2.833 2.162 4.070 . 0 0 "[ . 1 . 2]" 2
405 1 26 LEU H 1 26 LEU MD1 . . 4.700 4.049 3.420 4.339 . 0 0 "[ . 1 . 2]" 2
406 1 43 LEU MD2 1 91 ASP QB . . 4.700 4.341 3.557 4.720 0.020 16 0 "[ . 1 . 2]" 2
407 1 26 LEU MD2 1 32 LEU MD1 . . 3.700 3.241 2.525 3.745 0.045 4 0 "[ . 1 . 2]" 2
408 1 79 ILE HA 1 81 ASP H . . 5.000 4.065 3.900 4.477 . 0 0 "[ . 1 . 2]" 2
409 1 42 ILE HB 1 86 TYR QE . . 5.000 4.555 3.051 4.982 . 0 0 "[ . 1 . 2]" 2
410 1 26 LEU MD1 1 53 TYR QB . . 5.000 4.966 3.764 5.163 0.163 19 0 "[ . 1 . 2]" 2
411 1 60 TYR QE 1 79 ILE MG . . 4.400 3.653 2.504 4.508 0.108 12 0 "[ . 1 . 2]" 2
412 1 26 LEU MD1 1 56 GLY QA . . 4.400 1.676 1.625 1.818 . 0 0 "[ . 1 . 2]" 2
413 1 26 LEU MD2 1 55 LEU MD1 . . 4.300 4.287 3.540 4.456 0.156 12 0 "[ . 1 . 2]" 2
414 1 23 MET H 1 23 MET ME . . 4.600 4.605 4.385 4.648 0.048 9 0 "[ . 1 . 2]" 2
415 1 42 ILE MG 1 86 TYR QB . . 5.000 3.015 1.851 3.658 . 0 0 "[ . 1 . 2]" 2
416 1 56 GLY H 1 79 ILE MD . . 4.800 4.284 2.996 4.846 0.046 14 0 "[ . 1 . 2]" 2
417 1 71 THR MG 1 73 THR H . . 4.800 2.993 2.071 4.491 . 0 0 "[ . 1 . 2]" 2
418 1 73 THR MG 1 74 GLU HA . . 5.000 3.541 2.995 4.286 . 0 0 "[ . 1 . 2]" 2
419 1 41 VAL MG1 1 42 ILE MG . . 5.000 3.983 3.261 4.869 . 0 0 "[ . 1 . 2]" 2
420 1 86 TYR QE 1 89 ILE MD . . 5.000 4.240 3.521 5.005 0.005 16 0 "[ . 1 . 2]" 2
421 1 50 SER HA 1 53 TYR QD . . 4.200 2.275 1.981 3.324 . 0 0 "[ . 1 . 2]" 2
422 1 25 THR MG 1 59 LEU MD1 . . 4.400 2.969 1.834 4.408 0.008 15 0 "[ . 1 . 2]" 2
423 1 36 ARG HA 1 37 ILE H . . 5.000 3.446 3.322 3.537 . 0 0 "[ . 1 . 2]" 2
424 1 72 LEU MD2 1 76 ARG H . . 5.000 4.729 3.929 5.009 0.009 13 0 "[ . 1 . 2]" 2
425 1 49 ALA MB 1 83 TYR QE . . 4.000 2.390 1.802 3.440 . 0 0 "[ . 1 . 2]" 2
426 1 60 TYR QE 1 75 ALA MB . . 3.800 2.691 2.040 3.523 . 0 0 "[ . 1 . 2]" 2
427 1 42 ILE MD 1 42 ILE MG . . 3.400 1.928 1.764 2.388 . 0 0 "[ . 1 . 2]" 2
428 1 75 ALA MB 1 78 ALA MB . . 5.000 3.627 3.371 3.891 . 0 0 "[ . 1 . 2]" 2
429 1 27 MET ME 1 42 ILE HA . . 5.000 2.371 1.968 3.758 . 0 0 "[ . 1 . 2]" 2
430 1 52 ALA HA 1 55 LEU QB . . 4.900 2.941 2.589 4.077 . 0 0 "[ . 1 . 2]" 2
431 1 36 ARG QB 1 36 ARG QD . . 3.400 2.430 2.096 2.977 . 0 0 "[ . 1 . 2]" 2
432 1 31 VAL H 1 31 VAL MG2 . . 4.000 2.521 2.050 2.877 . 0 0 "[ . 1 . 2]" 2
433 1 27 MET QG 1 32 LEU MD1 . . 3.600 3.579 3.089 3.662 0.062 8 0 "[ . 1 . 2]" 2
434 1 45 SER HA 1 46 GLY H . . 5.000 3.595 3.522 3.640 . 0 0 "[ . 1 . 2]" 2
435 1 93 PRO HA 1 93 PRO QD . . 4.100 3.453 3.452 3.453 . 0 0 "[ . 1 . 2]" 2
436 1 85 SER HA 1 86 TYR H . . 5.000 3.599 3.516 3.626 . 0 0 "[ . 1 . 2]" 2
437 1 23 MET QG 1 79 ILE MG . . 4.200 3.636 2.367 4.248 0.048 10 0 "[ . 1 . 2]" 2
438 1 32 LEU MD1 1 42 ILE MG . . 4.300 3.759 1.729 4.218 . 0 0 "[ . 1 . 2]" 2
439 1 79 ILE MG 1 83 TYR QD . . 4.600 3.548 2.594 4.469 . 0 0 "[ . 1 . 2]" 2
440 1 41 VAL MG1 1 42 ILE HA . . 4.800 3.483 3.267 3.768 . 0 0 "[ . 1 . 2]" 2
441 1 35 CYS HA 1 37 ILE H . . 4.900 3.691 3.459 3.844 . 0 0 "[ . 1 . 2]" 2
442 1 56 GLY QA 1 79 ILE MD . . 4.100 3.091 1.885 4.124 0.024 6 0 "[ . 1 . 2]" 2
443 1 37 ILE HB 1 37 ILE MD . . 3.100 2.455 2.020 3.163 0.063 14 0 "[ . 1 . 2]" 2
444 1 26 LEU H 1 26 LEU MD2 . . 4.400 4.098 3.667 4.361 . 0 0 "[ . 1 . 2]" 2
445 1 27 MET QB 1 27 MET ME . . 3.800 1.973 1.786 2.276 . 0 0 "[ . 1 . 2]" 2
446 1 41 VAL MG1 1 41 VAL MG2 . . 3.100 2.081 1.988 2.113 . 0 0 "[ . 1 . 2]" 2
447 1 56 GLY QA 1 79 ILE MG . . 4.400 3.933 3.376 4.484 0.084 18 0 "[ . 1 . 2]" 2
448 1 60 TYR QE 1 79 ILE MD . . 4.700 2.749 1.825 4.062 . 0 0 "[ . 1 . 2]" 2
449 1 81 ASP HA 1 82 ALA H . . 4.600 3.630 3.579 3.643 . 0 0 "[ . 1 . 2]" 2
450 1 35 CYS QB 1 41 VAL MG1 . . 5.000 2.916 1.785 3.893 . 0 0 "[ . 1 . 2]" 2
451 1 31 VAL MG2 1 49 ALA HA . . 3.800 2.743 1.931 3.833 0.033 12 0 "[ . 1 . 2]" 2
452 1 23 MET H 1 26 LEU MD2 . . 4.800 4.823 4.736 4.891 0.091 11 0 "[ . 1 . 2]" 2
453 1 49 ALA MB 1 53 TYR QE . . 4.000 2.203 1.902 2.470 . 0 0 "[ . 1 . 2]" 2
454 1 86 TYR HA 1 89 ILE MD . . 5.000 2.405 1.980 2.766 . 0 0 "[ . 1 . 2]" 2
455 1 42 ILE MD 1 82 ALA HA . . 4.600 3.868 3.383 4.588 . 0 0 "[ . 1 . 2]" 2
456 1 31 VAL MG1 1 47 ASN QB . . 5.000 3.246 2.466 4.588 . 0 0 "[ . 1 . 2]" 2
457 1 27 MET ME 1 83 TYR QE . . 5.000 4.106 3.249 4.886 . 0 0 "[ . 1 . 2]" 2
458 1 86 TYR QB 1 89 ILE MD . . 5.000 2.742 1.814 3.598 . 0 0 "[ . 1 . 2]" 2
459 1 31 VAL HB 1 32 LEU H . . 5.000 2.653 2.561 2.799 . 0 0 "[ . 1 . 2]" 2
460 1 23 MET QG 1 26 LEU MD2 . . 4.300 2.806 1.851 4.025 . 0 0 "[ . 1 . 2]" 2
461 1 86 TYR QD 1 89 ILE MD . . 4.300 2.451 1.811 3.324 . 0 0 "[ . 1 . 2]" 2
462 1 39 ASN HA 1 40 ASP H . . 5.000 3.434 3.375 3.547 . 0 0 "[ . 1 . 2]" 2
463 1 26 LEU MD2 1 53 TYR H . . 5.000 5.009 4.646 5.091 0.091 11 0 "[ . 1 . 2]" 2
464 1 32 LEU MD2 1 33 ALA H . . 4.900 2.934 2.479 3.376 . 0 0 "[ . 1 . 2]" 2
465 1 79 ILE MD 1 79 ILE MG . . 3.600 2.016 1.691 2.391 . 0 0 "[ . 1 . 2]" 2
466 1 37 ILE HA 1 37 ILE MD . . 4.100 3.480 2.393 3.965 . 0 0 "[ . 1 . 2]" 2
467 1 25 THR HB 1 59 LEU MD2 . . 4.700 3.587 2.246 4.685 . 0 0 "[ . 1 . 2]" 2
468 1 23 MET ME 1 79 ILE MG . . 4.400 3.692 3.225 3.992 . 0 0 "[ . 1 . 2]" 2
469 1 89 ILE MG 1 91 ASP H . . 4.700 3.616 2.018 4.766 0.066 17 0 "[ . 1 . 2]" 2
470 1 53 TYR QE 1 79 ILE HB . . 5.000 3.289 1.992 4.644 . 0 0 "[ . 1 . 2]" 2
471 1 75 ALA MB 1 79 ILE MD . . 3.700 3.178 2.700 3.736 0.036 4 0 "[ . 1 . 2]" 2
472 1 27 MET ME 1 32 LEU MD1 . . 4.600 1.771 1.667 2.033 . 0 0 "[ . 1 . 2]" 2
473 1 23 MET ME 1 32 LEU MD1 . . 4.200 2.906 2.425 3.291 . 0 0 "[ . 1 . 2]" 2
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