NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
446467 |
2kmp   |
16438 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kmp
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 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 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 6 CYS SG 1 25 CYS SG . . 2.100 2.041 2.038 2.043 . 0 0 "[ . 1 . 2]" 1
2 1 6 CYS SG 1 25 CYS CB . . 3.100 3.040 3.018 3.066 . 0 0 "[ . 1 . 2]" 1
3 1 6 CYS CB 1 25 CYS SG . . 3.100 3.036 3.011 3.058 . 0 0 "[ . 1 . 2]" 1
4 1 14 CYS SG 1 40 CYS SG . . 2.100 2.031 2.026 2.034 . 0 0 "[ . 1 . 2]" 1
5 1 14 CYS SG 1 40 CYS CB . . 3.100 2.933 2.902 2.955 . 0 0 "[ . 1 . 2]" 1
6 1 14 CYS CB 1 40 CYS SG . . 3.100 2.958 2.930 2.982 . 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 665
_Distance_constraint_stats_list.Viol_count 1275
_Distance_constraint_stats_list.Viol_total 2008.146
_Distance_constraint_stats_list.Viol_max 0.420
_Distance_constraint_stats_list.Viol_rms 0.0316
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0788
_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 1 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.262 0.067 17 0 "[ . 1 . 2]"
1 3 VAL 2.208 0.145 2 0 "[ . 1 . 2]"
1 4 CYS 0.767 0.145 2 0 "[ . 1 . 2]"
1 5 ALA 0.498 0.081 17 0 "[ . 1 . 2]"
1 6 CYS 5.491 0.173 17 0 "[ . 1 . 2]"
1 7 PRO 2.848 0.090 12 0 "[ . 1 . 2]"
1 8 LYS 3.632 0.169 16 0 "[ . 1 . 2]"
1 9 ILE 6.484 0.315 18 0 "[ . 1 . 2]"
1 10 LEU 4.982 0.281 17 0 "[ . 1 . 2]"
1 11 LYS 3.002 0.150 2 0 "[ . 1 . 2]"
1 12 PRO 3.126 0.262 4 0 "[ . 1 . 2]"
1 13 VAL 2.398 0.210 18 0 "[ . 1 . 2]"
1 14 CYS 3.886 0.214 12 0 "[ . 1 . 2]"
1 15 GLY 2.264 0.119 7 0 "[ . 1 . 2]"
1 16 SER 0.936 0.084 13 0 "[ . 1 . 2]"
1 17 ASP 0.000 0.000 20 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ARG 1.209 0.149 13 0 "[ . 1 . 2]"
1 20 THR 1.836 0.149 13 0 "[ . 1 . 2]"
1 21 TYR 6.884 0.231 20 0 "[ . 1 . 2]"
1 22 ALA 6.122 0.281 17 0 "[ . 1 . 2]"
1 23 ASN 9.089 0.275 8 0 "[ . 1 . 2]"
1 24 SER 6.215 0.275 8 0 "[ . 1 . 2]"
1 25 CYS 4.614 0.230 5 0 "[ . 1 . 2]"
1 26 ILE 20.229 0.322 1 0 "[ . 1 . 2]"
1 27 ALA 3.915 0.322 1 0 "[ . 1 . 2]"
1 28 ARG 6.981 0.238 17 0 "[ . 1 . 2]"
1 29 CYS 2.697 0.090 3 0 "[ . 1 . 2]"
1 30 ASN 4.141 0.192 18 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 3.833 0.220 18 0 "[ . 1 . 2]"
1 33 SER 6.336 0.205 5 0 "[ . 1 . 2]"
1 34 ILE 10.101 0.420 7 0 "[ . 1 . 2]"
1 35 LYS 2.432 0.141 19 0 "[ . 1 . 2]"
1 36 SER 3.059 0.193 2 0 "[ . 1 . 2]"
1 37 GLU 8.226 0.186 15 0 "[ . 1 . 2]"
1 38 GLY 6.437 0.210 18 0 "[ . 1 . 2]"
1 39 SER 5.248 0.151 2 0 "[ . 1 . 2]"
1 40 CYS 3.832 0.151 2 0 "[ . 1 . 2]"
1 41 PRO 3.236 0.214 12 0 "[ . 1 . 2]"
1 42 THR 1.940 0.132 13 0 "[ . 1 . 2]"
1 43 GLY 1.671 0.132 13 0 "[ . 1 . 2]"
1 44 ILE 0.027 0.027 7 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 15 GLY H 1 16 SER H . . 5.270 4.680 4.640 4.736 . 0 0 "[ . 1 . 2]" 2
2 1 14 CYS H 1 15 GLY H . . 5.510 4.369 4.211 4.449 . 0 0 "[ . 1 . 2]" 2
3 1 15 GLY H 1 18 GLY H . . 6.000 4.337 4.157 4.555 . 0 0 "[ . 1 . 2]" 2
4 1 15 GLY H 1 19 ARG H . . 4.180 3.790 3.184 4.181 0.001 3 0 "[ . 1 . 2]" 2
5 1 15 GLY H 1 20 THR HA . . 3.820 3.247 2.762 3.776 . 0 0 "[ . 1 . 2]" 2
6 1 23 ASN HA 1 24 SER H . . 3.190 2.528 2.409 2.658 . 0 0 "[ . 1 . 2]" 2
7 1 23 ASN HB3 1 24 SER H . . 3.660 3.302 2.695 3.515 . 0 0 "[ . 1 . 2]" 2
8 1 14 CYS H 1 35 LYS H . . 6.500 4.528 4.322 4.951 . 0 0 "[ . 1 . 2]" 2
9 1 16 SER H 1 35 LYS H . . 4.020 3.391 3.194 3.575 . 0 0 "[ . 1 . 2]" 2
10 1 35 LYS H 1 36 SER H . . 3.000 2.376 2.240 2.571 . 0 0 "[ . 1 . 2]" 2
11 1 15 GLY HA3 1 35 LYS H . . 4.050 4.120 4.073 4.169 0.119 7 0 "[ . 1 . 2]" 2
12 1 34 ILE HB 1 35 LYS H . . 4.220 3.465 3.186 4.312 0.092 2 0 "[ . 1 . 2]" 2
13 1 35 LYS H 1 35 LYS HB3 . . 3.260 2.710 2.412 3.159 . 0 0 "[ . 1 . 2]" 2
14 1 15 GLY H 1 21 TYR H . . 4.250 4.293 4.252 4.344 0.094 18 0 "[ . 1 . 2]" 2
15 1 13 VAL H 1 21 TYR H . . 3.430 3.113 2.914 3.440 0.010 16 0 "[ . 1 . 2]" 2
16 1 14 CYS HA 1 21 TYR H . . 4.520 4.197 3.823 4.445 . 0 0 "[ . 1 . 2]" 2
17 1 20 THR HA 1 21 TYR H . . 2.700 2.174 2.123 2.254 . 0 0 "[ . 1 . 2]" 2
18 1 16 SER H 1 18 GLY H . . 5.700 4.306 4.196 4.517 . 0 0 "[ . 1 . 2]" 2
19 1 16 SER H 1 33 SER H . . 4.120 4.033 3.660 4.185 0.065 18 0 "[ . 1 . 2]" 2
20 1 16 SER H 1 32 VAL HA . . 5.410 5.347 4.912 5.494 0.084 13 0 "[ . 1 . 2]" 2
21 1 16 SER H 1 35 LYS HA . . 5.410 4.892 4.729 5.135 . 0 0 "[ . 1 . 2]" 2
22 1 21 TYR H 1 22 ALA H . . 4.420 4.459 4.419 4.499 0.079 13 0 "[ . 1 . 2]" 2
23 1 21 TYR HA 1 22 ALA H . . 2.770 2.498 2.256 2.659 . 0 0 "[ . 1 . 2]" 2
24 1 21 TYR HB2 1 22 ALA H . . 4.120 3.360 3.116 3.767 . 0 0 "[ . 1 . 2]" 2
25 1 11 LYS H 1 23 ASN HA . . 3.920 3.971 3.593 4.070 0.150 2 0 "[ . 1 . 2]" 2
26 1 10 LEU HA 1 11 LYS H . . 2.700 2.365 2.259 2.458 . 0 0 "[ . 1 . 2]" 2
27 1 11 LYS H 1 22 ALA HA . . 5.410 5.327 5.027 5.448 0.038 15 0 "[ . 1 . 2]" 2
28 1 11 LYS H 1 11 LYS HB3 . . 3.720 3.281 2.825 3.791 0.071 1 0 "[ . 1 . 2]" 2
29 1 11 LYS H 1 11 LYS HB2 . . 3.720 3.047 2.554 3.829 0.109 3 0 "[ . 1 . 2]" 2
30 1 14 CYS H 1 38 GLY H . . 4.620 4.323 4.063 4.475 . 0 0 "[ . 1 . 2]" 2
31 1 13 VAL HA 1 14 CYS H . . 3.220 2.295 2.157 2.422 . 0 0 "[ . 1 . 2]" 2
32 1 14 CYS H 1 37 GLU HA . . 4.160 3.704 3.407 3.983 . 0 0 "[ . 1 . 2]" 2
33 1 14 CYS H 1 14 CYS HB2 . . 3.040 2.755 2.646 2.959 . 0 0 "[ . 1 . 2]" 2
34 1 14 CYS H 1 14 CYS HB3 . . 3.340 2.696 2.604 2.782 . 0 0 "[ . 1 . 2]" 2
35 1 7 PRO HA 1 8 LYS H . . 3.160 2.308 2.179 2.433 . 0 0 "[ . 1 . 2]" 2
36 1 7 PRO HB2 1 8 LYS H . . 3.850 2.874 2.470 3.341 . 0 0 "[ . 1 . 2]" 2
37 1 2 LYS H 1 3 VAL H . . 4.380 3.474 1.866 4.413 0.033 19 0 "[ . 1 . 2]" 2
38 1 36 SER HA 1 37 GLU H . . 3.130 2.379 2.313 2.461 . 0 0 "[ . 1 . 2]" 2
39 1 36 SER HB3 1 37 GLU H . . 3.520 3.400 2.591 3.627 0.107 16 0 "[ . 1 . 2]" 2
40 1 10 LEU H 1 11 LYS H . . 4.050 3.779 3.559 3.993 . 0 0 "[ . 1 . 2]" 2
41 1 9 ILE HB 1 10 LEU H . . 3.560 3.310 2.248 3.804 0.244 10 0 "[ . 1 . 2]" 2
42 1 34 ILE H 1 35 LYS H . . 5.270 4.463 4.327 4.520 . 0 0 "[ . 1 . 2]" 2
43 1 33 SER H 1 34 ILE H . . 5.930 4.575 4.488 4.640 . 0 0 "[ . 1 . 2]" 2
44 1 33 SER HA 1 34 ILE H . . 3.230 2.360 2.275 2.505 . 0 0 "[ . 1 . 2]" 2
45 1 33 SER HB2 1 34 ILE H . . 3.490 2.943 2.426 3.684 0.194 12 0 "[ . 1 . 2]" 2
46 1 34 ILE H 1 34 ILE HB . . 3.160 3.382 2.621 3.580 0.420 7 0 "[ . 1 . 2]" 2
47 1 26 ILE H 1 29 CYS H . . 5.940 4.753 4.625 5.020 . 0 0 "[ . 1 . 2]" 2
48 1 29 CYS H 1 30 ASN H . . 3.430 2.829 2.657 2.979 . 0 0 "[ . 1 . 2]" 2
49 1 26 ILE HA 1 29 CYS H . . 4.080 3.404 3.192 3.625 . 0 0 "[ . 1 . 2]" 2
50 1 27 ALA HA 1 29 CYS H . . 5.460 4.452 4.205 4.774 . 0 0 "[ . 1 . 2]" 2
51 1 21 TYR H 1 40 CYS H . . 6.500 6.185 5.512 6.439 . 0 0 "[ . 1 . 2]" 2
52 1 14 CYS HA 1 40 CYS H . . 4.570 3.923 3.488 4.228 . 0 0 "[ . 1 . 2]" 2
53 1 20 THR HA 1 40 CYS H . . 4.940 4.527 3.743 4.903 . 0 0 "[ . 1 . 2]" 2
54 1 39 SER HB2 1 40 CYS H . . 3.840 3.710 2.845 3.991 0.151 2 0 "[ . 1 . 2]" 2
55 1 39 SER HB3 1 40 CYS H . . 3.750 3.552 3.018 3.874 0.124 7 0 "[ . 1 . 2]" 2
56 1 40 CYS H 1 40 CYS HB2 . . 3.690 3.639 3.549 3.721 0.031 3 0 "[ . 1 . 2]" 2
57 1 40 CYS H 1 40 CYS HB3 . . 3.190 3.219 3.178 3.266 0.076 3 0 "[ . 1 . 2]" 2
58 1 3 VAL HA 1 4 CYS H . . 3.440 2.626 2.053 3.523 0.083 20 0 "[ . 1 . 2]" 2
59 1 4 CYS QB 1 5 ALA H . . 3.370 2.748 2.083 3.401 0.031 9 0 "[ . 1 . 2]" 2
60 1 3 VAL HB 1 4 CYS H . . 4.020 3.476 2.358 4.165 0.145 2 0 "[ . 1 . 2]" 2
61 1 17 ASP H 1 18 GLY H . . 2.960 2.665 2.484 2.748 . 0 0 "[ . 1 . 2]" 2
62 1 17 ASP HB3 1 18 GLY H . . 6.000 3.663 3.222 4.392 . 0 0 "[ . 1 . 2]" 2
63 1 18 GLY H 1 19 ARG H . . 3.130 2.532 2.334 2.670 . 0 0 "[ . 1 . 2]" 2
64 1 16 SER HA 1 18 GLY H . . 3.950 3.492 3.168 3.791 . 0 0 "[ . 1 . 2]" 2
65 1 17 ASP HB2 1 18 GLY H . . 6.000 4.114 3.557 4.407 . 0 0 "[ . 1 . 2]" 2
66 1 43 GLY H 1 44 ILE H . . 4.090 2.569 2.049 3.068 . 0 0 "[ . 1 . 2]" 2
67 1 42 THR HB 1 43 GLY H . . 4.050 3.801 3.261 4.136 0.086 6 0 "[ . 1 . 2]" 2
68 1 19 ARG H 1 20 THR H . . 4.780 4.549 4.442 4.621 . 0 0 "[ . 1 . 2]" 2
69 1 13 VAL H 1 14 CYS HA . . 6.080 4.860 4.771 4.904 . 0 0 "[ . 1 . 2]" 2
70 1 14 CYS HA 1 20 THR H . . 6.080 4.924 4.492 5.257 . 0 0 "[ . 1 . 2]" 2
71 1 19 ARG HA 1 20 THR H . . 3.360 2.333 2.212 2.448 . 0 0 "[ . 1 . 2]" 2
72 1 20 THR H 1 20 THR HB . . 3.130 2.657 2.515 2.998 . 0 0 "[ . 1 . 2]" 2
73 1 19 ARG HB2 1 20 THR H . . 3.990 3.976 3.839 4.043 0.053 1 0 "[ . 1 . 2]" 2
74 1 19 ARG HB3 1 20 THR H . . 3.990 3.200 2.736 3.526 . 0 0 "[ . 1 . 2]" 2
75 1 13 VAL H 1 14 CYS H . . 4.520 4.420 4.315 4.483 . 0 0 "[ . 1 . 2]" 2
76 1 13 VAL H 1 38 GLY H . . 4.680 4.751 4.719 4.890 0.210 18 0 "[ . 1 . 2]" 2
77 1 13 VAL H 1 23 ASN H . . 4.980 4.510 4.112 4.853 . 0 0 "[ . 1 . 2]" 2
78 1 13 VAL H 1 23 ASN HA . . 4.120 4.058 3.669 4.154 0.034 14 0 "[ . 1 . 2]" 2
79 1 12 PRO HA 1 13 VAL H . . 2.700 2.350 2.285 2.398 . 0 0 "[ . 1 . 2]" 2
80 1 42 THR H 1 43 GLY H . . 3.660 2.911 2.469 3.792 0.132 13 0 "[ . 1 . 2]" 2
81 1 41 PRO HA 1 42 THR H . . 3.060 2.238 2.110 2.368 . 0 0 "[ . 1 . 2]" 2
82 1 41 PRO HB3 1 42 THR H . . 3.990 3.836 3.575 4.058 0.068 1 0 "[ . 1 . 2]" 2
83 1 24 SER H 1 26 ILE H . . 6.000 4.503 4.342 4.649 . 0 0 "[ . 1 . 2]" 2
84 1 25 CYS H 1 26 ILE H . . 3.740 2.761 2.496 2.911 . 0 0 "[ . 1 . 2]" 2
85 1 26 ILE H 1 28 ARG H . . 4.780 4.261 3.945 4.382 . 0 0 "[ . 1 . 2]" 2
86 1 23 ASN H 1 26 ILE H . . 4.250 3.966 3.764 4.129 . 0 0 "[ . 1 . 2]" 2
87 1 24 SER HA 1 26 ILE H . . 4.450 4.402 4.194 4.490 0.040 11 0 "[ . 1 . 2]" 2
88 1 25 CYS HB3 1 26 ILE H . . 4.160 2.344 2.220 2.552 . 0 0 "[ . 1 . 2]" 2
89 1 16 SER H 1 17 ASP H . . 3.720 2.803 2.738 2.891 . 0 0 "[ . 1 . 2]" 2
90 1 15 GLY HA3 1 17 ASP H . . 4.220 3.308 3.173 3.413 . 0 0 "[ . 1 . 2]" 2
91 1 17 ASP H 1 17 ASP HB2 . . 3.760 2.575 2.173 3.620 . 0 0 "[ . 1 . 2]" 2
92 1 17 ASP H 1 17 ASP HB3 . . 3.760 2.766 2.424 3.604 . 0 0 "[ . 1 . 2]" 2
93 1 5 ALA HA 1 6 CYS H . . 3.530 2.425 2.197 3.555 0.025 8 0 "[ . 1 . 2]" 2
94 1 16 SER QB 1 17 ASP H . . 6.880 3.227 2.844 3.848 . 0 0 "[ . 1 . 2]" 2
95 1 6 CYS H 1 6 CYS HB2 . . 3.710 2.135 2.093 2.191 . 0 0 "[ . 1 . 2]" 2
96 1 32 VAL H 1 33 SER H . . 5.240 4.549 4.451 4.632 . 0 0 "[ . 1 . 2]" 2
97 1 33 SER H 1 33 SER HB3 . . 3.290 2.981 2.629 3.375 0.085 17 0 "[ . 1 . 2]" 2
98 1 24 SER H 1 25 CYS H . . 3.540 2.834 2.601 3.041 . 0 0 "[ . 1 . 2]" 2
99 1 25 CYS H 1 27 ALA H . . 4.630 4.318 4.024 4.596 . 0 0 "[ . 1 . 2]" 2
100 1 23 ASN HA 1 25 CYS H . . 4.740 4.687 4.519 4.774 0.034 6 0 "[ . 1 . 2]" 2
101 1 24 SER HA 1 25 CYS H . . 3.650 3.495 3.458 3.529 . 0 0 "[ . 1 . 2]" 2
102 1 38 GLY H 1 39 SER H . . 4.120 4.222 4.161 4.269 0.149 20 0 "[ . 1 . 2]" 2
103 1 13 VAL HA 1 38 GLY H . . 3.390 2.554 2.365 2.658 . 0 0 "[ . 1 . 2]" 2
104 1 37 GLU H 1 38 GLY H . . 4.510 4.571 4.505 4.596 0.086 19 0 "[ . 1 . 2]" 2
105 1 28 ARG H 1 29 CYS HA . . 5.430 5.376 4.833 5.480 0.050 19 0 "[ . 1 . 2]" 2
106 1 42 THR HA 1 44 ILE H . . 5.440 4.269 3.320 5.284 . 0 0 "[ . 1 . 2]" 2
107 1 44 ILE H 1 44 ILE HB . . 3.890 2.852 2.235 3.678 . 0 0 "[ . 1 . 2]" 2
108 1 28 ARG H 1 29 CYS H . . 3.330 2.743 2.097 2.855 . 0 0 "[ . 1 . 2]" 2
109 1 28 ARG H 1 30 ASN H . . 4.550 4.436 3.799 4.594 0.044 5 0 "[ . 1 . 2]" 2
110 1 29 CYS H 1 31 GLY H . . 4.700 4.151 3.966 4.273 . 0 0 "[ . 1 . 2]" 2
111 1 30 ASN H 1 31 GLY H . . 3.360 2.725 2.495 2.828 . 0 0 "[ . 1 . 2]" 2
112 1 31 GLY H 1 32 VAL HA . . 6.000 5.221 4.979 5.354 . 0 0 "[ . 1 . 2]" 2
113 1 29 CYS HA 1 31 GLY H . . 4.380 3.709 3.511 3.920 . 0 0 "[ . 1 . 2]" 2
114 1 28 ARG HA 1 31 GLY H . . 3.890 3.472 3.257 3.723 . 0 0 "[ . 1 . 2]" 2
115 1 39 SER H 1 40 CYS H . . 4.890 4.631 4.586 4.662 . 0 0 "[ . 1 . 2]" 2
116 1 14 CYS H 1 36 SER H . . 3.790 3.313 3.197 3.581 . 0 0 "[ . 1 . 2]" 2
117 1 36 SER H 1 37 GLU H . . 4.680 4.401 4.345 4.521 . 0 0 "[ . 1 . 2]" 2
118 1 34 ILE HB 1 36 SER H . . 5.440 3.668 3.238 4.658 . 0 0 "[ . 1 . 2]" 2
119 1 35 LYS HB2 1 36 SER H . . 3.920 3.704 3.383 3.916 . 0 0 "[ . 1 . 2]" 2
120 1 28 ARG HA 1 30 ASN H . . 5.600 4.093 3.798 4.404 . 0 0 "[ . 1 . 2]" 2
121 1 29 CYS HB2 1 30 ASN H . . 3.780 3.680 2.959 3.870 0.090 3 0 "[ . 1 . 2]" 2
122 1 30 ASN H 1 30 ASN HB2 . . 3.330 2.438 2.065 3.497 0.167 13 0 "[ . 1 . 2]" 2
123 1 26 ILE HA 1 30 ASN H . . 6.000 4.679 3.920 5.411 . 0 0 "[ . 1 . 2]" 2
124 1 17 ASP H 1 19 ARG H . . 4.120 3.911 3.425 4.120 0.000 20 0 "[ . 1 . 2]" 2
125 1 19 ARG H 1 19 ARG HB2 . . 3.290 2.498 2.067 3.091 . 0 0 "[ . 1 . 2]" 2
126 1 31 GLY H 1 32 VAL H . . 3.230 2.610 2.271 2.842 . 0 0 "[ . 1 . 2]" 2
127 1 28 ARG HA 1 32 VAL H . . 3.720 3.489 2.879 3.754 0.034 15 0 "[ . 1 . 2]" 2
128 1 27 ALA H 1 29 CYS H . . 4.830 4.229 4.123 4.427 . 0 0 "[ . 1 . 2]" 2
129 1 26 ILE H 1 27 ALA H . . 3.330 2.628 2.471 2.887 . 0 0 "[ . 1 . 2]" 2
130 1 27 ALA H 1 28 ARG H . . 3.430 2.993 2.838 3.133 . 0 0 "[ . 1 . 2]" 2
131 1 23 ASN H 1 27 ALA H . . 3.720 3.750 3.704 3.805 0.085 14 0 "[ . 1 . 2]" 2
132 1 25 CYS HA 1 27 ALA H . . 6.000 4.769 4.667 5.024 . 0 0 "[ . 1 . 2]" 2
133 1 27 ALA H 1 28 ARG QB . . 6.450 5.243 5.048 5.365 . 0 0 "[ . 1 . 2]" 2
134 1 23 ASN H 1 24 SER H . . 4.780 4.356 4.305 4.385 . 0 0 "[ . 1 . 2]" 2
135 1 21 TYR H 1 23 ASN H . . 6.000 4.877 4.490 5.083 . 0 0 "[ . 1 . 2]" 2
136 1 22 ALA H 1 23 ASN H . . 3.560 2.794 2.594 3.027 . 0 0 "[ . 1 . 2]" 2
137 1 11 LYS H 1 23 ASN H . . 6.000 5.808 5.481 5.948 . 0 0 "[ . 1 . 2]" 2
138 1 23 ASN H 1 25 CYS H . . 5.800 5.131 4.769 5.303 . 0 0 "[ . 1 . 2]" 2
139 1 12 PRO HA 1 23 ASN H . . 3.950 3.622 3.399 3.794 . 0 0 "[ . 1 . 2]" 2
140 1 23 ASN H 1 24 SER HA . . 4.750 4.795 4.713 4.852 0.102 14 0 "[ . 1 . 2]" 2
141 1 21 TYR HB3 1 23 ASN H . . 3.950 3.503 2.876 3.848 . 0 0 "[ . 1 . 2]" 2
142 1 8 LYS H 1 9 ILE H . . 3.590 2.597 2.365 2.874 . 0 0 "[ . 1 . 2]" 2
143 1 9 ILE H 1 10 LEU H . . 4.550 4.556 4.505 4.588 0.038 2 0 "[ . 1 . 2]" 2
144 1 7 PRO HA 1 9 ILE H . . 4.780 4.113 3.819 4.407 . 0 0 "[ . 1 . 2]" 2
145 1 8 LYS HA 1 9 ILE H . . 3.060 3.110 2.966 3.172 0.112 8 0 "[ . 1 . 2]" 2
146 1 9 ILE H 1 9 ILE HB . . 3.160 2.914 2.478 3.475 0.315 18 0 "[ . 1 . 2]" 2
147 1 14 CYS HA 1 15 GLY H . . 2.780 2.197 2.154 2.236 . 0 0 "[ . 1 . 2]" 2
148 1 14 CYS HA 1 20 THR HA . . 4.180 2.720 2.387 2.998 . 0 0 "[ . 1 . 2]" 2
149 1 41 PRO HA 1 43 GLY H . . 6.000 4.192 3.394 5.845 . 0 0 "[ . 1 . 2]" 2
150 1 19 ARG HA 1 20 THR HB . . 6.000 4.538 4.380 4.725 . 0 0 "[ . 1 . 2]" 2
151 1 37 GLU HA 1 38 GLY H . . 3.520 2.243 2.174 2.286 . 0 0 "[ . 1 . 2]" 2
152 1 25 CYS HA 1 28 ARG H . . 4.550 3.920 3.736 4.149 . 0 0 "[ . 1 . 2]" 2
153 1 32 VAL HA 1 33 SER H . . 3.430 2.300 2.193 2.468 . 0 0 "[ . 1 . 2]" 2
154 1 42 THR HA 1 43 GLY H . . 3.190 3.014 1.997 3.309 0.119 11 0 "[ . 1 . 2]" 2
155 1 39 SER HA 1 40 CYS H . . 3.570 2.209 2.151 2.238 . 0 0 "[ . 1 . 2]" 2
156 1 13 VAL H 1 39 SER HA . . 5.370 4.342 3.796 4.691 . 0 0 "[ . 1 . 2]" 2
157 1 42 THR H 1 42 THR HB . . 3.720 3.165 2.506 3.776 0.056 5 0 "[ . 1 . 2]" 2
158 1 15 GLY HA3 1 16 SER H . . 3.360 2.829 2.756 2.934 . 0 0 "[ . 1 . 2]" 2
159 1 9 ILE HA 1 10 LEU H . . 3.000 2.213 2.032 2.478 . 0 0 "[ . 1 . 2]" 2
160 1 9 ILE HA 1 10 LEU QB . . 5.460 4.060 3.791 4.410 . 0 0 "[ . 1 . 2]" 2
161 1 16 SER HA 1 35 LYS H . . 4.480 4.076 3.266 4.350 . 0 0 "[ . 1 . 2]" 2
162 1 28 ARG HA 1 33 SER H . . 5.410 5.356 5.106 5.456 0.046 12 0 "[ . 1 . 2]" 2
163 1 1 LYS HA 1 2 LYS H . . 3.160 2.308 2.124 3.155 . 0 0 "[ . 1 . 2]" 2
164 1 24 SER HA 1 27 ALA H . . 3.820 3.601 3.367 3.837 0.017 16 0 "[ . 1 . 2]" 2
165 1 23 ASN HA 1 24 SER HA . . 4.710 4.224 4.040 4.375 . 0 0 "[ . 1 . 2]" 2
166 1 34 ILE HA 1 35 LYS H . . 2.800 2.119 2.045 2.190 . 0 0 "[ . 1 . 2]" 2
167 1 16 SER H 1 34 ILE HA . . 4.150 3.554 3.058 3.874 . 0 0 "[ . 1 . 2]" 2
168 1 34 ILE HA 1 36 SER H . . 3.760 3.765 3.593 3.849 0.089 7 0 "[ . 1 . 2]" 2
169 1 12 PRO HA 1 22 ALA HA . . 3.690 3.536 3.223 3.684 . 0 0 "[ . 1 . 2]" 2
170 1 20 THR HB 1 21 TYR H . . 4.580 4.248 3.964 4.450 . 0 0 "[ . 1 . 2]" 2
171 1 36 SER HB2 1 37 GLU H . . 3.520 2.912 2.349 3.667 0.147 2 0 "[ . 1 . 2]" 2
172 1 33 SER HB3 1 34 ILE H . . 3.490 3.500 3.059 3.610 0.120 18 0 "[ . 1 . 2]" 2
173 1 33 SER H 1 33 SER HB2 . . 3.290 3.276 2.580 3.495 0.205 5 0 "[ . 1 . 2]" 2
174 1 39 SER H 1 39 SER HB2 . . 3.560 2.903 2.604 3.589 0.029 17 0 "[ . 1 . 2]" 2
175 1 39 SER H 1 39 SER HB3 . . 3.560 3.094 2.515 3.616 0.056 8 0 "[ . 1 . 2]" 2
176 1 26 ILE HA 1 29 CYS HB2 . . 3.460 2.774 2.412 3.300 . 0 0 "[ . 1 . 2]" 2
177 1 38 GLY HA3 1 39 SER H . . 3.190 2.846 2.735 2.997 . 0 0 "[ . 1 . 2]" 2
178 1 25 CYS HB2 1 26 ILE H . . 3.250 3.454 3.426 3.480 0.230 5 0 "[ . 1 . 2]" 2
179 1 29 CYS H 1 29 CYS HB2 . . 3.160 2.315 2.226 2.395 . 0 0 "[ . 1 . 2]" 2
180 1 6 CYS H 1 6 CYS HB3 . . 3.260 3.410 3.381 3.433 0.173 17 0 "[ . 1 . 2]" 2
181 1 23 ASN HB2 1 24 SER H . . 3.660 2.277 1.964 3.748 0.088 8 0 "[ . 1 . 2]" 2
182 1 29 CYS H 1 29 CYS HB3 . . 3.570 2.914 2.570 3.583 0.013 1 0 "[ . 1 . 2]" 2
183 1 29 CYS HB3 1 30 ASN H . . 3.910 3.007 2.591 3.921 0.011 10 0 "[ . 1 . 2]" 2
184 1 26 ILE HA 1 29 CYS HB3 . . 3.990 3.217 2.465 4.055 0.065 17 0 "[ . 1 . 2]" 2
185 1 3 VAL HA 1 4 CYS QB . . 6.500 4.601 3.856 5.484 . 0 0 "[ . 1 . 2]" 2
186 1 30 ASN HB2 1 31 GLY H . . 4.450 3.698 3.184 4.240 . 0 0 "[ . 1 . 2]" 2
187 1 21 TYR H 1 21 TYR HB3 . . 3.660 3.704 3.488 3.787 0.127 3 0 "[ . 1 . 2]" 2
188 1 21 TYR HB3 1 22 ALA H . . 4.120 2.438 2.252 2.667 . 0 0 "[ . 1 . 2]" 2
189 1 30 ASN HB3 1 31 GLY H . . 4.450 4.087 3.228 4.393 . 0 0 "[ . 1 . 2]" 2
190 1 30 ASN H 1 30 ASN HB3 . . 3.330 3.287 2.489 3.522 0.192 18 0 "[ . 1 . 2]" 2
191 1 21 TYR H 1 21 TYR HB2 . . 3.660 2.655 2.241 2.795 . 0 0 "[ . 1 . 2]" 2
192 1 21 TYR HB2 1 23 ASN H . . 3.950 3.283 3.006 3.550 . 0 0 "[ . 1 . 2]" 2
193 1 7 PRO HB3 1 9 ILE H . . 4.450 4.265 4.050 4.496 0.046 16 0 "[ . 1 . 2]" 2
194 1 7 PRO HB3 1 8 LYS H . . 3.850 3.673 3.516 3.899 0.049 8 0 "[ . 1 . 2]" 2
195 1 41 PRO HB2 1 42 THR H . . 3.990 3.212 2.723 3.705 . 0 0 "[ . 1 . 2]" 2
196 1 37 GLU H 1 37 GLU HB2 . . 3.430 3.203 2.401 3.616 0.186 15 0 "[ . 1 . 2]" 2
197 1 37 GLU HB2 1 38 GLY H . . 3.760 3.126 2.570 3.860 0.100 16 0 "[ . 1 . 2]" 2
198 1 13 VAL HB 1 14 CYS H . . 2.920 2.586 2.383 2.810 . 0 0 "[ . 1 . 2]" 2
199 1 3 VAL H 1 3 VAL HB . . 3.460 3.091 2.501 3.603 0.143 17 0 "[ . 1 . 2]" 2
200 1 28 ARG QB 1 29 CYS H . . 3.540 3.585 3.527 3.622 0.082 8 0 "[ . 1 . 2]" 2
201 1 25 CYS HA 1 28 ARG QB . . 4.680 4.166 4.088 4.330 . 0 0 "[ . 1 . 2]" 2
202 1 37 GLU H 1 37 GLU HB3 . . 3.430 3.004 2.183 3.599 0.169 14 0 "[ . 1 . 2]" 2
203 1 37 GLU HB3 1 38 GLY H . . 3.760 3.570 2.745 3.858 0.098 18 0 "[ . 1 . 2]" 2
204 1 32 VAL H 1 32 VAL HB . . 3.360 3.207 2.625 3.580 0.220 18 0 "[ . 1 . 2]" 2
205 1 32 VAL HB 1 33 SER H . . 3.390 3.283 2.761 3.560 0.170 17 0 "[ . 1 . 2]" 2
206 1 43 GLY H 1 44 ILE HB . . 5.900 5.046 3.948 5.927 0.027 7 0 "[ . 1 . 2]" 2
207 1 8 LYS H 1 8 LYS HB2 . . 3.460 3.255 2.448 3.629 0.169 16 0 "[ . 1 . 2]" 2
208 1 22 ALA H 1 26 ILE HB . . 4.350 4.400 3.737 4.549 0.199 15 0 "[ . 1 . 2]" 2
209 1 26 ILE H 1 26 ILE HB . . 3.160 2.488 2.310 2.826 . 0 0 "[ . 1 . 2]" 2
210 1 25 CYS H 1 26 ILE HB . . 5.690 5.049 4.690 5.618 . 0 0 "[ . 1 . 2]" 2
211 1 26 ILE HB 1 27 ALA H . . 3.430 3.453 2.413 3.752 0.322 1 0 "[ . 1 . 2]" 2
212 1 2 LYS HB3 1 3 VAL H . . 4.450 3.855 2.483 4.492 0.042 3 0 "[ . 1 . 2]" 2
213 1 7 PRO HB2 1 9 ILE H . . 4.450 2.571 2.418 2.783 . 0 0 "[ . 1 . 2]" 2
214 1 2 LYS HB2 1 3 VAL H . . 4.450 3.750 2.126 4.517 0.067 17 0 "[ . 1 . 2]" 2
215 1 8 LYS H 1 8 LYS HB3 . . 3.460 2.853 2.603 3.127 . 0 0 "[ . 1 . 2]" 2
216 1 35 LYS H 1 35 LYS HB2 . . 3.260 2.469 2.251 2.785 . 0 0 "[ . 1 . 2]" 2
217 1 35 LYS HB3 1 36 SER H . . 3.920 2.662 2.467 2.949 . 0 0 "[ . 1 . 2]" 2
218 1 19 ARG H 1 19 ARG HB3 . . 3.290 2.948 2.551 3.340 0.050 16 0 "[ . 1 . 2]" 2
219 1 15 GLY H 1 21 TYR QD . . 7.800 3.515 2.831 4.174 . 0 0 "[ . 1 . 2]" 2
220 1 35 LYS H 1 35 LYS HD3 . . 5.800 4.912 4.194 5.941 0.141 19 0 "[ . 1 . 2]" 2
221 1 21 TYR H 1 26 ILE QG . . 6.880 6.817 6.058 7.111 0.231 20 0 "[ . 1 . 2]" 2
222 1 16 SER H 1 21 TYR QD . . 8.130 6.327 6.005 6.712 . 0 0 "[ . 1 . 2]" 2
223 1 16 SER H 1 35 LYS HB2 . . 6.000 3.494 3.233 4.050 . 0 0 "[ . 1 . 2]" 2
224 1 16 SER H 1 35 LYS HB3 . . 6.000 4.874 4.490 5.264 . 0 0 "[ . 1 . 2]" 2
225 1 10 LEU HG 1 11 LYS H . . 5.440 4.836 4.580 5.069 . 0 0 "[ . 1 . 2]" 2
226 1 8 LYS H 1 8 LYS HG2 . . 4.610 3.014 1.946 4.634 0.024 19 0 "[ . 1 . 2]" 2
227 1 8 LYS H 1 8 LYS HG3 . . 4.610 3.398 2.093 4.553 . 0 0 "[ . 1 . 2]" 2
228 1 37 GLU H 1 37 GLU HG3 . . 4.380 2.864 1.925 4.448 0.068 16 0 "[ . 1 . 2]" 2
229 1 28 ARG HG2 1 29 CYS H . . 6.280 3.060 2.657 4.021 . 0 0 "[ . 1 . 2]" 2
230 1 28 ARG HG3 1 29 CYS H . . 6.000 2.504 2.324 2.803 . 0 0 "[ . 1 . 2]" 2
231 1 26 ILE QG 1 29 CYS H . . 6.500 5.231 4.631 6.083 . 0 0 "[ . 1 . 2]" 2
232 1 20 THR HB 1 40 CYS H . . 4.730 4.278 2.463 4.736 0.006 4 0 "[ . 1 . 2]" 2
233 1 19 ARG QG 1 20 THR H . . 6.880 2.424 1.963 3.714 . 0 0 "[ . 1 . 2]" 2
234 1 20 THR H 1 21 TYR QE . . 8.130 5.219 4.893 5.891 . 0 0 "[ . 1 . 2]" 2
235 1 6 CYS H 1 7 PRO HD3 . . 4.890 4.963 4.937 4.980 0.090 12 0 "[ . 1 . 2]" 2
236 1 7 PRO HD3 1 26 ILE H . . 6.000 6.038 5.993 6.062 0.062 18 0 "[ . 1 . 2]" 2
237 1 17 ASP H 1 32 VAL HB . . 5.740 3.886 3.042 4.578 . 0 0 "[ . 1 . 2]" 2
238 1 13 VAL HB 1 38 GLY H . . 5.170 4.336 3.709 4.674 . 0 0 "[ . 1 . 2]" 2
239 1 26 ILE QG 1 28 ARG H . . 6.880 5.933 5.210 6.539 . 0 0 "[ . 1 . 2]" 2
240 1 28 ARG H 1 28 ARG HG2 . . 4.810 2.347 2.207 3.177 . 0 0 "[ . 1 . 2]" 2
241 1 13 VAL HB 1 36 SER H . . 6.000 4.202 3.843 4.517 . 0 0 "[ . 1 . 2]" 2
242 1 35 LYS HD2 1 36 SER H . . 5.970 5.482 4.636 6.044 0.074 7 0 "[ . 1 . 2]" 2
243 1 35 LYS HD3 1 36 SER H . . 5.970 5.267 4.565 6.046 0.076 2 0 "[ . 1 . 2]" 2
244 1 26 ILE QG 1 30 ASN H . . 6.880 5.370 4.420 6.841 . 0 0 "[ . 1 . 2]" 2
245 1 19 ARG H 1 21 TYR QE . . 8.130 4.350 3.703 5.072 . 0 0 "[ . 1 . 2]" 2
246 1 21 TYR QE 1 30 ASN HD21 . . 8.130 3.656 2.869 5.400 . 0 0 "[ . 1 . 2]" 2
247 1 21 TYR QE 1 30 ASN HD22 . . 8.130 3.406 2.914 4.718 . 0 0 "[ . 1 . 2]" 2
248 1 21 TYR QD 1 27 ALA H . . 8.130 4.416 4.150 4.573 . 0 0 "[ . 1 . 2]" 2
249 1 21 TYR HB2 1 27 ALA H . . 5.870 3.325 3.115 3.820 . 0 0 "[ . 1 . 2]" 2
250 1 21 TYR QD 1 26 ILE H . . 8.130 6.398 5.922 6.585 . 0 0 "[ . 1 . 2]" 2
251 1 19 ARG QG 1 21 TYR QD . . 9.010 4.741 4.011 5.478 . 0 0 "[ . 1 . 2]" 2
252 1 19 ARG QG 1 21 TYR QE . . 9.020 4.123 2.787 5.198 . 0 0 "[ . 1 . 2]" 2
253 1 15 GLY H 1 21 TYR QE . . 6.750 3.512 2.886 4.903 . 0 0 "[ . 1 . 2]" 2
254 1 21 TYR H 1 21 TYR QE . . 6.710 4.653 4.488 4.890 . 0 0 "[ . 1 . 2]" 2
255 1 17 ASP H 1 21 TYR QE . . 8.130 4.623 4.198 5.493 . 0 0 "[ . 1 . 2]" 2
256 1 20 THR HA 1 21 TYR QE . . 7.670 4.803 4.549 5.513 . 0 0 "[ . 1 . 2]" 2
257 1 19 ARG HB2 1 21 TYR QE . . 8.130 4.314 3.282 5.803 . 0 0 "[ . 1 . 2]" 2
258 1 19 ARG HB3 1 21 TYR QE . . 8.130 3.237 2.567 4.422 . 0 0 "[ . 1 . 2]" 2
259 1 9 ILE H 1 9 ILE HG13 . . 4.420 2.744 1.906 4.425 0.005 17 0 "[ . 1 . 2]" 2
260 1 9 ILE HA 1 10 LEU HG . . 6.000 5.104 3.965 6.051 0.051 6 0 "[ . 1 . 2]" 2
261 1 16 SER HA 1 35 LYS HB2 . . 3.820 2.268 2.105 2.563 . 0 0 "[ . 1 . 2]" 2
262 1 6 CYS H 1 7 PRO HD2 . . 6.500 4.904 4.817 4.973 . 0 0 "[ . 1 . 2]" 2
263 1 7 PRO HD2 1 26 ILE H . . 6.000 4.497 4.408 4.628 . 0 0 "[ . 1 . 2]" 2
264 1 16 SER QB 1 35 LYS HB2 . . 6.880 3.428 2.668 4.033 . 0 0 "[ . 1 . 2]" 2
265 1 16 SER QB 1 35 LYS HB3 . . 6.880 4.968 4.273 5.555 . 0 0 "[ . 1 . 2]" 2
266 1 40 CYS HA 1 41 PRO HD2 . . 2.920 2.399 2.322 2.480 . 0 0 "[ . 1 . 2]" 2
267 1 40 CYS HB2 1 41 PRO HD2 . . 3.800 2.173 2.063 2.250 . 0 0 "[ . 1 . 2]" 2
268 1 11 LYS HA 1 12 PRO HD2 . . 2.960 2.230 2.166 2.292 . 0 0 "[ . 1 . 2]" 2
269 1 40 CYS HA 1 41 PRO HD3 . . 2.950 2.342 2.276 2.422 . 0 0 "[ . 1 . 2]" 2
270 1 40 CYS HB2 1 41 PRO HD3 . . 3.620 3.604 3.509 3.654 0.034 6 0 "[ . 1 . 2]" 2
271 1 6 CYS HA 1 7 PRO HD3 . . 3.020 2.234 2.196 2.266 . 0 0 "[ . 1 . 2]" 2
272 1 11 LYS HA 1 12 PRO HD3 . . 2.960 2.995 2.973 3.022 0.062 2 0 "[ . 1 . 2]" 2
273 1 37 GLU H 1 37 GLU HG2 . . 4.380 2.711 1.906 4.380 . 0 0 "[ . 1 . 2]" 2
274 1 40 CYS HB3 1 41 PRO HD2 . . 4.760 2.771 2.579 2.908 . 0 0 "[ . 1 . 2]" 2
275 1 40 CYS HB3 1 41 PRO HD3 . . 3.910 3.843 3.657 3.927 0.017 7 0 "[ . 1 . 2]" 2
276 1 13 VAL HB 1 37 GLU HA . . 4.780 3.285 2.630 3.755 . 0 0 "[ . 1 . 2]" 2
277 1 13 VAL HB 1 34 ILE HB . . 6.000 2.741 2.335 5.011 . 0 0 "[ . 1 . 2]" 2
278 1 13 VAL HB 1 24 SER HA . . 5.470 4.536 4.259 4.881 . 0 0 "[ . 1 . 2]" 2
279 1 13 VAL HB 1 34 ILE HA . . 5.470 4.047 3.688 4.839 . 0 0 "[ . 1 . 2]" 2
280 1 6 CYS HA 1 7 PRO HG3 . . 6.500 4.550 4.517 4.571 . 0 0 "[ . 1 . 2]" 2
281 1 6 CYS HA 1 7 PRO HG2 . . 6.040 4.723 4.636 4.777 . 0 0 "[ . 1 . 2]" 2
282 1 16 SER H 1 32 VAL HB . . 4.840 3.776 2.917 4.912 0.072 17 0 "[ . 1 . 2]" 2
283 1 28 ARG H 1 28 ARG HG3 . . 4.810 3.219 2.203 3.577 . 0 0 "[ . 1 . 2]" 2
284 1 10 LEU HA 1 10 LEU HG . . 3.390 2.640 2.379 2.943 . 0 0 "[ . 1 . 2]" 2
285 1 10 LEU H 1 10 LEU HG . . 5.080 3.794 2.760 4.652 . 0 0 "[ . 1 . 2]" 2
286 1 16 SER HA 1 35 LYS HB3 . . 3.820 3.753 3.512 3.843 0.023 12 0 "[ . 1 . 2]" 2
287 1 34 ILE H 1 34 ILE HG12 . . 4.090 3.009 2.442 3.735 . 0 0 "[ . 1 . 2]" 2
288 1 9 ILE H 1 9 ILE HG12 . . 4.420 3.540 1.956 4.519 0.099 11 0 "[ . 1 . 2]" 2
289 1 35 LYS H 1 35 LYS HD2 . . 5.800 5.066 4.679 5.910 0.110 4 0 "[ . 1 . 2]" 2
290 1 22 ALA H 1 26 ILE QG . . 6.290 3.867 3.427 4.382 . 0 0 "[ . 1 . 2]" 2
291 1 26 ILE QG 1 27 ALA H . . 6.450 4.057 3.385 4.551 . 0 0 "[ . 1 . 2]" 2
292 1 23 ASN H 1 26 ILE QG . . 6.480 4.390 2.901 5.104 . 0 0 "[ . 1 . 2]" 2
293 1 21 TYR QD 1 26 ILE QG . . 9.010 4.064 2.847 5.320 . 0 0 "[ . 1 . 2]" 2
294 1 21 TYR QE 1 26 ILE QG . . 8.820 5.540 4.362 7.023 . 0 0 "[ . 1 . 2]" 2
295 1 21 TYR HA 1 26 ILE QG . . 6.880 5.173 4.356 5.742 . 0 0 "[ . 1 . 2]" 2
296 1 34 ILE H 1 34 ILE HG13 . . 4.090 3.236 2.081 4.280 0.190 19 0 "[ . 1 . 2]" 2
297 1 21 TYR HB3 1 27 ALA H . . 5.870 3.777 3.078 4.286 . 0 0 "[ . 1 . 2]" 2
298 1 6 CYS HA 1 7 PRO HD2 . . 3.140 2.688 2.540 2.783 . 0 0 "[ . 1 . 2]" 2
299 1 15 GLY H 1 20 THR MG . . 7.020 5.097 4.856 5.652 . 0 0 "[ . 1 . 2]" 2
300 1 24 SER H 1 34 ILE MG . . 7.020 4.765 4.369 5.460 . 0 0 "[ . 1 . 2]" 2
301 1 13 VAL MG1 1 24 SER H . . 6.330 3.124 2.776 3.345 . 0 0 "[ . 1 . 2]" 2
302 1 24 SER H 1 27 ALA MB . . 7.020 4.663 4.330 4.861 . 0 0 "[ . 1 . 2]" 2
303 1 34 ILE MG 1 35 LYS H . . 6.690 4.086 2.989 4.606 . 0 0 "[ . 1 . 2]" 2
304 1 21 TYR H 1 27 ALA MB . . 7.020 3.885 3.520 4.101 . 0 0 "[ . 1 . 2]" 2
305 1 20 THR MG 1 21 TYR H . . 4.250 2.862 2.559 3.659 . 0 0 "[ . 1 . 2]" 2
306 1 20 THR MG 1 22 ALA H . . 7.020 4.929 4.672 5.539 . 0 0 "[ . 1 . 2]" 2
307 1 13 VAL MG1 1 14 CYS H . . 3.780 3.761 3.602 3.821 0.041 5 0 "[ . 1 . 2]" 2
308 1 8 LYS H 1 9 ILE MG . . 7.020 4.728 3.219 5.864 . 0 0 "[ . 1 . 2]" 2
309 1 27 ALA MB 1 34 ILE H . . 7.020 4.544 3.991 5.572 . 0 0 "[ . 1 . 2]" 2
310 1 27 ALA MB 1 29 CYS H . . 4.910 4.504 4.379 4.931 0.021 17 0 "[ . 1 . 2]" 2
311 1 22 ALA MB 1 26 ILE H . . 7.020 5.128 5.037 5.240 . 0 0 "[ . 1 . 2]" 2
312 1 5 ALA MB 1 6 CYS H . . 3.610 3.464 2.894 3.691 0.081 17 0 "[ . 1 . 2]" 2
313 1 42 THR MG 1 44 ILE H . . 7.020 5.033 2.670 6.229 . 0 0 "[ . 1 . 2]" 2
314 1 31 GLY H 1 32 VAL MG1 . . 6.890 5.389 4.011 6.049 . 0 0 "[ . 1 . 2]" 2
315 1 31 GLY H 1 32 VAL MG2 . . 6.890 4.147 3.800 5.965 . 0 0 "[ . 1 . 2]" 2
316 1 20 THR MG 1 39 SER H . . 6.660 4.138 3.773 5.105 . 0 0 "[ . 1 . 2]" 2
317 1 13 VAL MG1 1 36 SER H . . 7.020 5.215 4.870 5.581 . 0 0 "[ . 1 . 2]" 2
318 1 34 ILE MG 1 36 SER H . . 7.020 4.669 2.353 5.348 . 0 0 "[ . 1 . 2]" 2
319 1 13 VAL MG2 1 36 SER H . . 7.020 5.121 4.768 5.333 . 0 0 "[ . 1 . 2]" 2
320 1 27 ALA MB 1 30 ASN H . . 7.020 4.934 4.596 5.495 . 0 0 "[ . 1 . 2]" 2
321 1 27 ALA H 1 34 ILE MG . . 7.020 4.996 4.436 6.556 . 0 0 "[ . 1 . 2]" 2
322 1 23 ASN H 1 34 ILE MG . . 7.020 6.416 6.034 7.120 0.100 2 0 "[ . 1 . 2]" 2
323 1 28 ARG HE 1 34 ILE MG . . 7.020 6.079 4.063 7.040 0.020 8 0 "[ . 1 . 2]" 2
324 1 22 ALA MB 1 23 ASN H . . 4.840 2.878 2.699 3.017 . 0 0 "[ . 1 . 2]" 2
325 1 23 ASN H 1 26 ILE MG . . 5.100 2.250 1.915 3.564 . 0 0 "[ . 1 . 2]" 2
326 1 21 TYR QD 1 27 ALA MB . . 7.330 2.400 2.272 2.717 . 0 0 "[ . 1 . 2]" 2
327 1 21 TYR QE 1 27 ALA MB . . 7.110 3.388 3.028 3.772 . 0 0 "[ . 1 . 2]" 2
328 1 20 THR MG 1 39 SER HA . . 4.080 2.362 2.125 3.110 . 0 0 "[ . 1 . 2]" 2
329 1 27 ALA MB 1 28 ARG HA . . 6.130 4.000 3.924 4.336 . 0 0 "[ . 1 . 2]" 2
330 1 24 SER HA 1 27 ALA MB . . 4.740 2.527 2.239 2.738 . 0 0 "[ . 1 . 2]" 2
331 1 42 THR MG 1 43 GLY QA . . 7.900 4.484 3.558 5.219 . 0 0 "[ . 1 . 2]" 2
332 1 24 SER HA 1 34 ILE MG . . 3.820 2.863 2.484 3.910 0.090 16 0 "[ . 1 . 2]" 2
333 1 20 THR MG 1 39 SER HB3 . . 5.100 2.782 2.076 4.185 . 0 0 "[ . 1 . 2]" 2
334 1 28 ARG QD 1 34 ILE MG . . 7.900 5.442 4.561 7.391 . 0 0 "[ . 1 . 2]" 2
335 1 9 ILE MD 1 23 ASN HB2 . . 6.330 4.735 2.516 6.063 . 0 0 "[ . 1 . 2]" 2
336 1 9 ILE MG 1 11 LYS QE . . 7.900 5.002 3.375 7.087 . 0 0 "[ . 1 . 2]" 2
337 1 9 ILE MD 1 11 LYS QE . . 7.900 4.839 2.400 6.424 . 0 0 "[ . 1 . 2]" 2
338 1 21 TYR HB3 1 27 ALA MB . . 5.700 3.577 2.683 4.012 . 0 0 "[ . 1 . 2]" 2
339 1 21 TYR HB2 1 26 ILE MG . . 7.020 2.618 2.270 3.727 . 0 0 "[ . 1 . 2]" 2
340 1 21 TYR HB2 1 27 ALA MB . . 5.700 2.317 2.166 2.582 . 0 0 "[ . 1 . 2]" 2
341 1 13 VAL HB 1 34 ILE MG . . 5.630 2.972 2.147 4.084 . 0 0 "[ . 1 . 2]" 2
342 1 27 ALA MB 1 28 ARG QB . . 7.600 3.894 3.690 4.045 . 0 0 "[ . 1 . 2]" 2
343 1 12 PRO HB2 1 20 THR MG . . 6.660 2.569 2.188 3.572 . 0 0 "[ . 1 . 2]" 2
344 1 12 PRO HB3 1 20 THR MG . . 6.660 3.464 3.161 4.274 . 0 0 "[ . 1 . 2]" 2
345 1 7 PRO HB2 1 9 ILE MG . . 6.230 3.792 2.250 5.022 . 0 0 "[ . 1 . 2]" 2
346 1 7 PRO HB2 1 9 ILE MD . . 6.230 3.167 2.161 4.264 . 0 0 "[ . 1 . 2]" 2
347 1 9 ILE MD 1 11 LYS HG3 . . 5.670 4.809 4.163 5.691 0.021 5 0 "[ . 1 . 2]" 2
348 1 12 PRO HG3 1 20 THR MG . . 5.010 4.184 3.901 4.703 . 0 0 "[ . 1 . 2]" 2
349 1 11 LYS H 1 22 ALA MB . . 6.750 4.894 4.690 5.061 . 0 0 "[ . 1 . 2]" 2
350 1 22 ALA MB 1 26 ILE QG . . 7.900 3.540 2.504 4.578 . 0 0 "[ . 1 . 2]" 2
351 1 22 ALA MB 1 23 ASN HA . . 7.020 4.487 4.397 4.554 . 0 0 "[ . 1 . 2]" 2
352 1 20 THR MG 1 22 ALA MB . . 8.040 5.163 4.977 5.623 . 0 0 "[ . 1 . 2]" 2
353 1 22 ALA MB 1 26 ILE MG . . 6.620 2.544 2.242 3.207 . 0 0 "[ . 1 . 2]" 2
354 1 21 TYR HA 1 22 ALA MB . . 6.520 4.064 4.012 4.156 . 0 0 "[ . 1 . 2]" 2
355 1 5 ALA MB 1 6 CYS HA . . 6.500 4.551 3.997 4.671 . 0 0 "[ . 1 . 2]" 2
356 1 42 THR MG 1 43 GLY H . . 6.290 4.258 2.811 4.494 . 0 0 "[ . 1 . 2]" 2
357 1 41 PRO HA 1 42 THR MG . . 7.020 4.860 3.544 5.677 . 0 0 "[ . 1 . 2]" 2
358 1 20 THR MG 1 40 CYS H . . 3.460 3.326 3.147 3.471 0.011 9 0 "[ . 1 . 2]" 2
359 1 13 VAL H 1 20 THR MG . . 4.680 3.187 2.633 4.648 . 0 0 "[ . 1 . 2]" 2
360 1 20 THR MG 1 21 TYR QE . . 9.150 6.084 5.875 6.429 . 0 0 "[ . 1 . 2]" 2
361 1 12 PRO HA 1 20 THR MG . . 5.570 4.368 3.865 5.509 . 0 0 "[ . 1 . 2]" 2
362 1 20 THR MG 1 21 TYR HA . . 5.570 3.697 3.530 3.915 . 0 0 "[ . 1 . 2]" 2
363 1 20 THR MG 1 39 SER HB2 . . 5.100 3.087 2.311 3.834 . 0 0 "[ . 1 . 2]" 2
364 1 12 PRO HG2 1 20 THR MG . . 5.010 4.107 3.696 4.873 . 0 0 "[ . 1 . 2]" 2
365 1 20 THR MG 1 27 ALA MB . . 8.040 5.630 5.236 6.519 . 0 0 "[ . 1 . 2]" 2
366 1 14 CYS HA 1 20 THR MG . . 4.600 3.932 3.599 4.604 0.004 12 0 "[ . 1 . 2]" 2
367 1 12 PRO HA 1 13 VAL MG1 . . 6.920 3.354 3.212 3.483 . 0 0 "[ . 1 . 2]" 2
368 1 13 VAL MG1 1 34 ILE MD . . 8.040 2.758 2.093 3.697 . 0 0 "[ . 1 . 2]" 2
369 1 13 VAL MG1 1 23 ASN HA . . 6.130 3.155 2.823 3.424 . 0 0 "[ . 1 . 2]" 2
370 1 22 ALA H 1 26 ILE MG . . 5.800 2.269 2.034 3.126 . 0 0 "[ . 1 . 2]" 2
371 1 21 TYR HB3 1 26 ILE MG . . 7.020 2.001 1.899 2.391 . 0 0 "[ . 1 . 2]" 2
372 1 26 ILE MG 1 27 ALA HA . . 6.850 3.348 3.090 3.690 . 0 0 "[ . 1 . 2]" 2
373 1 32 VAL MG1 1 33 SER H . . 6.160 2.894 1.944 3.810 . 0 0 "[ . 1 . 2]" 2
374 1 15 GLY H 1 27 ALA MB . . 6.390 4.529 3.938 4.851 . 0 0 "[ . 1 . 2]" 2
375 1 27 ALA MB 1 35 LYS H . . 7.020 5.520 5.365 5.744 . 0 0 "[ . 1 . 2]" 2
376 1 26 ILE H 1 27 ALA MB . . 5.240 4.222 4.098 4.394 . 0 0 "[ . 1 . 2]" 2
377 1 23 ASN H 1 27 ALA MB . . 7.020 4.120 3.805 4.543 . 0 0 "[ . 1 . 2]" 2
378 1 27 ALA MB 1 34 ILE HB . . 5.960 4.391 3.583 5.567 . 0 0 "[ . 1 . 2]" 2
379 1 27 ALA MB 1 34 ILE MD . . 8.040 4.660 1.922 5.662 . 0 0 "[ . 1 . 2]" 2
380 1 27 ALA MB 1 28 ARG H . . 4.280 2.445 2.248 3.212 . 0 0 "[ . 1 . 2]" 2
381 1 26 ILE HB 1 27 ALA MB . . 7.020 5.021 4.034 5.390 . 0 0 "[ . 1 . 2]" 2
382 1 13 VAL H 1 27 ALA MB . . 7.020 4.608 4.212 4.874 . 0 0 "[ . 1 . 2]" 2
383 1 9 ILE MD 1 11 LYS HG2 . . 5.670 5.005 3.786 5.696 0.026 6 0 "[ . 1 . 2]" 2
384 1 9 ILE MD 1 11 LYS H . . 6.430 4.600 2.390 5.692 . 0 0 "[ . 1 . 2]" 2
385 1 8 LYS H 1 9 ILE MD . . 7.020 4.723 2.390 6.334 . 0 0 "[ . 1 . 2]" 2
386 1 9 ILE MG 1 10 LEU H . . 5.100 2.922 2.154 3.884 . 0 0 "[ . 1 . 2]" 2
387 1 9 ILE MD 1 10 LEU H . . 5.110 4.427 3.476 5.012 . 0 0 "[ . 1 . 2]" 2
388 1 9 ILE H 1 9 ILE MD . . 5.300 3.304 1.872 4.394 . 0 0 "[ . 1 . 2]" 2
389 1 9 ILE MD 1 23 ASN HB3 . . 6.330 4.526 2.204 6.343 0.013 8 0 "[ . 1 . 2]" 2
390 1 7 PRO HB3 1 9 ILE MG . . 6.230 5.049 3.644 6.265 0.035 9 0 "[ . 1 . 2]" 2
391 1 7 PRO HB3 1 9 ILE MD . . 6.230 4.079 2.766 5.272 . 0 0 "[ . 1 . 2]" 2
392 1 9 ILE MD 1 10 LEU QB . . 7.840 5.693 4.698 6.425 . 0 0 "[ . 1 . 2]" 2
393 1 28 ARG H 1 34 ILE MG . . 6.620 4.290 3.609 6.118 . 0 0 "[ . 1 . 2]" 2
394 1 33 SER HA 1 34 ILE MG . . 6.620 3.611 3.227 5.518 . 0 0 "[ . 1 . 2]" 2
395 1 28 ARG HA 1 34 ILE MG . . 7.020 4.999 4.343 7.011 . 0 0 "[ . 1 . 2]" 2
396 1 27 ALA MB 1 34 ILE MG . . 8.040 2.613 2.131 4.131 . 0 0 "[ . 1 . 2]" 2
397 1 34 ILE H 1 34 ILE MD . . 5.540 3.888 3.178 4.361 . 0 0 "[ . 1 . 2]" 2
398 1 34 ILE MD 1 37 GLU HA . . 6.820 3.398 2.915 5.492 . 0 0 "[ . 1 . 2]" 2
399 1 34 ILE MD 1 35 LYS H . . 4.840 4.249 3.401 4.868 0.028 14 0 "[ . 1 . 2]" 2
400 1 14 CYS H 1 34 ILE MD . . 4.440 4.428 4.192 4.477 0.037 12 0 "[ . 1 . 2]" 2
401 1 34 ILE MD 1 37 GLU H . . 7.020 4.016 3.160 6.776 . 0 0 "[ . 1 . 2]" 2
402 1 34 ILE MD 1 36 SER H . . 4.280 3.753 2.913 4.473 0.193 2 0 "[ . 1 . 2]" 2
403 1 13 VAL HA 1 34 ILE MD . . 7.020 4.582 4.082 5.234 . 0 0 "[ . 1 . 2]" 2
404 1 34 ILE MD 1 36 SER HA . . 6.430 3.581 2.554 6.143 . 0 0 "[ . 1 . 2]" 2
405 1 34 ILE MD 1 35 LYS HA . . 6.790 4.970 3.531 5.870 . 0 0 "[ . 1 . 2]" 2
406 1 34 ILE HA 1 34 ILE MD . . 4.510 3.711 2.119 4.147 . 0 0 "[ . 1 . 2]" 2
407 1 13 VAL HB 1 34 ILE MD . . 4.280 3.083 2.248 3.498 . 0 0 "[ . 1 . 2]" 2
408 1 32 VAL MG2 1 33 SER H . . 6.160 3.971 1.836 4.248 . 0 0 "[ . 1 . 2]" 2
409 1 13 VAL MG2 1 24 SER H . . 6.330 3.656 3.316 3.902 . 0 0 "[ . 1 . 2]" 2
410 1 13 VAL MG2 1 14 CYS H . . 3.670 3.604 3.295 3.746 0.076 12 0 "[ . 1 . 2]" 2
411 1 13 VAL MG2 1 23 ASN HA . . 6.130 3.445 3.192 3.607 . 0 0 "[ . 1 . 2]" 2
412 1 12 PRO HA 1 13 VAL MG2 . . 6.920 3.423 3.279 3.636 . 0 0 "[ . 1 . 2]" 2
413 1 13 VAL MG2 1 34 ILE MD . . 8.040 3.539 1.978 4.338 . 0 0 "[ . 1 . 2]" 2
414 1 2 LYS H 1 2 LYS QB . . 3.490 2.743 2.311 3.329 . 0 0 "[ . 1 . 2]" 2
415 1 3 VAL QG 1 4 CYS H . . 4.380 2.973 2.366 3.687 . 0 0 "[ . 1 . 2]" 2
416 1 3 VAL QG 1 5 ALA H . . 6.490 4.257 2.067 5.955 . 0 0 "[ . 1 . 2]" 2
417 1 3 VAL QG 1 5 ALA MB . . 7.860 4.818 2.822 6.551 . 0 0 "[ . 1 . 2]" 2
418 1 6 CYS H 1 6 CYS QB . . 3.710 2.114 2.074 2.168 . 0 0 "[ . 1 . 2]" 2
419 1 6 CYS HA 1 7 PRO QD . . 3.020 2.129 2.105 2.148 . 0 0 "[ . 1 . 2]" 2
420 1 6 CYS HA 1 25 CYS QB . . 4.780 3.527 3.324 3.694 . 0 0 "[ . 1 . 2]" 2
421 1 6 CYS QB 1 7 PRO QD . . 3.770 2.207 2.104 2.324 . 0 0 "[ . 1 . 2]" 2
422 1 6 CYS QB 1 23 ASN QD . . 5.300 3.009 2.470 5.342 0.042 8 0 "[ . 1 . 2]" 2
423 1 6 CYS QB 1 25 CYS QB . . 4.000 2.407 2.296 2.547 . 0 0 "[ . 1 . 2]" 2
424 1 6 CYS QB 1 26 ILE MG . . 4.940 4.947 4.785 5.013 0.073 2 0 "[ . 1 . 2]" 2
425 1 7 PRO QB 1 8 LYS HA . . 4.950 4.497 4.324 4.718 . 0 0 "[ . 1 . 2]" 2
426 1 7 PRO QB 1 8 LYS QG . . 5.620 4.670 3.978 5.661 0.041 14 0 "[ . 1 . 2]" 2
427 1 7 PRO QB 1 9 ILE H . . 3.610 2.551 2.401 2.756 . 0 0 "[ . 1 . 2]" 2
428 1 7 PRO QB 1 9 ILE HA . . 5.810 4.947 4.550 5.356 . 0 0 "[ . 1 . 2]" 2
429 1 7 PRO QB 1 9 ILE MG . . 5.450 3.674 2.230 4.827 . 0 0 "[ . 1 . 2]" 2
430 1 7 PRO QB 1 9 ILE QG . . 4.640 3.050 2.154 4.709 0.069 4 0 "[ . 1 . 2]" 2
431 1 7 PRO QB 1 9 ILE MD . . 5.460 3.055 2.088 4.092 . 0 0 "[ . 1 . 2]" 2
432 1 7 PRO QB 1 23 ASN QB . . 5.420 4.739 4.111 5.059 . 0 0 "[ . 1 . 2]" 2
433 1 7 PRO QB 1 23 ASN QD . . 4.920 4.179 3.532 4.578 . 0 0 "[ . 1 . 2]" 2
434 1 7 PRO QG 1 9 ILE MG . . 6.750 4.361 2.220 5.657 . 0 0 "[ . 1 . 2]" 2
435 1 7 PRO QG 1 9 ILE QG . . 5.620 4.042 2.431 5.484 . 0 0 "[ . 1 . 2]" 2
436 1 7 PRO QG 1 9 ILE MD . . 5.010 3.421 2.118 4.495 . 0 0 "[ . 1 . 2]" 2
437 1 7 PRO QG 1 23 ASN QD . . 5.610 2.774 2.134 3.358 . 0 0 "[ . 1 . 2]" 2
438 1 7 PRO QG 1 25 CYS QB . . 4.350 3.010 2.886 3.168 . 0 0 "[ . 1 . 2]" 2
439 1 7 PRO QD 1 23 ASN QD . . 5.610 2.848 2.305 4.256 . 0 0 "[ . 1 . 2]" 2
440 1 7 PRO QD 1 25 CYS QB . . 3.130 2.070 1.982 2.173 . 0 0 "[ . 1 . 2]" 2
441 1 8 LYS H 1 8 LYS QB . . 2.980 2.625 2.344 2.953 . 0 0 "[ . 1 . 2]" 2
442 1 8 LYS H 1 8 LYS QG . . 3.940 2.708 1.918 4.041 0.101 18 0 "[ . 1 . 2]" 2
443 1 8 LYS HA 1 8 LYS QB . . 2.600 2.277 2.145 2.543 . 0 0 "[ . 1 . 2]" 2
444 1 8 LYS HA 1 23 ASN QD . . 5.810 4.048 3.039 5.057 . 0 0 "[ . 1 . 2]" 2
445 1 8 LYS QG 1 9 ILE HA . . 5.440 4.418 3.623 5.390 . 0 0 "[ . 1 . 2]" 2
446 1 8 LYS QG 1 9 ILE MG . . 6.750 5.170 3.903 6.492 . 0 0 "[ . 1 . 2]" 2
447 1 9 ILE H 1 23 ASN QB . . 5.810 4.685 4.050 5.188 . 0 0 "[ . 1 . 2]" 2
448 1 9 ILE HA 1 10 LEU QD . . 6.900 4.874 4.402 5.218 . 0 0 "[ . 1 . 2]" 2
449 1 9 ILE HB 1 10 LEU QD . . 6.900 5.848 5.131 6.624 . 0 0 "[ . 1 . 2]" 2
450 1 9 ILE MG 1 11 LYS QG . . 6.750 4.060 2.148 6.357 . 0 0 "[ . 1 . 2]" 2
451 1 9 ILE QG 1 10 LEU H . . 5.090 3.663 2.088 4.299 . 0 0 "[ . 1 . 2]" 2
452 1 9 ILE QG 1 10 LEU QB . . 6.630 5.253 3.781 6.016 . 0 0 "[ . 1 . 2]" 2
453 1 9 ILE QG 1 11 LYS H . . 5.810 4.605 2.661 5.843 0.033 12 0 "[ . 1 . 2]" 2
454 1 9 ILE MD 1 11 LYS QB . . 5.180 3.412 2.224 4.510 . 0 0 "[ . 1 . 2]" 2
455 1 9 ILE MD 1 23 ASN QB . . 5.560 4.097 2.131 5.516 . 0 0 "[ . 1 . 2]" 2
456 1 9 ILE MD 1 23 ASN QD . . 6.750 4.832 2.765 6.290 . 0 0 "[ . 1 . 2]" 2
457 1 10 LEU HA 1 11 LYS QB . . 5.810 4.550 4.389 4.813 . 0 0 "[ . 1 . 2]" 2
458 1 10 LEU HA 1 12 PRO QD . . 4.610 3.194 2.934 3.405 . 0 0 "[ . 1 . 2]" 2
459 1 10 LEU HA 1 23 ASN QB . . 5.260 4.733 4.418 5.037 . 0 0 "[ . 1 . 2]" 2
460 1 10 LEU QB 1 12 PRO QD . . 6.630 3.864 3.192 4.374 . 0 0 "[ . 1 . 2]" 2
461 1 10 LEU QD 1 11 LYS H . . 5.130 3.813 3.441 4.150 . 0 0 "[ . 1 . 2]" 2
462 1 10 LEU QD 1 12 PRO QB . . 4.620 4.376 3.968 4.882 0.262 4 0 "[ . 1 . 2]" 2
463 1 10 LEU QD 1 12 PRO QG . . 5.300 3.568 2.810 4.445 . 0 0 "[ . 1 . 2]" 2
464 1 10 LEU QD 1 12 PRO QD . . 4.770 2.747 2.051 3.681 . 0 0 "[ . 1 . 2]" 2
465 1 10 LEU QD 1 22 ALA HA . . 4.930 4.870 4.288 5.211 0.281 17 0 "[ . 1 . 2]" 2
466 1 10 LEU QD 1 22 ALA MB . . 7.860 4.448 3.195 5.051 . 0 0 "[ . 1 . 2]" 2
467 1 11 LYS H 1 11 LYS QB . . 3.150 2.705 2.508 3.167 0.017 3 0 "[ . 1 . 2]" 2
468 1 11 LYS H 1 12 PRO QD . . 3.840 2.924 2.773 3.113 . 0 0 "[ . 1 . 2]" 2
469 1 11 LYS H 1 23 ASN QB . . 3.220 3.096 2.906 3.353 0.133 8 0 "[ . 1 . 2]" 2
470 1 11 LYS H 1 23 ASN QD . . 5.810 5.214 2.734 5.842 0.032 15 0 "[ . 1 . 2]" 2
471 1 11 LYS HA 1 12 PRO QB . . 5.090 4.890 4.859 4.913 . 0 0 "[ . 1 . 2]" 2
472 1 11 LYS QB 1 12 PRO QD . . 4.840 3.898 3.776 3.940 . 0 0 "[ . 1 . 2]" 2
473 1 11 LYS QB 1 23 ASN HA . . 5.810 4.016 3.742 4.536 . 0 0 "[ . 1 . 2]" 2
474 1 11 LYS QB 1 23 ASN QB . . 4.640 3.444 3.115 4.133 . 0 0 "[ . 1 . 2]" 2
475 1 11 LYS QB 1 24 SER H . . 5.810 4.385 4.171 4.939 . 0 0 "[ . 1 . 2]" 2
476 1 11 LYS QG 1 12 PRO QD . . 5.620 4.020 3.699 4.439 . 0 0 "[ . 1 . 2]" 2
477 1 12 PRO HA 1 13 VAL QG . . 5.700 3.014 2.929 3.130 . 0 0 "[ . 1 . 2]" 2
478 1 12 PRO QB 1 13 VAL QG . . 5.400 3.864 3.736 3.967 . 0 0 "[ . 1 . 2]" 2
479 1 12 PRO QB 1 20 THR MG . . 5.850 2.500 2.152 3.401 . 0 0 "[ . 1 . 2]" 2
480 1 12 PRO QB 1 22 ALA HA . . 4.820 2.518 2.380 2.611 . 0 0 "[ . 1 . 2]" 2
481 1 12 PRO QB 1 38 GLY QA . . 4.700 4.264 3.947 4.674 . 0 0 "[ . 1 . 2]" 2
482 1 12 PRO QB 1 39 SER H . . 5.100 3.672 3.274 3.972 . 0 0 "[ . 1 . 2]" 2
483 1 12 PRO QB 1 39 SER QB . . 4.350 3.408 2.307 4.193 . 0 0 "[ . 1 . 2]" 2
484 1 12 PRO QG 1 13 VAL H . . 4.150 4.158 4.069 4.204 0.054 19 0 "[ . 1 . 2]" 2
485 1 12 PRO QG 1 20 THR MG . . 4.200 3.690 3.393 4.261 0.061 12 0 "[ . 1 . 2]" 2
486 1 12 PRO QG 1 22 ALA HA . . 4.200 4.256 4.229 4.278 0.078 12 0 "[ . 1 . 2]" 2
487 1 12 PRO QG 1 22 ALA MB . . 6.750 5.263 5.195 5.316 . 0 0 "[ . 1 . 2]" 2
488 1 12 PRO QG 1 38 GLY QA . . 4.850 3.188 2.831 3.849 . 0 0 "[ . 1 . 2]" 2
489 1 12 PRO QG 1 39 SER H . . 4.630 2.652 2.260 2.988 . 0 0 "[ . 1 . 2]" 2
490 1 12 PRO QG 1 39 SER HA . . 4.500 4.122 3.761 4.288 . 0 0 "[ . 1 . 2]" 2
491 1 12 PRO QG 1 39 SER QB . . 5.620 3.321 2.456 3.965 . 0 0 "[ . 1 . 2]" 2
492 1 12 PRO QD 1 38 GLY QA . . 4.730 3.868 3.616 4.478 . 0 0 "[ . 1 . 2]" 2
493 1 13 VAL H 1 13 VAL QG . . 3.900 2.305 2.148 2.424 . 0 0 "[ . 1 . 2]" 2
494 1 13 VAL H 1 21 TYR QB . . 5.110 4.124 3.384 4.457 . 0 0 "[ . 1 . 2]" 2
495 1 13 VAL HA 1 14 CYS QB . . 5.040 4.120 4.008 4.212 . 0 0 "[ . 1 . 2]" 2
496 1 13 VAL HB 1 34 ILE QG . . 5.810 4.141 3.096 4.587 . 0 0 "[ . 1 . 2]" 2
497 1 13 VAL QG 1 14 CYS H . . 3.780 3.272 3.104 3.369 . 0 0 "[ . 1 . 2]" 2
498 1 13 VAL QG 1 14 CYS HA . . 6.500 3.967 3.772 4.190 . 0 0 "[ . 1 . 2]" 2
499 1 13 VAL QG 1 15 GLY H . . 6.900 3.878 3.552 4.223 . 0 0 "[ . 1 . 2]" 2
500 1 13 VAL QG 1 20 THR HA . . 6.900 4.102 3.657 4.355 . 0 0 "[ . 1 . 2]" 2
501 1 13 VAL QG 1 20 THR MG . . 7.860 4.169 3.845 5.283 . 0 0 "[ . 1 . 2]" 2
502 1 13 VAL QG 1 21 TYR H . . 4.990 3.174 2.723 3.493 . 0 0 "[ . 1 . 2]" 2
503 1 13 VAL QG 1 21 TYR QB . . 4.110 3.034 2.289 3.495 . 0 0 "[ . 1 . 2]" 2
504 1 13 VAL QG 1 21 TYR QD . . 8.910 3.002 2.637 3.720 . 0 0 "[ . 1 . 2]" 2
505 1 13 VAL QG 1 21 TYR QE . . 7.570 4.600 4.230 5.238 . 0 0 "[ . 1 . 2]" 2
506 1 13 VAL QG 1 22 ALA H . . 6.900 5.035 4.730 5.425 . 0 0 "[ . 1 . 2]" 2
507 1 13 VAL QG 1 23 ASN H . . 5.760 3.636 3.383 4.042 . 0 0 "[ . 1 . 2]" 2
508 1 13 VAL QG 1 23 ASN HA . . 5.190 2.916 2.706 3.124 . 0 0 "[ . 1 . 2]" 2
509 1 13 VAL QG 1 24 SER H . . 5.120 2.951 2.642 3.108 . 0 0 "[ . 1 . 2]" 2
510 1 13 VAL QG 1 24 SER HA . . 3.990 2.160 1.961 2.327 . 0 0 "[ . 1 . 2]" 2
511 1 13 VAL QG 1 25 CYS H . . 5.660 4.568 4.360 4.795 . 0 0 "[ . 1 . 2]" 2
512 1 13 VAL QG 1 27 ALA H . . 6.080 3.811 3.536 4.041 . 0 0 "[ . 1 . 2]" 2
513 1 13 VAL QG 1 27 ALA MB . . 6.420 2.203 1.949 2.482 . 0 0 "[ . 1 . 2]" 2
514 1 13 VAL QG 1 28 ARG H . . 6.900 4.624 4.276 5.055 . 0 0 "[ . 1 . 2]" 2
515 1 13 VAL QG 1 32 VAL QG . . 7.680 5.370 4.750 6.006 . 0 0 "[ . 1 . 2]" 2
516 1 13 VAL QG 1 34 ILE HB . . 5.630 2.912 2.312 4.216 . 0 0 "[ . 1 . 2]" 2
517 1 13 VAL QG 1 34 ILE MG . . 5.320 2.082 1.909 2.940 . 0 0 "[ . 1 . 2]" 2
518 1 13 VAL QG 1 34 ILE QG . . 4.990 3.462 2.686 3.830 . 0 0 "[ . 1 . 2]" 2
519 1 13 VAL QG 1 37 GLU H . . 5.850 4.603 4.488 4.754 . 0 0 "[ . 1 . 2]" 2
520 1 13 VAL QG 1 37 GLU HA . . 4.490 2.196 2.121 2.330 . 0 0 "[ . 1 . 2]" 2
521 1 13 VAL QG 1 37 GLU QG . . 5.810 4.238 2.280 4.879 . 0 0 "[ . 1 . 2]" 2
522 1 13 VAL QG 1 38 GLY H . . 4.610 2.641 2.032 2.948 . 0 0 "[ . 1 . 2]" 2
523 1 14 CYS H 1 14 CYS QB . . 3.040 2.425 2.368 2.549 . 0 0 "[ . 1 . 2]" 2
524 1 14 CYS QB 1 15 GLY H . . 4.670 3.903 3.837 3.977 . 0 0 "[ . 1 . 2]" 2
525 1 14 CYS QB 1 20 THR HA . . 5.480 4.626 4.308 4.933 . 0 0 "[ . 1 . 2]" 2
526 1 14 CYS QB 1 34 ILE MD . . 6.500 5.364 5.044 5.803 . 0 0 "[ . 1 . 2]" 2
527 1 14 CYS QB 1 35 LYS H . . 6.070 3.978 3.793 4.205 . 0 0 "[ . 1 . 2]" 2
528 1 14 CYS QB 1 36 SER H . . 3.460 2.882 2.666 3.060 . 0 0 "[ . 1 . 2]" 2
529 1 14 CYS QB 1 39 SER HA . . 4.420 3.823 3.638 4.141 . 0 0 "[ . 1 . 2]" 2
530 1 14 CYS QB 1 40 CYS H . . 4.230 3.059 2.739 3.337 . 0 0 "[ . 1 . 2]" 2
531 1 14 CYS QB 1 40 CYS HA . . 3.520 3.475 3.337 3.584 0.064 18 0 "[ . 1 . 2]" 2
532 1 14 CYS QB 1 41 PRO QD . . 4.250 4.393 4.339 4.464 0.214 12 0 "[ . 1 . 2]" 2
533 1 15 GLY H 1 32 VAL QG . . 6.900 5.215 4.712 5.831 . 0 0 "[ . 1 . 2]" 2
534 1 15 GLY QA 1 16 SER H . . 2.880 2.255 2.207 2.312 . 0 0 "[ . 1 . 2]" 2
535 1 15 GLY QA 1 16 SER HA . . 5.810 4.040 4.011 4.075 . 0 0 "[ . 1 . 2]" 2
536 1 15 GLY QA 1 17 ASP H . . 3.510 3.192 3.072 3.283 . 0 0 "[ . 1 . 2]" 2
537 1 15 GLY QA 1 18 GLY H . . 4.360 3.869 3.592 4.080 . 0 0 "[ . 1 . 2]" 2
538 1 15 GLY QA 1 19 ARG H . . 4.640 3.999 3.504 4.354 . 0 0 "[ . 1 . 2]" 2
539 1 15 GLY QA 1 21 TYR QD . . 7.000 3.582 3.319 3.811 . 0 0 "[ . 1 . 2]" 2
540 1 15 GLY QA 1 21 TYR QE . . 6.600 2.550 2.116 3.625 . 0 0 "[ . 1 . 2]" 2
541 1 15 GLY QA 1 27 ALA MB . . 5.400 3.451 3.070 3.665 . 0 0 "[ . 1 . 2]" 2
542 1 15 GLY QA 1 32 VAL QG . . 4.990 3.278 2.777 3.745 . 0 0 "[ . 1 . 2]" 2
543 1 15 GLY QA 1 34 ILE HA . . 3.400 2.110 2.036 2.236 . 0 0 "[ . 1 . 2]" 2
544 1 15 GLY QA 1 34 ILE MD . . 6.750 4.987 2.610 5.484 . 0 0 "[ . 1 . 2]" 2
545 1 15 GLY QA 1 35 LYS H . . 3.400 2.492 2.388 2.802 . 0 0 "[ . 1 . 2]" 2
546 1 16 SER H 1 32 VAL QG . . 4.830 3.034 2.108 4.053 . 0 0 "[ . 1 . 2]" 2
547 1 16 SER H 1 35 LYS QB . . 5.270 3.415 3.184 3.924 . 0 0 "[ . 1 . 2]" 2
548 1 16 SER H 1 35 LYS QD . . 5.810 5.018 3.971 5.856 0.046 6 0 "[ . 1 . 2]" 2
549 1 16 SER HA 1 35 LYS QB . . 3.270 2.249 2.096 2.515 . 0 0 "[ . 1 . 2]" 2
550 1 16 SER HA 1 35 LYS QD . . 5.130 3.011 2.287 4.354 . 0 0 "[ . 1 . 2]" 2
551 1 16 SER QB 1 35 LYS QD . . 6.630 3.863 2.441 5.254 . 0 0 "[ . 1 . 2]" 2
552 1 17 ASP H 1 17 ASP QB . . 3.250 2.256 2.152 2.569 . 0 0 "[ . 1 . 2]" 2
553 1 17 ASP H 1 18 GLY QA . . 5.290 4.596 4.444 4.661 . 0 0 "[ . 1 . 2]" 2
554 1 17 ASP H 1 32 VAL QG . . 5.100 2.778 2.060 3.523 . 0 0 "[ . 1 . 2]" 2
555 1 17 ASP H 1 35 LYS QB . . 5.810 4.894 4.792 5.191 . 0 0 "[ . 1 . 2]" 2
556 1 17 ASP QB 1 32 VAL QG . . 5.240 2.486 2.016 3.555 . 0 0 "[ . 1 . 2]" 2
557 1 18 GLY H 1 18 GLY QA . . 2.560 2.253 2.233 2.296 . 0 0 "[ . 1 . 2]" 2
558 1 18 GLY H 1 32 VAL QG . . 6.900 4.767 4.234 5.363 . 0 0 "[ . 1 . 2]" 2
559 1 18 GLY H 1 35 LYS QB . . 5.810 4.467 4.048 4.953 . 0 0 "[ . 1 . 2]" 2
560 1 19 ARG H 1 19 ARG QB . . 2.870 2.317 2.042 2.680 . 0 0 "[ . 1 . 2]" 2
561 1 19 ARG QB 1 20 THR H . . 3.150 3.059 2.692 3.299 0.149 13 0 "[ . 1 . 2]" 2
562 1 19 ARG QB 1 20 THR MG . . 6.750 5.523 4.779 5.857 . 0 0 "[ . 1 . 2]" 2
563 1 19 ARG QB 1 21 TYR QD . . 7.260 4.139 3.146 4.982 . 0 0 "[ . 1 . 2]" 2
564 1 19 ARG QB 1 27 ALA MB . . 6.750 5.695 4.634 6.764 0.014 5 0 "[ . 1 . 2]" 2
565 1 20 THR HA 1 21 TYR QB . . 4.450 4.460 4.154 4.511 0.061 17 0 "[ . 1 . 2]" 2
566 1 20 THR MG 1 21 TYR QB . . 6.750 4.493 4.328 5.048 . 0 0 "[ . 1 . 2]" 2
567 1 20 THR MG 1 39 SER QB . . 4.470 2.359 1.949 3.067 . 0 0 "[ . 1 . 2]" 2
568 1 21 TYR H 1 21 TYR QB . . 3.030 2.598 2.216 2.726 . 0 0 "[ . 1 . 2]" 2
569 1 21 TYR QB 1 22 ALA H . . 3.440 2.383 2.204 2.613 . 0 0 "[ . 1 . 2]" 2
570 1 21 TYR QB 1 23 ASN H . . 3.350 2.989 2.759 3.158 . 0 0 "[ . 1 . 2]" 2
571 1 21 TYR QB 1 26 ILE H . . 5.810 4.794 4.459 4.963 . 0 0 "[ . 1 . 2]" 2
572 1 21 TYR QB 1 26 ILE HB . . 4.250 4.089 2.449 4.400 0.150 13 0 "[ . 1 . 2]" 2
573 1 21 TYR QB 1 26 ILE MG . . 6.180 1.930 1.840 2.364 . 0 0 "[ . 1 . 2]" 2
574 1 21 TYR QB 1 26 ILE QG . . 5.290 3.511 2.525 3.983 . 0 0 "[ . 1 . 2]" 2
575 1 21 TYR QB 1 27 ALA H . . 5.070 3.099 2.833 3.297 . 0 0 "[ . 1 . 2]" 2
576 1 21 TYR QB 1 27 ALA MB . . 5.020 2.288 2.094 2.550 . 0 0 "[ . 1 . 2]" 2
577 1 21 TYR QB 1 30 ASN QD . . 4.870 4.433 3.930 4.903 0.033 3 0 "[ . 1 . 2]" 2
578 1 21 TYR QD 1 30 ASN QB . . 7.500 4.732 3.469 5.453 . 0 0 "[ . 1 . 2]" 2
579 1 21 TYR QD 1 30 ASN QD . . 6.760 3.526 3.093 4.334 . 0 0 "[ . 1 . 2]" 2
580 1 21 TYR QD 1 32 VAL QG . . 7.760 4.814 3.660 5.938 . 0 0 "[ . 1 . 2]" 2
581 1 21 TYR QE 1 30 ASN QB . . 5.310 3.696 2.843 4.332 . 0 0 "[ . 1 . 2]" 2
582 1 21 TYR QE 1 32 VAL QG . . 8.910 3.381 2.150 4.561 . 0 0 "[ . 1 . 2]" 2
583 1 22 ALA MB 1 23 ASN QB . . 6.750 3.989 3.423 4.272 . 0 0 "[ . 1 . 2]" 2
584 1 22 ALA MB 1 23 ASN QD . . 6.560 3.741 3.022 4.772 . 0 0 "[ . 1 . 2]" 2
585 1 22 ALA MB 1 25 CYS QB . . 5.790 5.805 5.703 5.849 0.059 18 0 "[ . 1 . 2]" 2
586 1 23 ASN QB 1 24 SER H . . 3.140 2.186 1.953 2.638 . 0 0 "[ . 1 . 2]" 2
587 1 23 ASN QB 1 24 SER HA . . 4.120 4.362 4.296 4.395 0.275 8 0 "[ . 1 . 2]" 2
588 1 23 ASN QB 1 25 CYS H . . 3.430 2.898 2.600 3.124 . 0 0 "[ . 1 . 2]" 2
589 1 23 ASN QB 1 26 ILE MG . . 5.190 4.218 2.837 5.333 0.143 18 0 "[ . 1 . 2]" 2
590 1 23 ASN QD 1 25 CYS H . . 4.750 3.375 2.514 4.654 . 0 0 "[ . 1 . 2]" 2
591 1 23 ASN QD 1 25 CYS QB . . 6.500 2.604 1.936 4.502 . 0 0 "[ . 1 . 2]" 2
592 1 23 ASN QD 1 26 ILE H . . 5.810 3.185 2.226 5.633 . 0 0 "[ . 1 . 2]" 2
593 1 23 ASN QD 1 26 ILE MG . . 5.650 3.829 2.701 5.099 . 0 0 "[ . 1 . 2]" 2
594 1 24 SER HA 1 28 ARG QG . . 5.810 4.739 4.341 4.847 . 0 0 "[ . 1 . 2]" 2
595 1 25 CYS H 1 25 CYS QB . . 2.700 2.078 2.011 2.117 . 0 0 "[ . 1 . 2]" 2
596 1 25 CYS H 1 28 ARG QG . . 5.010 4.181 3.990 4.273 . 0 0 "[ . 1 . 2]" 2
597 1 25 CYS HA 1 28 ARG QG . . 4.370 2.175 2.065 2.322 . 0 0 "[ . 1 . 2]" 2
598 1 25 CYS QB 1 26 ILE H . . 3.250 2.307 2.194 2.489 . 0 0 "[ . 1 . 2]" 2
599 1 25 CYS QB 1 26 ILE HB . . 4.500 3.832 3.569 4.470 . 0 0 "[ . 1 . 2]" 2
600 1 25 CYS QB 1 28 ARG QG . . 5.330 4.052 3.972 4.133 . 0 0 "[ . 1 . 2]" 2
601 1 25 CYS QB 1 28 ARG QD . . 5.470 4.251 3.887 4.752 . 0 0 "[ . 1 . 2]" 2
602 1 26 ILE H 1 28 ARG QG . . 3.980 4.144 4.076 4.218 0.238 17 0 "[ . 1 . 2]" 2
603 1 26 ILE HA 1 28 ARG QG . . 4.290 4.382 4.327 4.474 0.184 2 0 "[ . 1 . 2]" 2
604 1 26 ILE HA 1 29 CYS QB . . 3.460 2.522 2.386 2.806 . 0 0 "[ . 1 . 2]" 2
605 1 26 ILE HA 1 30 ASN QD . . 5.810 4.580 3.356 5.583 . 0 0 "[ . 1 . 2]" 2
606 1 26 ILE QG 1 30 ASN QD . . 5.020 3.872 2.585 5.074 0.054 18 0 "[ . 1 . 2]" 2
607 1 27 ALA H 1 28 ARG QG . . 5.660 4.230 4.112 4.338 . 0 0 "[ . 1 . 2]" 2
608 1 27 ALA HA 1 32 VAL QG . . 6.900 4.416 3.017 5.789 . 0 0 "[ . 1 . 2]" 2
609 1 27 ALA MB 1 28 ARG QG . . 6.750 4.029 3.823 4.187 . 0 0 "[ . 1 . 2]" 2
610 1 27 ALA MB 1 32 VAL QG . . 7.860 3.928 2.721 4.988 . 0 0 "[ . 1 . 2]" 2
611 1 27 ALA MB 1 34 ILE QG . . 6.750 4.835 3.598 5.419 . 0 0 "[ . 1 . 2]" 2
612 1 28 ARG H 1 28 ARG QG . . 4.000 2.224 2.165 2.329 . 0 0 "[ . 1 . 2]" 2
613 1 28 ARG H 1 32 VAL QG . . 6.900 5.498 4.535 6.439 . 0 0 "[ . 1 . 2]" 2
614 1 28 ARG HA 1 28 ARG QG . . 3.560 3.385 3.362 3.462 . 0 0 "[ . 1 . 2]" 2
615 1 28 ARG HA 1 32 VAL QG . . 6.900 4.332 3.586 4.988 . 0 0 "[ . 1 . 2]" 2
616 1 28 ARG QG 1 29 CYS QB . . 3.930 3.503 3.179 3.950 0.020 1 0 "[ . 1 . 2]" 2
617 1 28 ARG QG 1 34 ILE MG . . 6.750 4.999 4.473 6.688 . 0 0 "[ . 1 . 2]" 2
618 1 29 CYS H 1 29 CYS QB . . 3.160 2.212 2.141 2.325 . 0 0 "[ . 1 . 2]" 2
619 1 29 CYS H 1 30 ASN QB . . 5.950 4.678 4.343 5.075 . 0 0 "[ . 1 . 2]" 2
620 1 29 CYS H 1 30 ASN QD . . 5.960 4.602 3.941 5.998 0.038 19 0 "[ . 1 . 2]" 2
621 1 29 CYS QB 1 30 ASN H . . 3.780 2.763 2.552 3.161 . 0 0 "[ . 1 . 2]" 2
622 1 29 CYS QB 1 30 ASN QD . . 6.010 3.665 2.967 5.313 . 0 0 "[ . 1 . 2]" 2
623 1 30 ASN H 1 30 ASN QB . . 2.770 2.256 2.044 2.526 . 0 0 "[ . 1 . 2]" 2
624 1 30 ASN H 1 30 ASN QD . . 4.970 2.814 2.303 3.891 . 0 0 "[ . 1 . 2]" 2
625 1 30 ASN H 1 31 GLY QA . . 5.810 4.637 4.446 4.731 . 0 0 "[ . 1 . 2]" 2
626 1 30 ASN H 1 32 VAL QG . . 6.900 4.491 3.823 5.387 . 0 0 "[ . 1 . 2]" 2
627 1 30 ASN QB 1 31 GLY H . . 3.850 3.412 3.081 3.841 . 0 0 "[ . 1 . 2]" 2
628 1 30 ASN QB 1 32 VAL H . . 4.320 3.306 2.695 4.001 . 0 0 "[ . 1 . 2]" 2
629 1 30 ASN QB 1 32 VAL QG . . 4.220 2.777 2.143 3.717 . 0 0 "[ . 1 . 2]" 2
630 1 32 VAL QG 1 33 SER H . . 4.870 2.673 1.832 3.528 . 0 0 "[ . 1 . 2]" 2
631 1 32 VAL QG 1 34 ILE H . . 6.900 5.190 4.459 5.586 . 0 0 "[ . 1 . 2]" 2
632 1 32 VAL QG 1 34 ILE MG . . 7.860 4.986 4.141 5.705 . 0 0 "[ . 1 . 2]" 2
633 1 33 SER QB 1 34 ILE MD . . 6.750 5.267 4.602 6.344 . 0 0 "[ . 1 . 2]" 2
634 1 34 ILE H 1 34 ILE QG . . 3.410 2.569 2.055 3.512 0.102 9 0 "[ . 1 . 2]" 2
635 1 34 ILE HA 1 35 LYS QB . . 4.360 4.056 3.976 4.199 . 0 0 "[ . 1 . 2]" 2
636 1 34 ILE QG 1 35 LYS H . . 5.470 4.164 2.927 4.813 . 0 0 "[ . 1 . 2]" 2
637 1 34 ILE QG 1 36 SER H . . 5.810 4.229 2.714 5.327 . 0 0 "[ . 1 . 2]" 2
638 1 34 ILE QG 1 37 GLU QB . . 5.610 5.262 4.509 5.663 0.053 4 0 "[ . 1 . 2]" 2
639 1 34 ILE MD 1 36 SER QB . . 6.750 4.786 3.961 6.661 . 0 0 "[ . 1 . 2]" 2
640 1 35 LYS H 1 35 LYS QB . . 2.790 2.273 2.177 2.368 . 0 0 "[ . 1 . 2]" 2
641 1 35 LYS H 1 35 LYS QD . . 4.930 4.377 3.966 4.652 . 0 0 "[ . 1 . 2]" 2
642 1 35 LYS H 1 36 SER QB . . 5.810 5.149 4.789 5.442 . 0 0 "[ . 1 . 2]" 2
643 1 35 LYS HA 1 35 LYS QD . . 4.310 3.115 2.108 4.216 . 0 0 "[ . 1 . 2]" 2
644 1 35 LYS QB 1 35 LYS QD . . 2.690 2.289 2.165 2.692 0.002 7 0 "[ . 1 . 2]" 2
645 1 35 LYS QB 1 36 SER H . . 3.110 2.601 2.432 2.776 . 0 0 "[ . 1 . 2]" 2
646 1 35 LYS QD 1 36 SER H . . 5.170 4.741 4.303 5.126 . 0 0 "[ . 1 . 2]" 2
647 1 35 LYS QD 1 36 SER QB . . 5.620 4.872 3.791 5.600 . 0 0 "[ . 1 . 2]" 2
648 1 36 SER H 1 36 SER QB . . 3.660 3.189 2.803 3.460 . 0 0 "[ . 1 . 2]" 2
649 1 36 SER HA 1 37 GLU QG . . 5.810 3.996 3.334 5.843 0.033 18 0 "[ . 1 . 2]" 2
650 1 36 SER QB 1 37 GLU H . . 2.990 2.604 2.320 3.011 0.021 2 0 "[ . 1 . 2]" 2
651 1 36 SER QB 1 37 GLU QB . . 5.610 4.592 3.748 5.100 . 0 0 "[ . 1 . 2]" 2
652 1 37 GLU H 1 37 GLU QB . . 2.860 2.627 2.079 2.861 0.001 2 0 "[ . 1 . 2]" 2
653 1 37 GLU H 1 37 GLU QG . . 3.740 2.259 1.880 3.911 0.171 16 0 "[ . 1 . 2]" 2
654 1 37 GLU HA 1 38 GLY QA . . 4.290 4.027 3.995 4.057 . 0 0 "[ . 1 . 2]" 2
655 1 37 GLU QB 1 38 GLY H . . 3.250 2.775 2.533 3.432 0.182 18 0 "[ . 1 . 2]" 2
656 1 38 GLY QA 1 39 SER QB . . 5.010 4.158 3.869 4.393 . 0 0 "[ . 1 . 2]" 2
657 1 39 SER H 1 39 SER QB . . 3.110 2.560 2.278 2.781 . 0 0 "[ . 1 . 2]" 2
658 1 39 SER HA 1 40 CYS QB . . 5.400 4.616 4.469 4.760 . 0 0 "[ . 1 . 2]" 2
659 1 39 SER QB 1 40 CYS H . . 3.840 3.139 2.774 3.457 . 0 0 "[ . 1 . 2]" 2
660 1 40 CYS H 1 40 CYS QB . . 3.190 3.015 2.979 3.067 . 0 0 "[ . 1 . 2]" 2
661 1 40 CYS H 1 41 PRO QD . . 5.260 4.440 4.402 4.463 . 0 0 "[ . 1 . 2]" 2
662 1 40 CYS QB 1 41 PRO QG . . 5.490 3.539 3.400 3.611 . 0 0 "[ . 1 . 2]" 2
663 1 40 CYS QB 1 41 PRO QD . . 3.620 2.073 2.001 2.120 . 0 0 "[ . 1 . 2]" 2
664 1 41 PRO QB 1 43 GLY H . . 5.720 3.184 2.289 5.039 . 0 0 "[ . 1 . 2]" 2
665 1 43 GLY QA 1 44 ILE QG . . 6.620 4.365 3.289 5.650 . 0 0 "[ . 1 . 2]" 2
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