NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
591591 |
2mun   |
25223 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mun
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 9
_Distance_constraint_stats_list.Viol_count 172
_Distance_constraint_stats_list.Viol_total 621.573
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0861
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1105
_Distance_constraint_stats_list.Viol_average_violations_only 0.1446
_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 5 CYS 10.251 0.201 1 0 "[ . 1 . 2 .]"
1 15 CYS 8.986 0.204 25 0 "[ . 1 . 2 .]"
1 18 CYS 5.626 0.202 14 0 "[ . 1 . 2 .]"
1 31 CYS 8.986 0.204 25 0 "[ . 1 . 2 .]"
1 32 CYS 10.251 0.201 1 0 "[ . 1 . 2 .]"
1 41 CYS 5.626 0.202 14 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 5 CYS SG 1 32 CYS SG . . 1.980 2.050 1.979 2.100 0.120 19 0 "[ . 1 . 2 .]" 1
2 1 5 CYS SG 1 32 CYS CB . . 2.900 3.091 3.043 3.101 0.201 1 0 "[ . 1 . 2 .]" 1
3 1 5 CYS CB 1 32 CYS SG . . 2.900 3.049 2.935 3.100 0.200 24 0 "[ . 1 . 2 .]" 1
4 1 15 CYS SG 1 31 CYS SG . . 1.980 1.979 1.978 1.981 0.001 13 0 "[ . 1 . 2 .]" 1
5 1 15 CYS SG 1 31 CYS CB . . 2.900 3.101 3.100 3.104 0.204 25 0 "[ . 1 . 2 .]" 1
6 1 15 CYS CB 1 31 CYS SG . . 2.900 3.058 2.986 3.101 0.201 20 0 "[ . 1 . 2 .]" 1
7 1 18 CYS SG 1 41 CYS SG . . 1.980 1.979 1.978 1.980 . 21 0 "[ . 1 . 2 .]" 1
8 1 18 CYS SG 1 41 CYS CB . . 2.900 3.100 3.085 3.102 0.202 14 0 "[ . 1 . 2 .]" 1
9 1 18 CYS CB 1 41 CYS SG . . 2.900 2.925 2.899 2.967 0.067 25 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 777
_Distance_constraint_stats_list.Viol_count 450
_Distance_constraint_stats_list.Viol_total 81.399
_Distance_constraint_stats_list.Viol_max 0.077
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0072
_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 ALA 0.001 0.001 14 0 "[ . 1 . 2 .]"
1 2 ASP 0.000 0.000 21 0 "[ . 1 . 2 .]"
1 3 ASN 0.003 0.002 10 0 "[ . 1 . 2 .]"
1 4 LYS 0.069 0.015 19 0 "[ . 1 . 2 .]"
1 5 CYS 0.120 0.035 21 0 "[ . 1 . 2 .]"
1 6 GLU 0.427 0.052 19 0 "[ . 1 . 2 .]"
1 7 ASN 0.028 0.017 24 0 "[ . 1 . 2 .]"
1 8 SER 0.023 0.017 24 0 "[ . 1 . 2 .]"
1 9 LEU 0.113 0.017 20 0 "[ . 1 . 2 .]"
1 10 ARG 0.153 0.028 20 0 "[ . 1 . 2 .]"
1 11 ARG 0.018 0.005 24 0 "[ . 1 . 2 .]"
1 12 GLU 1.018 0.077 20 0 "[ . 1 . 2 .]"
1 13 ILE 1.063 0.077 20 0 "[ . 1 . 2 .]"
1 14 ALA 0.004 0.004 20 0 "[ . 1 . 2 .]"
1 15 CYS 0.001 0.001 19 0 "[ . 1 . 2 .]"
1 16 GLY 0.207 0.019 25 0 "[ . 1 . 2 .]"
1 17 GLN 0.010 0.002 13 0 "[ . 1 . 2 .]"
1 18 CYS 0.116 0.013 25 0 "[ . 1 . 2 .]"
1 19 ARG 0.239 0.019 25 0 "[ . 1 . 2 .]"
1 20 ASP 0.002 0.002 19 0 "[ . 1 . 2 .]"
1 21 LYS 0.402 0.042 25 0 "[ . 1 . 2 .]"
1 22 VAL 0.700 0.042 25 0 "[ . 1 . 2 .]"
1 23 LYS 0.102 0.032 5 0 "[ . 1 . 2 .]"
1 24 THR 0.062 0.009 17 0 "[ . 1 . 2 .]"
1 25 ASP 0.056 0.035 17 0 "[ . 1 . 2 .]"
1 26 GLY 0.056 0.035 17 0 "[ . 1 . 2 .]"
1 27 TYR 0.211 0.011 13 0 "[ . 1 . 2 .]"
1 28 PHE 0.182 0.013 25 0 "[ . 1 . 2 .]"
1 29 TYR 0.004 0.003 15 0 "[ . 1 . 2 .]"
1 30 GLU 0.013 0.006 25 0 "[ . 1 . 2 .]"
1 31 CYS 0.045 0.014 25 0 "[ . 1 . 2 .]"
1 32 CYS 0.013 0.003 10 0 "[ . 1 . 2 .]"
1 33 THR 0.021 0.012 25 0 "[ . 1 . 2 .]"
1 34 SER 0.035 0.014 25 0 "[ . 1 . 2 .]"
1 35 ASP 0.010 0.002 6 0 "[ . 1 . 2 .]"
1 36 SER 0.016 0.003 5 0 "[ . 1 . 2 .]"
1 37 THR 0.036 0.011 25 0 "[ . 1 . 2 .]"
1 38 PHE 0.038 0.007 10 0 "[ . 1 . 2 .]"
1 39 LYS 0.035 0.007 10 0 "[ . 1 . 2 .]"
1 40 LYS 0.101 0.043 22 0 "[ . 1 . 2 .]"
1 41 CYS 0.263 0.043 22 0 "[ . 1 . 2 .]"
1 42 GLN 0.011 0.003 24 0 "[ . 1 . 2 .]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 44 LEU 0.003 0.002 22 0 "[ . 1 . 2 .]"
1 45 LEU 0.009 0.002 13 0 "[ . 1 . 2 .]"
1 46 HIS 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 23 LYS H 1 23 LYS HA . . 2.710 2.276 2.274 2.279 . 0 0 "[ . 1 . 2 .]" 2
2 1 37 THR H 1 37 THR HB . . 2.750 2.608 2.522 2.713 . 0 0 "[ . 1 . 2 .]" 2
3 1 43 ASP HA 1 46 HIS H . . 3.670 3.401 3.280 3.566 . 0 0 "[ . 1 . 2 .]" 2
4 1 15 CYS H 1 15 CYS HB2 . . 3.790 2.183 2.149 2.216 . 0 0 "[ . 1 . 2 .]" 2
5 1 15 CYS H 1 15 CYS HB3 . . 3.790 3.490 3.464 3.515 . 0 0 "[ . 1 . 2 .]" 2
6 1 9 LEU H 1 9 LEU HG . . 3.040 2.538 2.392 2.696 . 0 0 "[ . 1 . 2 .]" 2
7 1 38 PHE H 1 38 PHE HB2 . . 3.020 2.314 2.254 2.370 . 0 0 "[ . 1 . 2 .]" 2
8 1 41 CYS H 1 41 CYS HB2 . . 3.190 2.637 2.610 2.725 . 0 0 "[ . 1 . 2 .]" 2
9 1 41 CYS H 1 41 CYS HB3 . . 3.060 2.425 2.371 2.447 . 0 0 "[ . 1 . 2 .]" 2
10 1 5 CYS H 1 5 CYS HB2 . . 3.600 3.023 2.317 3.620 0.020 10 0 "[ . 1 . 2 .]" 2
11 1 5 CYS H 1 5 CYS HB3 . . 3.600 3.066 2.404 3.600 . 0 0 "[ . 1 . 2 .]" 2
12 1 46 HIS H 1 46 HIS HB2 . . 3.650 2.537 2.211 2.924 . 0 0 "[ . 1 . 2 .]" 2
13 1 46 HIS H 1 46 HIS HB3 . . 3.650 2.996 2.402 3.645 . 0 0 "[ . 1 . 2 .]" 2
14 1 24 THR H 1 24 THR HB . . 3.530 2.776 2.713 2.881 . 0 0 "[ . 1 . 2 .]" 2
15 1 24 THR H 1 24 THR MG . . 3.940 3.901 3.879 3.940 . 0 0 "[ . 1 . 2 .]" 2
16 1 33 THR H 1 33 THR HB . . 4.020 3.840 3.679 3.883 . 0 0 "[ . 1 . 2 .]" 2
17 1 38 PHE H 1 38 PHE HB3 . . 3.020 2.788 2.725 2.861 . 0 0 "[ . 1 . 2 .]" 2
18 1 18 CYS H 1 18 CYS HB2 . . 3.220 2.222 2.149 2.326 . 0 0 "[ . 1 . 2 .]" 2
19 1 8 SER HA 1 9 LEU H . . 2.880 2.151 2.139 2.253 . 0 0 "[ . 1 . 2 .]" 2
20 1 11 ARG HA 1 14 ALA H . . 4.130 3.675 3.561 3.811 . 0 0 "[ . 1 . 2 .]" 2
21 1 16 GLY HA3 1 17 GLN H . . 3.150 2.778 2.742 2.805 . 0 0 "[ . 1 . 2 .]" 2
22 1 34 SER HA 1 35 ASP H . . 2.710 2.167 2.137 2.202 . 0 0 "[ . 1 . 2 .]" 2
23 1 22 VAL HA 1 23 LYS H . . 3.490 3.472 3.456 3.486 . 0 0 "[ . 1 . 2 .]" 2
24 1 23 LYS HA 1 24 THR H . . 3.340 2.625 2.537 2.767 . 0 0 "[ . 1 . 2 .]" 2
25 1 24 THR HA 1 25 ASP H . . 2.830 2.142 2.140 2.143 . 0 0 "[ . 1 . 2 .]" 2
26 1 25 ASP HA 1 26 GLY H . . 2.790 2.169 2.145 2.236 . 0 0 "[ . 1 . 2 .]" 2
27 1 19 ARG HA 1 28 PHE H . . 4.330 3.841 3.736 4.040 . 0 0 "[ . 1 . 2 .]" 2
28 1 6 GLU H 1 6 GLU QG . . 3.970 3.511 2.500 4.000 0.030 5 0 "[ . 1 . 2 .]" 2
29 1 6 GLU H 1 6 GLU HB3 . . 3.510 2.797 2.316 3.562 0.052 19 0 "[ . 1 . 2 .]" 2
30 1 7 ASN H 1 7 ASN HB3 . . 4.150 3.157 2.327 3.714 . 0 0 "[ . 1 . 2 .]" 2
31 1 10 ARG H 1 10 ARG QD . . 4.540 4.251 3.726 4.543 0.003 20 0 "[ . 1 . 2 .]" 2
32 1 10 ARG HB2 1 11 ARG H . . 3.260 2.861 2.748 3.060 . 0 0 "[ . 1 . 2 .]" 2
33 1 11 ARG H 1 11 ARG HB2 . . 3.440 2.431 2.205 2.559 . 0 0 "[ . 1 . 2 .]" 2
34 1 11 ARG H 1 11 ARG HB3 . . 3.440 2.626 2.502 2.897 . 0 0 "[ . 1 . 2 .]" 2
35 1 14 ALA H 1 14 ALA MB . . 2.710 2.130 2.040 2.243 . 0 0 "[ . 1 . 2 .]" 2
36 1 17 GLN H 1 17 GLN HG3 . . 3.580 2.389 1.978 2.697 . 0 0 "[ . 1 . 2 .]" 2
37 1 17 GLN H 1 17 GLN HB3 . . 3.600 3.582 3.558 3.594 . 0 0 "[ . 1 . 2 .]" 2
38 1 17 GLN H 1 17 GLN HG2 . . 3.580 3.308 3.013 3.511 . 0 0 "[ . 1 . 2 .]" 2
39 1 17 GLN H 1 17 GLN HB2 . . 2.790 2.442 2.320 2.654 . 0 0 "[ . 1 . 2 .]" 2
40 1 20 ASP H 1 20 ASP QB . . 2.830 2.284 2.190 2.421 . 0 0 "[ . 1 . 2 .]" 2
41 1 12 GLU H 1 13 ILE HB . . 5.030 4.816 4.783 4.929 . 0 0 "[ . 1 . 2 .]" 2
42 1 13 ILE H 1 13 ILE HB . . 2.680 2.558 2.531 2.598 . 0 0 "[ . 1 . 2 .]" 2
43 1 13 ILE H 1 13 ILE MG . . 3.830 3.764 3.763 3.765 . 0 0 "[ . 1 . 2 .]" 2
44 1 23 LYS H 1 23 LYS QE . . 5.500 4.808 3.469 5.504 0.004 13 0 "[ . 1 . 2 .]" 2
45 1 23 LYS H 1 23 LYS QB . . 3.340 3.216 3.175 3.275 . 0 0 "[ . 1 . 2 .]" 2
46 1 22 VAL HB 1 23 LYS H . . 3.150 2.942 2.882 3.011 . 0 0 "[ . 1 . 2 .]" 2
47 1 27 TYR H 1 27 TYR HB3 . . 2.980 2.679 2.600 2.741 . 0 0 "[ . 1 . 2 .]" 2
48 1 29 TYR H 1 29 TYR HB3 . . 3.640 2.511 2.370 2.785 . 0 0 "[ . 1 . 2 .]" 2
49 1 4 LYS H 1 4 LYS HB3 . . 3.900 3.617 3.554 3.699 . 0 0 "[ . 1 . 2 .]" 2
50 1 4 LYS H 1 4 LYS HB2 . . 3.110 2.539 2.281 2.669 . 0 0 "[ . 1 . 2 .]" 2
51 1 31 CYS H 1 31 CYS HB2 . . 3.750 3.589 3.586 3.599 . 0 0 "[ . 1 . 2 .]" 2
52 1 32 CYS H 1 32 CYS HB3 . . 3.670 3.486 3.438 3.512 . 0 0 "[ . 1 . 2 .]" 2
53 1 32 CYS H 1 32 CYS HB2 . . 3.230 2.175 2.123 2.212 . 0 0 "[ . 1 . 2 .]" 2
54 1 35 ASP H 1 35 ASP HB2 . . 3.760 2.712 2.230 3.596 . 0 0 "[ . 1 . 2 .]" 2
55 1 35 ASP H 1 35 ASP HB3 . . 3.760 2.966 2.476 3.591 . 0 0 "[ . 1 . 2 .]" 2
56 1 37 THR H 1 37 THR MG . . 4.000 3.765 3.751 3.795 . 0 0 "[ . 1 . 2 .]" 2
57 1 39 LYS H 1 39 LYS QB . . 2.590 2.377 2.042 2.527 . 0 0 "[ . 1 . 2 .]" 2
58 1 39 LYS H 1 40 LYS QD . . 4.450 4.077 3.833 4.455 0.005 22 0 "[ . 1 . 2 .]" 2
59 1 43 ASP H 1 43 ASP HB3 . . 2.900 2.647 2.392 2.864 . 0 0 "[ . 1 . 2 .]" 2
60 1 43 ASP H 1 43 ASP HB2 . . 3.360 2.453 2.268 2.704 . 0 0 "[ . 1 . 2 .]" 2
61 1 1 ALA HA 1 2 ASP H . . 3.050 2.387 2.141 2.774 . 0 0 "[ . 1 . 2 .]" 2
62 1 2 ASP H 1 2 ASP HB3 . . 3.880 3.510 2.552 3.806 . 0 0 "[ . 1 . 2 .]" 2
63 1 2 ASP H 1 2 ASP HB2 . . 3.880 2.798 2.319 3.776 . 0 0 "[ . 1 . 2 .]" 2
64 1 1 ALA MB 1 2 ASP H . . 3.780 2.932 2.063 3.720 . 0 0 "[ . 1 . 2 .]" 2
65 1 2 ASP H 1 3 ASN H . . 4.590 4.417 3.910 4.589 . 0 0 "[ . 1 . 2 .]" 2
66 1 3 ASN H 1 3 ASN HB2 . . 3.480 2.248 2.162 2.691 . 0 0 "[ . 1 . 2 .]" 2
67 1 3 ASN H 1 3 ASN HB3 . . 3.480 3.234 2.569 3.482 0.002 10 0 "[ . 1 . 2 .]" 2
68 1 1 ALA MB 1 3 ASN H . . 5.500 5.115 4.091 5.501 0.001 14 0 "[ . 1 . 2 .]" 2
69 1 3 ASN H 1 33 THR MG . . 4.410 3.883 3.317 4.408 . 0 0 "[ . 1 . 2 .]" 2
70 1 2 ASP HA 1 3 ASN H . . 2.690 2.215 2.139 2.472 . 0 0 "[ . 1 . 2 .]" 2
71 1 4 LYS H 1 33 THR MG . . 3.740 2.910 2.287 3.702 . 0 0 "[ . 1 . 2 .]" 2
72 1 5 CYS H 1 6 GLU H . . 3.150 2.635 2.340 2.803 . 0 0 "[ . 1 . 2 .]" 2
73 1 5 CYS H 1 7 ASN H . . 4.630 4.276 4.114 4.449 . 0 0 "[ . 1 . 2 .]" 2
74 1 4 LYS H 1 5 CYS HA . . 5.500 5.050 4.740 5.380 . 0 0 "[ . 1 . 2 .]" 2
75 1 4 LYS H 1 33 THR HB . . 5.500 5.068 4.425 5.451 . 0 0 "[ . 1 . 2 .]" 2
76 1 3 ASN HA 1 4 LYS H . . 2.680 2.169 2.138 2.280 . 0 0 "[ . 1 . 2 .]" 2
77 1 4 LYS H 1 33 THR HA . . 4.000 3.687 2.746 4.000 . 0 0 "[ . 1 . 2 .]" 2
78 1 4 LYS H 1 6 GLU H . . 4.240 3.970 3.558 4.255 0.015 19 0 "[ . 1 . 2 .]" 2
79 1 3 ASN H 1 4 LYS H . . 4.690 4.325 4.077 4.476 . 0 0 "[ . 1 . 2 .]" 2
80 1 5 CYS H 1 32 CYS HB3 . . 3.460 3.200 2.878 3.454 . 0 0 "[ . 1 . 2 .]" 2
81 1 3 ASN HA 1 5 CYS H . . 4.030 3.631 3.309 3.954 . 0 0 "[ . 1 . 2 .]" 2
82 1 5 CYS H 1 32 CYS HB2 . . 5.500 4.846 4.603 5.026 . 0 0 "[ . 1 . 2 .]" 2
83 1 4 LYS HB3 1 5 CYS H . . 4.760 3.835 3.543 4.033 . 0 0 "[ . 1 . 2 .]" 2
84 1 4 LYS HB2 1 5 CYS H . . 3.950 2.788 2.449 3.038 . 0 0 "[ . 1 . 2 .]" 2
85 1 6 GLU H 1 6 GLU HB2 . . 3.510 2.530 2.122 3.561 0.051 21 0 "[ . 1 . 2 .]" 2
86 1 5 CYS HB3 1 6 GLU H . . 4.340 3.947 3.500 4.180 . 0 0 "[ . 1 . 2 .]" 2
87 1 5 CYS HB2 1 6 GLU H . . 4.340 3.456 2.660 4.066 . 0 0 "[ . 1 . 2 .]" 2
88 1 4 LYS HA 1 6 GLU H . . 4.340 3.896 3.617 4.177 . 0 0 "[ . 1 . 2 .]" 2
89 1 6 GLU H 1 7 ASN H . . 3.380 2.679 2.507 2.763 . 0 0 "[ . 1 . 2 .]" 2
90 1 6 GLU HB2 1 7 ASN H . . 4.110 3.763 3.028 4.113 0.003 10 0 "[ . 1 . 2 .]" 2
91 1 6 GLU HB3 1 7 ASN H . . 4.110 3.192 2.788 3.876 . 0 0 "[ . 1 . 2 .]" 2
92 1 4 LYS HA 1 7 ASN H . . 4.050 3.669 3.356 3.974 . 0 0 "[ . 1 . 2 .]" 2
93 1 7 ASN H 1 8 SER H . . 2.820 2.114 1.894 2.302 . 0 0 "[ . 1 . 2 .]" 2
94 1 6 GLU HA 1 8 SER H . . 4.810 4.536 4.263 4.702 . 0 0 "[ . 1 . 2 .]" 2
95 1 7 ASN HB2 1 8 SER H . . 4.700 3.469 2.891 4.174 . 0 0 "[ . 1 . 2 .]" 2
96 1 7 ASN HB3 1 8 SER H . . 4.700 3.537 2.889 4.165 . 0 0 "[ . 1 . 2 .]" 2
97 1 8 SER H 1 11 ARG HB2 . . 5.180 4.888 4.302 5.179 . 0 0 "[ . 1 . 2 .]" 2
98 1 8 SER H 1 9 LEU H . . 4.480 4.274 4.023 4.380 . 0 0 "[ . 1 . 2 .]" 2
99 1 5 CYS HA 1 8 SER H . . 3.700 2.913 2.771 3.130 . 0 0 "[ . 1 . 2 .]" 2
100 1 9 LEU H 1 9 LEU MD1 . . 4.250 3.919 3.829 4.004 . 0 0 "[ . 1 . 2 .]" 2
101 1 8 SER HB2 1 9 LEU H . . 5.050 4.407 3.822 4.540 . 0 0 "[ . 1 . 2 .]" 2
102 1 8 SER HB3 1 9 LEU H . . 5.050 3.946 3.495 4.502 . 0 0 "[ . 1 . 2 .]" 2
103 1 9 LEU MD2 1 10 ARG H . . 4.220 3.725 3.689 3.768 . 0 0 "[ . 1 . 2 .]" 2
104 1 8 SER HB2 1 10 ARG H . . 5.500 4.764 3.621 5.150 . 0 0 "[ . 1 . 2 .]" 2
105 1 8 SER HB3 1 10 ARG H . . 5.500 3.835 3.151 5.024 . 0 0 "[ . 1 . 2 .]" 2
106 1 8 SER HA 1 10 ARG H . . 4.950 3.701 3.516 3.787 . 0 0 "[ . 1 . 2 .]" 2
107 1 9 LEU H 1 10 ARG H . . 3.340 2.598 2.547 2.727 . 0 0 "[ . 1 . 2 .]" 2
108 1 11 ARG H 1 12 GLU H . . 3.180 2.644 2.564 2.697 . 0 0 "[ . 1 . 2 .]" 2
109 1 10 ARG H 1 11 ARG H . . 3.430 2.605 2.535 2.696 . 0 0 "[ . 1 . 2 .]" 2
110 1 11 ARG H 1 11 ARG HG2 . . 4.900 4.609 4.583 4.623 . 0 0 "[ . 1 . 2 .]" 2
111 1 8 SER HB2 1 11 ARG H . . 4.850 3.597 2.467 4.272 . 0 0 "[ . 1 . 2 .]" 2
112 1 8 SER HB3 1 11 ARG H . . 4.850 2.650 2.094 4.208 . 0 0 "[ . 1 . 2 .]" 2
113 1 9 LEU MD1 1 12 GLU H . . 5.300 5.004 4.822 5.134 . 0 0 "[ . 1 . 2 .]" 2
114 1 10 ARG HA 1 12 GLU H . . 4.860 4.257 4.165 4.424 . 0 0 "[ . 1 . 2 .]" 2
115 1 5 CYS HA 1 12 GLU H . . 3.830 3.605 3.173 3.831 0.001 16 0 "[ . 1 . 2 .]" 2
116 1 8 SER H 1 12 GLU H . . 5.500 5.180 4.846 5.500 0.000 24 0 "[ . 1 . 2 .]" 2
117 1 12 GLU H 1 13 ILE H . . 3.070 2.647 2.596 2.768 . 0 0 "[ . 1 . 2 .]" 2
118 1 11 ARG H 1 13 ILE H . . 4.850 4.366 4.279 4.426 . 0 0 "[ . 1 . 2 .]" 2
119 1 12 GLU HB3 1 13 ILE H . . 2.920 2.413 2.344 2.481 . 0 0 "[ . 1 . 2 .]" 2
120 1 10 ARG HA 1 13 ILE H . . 4.060 3.557 3.493 3.695 . 0 0 "[ . 1 . 2 .]" 2
121 1 9 LEU HA 1 13 ILE H . . 4.610 4.155 3.941 4.420 . 0 0 "[ . 1 . 2 .]" 2
122 1 13 ILE H 1 14 ALA MB . . 4.360 4.301 4.180 4.364 0.004 20 0 "[ . 1 . 2 .]" 2
123 1 13 ILE H 1 13 ILE HG12 . . 3.600 3.486 3.321 3.604 0.004 22 0 "[ . 1 . 2 .]" 2
124 1 13 ILE MG 1 14 ALA H . . 3.910 3.604 3.475 3.706 . 0 0 "[ . 1 . 2 .]" 2
125 1 13 ILE MD 1 14 ALA H . . 4.700 4.514 4.419 4.645 . 0 0 "[ . 1 . 2 .]" 2
126 1 13 ILE HG12 1 14 ALA H . . 5.210 5.119 4.992 5.210 . 0 0 "[ . 1 . 2 .]" 2
127 1 13 ILE HB 1 14 ALA H . . 3.140 2.783 2.661 2.943 . 0 0 "[ . 1 . 2 .]" 2
128 1 13 ILE HG13 1 14 ALA H . . 4.410 4.266 4.201 4.324 . 0 0 "[ . 1 . 2 .]" 2
129 1 10 ARG HA 1 14 ALA H . . 4.500 3.988 3.651 4.199 . 0 0 "[ . 1 . 2 .]" 2
130 1 14 ALA H 1 16 GLY H . . 4.480 3.993 3.780 4.101 . 0 0 "[ . 1 . 2 .]" 2
131 1 13 ILE H 1 14 ALA H . . 3.380 2.673 2.595 2.765 . 0 0 "[ . 1 . 2 .]" 2
132 1 11 ARG HA 1 15 CYS H . . 4.320 4.135 3.866 4.307 . 0 0 "[ . 1 . 2 .]" 2
133 1 15 CYS H 1 38 PHE QE . . 4.410 3.885 3.054 4.206 . 0 0 "[ . 1 . 2 .]" 2
134 1 14 ALA H 1 15 CYS H . . 3.380 2.609 2.554 2.681 . 0 0 "[ . 1 . 2 .]" 2
135 1 12 GLU HA 1 16 GLY H . . 4.230 4.092 3.823 4.231 0.001 5 0 "[ . 1 . 2 .]" 2
136 1 13 ILE HA 1 16 GLY H . . 3.810 3.560 3.435 3.744 . 0 0 "[ . 1 . 2 .]" 2
137 1 15 CYS HB2 1 16 GLY H . . 4.160 2.895 2.781 3.027 . 0 0 "[ . 1 . 2 .]" 2
138 1 15 CYS HB3 1 16 GLY H . . 4.160 3.367 3.164 3.560 . 0 0 "[ . 1 . 2 .]" 2
139 1 14 ALA MB 1 16 GLY H . . 4.670 4.476 4.268 4.593 . 0 0 "[ . 1 . 2 .]" 2
140 1 16 GLY H 1 28 PHE QD . . 4.520 3.028 2.793 3.327 . 0 0 "[ . 1 . 2 .]" 2
141 1 16 GLY H 1 28 PHE QE . . 3.720 2.819 2.575 3.127 . 0 0 "[ . 1 . 2 .]" 2
142 1 16 GLY H 1 17 GLN H . . 3.210 2.840 2.811 2.867 . 0 0 "[ . 1 . 2 .]" 2
143 1 15 CYS H 1 16 GLY H . . 3.520 2.599 2.485 2.766 . 0 0 "[ . 1 . 2 .]" 2
144 1 16 GLY H 1 19 ARG H . . 5.020 4.696 4.638 4.729 . 0 0 "[ . 1 . 2 .]" 2
145 1 17 GLN H 1 45 LEU MD1 . . 4.770 4.715 4.492 4.772 0.002 13 0 "[ . 1 . 2 .]" 2
146 1 14 ALA MB 1 17 GLN H . . 5.080 4.836 4.720 4.942 . 0 0 "[ . 1 . 2 .]" 2
147 1 15 CYS H 1 17 GLN H . . 4.490 4.357 4.227 4.485 . 0 0 "[ . 1 . 2 .]" 2
148 1 17 GLN H 1 18 CYS H . . 3.240 2.779 2.741 2.884 . 0 0 "[ . 1 . 2 .]" 2
149 1 16 GLY HA2 1 18 CYS H . . 5.480 4.949 4.627 5.032 . 0 0 "[ . 1 . 2 .]" 2
150 1 18 CYS H 1 19 ARG HA . . 5.500 5.267 5.142 5.280 . 0 0 "[ . 1 . 2 .]" 2
151 1 18 CYS H 1 18 CYS HB3 . . 3.620 3.514 3.461 3.560 . 0 0 "[ . 1 . 2 .]" 2
152 1 17 GLN HB2 1 18 CYS H . . 3.300 2.324 2.218 2.499 . 0 0 "[ . 1 . 2 .]" 2
153 1 17 GLN HB3 1 18 CYS H . . 3.840 3.301 3.095 3.492 . 0 0 "[ . 1 . 2 .]" 2
154 1 18 CYS H 1 45 LEU MD1 . . 4.010 3.740 3.564 3.968 . 0 0 "[ . 1 . 2 .]" 2
155 1 18 CYS H 1 45 LEU MD2 . . 4.250 3.394 3.002 3.658 . 0 0 "[ . 1 . 2 .]" 2
156 1 15 CYS HA 1 18 CYS H . . 4.330 3.594 3.509 3.701 . 0 0 "[ . 1 . 2 .]" 2
157 1 18 CYS H 1 27 TYR QE . . 5.040 4.957 4.745 5.042 0.002 13 0 "[ . 1 . 2 .]" 2
158 1 18 CYS H 1 19 ARG H . . 3.600 2.694 2.550 2.704 . 0 0 "[ . 1 . 2 .]" 2
159 1 18 CYS HB3 1 19 ARG H . . 3.970 3.521 3.440 3.649 . 0 0 "[ . 1 . 2 .]" 2
160 1 19 ARG H 1 28 PHE QB . . 4.940 4.371 4.301 4.539 . 0 0 "[ . 1 . 2 .]" 2
161 1 19 ARG H 1 20 ASP QB . . 5.380 4.586 4.504 4.790 . 0 0 "[ . 1 . 2 .]" 2
162 1 19 ARG H 1 27 TYR HB3 . . 5.500 5.042 4.694 5.436 . 0 0 "[ . 1 . 2 .]" 2
163 1 19 ARG H 1 19 ARG HB3 . . 3.090 2.477 2.405 2.542 . 0 0 "[ . 1 . 2 .]" 2
164 1 19 ARG H 1 19 ARG HB2 . . 3.090 2.568 2.502 2.645 . 0 0 "[ . 1 . 2 .]" 2
165 1 19 ARG H 1 22 VAL MG2 . . 4.880 4.484 4.372 4.627 . 0 0 "[ . 1 . 2 .]" 2
166 1 17 GLN H 1 19 ARG H . . 4.970 3.873 3.851 3.941 . 0 0 "[ . 1 . 2 .]" 2
167 1 19 ARG H 1 27 TYR QD . . 4.290 3.753 3.663 3.839 . 0 0 "[ . 1 . 2 .]" 2
168 1 19 ARG H 1 27 TYR QE . . 4.840 4.504 4.371 4.605 . 0 0 "[ . 1 . 2 .]" 2
169 1 19 ARG H 1 20 ASP H . . 3.550 2.716 2.689 2.737 . 0 0 "[ . 1 . 2 .]" 2
170 1 20 ASP H 1 22 VAL H . . 4.760 4.273 4.167 4.434 . 0 0 "[ . 1 . 2 .]" 2
171 1 20 ASP H 1 21 LYS H . . 3.290 2.504 2.375 2.593 . 0 0 "[ . 1 . 2 .]" 2
172 1 17 GLN HA 1 20 ASP H . . 3.950 3.655 3.589 3.816 . 0 0 "[ . 1 . 2 .]" 2
173 1 18 CYS HA 1 20 ASP H . . 5.080 4.066 4.036 4.109 . 0 0 "[ . 1 . 2 .]" 2
174 1 18 CYS HB2 1 20 ASP H . . 5.500 5.274 5.220 5.312 . 0 0 "[ . 1 . 2 .]" 2
175 1 19 ARG HB3 1 20 ASP H . . 3.220 2.730 2.711 2.754 . 0 0 "[ . 1 . 2 .]" 2
176 1 19 ARG HB2 1 20 ASP H . . 4.100 3.986 3.948 4.030 . 0 0 "[ . 1 . 2 .]" 2
177 1 20 ASP H 1 21 LYS HB2 . . 4.720 4.546 4.300 4.722 0.002 19 0 "[ . 1 . 2 .]" 2
178 1 21 LYS H 1 21 LYS HB3 . . 3.680 3.575 3.513 3.593 . 0 0 "[ . 1 . 2 .]" 2
179 1 21 LYS H 1 21 LYS HB2 . . 3.140 2.468 2.216 2.644 . 0 0 "[ . 1 . 2 .]" 2
180 1 21 LYS H 1 22 VAL MG2 . . 4.380 4.335 4.152 4.382 0.002 23 0 "[ . 1 . 2 .]" 2
181 1 20 ASP QB 1 21 LYS H . . 3.520 2.403 2.222 2.792 . 0 0 "[ . 1 . 2 .]" 2
182 1 18 CYS HA 1 21 LYS H . . 3.810 3.326 3.044 3.446 . 0 0 "[ . 1 . 2 .]" 2
183 1 19 ARG H 1 21 LYS H . . 5.330 4.338 4.024 4.496 . 0 0 "[ . 1 . 2 .]" 2
184 1 22 VAL H 1 22 VAL HB . . 2.990 2.616 2.555 2.688 . 0 0 "[ . 1 . 2 .]" 2
185 1 22 VAL H 1 22 VAL MG1 . . 3.860 3.762 3.757 3.765 . 0 0 "[ . 1 . 2 .]" 2
186 1 22 VAL H 1 22 VAL MG2 . . 2.910 2.011 1.924 2.133 . 0 0 "[ . 1 . 2 .]" 2
187 1 21 LYS HB2 1 22 VAL H . . 3.220 2.246 2.123 2.435 . 0 0 "[ . 1 . 2 .]" 2
188 1 21 LYS HB3 1 22 VAL H . . 3.360 3.187 2.867 3.362 0.002 19 0 "[ . 1 . 2 .]" 2
189 1 18 CYS HB3 1 22 VAL H . . 4.310 4.109 4.020 4.216 . 0 0 "[ . 1 . 2 .]" 2
190 1 21 LYS H 1 22 VAL H . . 2.920 2.922 2.760 2.962 0.042 25 0 "[ . 1 . 2 .]" 2
191 1 22 VAL MG1 1 23 LYS H . . 3.820 3.768 3.705 3.827 0.007 7 0 "[ . 1 . 2 .]" 2
192 1 22 VAL MG2 1 23 LYS H . . 4.060 3.914 3.858 3.972 . 0 0 "[ . 1 . 2 .]" 2
193 1 23 LYS H 1 24 THR H . . 3.470 2.885 2.741 3.011 . 0 0 "[ . 1 . 2 .]" 2
194 1 23 LYS QB 1 24 THR H . . 3.930 3.902 3.863 3.910 . 0 0 "[ . 1 . 2 .]" 2
195 1 22 VAL MG1 1 24 THR H . . 3.420 3.354 3.188 3.421 0.001 18 0 "[ . 1 . 2 .]" 2
196 1 24 THR H 1 27 TYR HB2 . . 4.140 3.793 3.458 4.142 0.002 10 0 "[ . 1 . 2 .]" 2
197 1 24 THR H 1 27 TYR HB3 . . 4.670 4.000 3.896 4.198 . 0 0 "[ . 1 . 2 .]" 2
198 1 19 ARG HA 1 24 THR H . . 5.100 3.962 3.852 4.212 . 0 0 "[ . 1 . 2 .]" 2
199 1 24 THR H 1 27 TYR QD . . 4.920 4.904 4.580 4.929 0.009 17 0 "[ . 1 . 2 .]" 2
200 1 24 THR MG 1 25 ASP H . . 3.520 2.803 2.682 2.934 . 0 0 "[ . 1 . 2 .]" 2
201 1 24 THR H 1 25 ASP H . . 4.400 4.122 4.073 4.199 . 0 0 "[ . 1 . 2 .]" 2
202 1 24 THR MG 1 27 TYR H . . 4.350 3.077 2.718 3.568 . 0 0 "[ . 1 . 2 .]" 2
203 1 27 TYR H 1 27 TYR HB2 . . 2.920 2.390 2.340 2.461 . 0 0 "[ . 1 . 2 .]" 2
204 1 27 TYR H 1 28 PHE QB . . 4.880 4.495 4.394 4.540 . 0 0 "[ . 1 . 2 .]" 2
205 1 25 ASP HA 1 27 TYR H . . 3.820 3.374 3.208 3.470 . 0 0 "[ . 1 . 2 .]" 2
206 1 27 TYR H 1 27 TYR QD . . 4.220 4.154 4.127 4.183 . 0 0 "[ . 1 . 2 .]" 2
207 1 24 THR H 1 27 TYR H . . 4.990 4.828 4.705 4.952 . 0 0 "[ . 1 . 2 .]" 2
208 1 26 GLY H 1 27 TYR H . . 3.160 2.607 2.363 2.703 . 0 0 "[ . 1 . 2 .]" 2
209 1 27 TYR H 1 28 PHE H . . 3.540 2.807 2.707 2.851 . 0 0 "[ . 1 . 2 .]" 2
210 1 19 ARG HG3 1 28 PHE H . . 4.750 2.600 1.948 2.971 . 0 0 "[ . 1 . 2 .]" 2
211 1 19 ARG HB2 1 28 PHE H . . 4.560 3.331 3.083 3.634 . 0 0 "[ . 1 . 2 .]" 2
212 1 19 ARG HG2 1 28 PHE H . . 4.750 4.327 3.541 4.700 . 0 0 "[ . 1 . 2 .]" 2
213 1 27 TYR HB3 1 28 PHE H . . 3.320 2.446 2.311 2.537 . 0 0 "[ . 1 . 2 .]" 2
214 1 28 PHE H 1 28 PHE QB . . 2.710 2.247 2.239 2.249 . 0 0 "[ . 1 . 2 .]" 2
215 1 27 TYR HB2 1 28 PHE H . . 3.930 3.723 3.603 3.804 . 0 0 "[ . 1 . 2 .]" 2
216 1 28 PHE H 1 28 PHE QD . . 4.900 4.171 4.161 4.177 . 0 0 "[ . 1 . 2 .]" 2
217 1 27 TYR QD 1 28 PHE H . . 4.340 3.546 3.456 3.719 . 0 0 "[ . 1 . 2 .]" 2
218 1 27 TYR HB3 1 29 TYR H . . 5.280 5.031 4.910 5.154 . 0 0 "[ . 1 . 2 .]" 2
219 1 28 PHE QB 1 29 TYR H . . 2.740 2.514 2.357 2.591 . 0 0 "[ . 1 . 2 .]" 2
220 1 29 TYR H 1 30 GLU H . . 3.280 2.463 2.452 2.549 . 0 0 "[ . 1 . 2 .]" 2
221 1 28 PHE QD 1 29 TYR H . . 3.800 2.980 2.697 3.165 . 0 0 "[ . 1 . 2 .]" 2
222 1 28 PHE H 1 29 TYR H . . 3.330 2.829 2.707 2.919 . 0 0 "[ . 1 . 2 .]" 2
223 1 30 GLU H 1 30 GLU HB2 . . 3.050 2.604 2.486 2.700 . 0 0 "[ . 1 . 2 .]" 2
224 1 30 GLU H 1 30 GLU HB3 . . 3.050 2.490 2.374 2.605 . 0 0 "[ . 1 . 2 .]" 2
225 1 30 GLU H 1 30 GLU HG3 . . 4.810 4.458 4.345 4.532 . 0 0 "[ . 1 . 2 .]" 2
226 1 27 TYR HA 1 30 GLU H . . 3.710 3.254 3.218 3.371 . 0 0 "[ . 1 . 2 .]" 2
227 1 30 GLU H 1 37 THR MG . . 5.380 5.248 4.943 5.328 . 0 0 "[ . 1 . 2 .]" 2
228 1 30 GLU H 1 33 THR H . . 5.390 5.008 4.689 5.119 . 0 0 "[ . 1 . 2 .]" 2
229 1 29 TYR QD 1 30 GLU H . . 4.300 4.023 3.621 4.303 0.003 15 0 "[ . 1 . 2 .]" 2
230 1 30 GLU H 1 31 CYS H . . 3.340 2.649 2.585 2.737 . 0 0 "[ . 1 . 2 .]" 2
231 1 28 PHE H 1 30 GLU H . . 4.670 3.889 3.858 3.907 . 0 0 "[ . 1 . 2 .]" 2
232 1 28 PHE QB 1 31 CYS H . . 5.500 5.361 5.261 5.377 . 0 0 "[ . 1 . 2 .]" 2
233 1 28 PHE HA 1 31 CYS H . . 4.020 3.888 3.788 3.916 . 0 0 "[ . 1 . 2 .]" 2
234 1 31 CYS H 1 31 CYS HB3 . . 3.750 2.622 2.512 2.674 . 0 0 "[ . 1 . 2 .]" 2
235 1 30 GLU HB2 1 31 CYS H . . 3.920 3.721 3.633 3.806 . 0 0 "[ . 1 . 2 .]" 2
236 1 30 GLU HB3 1 31 CYS H . . 3.920 2.319 2.279 2.449 . 0 0 "[ . 1 . 2 .]" 2
237 1 31 CYS H 1 37 THR MG . . 3.730 3.506 3.329 3.613 . 0 0 "[ . 1 . 2 .]" 2
238 1 27 TYR QD 1 31 CYS H . . 4.680 4.416 4.180 4.571 . 0 0 "[ . 1 . 2 .]" 2
239 1 31 CYS H 1 33 THR H . . 4.830 4.167 3.988 4.238 . 0 0 "[ . 1 . 2 .]" 2
240 1 31 CYS H 1 32 CYS H . . 3.530 2.602 2.472 2.648 . 0 0 "[ . 1 . 2 .]" 2
241 1 22 VAL H 1 23 LYS H . . 2.880 2.735 2.701 2.763 . 0 0 "[ . 1 . 2 .]" 2
242 1 29 TYR HA 1 32 CYS H . . 3.880 3.560 3.428 3.626 . 0 0 "[ . 1 . 2 .]" 2
243 1 31 CYS HB3 1 32 CYS H . . 4.370 4.105 4.048 4.120 . 0 0 "[ . 1 . 2 .]" 2
244 1 32 CYS H 1 33 THR MG . . 4.840 4.280 4.051 4.466 . 0 0 "[ . 1 . 2 .]" 2
245 1 30 GLU H 1 32 CYS H . . 4.720 3.697 3.669 3.718 . 0 0 "[ . 1 . 2 .]" 2
246 1 32 CYS H 1 33 THR H . . 3.410 2.608 2.462 2.658 . 0 0 "[ . 1 . 2 .]" 2
247 1 33 THR H 1 33 THR MG . . 3.320 2.829 2.562 2.968 . 0 0 "[ . 1 . 2 .]" 2
248 1 30 GLU HA 1 33 THR H . . 4.110 3.754 3.642 3.970 . 0 0 "[ . 1 . 2 .]" 2
249 1 32 CYS HB3 1 33 THR H . . 4.460 3.634 3.541 3.709 . 0 0 "[ . 1 . 2 .]" 2
250 1 32 CYS HB2 1 33 THR H . . 4.070 3.185 3.125 3.266 . 0 0 "[ . 1 . 2 .]" 2
251 1 33 THR H 1 34 SER HA . . 4.850 4.654 4.596 4.839 . 0 0 "[ . 1 . 2 .]" 2
252 1 31 CYS HA 1 34 SER H . . 3.790 3.007 2.840 3.175 . 0 0 "[ . 1 . 2 .]" 2
253 1 33 THR MG 1 34 SER H . . 4.410 4.210 3.866 4.310 . 0 0 "[ . 1 . 2 .]" 2
254 1 33 THR H 1 34 SER H . . 2.680 2.183 1.892 2.264 . 0 0 "[ . 1 . 2 .]" 2
255 1 34 SER H 1 37 THR H . . 5.430 5.260 4.990 5.397 . 0 0 "[ . 1 . 2 .]" 2
256 1 31 CYS H 1 34 SER H . . 4.990 4.830 4.450 4.935 . 0 0 "[ . 1 . 2 .]" 2
257 1 34 SER H 1 35 ASP H . . 4.440 3.992 3.874 4.297 . 0 0 "[ . 1 . 2 .]" 2
258 1 34 SER HB2 1 35 ASP H . . 4.570 4.418 3.650 4.550 . 0 0 "[ . 1 . 2 .]" 2
259 1 34 SER HB3 1 35 ASP H . . 4.570 4.183 3.772 4.472 . 0 0 "[ . 1 . 2 .]" 2
260 1 36 SER H 1 37 THR HB . . 5.500 4.882 4.726 5.077 . 0 0 "[ . 1 . 2 .]" 2
261 1 35 ASP HB2 1 36 SER H . . 3.960 3.491 2.651 3.958 . 0 0 "[ . 1 . 2 .]" 2
262 1 35 ASP HB3 1 36 SER H . . 3.960 3.441 2.726 3.961 0.001 7 0 "[ . 1 . 2 .]" 2
263 1 34 SER HA 1 36 SER H . . 3.960 3.595 3.466 3.785 . 0 0 "[ . 1 . 2 .]" 2
264 1 35 ASP H 1 36 SER H . . 3.310 2.595 2.574 2.702 . 0 0 "[ . 1 . 2 .]" 2
265 1 31 CYS HA 1 37 THR H . . 4.560 4.470 4.125 4.563 0.003 16 0 "[ . 1 . 2 .]" 2
266 1 35 ASP HA 1 37 THR H . . 4.990 4.602 3.954 4.792 . 0 0 "[ . 1 . 2 .]" 2
267 1 34 SER HA 1 37 THR H . . 4.600 4.222 4.035 4.601 0.001 15 0 "[ . 1 . 2 .]" 2
268 1 37 THR H 1 39 LYS H . . 4.750 4.285 4.211 4.359 . 0 0 "[ . 1 . 2 .]" 2
269 1 36 SER H 1 37 THR H . . 2.980 2.652 2.501 2.869 . 0 0 "[ . 1 . 2 .]" 2
270 1 35 ASP H 1 37 THR H . . 4.840 4.330 3.970 4.493 . 0 0 "[ . 1 . 2 .]" 2
271 1 38 PHE H 1 39 LYS QB . . 4.640 4.522 4.172 4.647 0.007 10 0 "[ . 1 . 2 .]" 2
272 1 37 THR MG 1 38 PHE H . . 3.970 3.794 3.701 3.920 . 0 0 "[ . 1 . 2 .]" 2
273 1 31 CYS HA 1 38 PHE H . . 4.160 4.081 3.655 4.163 0.003 13 0 "[ . 1 . 2 .]" 2
274 1 37 THR HB 1 38 PHE H . . 3.150 2.968 2.904 2.986 . 0 0 "[ . 1 . 2 .]" 2
275 1 36 SER HA 1 38 PHE H . . 4.570 3.963 3.917 4.141 . 0 0 "[ . 1 . 2 .]" 2
276 1 35 ASP HA 1 38 PHE H . . 3.680 3.575 3.257 3.681 0.001 4 0 "[ . 1 . 2 .]" 2
277 1 38 PHE H 1 38 PHE QD . . 4.380 4.053 3.982 4.103 . 0 0 "[ . 1 . 2 .]" 2
278 1 38 PHE H 1 40 LYS H . . 4.590 4.525 4.058 4.592 0.002 15 0 "[ . 1 . 2 .]" 2
279 1 37 THR H 1 38 PHE H . . 3.050 2.667 2.348 2.737 . 0 0 "[ . 1 . 2 .]" 2
280 1 35 ASP H 1 38 PHE H . . 5.270 4.951 4.821 5.043 . 0 0 "[ . 1 . 2 .]" 2
281 1 39 LYS H 1 40 LYS HB2 . . 5.350 4.834 4.718 5.200 . 0 0 "[ . 1 . 2 .]" 2
282 1 39 LYS H 1 42 GLN HB2 . . 5.500 4.947 4.770 5.148 . 0 0 "[ . 1 . 2 .]" 2
283 1 37 THR HA 1 39 LYS H . . 4.660 4.098 4.053 4.411 . 0 0 "[ . 1 . 2 .]" 2
284 1 36 SER HA 1 39 LYS H . . 3.900 3.478 3.374 3.826 . 0 0 "[ . 1 . 2 .]" 2
285 1 35 ASP HA 1 39 LYS H . . 5.030 4.982 4.622 5.032 0.002 6 0 "[ . 1 . 2 .]" 2
286 1 38 PHE QD 1 39 LYS H . . 4.310 4.289 4.018 4.313 0.003 24 0 "[ . 1 . 2 .]" 2
287 1 38 PHE H 1 39 LYS H . . 3.250 2.564 2.517 2.676 . 0 0 "[ . 1 . 2 .]" 2
288 1 40 LYS H 1 40 LYS HB2 . . 2.690 2.289 2.191 2.716 0.026 22 0 "[ . 1 . 2 .]" 2
289 1 40 LYS H 1 40 LYS QD . . 3.290 2.094 1.946 2.711 . 0 0 "[ . 1 . 2 .]" 2
290 1 40 LYS H 1 40 LYS QG . . 3.530 3.299 1.976 3.523 . 0 0 "[ . 1 . 2 .]" 2
291 1 40 LYS H 1 40 LYS QE . . 5.500 3.879 2.405 4.562 . 0 0 "[ . 1 . 2 .]" 2
292 1 37 THR MG 1 40 LYS H . . 5.070 4.524 4.310 4.621 . 0 0 "[ . 1 . 2 .]" 2
293 1 40 LYS H 1 41 CYS HB3 . . 4.940 4.802 4.614 4.890 . 0 0 "[ . 1 . 2 .]" 2
294 1 37 THR HA 1 40 LYS H . . 4.030 3.728 3.556 3.808 . 0 0 "[ . 1 . 2 .]" 2
295 1 36 SER HA 1 40 LYS H . . 5.360 5.337 5.129 5.363 0.003 5 0 "[ . 1 . 2 .]" 2
296 1 40 LYS H 1 42 GLN H . . 4.390 4.075 3.810 4.232 . 0 0 "[ . 1 . 2 .]" 2
297 1 39 LYS H 1 40 LYS H . . 3.140 2.890 2.684 2.931 . 0 0 "[ . 1 . 2 .]" 2
298 1 40 LYS H 1 41 CYS H . . 3.320 2.758 2.570 2.860 . 0 0 "[ . 1 . 2 .]" 2
299 1 40 LYS HB2 1 41 CYS H . . 3.150 2.595 2.399 2.851 . 0 0 "[ . 1 . 2 .]" 2
300 1 40 LYS QD 1 41 CYS H . . 4.520 4.120 3.851 4.563 0.043 22 0 "[ . 1 . 2 .]" 2
301 1 37 THR MG 1 41 CYS H . . 4.740 4.047 3.904 4.246 . 0 0 "[ . 1 . 2 .]" 2
302 1 38 PHE HA 1 41 CYS H . . 3.560 3.414 3.234 3.533 . 0 0 "[ . 1 . 2 .]" 2
303 1 38 PHE QD 1 41 CYS H . . 5.500 5.312 5.016 5.460 . 0 0 "[ . 1 . 2 .]" 2
304 1 42 GLN H 1 42 GLN HB2 . . 3.000 2.246 2.203 2.344 . 0 0 "[ . 1 . 2 .]" 2
305 1 42 GLN H 1 42 GLN QG . . 2.790 2.689 2.449 2.793 0.003 24 0 "[ . 1 . 2 .]" 2
306 1 42 GLN H 1 45 LEU MD1 . . 5.270 4.942 4.468 5.181 . 0 0 "[ . 1 . 2 .]" 2
307 1 41 CYS HB3 1 42 GLN H . . 3.370 2.741 2.589 2.908 . 0 0 "[ . 1 . 2 .]" 2
308 1 41 CYS HB2 1 42 GLN H . . 4.110 4.018 3.933 4.112 0.002 10 0 "[ . 1 . 2 .]" 2
309 1 40 LYS HA 1 42 GLN H . . 4.580 4.287 4.002 4.505 . 0 0 "[ . 1 . 2 .]" 2
310 1 38 PHE QD 1 42 GLN H . . 4.960 4.604 4.179 4.812 . 0 0 "[ . 1 . 2 .]" 2
311 1 41 CYS H 1 42 GLN H . . 3.150 2.707 2.515 2.780 . 0 0 "[ . 1 . 2 .]" 2
312 1 42 GLN HB2 1 43 ASP H . . 3.160 2.901 2.778 2.972 . 0 0 "[ . 1 . 2 .]" 2
313 1 43 ASP H 1 44 LEU HG . . 4.210 3.952 3.743 4.191 . 0 0 "[ . 1 . 2 .]" 2
314 1 40 LYS HA 1 43 ASP H . . 3.840 3.537 3.357 3.707 . 0 0 "[ . 1 . 2 .]" 2
315 1 43 ASP H 1 45 LEU H . . 4.470 4.350 4.302 4.405 . 0 0 "[ . 1 . 2 .]" 2
316 1 43 ASP H 1 44 LEU H . . 3.090 2.562 2.526 2.601 . 0 0 "[ . 1 . 2 .]" 2
317 1 42 GLN H 1 43 ASP H . . 3.240 2.687 2.555 2.775 . 0 0 "[ . 1 . 2 .]" 2
318 1 41 CYS H 1 43 ASP H . . 4.700 4.214 4.112 4.367 . 0 0 "[ . 1 . 2 .]" 2
319 1 44 LEU H 1 44 LEU HB3 . . 3.650 3.580 3.568 3.587 . 0 0 "[ . 1 . 2 .]" 2
320 1 44 LEU H 1 44 LEU HB2 . . 3.090 2.642 2.545 2.723 . 0 0 "[ . 1 . 2 .]" 2
321 1 43 ASP HB3 1 44 LEU H . . 3.620 2.649 2.558 2.843 . 0 0 "[ . 1 . 2 .]" 2
322 1 41 CYS HA 1 44 LEU H . . 4.060 3.293 3.190 3.466 . 0 0 "[ . 1 . 2 .]" 2
323 1 45 LEU H 1 45 LEU HG . . 2.880 2.199 2.054 2.366 . 0 0 "[ . 1 . 2 .]" 2
324 1 45 LEU H 1 45 LEU HB2 . . 3.350 2.532 2.427 2.675 . 0 0 "[ . 1 . 2 .]" 2
325 1 45 LEU H 1 45 LEU MD1 . . 3.720 3.589 3.291 3.717 . 0 0 "[ . 1 . 2 .]" 2
326 1 45 LEU H 1 45 LEU MD2 . . 3.820 3.230 2.772 3.531 . 0 0 "[ . 1 . 2 .]" 2
327 1 44 LEU MD1 1 45 LEU H . . 4.340 4.273 4.173 4.340 . 0 0 "[ . 1 . 2 .]" 2
328 1 44 LEU HB2 1 45 LEU H . . 3.230 2.320 2.309 2.347 . 0 0 "[ . 1 . 2 .]" 2
329 1 44 LEU HB3 1 45 LEU H . . 3.770 3.554 3.438 3.669 . 0 0 "[ . 1 . 2 .]" 2
330 1 42 GLN HA 1 45 LEU H . . 3.920 3.771 3.619 3.898 . 0 0 "[ . 1 . 2 .]" 2
331 1 43 ASP HA 1 45 LEU H . . 4.750 4.678 4.604 4.750 . 0 0 "[ . 1 . 2 .]" 2
332 1 44 LEU H 1 45 LEU H . . 3.190 2.805 2.668 2.885 . 0 0 "[ . 1 . 2 .]" 2
333 1 45 LEU HG 1 46 HIS H . . 4.720 4.353 4.117 4.553 . 0 0 "[ . 1 . 2 .]" 2
334 1 44 LEU HB2 1 46 HIS H . . 4.620 4.592 4.560 4.616 . 0 0 "[ . 1 . 2 .]" 2
335 1 45 LEU HB3 1 46 HIS H . . 4.220 3.957 3.861 4.075 . 0 0 "[ . 1 . 2 .]" 2
336 1 45 LEU HB2 1 46 HIS H . . 4.610 2.941 2.907 2.967 . 0 0 "[ . 1 . 2 .]" 2
337 1 45 LEU MD2 1 46 HIS H . . 5.170 4.675 4.482 4.847 . 0 0 "[ . 1 . 2 .]" 2
338 1 44 LEU H 1 46 HIS H . . 4.760 3.839 3.737 3.907 . 0 0 "[ . 1 . 2 .]" 2
339 1 45 LEU H 1 46 HIS H . . 2.700 2.568 2.485 2.643 . 0 0 "[ . 1 . 2 .]" 2
340 1 7 ASN H 1 7 ASN HB2 . . 4.150 2.746 2.298 3.690 . 0 0 "[ . 1 . 2 .]" 2
341 1 13 ILE MG 1 17 GLN HE22 . . 4.350 3.920 2.849 4.340 . 0 0 "[ . 1 . 2 .]" 2
342 1 13 ILE MG 1 17 GLN HE21 . . 4.350 2.935 2.161 3.805 . 0 0 "[ . 1 . 2 .]" 2
343 1 38 PHE QD 1 42 GLN HE22 . . 5.500 3.910 2.803 5.199 . 0 0 "[ . 1 . 2 .]" 2
344 1 38 PHE QE 1 42 GLN HE22 . . 5.500 3.580 3.079 4.148 . 0 0 "[ . 1 . 2 .]" 2
345 1 38 PHE QD 1 42 GLN HE21 . . 5.500 3.251 1.949 4.663 . 0 0 "[ . 1 . 2 .]" 2
346 1 38 PHE QE 1 42 GLN HE21 . . 5.500 3.075 1.949 3.984 . 0 0 "[ . 1 . 2 .]" 2
347 1 45 LEU MD1 1 46 HIS H . . 4.910 4.746 4.521 4.853 . 0 0 "[ . 1 . 2 .]" 2
348 1 44 LEU HB3 1 46 HIS H . . 5.500 5.329 5.227 5.454 . 0 0 "[ . 1 . 2 .]" 2
349 1 8 SER H 1 11 ARG HB3 . . 5.180 4.045 3.511 4.365 . 0 0 "[ . 1 . 2 .]" 2
350 1 13 ILE MG 1 15 CYS H . . 5.370 5.171 5.026 5.347 . 0 0 "[ . 1 . 2 .]" 2
351 1 17 GLN H 1 18 CYS HB2 . . 5.240 4.613 4.545 4.743 . 0 0 "[ . 1 . 2 .]" 2
352 1 9 LEU H 1 9 LEU MD2 . . 4.350 3.101 3.046 3.201 . 0 0 "[ . 1 . 2 .]" 2
353 1 13 ILE H 1 13 ILE MD . . 3.780 3.319 3.187 3.587 . 0 0 "[ . 1 . 2 .]" 2
354 1 44 LEU H 1 44 LEU MD2 . . 3.840 2.863 2.678 3.023 . 0 0 "[ . 1 . 2 .]" 2
355 1 42 GLN HB3 1 43 ASP H . . 4.440 3.488 3.335 3.652 . 0 0 "[ . 1 . 2 .]" 2
356 1 11 ARG H 1 11 ARG HG3 . . 4.740 4.456 4.419 4.509 . 0 0 "[ . 1 . 2 .]" 2
357 1 18 CYS HB2 1 19 ARG H . . 3.650 2.999 2.917 3.058 . 0 0 "[ . 1 . 2 .]" 2
358 1 13 ILE H 1 13 ILE HG13 . . 2.980 2.050 1.959 2.118 . 0 0 "[ . 1 . 2 .]" 2
359 1 12 GLU H 1 12 GLU HB3 . . 3.130 2.579 2.347 2.792 . 0 0 "[ . 1 . 2 .]" 2
360 1 45 LEU H 1 45 LEU HB3 . . 3.770 3.588 3.578 3.599 . 0 0 "[ . 1 . 2 .]" 2
361 1 5 CYS H 1 33 THR MG . . 5.030 4.349 3.946 4.895 . 0 0 "[ . 1 . 2 .]" 2
362 1 4 LYS HB2 1 6 GLU H . . 5.430 4.955 4.750 5.288 . 0 0 "[ . 1 . 2 .]" 2
363 1 4 LYS H 1 7 ASN H . . 5.500 5.382 5.198 5.502 0.002 21 0 "[ . 1 . 2 .]" 2
364 1 2 ASP H 1 33 THR MG . . 5.500 3.565 2.709 4.408 . 0 0 "[ . 1 . 2 .]" 2
365 1 4 LYS H 1 4 LYS HD3 . . 4.380 4.084 3.490 4.378 . 0 0 "[ . 1 . 2 .]" 2
366 1 4 LYS H 1 4 LYS HD2 . . 4.380 3.682 2.198 4.380 . 5 0 "[ . 1 . 2 .]" 2
367 1 41 CYS H 1 44 LEU HG . . 4.600 4.453 4.276 4.602 0.002 22 0 "[ . 1 . 2 .]" 2
368 1 8 SER H 1 11 ARG H . . 5.400 5.044 4.677 5.230 . 0 0 "[ . 1 . 2 .]" 2
369 1 4 LYS H 1 32 CYS HB3 . . 3.710 3.612 3.182 3.711 0.001 15 0 "[ . 1 . 2 .]" 2
370 1 9 LEU H 1 9 LEU HB3 . . 2.920 2.385 2.303 2.454 . 0 0 "[ . 1 . 2 .]" 2
371 1 11 ARG HG2 1 12 GLU H . . 5.500 4.738 4.505 4.969 . 0 0 "[ . 1 . 2 .]" 2
372 1 18 CYS H 1 19 ARG HB2 . . 5.500 5.078 4.842 5.175 . 0 0 "[ . 1 . 2 .]" 2
373 1 22 VAL MG1 1 27 TYR H . . 5.500 5.502 5.495 5.509 0.009 17 0 "[ . 1 . 2 .]" 2
374 1 29 TYR H 1 31 CYS H . . 5.500 4.481 4.340 4.565 . 0 0 "[ . 1 . 2 .]" 2
375 1 44 LEU H 1 45 LEU HB2 . . 5.500 5.007 4.746 5.213 . 0 0 "[ . 1 . 2 .]" 2
376 1 12 GLU H 1 12 GLU HB2 . . 3.720 2.514 2.313 2.752 . 0 0 "[ . 1 . 2 .]" 2
377 1 9 LEU HG 1 10 ARG H . . 4.150 2.007 1.981 2.110 . 0 0 "[ . 1 . 2 .]" 2
378 1 10 ARG H 1 10 ARG HB3 . . 3.910 3.482 3.447 3.549 . 0 0 "[ . 1 . 2 .]" 2
379 1 14 ALA MB 1 18 CYS H . . 5.500 4.896 4.764 5.068 . 0 0 "[ . 1 . 2 .]" 2
380 1 15 CYS H 1 16 GLY HA3 . . 5.500 4.865 4.750 5.014 . 0 0 "[ . 1 . 2 .]" 2
381 1 41 CYS H 1 42 GLN HA . . 5.500 5.293 5.122 5.352 . 0 0 "[ . 1 . 2 .]" 2
382 1 41 CYS H 1 42 GLN QG . . 5.500 4.801 4.418 5.048 . 0 0 "[ . 1 . 2 .]" 2
383 1 9 LEU HA 1 9 LEU MD1 . . 3.580 3.549 3.480 3.581 0.001 17 0 "[ . 1 . 2 .]" 2
384 1 9 LEU HA 1 9 LEU MD2 . . 4.190 4.086 4.062 4.112 . 0 0 "[ . 1 . 2 .]" 2
385 1 9 LEU HB2 1 9 LEU MD1 . . 3.350 2.036 1.980 2.139 . 0 0 "[ . 1 . 2 .]" 2
386 1 9 LEU HB2 1 9 LEU MD2 . . 3.520 2.666 2.615 2.723 . 0 0 "[ . 1 . 2 .]" 2
387 1 9 LEU HB3 1 9 LEU MD2 . . 3.550 2.105 1.976 2.185 . 0 0 "[ . 1 . 2 .]" 2
388 1 10 ARG HA 1 10 ARG QG . . 3.070 2.219 2.152 2.288 . 0 0 "[ . 1 . 2 .]" 2
389 1 11 ARG HA 1 11 ARG HG3 . . 3.390 2.786 2.583 2.960 . 0 0 "[ . 1 . 2 .]" 2
390 1 11 ARG HA 1 11 ARG HG2 . . 3.960 3.760 3.652 3.818 . 0 0 "[ . 1 . 2 .]" 2
391 1 11 ARG HA 1 11 ARG HD3 . . 4.730 2.405 2.019 3.162 . 0 0 "[ . 1 . 2 .]" 2
392 1 5 CYS HA 1 11 ARG HG2 . . 3.980 2.973 2.003 3.509 . 0 0 "[ . 1 . 2 .]" 2
393 1 11 ARG HA 1 11 ARG HD2 . . 4.730 3.330 2.278 3.704 . 0 0 "[ . 1 . 2 .]" 2
394 1 13 ILE HA 1 13 ILE MG . . 3.280 2.329 2.297 2.398 . 0 0 "[ . 1 . 2 .]" 2
395 1 13 ILE HA 1 13 ILE HG13 . . 3.630 2.840 2.732 3.020 . 0 0 "[ . 1 . 2 .]" 2
396 1 13 ILE HA 1 13 ILE HG12 . . 3.430 2.686 2.506 2.771 . 0 0 "[ . 1 . 2 .]" 2
397 1 13 ILE HA 1 13 ILE MD . . 4.080 3.877 3.816 3.884 . 0 0 "[ . 1 . 2 .]" 2
398 1 13 ILE HB 1 13 ILE MD . . 3.310 2.270 2.159 2.396 . 0 0 "[ . 1 . 2 .]" 2
399 1 13 ILE HG13 1 13 ILE MG . . 3.350 3.178 3.156 3.203 . 0 0 "[ . 1 . 2 .]" 2
400 1 13 ILE MD 1 13 ILE MG . . 2.460 2.155 1.951 2.321 . 0 0 "[ . 1 . 2 .]" 2
401 1 13 ILE HG12 1 13 ILE MG . . 3.500 2.279 2.158 2.402 . 0 0 "[ . 1 . 2 .]" 2
402 1 17 GLN HA 1 17 GLN HG2 . . 3.540 2.420 2.263 2.739 . 0 0 "[ . 1 . 2 .]" 2
403 1 17 GLN HA 1 17 GLN HG3 . . 3.540 3.205 2.947 3.392 . 0 0 "[ . 1 . 2 .]" 2
404 1 19 ARG HA 1 19 ARG HG2 . . 3.810 3.052 2.685 3.225 . 0 0 "[ . 1 . 2 .]" 2
405 1 18 CYS HB2 1 19 ARG HA . . 5.240 4.672 4.522 4.773 . 0 0 "[ . 1 . 2 .]" 2
406 1 21 LYS HA 1 21 LYS HG2 . . 3.920 2.693 2.360 2.945 . 0 0 "[ . 1 . 2 .]" 2
407 1 21 LYS HA 1 21 LYS QD . . 4.140 2.857 1.993 4.125 . 0 0 "[ . 1 . 2 .]" 2
408 1 21 LYS HA 1 21 LYS HG3 . . 3.920 3.624 2.890 3.819 . 0 0 "[ . 1 . 2 .]" 2
409 1 21 LYS HB3 1 21 LYS QD . . 3.890 2.253 2.047 2.671 . 0 0 "[ . 1 . 2 .]" 2
410 1 22 VAL HA 1 22 VAL MG1 . . 3.360 2.285 2.232 2.333 . 0 0 "[ . 1 . 2 .]" 2
411 1 22 VAL HA 1 22 VAL MG2 . . 3.490 2.406 2.358 2.434 . 0 0 "[ . 1 . 2 .]" 2
412 1 23 LYS HA 1 23 LYS HG2 . . 3.930 2.463 2.230 2.928 . 0 0 "[ . 1 . 2 .]" 2
413 1 23 LYS HA 1 23 LYS HG3 . . 3.930 3.271 2.527 3.730 . 0 0 "[ . 1 . 2 .]" 2
414 1 23 LYS HA 1 23 LYS HD2 . . 4.650 4.005 2.008 4.679 0.029 13 0 "[ . 1 . 2 .]" 2
415 1 23 LYS HA 1 23 LYS HD3 . . 4.650 3.779 1.998 4.620 . 0 0 "[ . 1 . 2 .]" 2
416 1 24 THR HA 1 24 THR MG . . 3.160 2.341 2.317 2.396 . 0 0 "[ . 1 . 2 .]" 2
417 1 19 ARG HA 1 27 TYR HB3 . . 4.050 2.613 2.294 2.983 . 0 0 "[ . 1 . 2 .]" 2
418 1 30 GLU HA 1 30 GLU HG2 . . 4.150 3.436 2.774 3.825 . 0 0 "[ . 1 . 2 .]" 2
419 1 30 GLU HA 1 30 GLU HG3 . . 4.150 2.765 2.437 3.308 . 0 0 "[ . 1 . 2 .]" 2
420 1 33 THR HA 1 33 THR MG . . 3.370 2.372 2.297 2.483 . 0 0 "[ . 1 . 2 .]" 2
421 1 37 THR HA 1 37 THR MG . . 3.590 2.301 2.193 2.387 . 0 0 "[ . 1 . 2 .]" 2
422 1 39 LYS HA 1 39 LYS HG2 . . 3.880 2.525 2.171 3.636 . 0 0 "[ . 1 . 2 .]" 2
423 1 39 LYS HA 1 39 LYS HG3 . . 3.880 3.134 2.152 3.846 . 0 0 "[ . 1 . 2 .]" 2
424 1 40 LYS HA 1 40 LYS QG . . 3.410 2.304 2.160 3.180 . 0 0 "[ . 1 . 2 .]" 2
425 1 40 LYS HB2 1 40 LYS QD . . 3.650 2.293 2.071 3.468 . 0 0 "[ . 1 . 2 .]" 2
426 1 40 LYS HB3 1 40 LYS QD . . 3.840 3.270 3.007 3.409 . 0 0 "[ . 1 . 2 .]" 2
427 1 42 GLN HA 1 42 GLN QG . . 3.420 2.338 2.123 2.879 . 0 0 "[ . 1 . 2 .]" 2
428 1 44 LEU HA 1 44 LEU MD2 . . 3.390 2.166 1.968 2.319 . 0 0 "[ . 1 . 2 .]" 2
429 1 44 LEU HA 1 44 LEU MD1 . . 3.970 3.867 3.828 3.913 . 0 0 "[ . 1 . 2 .]" 2
430 1 44 LEU HB2 1 44 LEU MD1 . . 3.580 2.320 2.232 2.426 . 0 0 "[ . 1 . 2 .]" 2
431 1 45 LEU HA 1 45 LEU MD2 . . 2.960 2.092 1.961 2.358 . 0 0 "[ . 1 . 2 .]" 2
432 1 45 LEU HB3 1 45 LEU MD1 . . 3.620 2.355 2.204 2.529 . 0 0 "[ . 1 . 2 .]" 2
433 1 45 LEU HB2 1 45 LEU MD1 . . 3.560 2.332 2.231 2.449 . 0 0 "[ . 1 . 2 .]" 2
434 1 45 LEU HA 1 45 LEU MD1 . . 4.140 3.878 3.827 3.948 . 0 0 "[ . 1 . 2 .]" 2
435 1 45 LEU HB2 1 45 LEU MD2 . . 3.450 3.182 3.158 3.194 . 0 0 "[ . 1 . 2 .]" 2
436 1 3 ASN HA 1 33 THR MG . . 3.280 2.279 1.921 2.774 . 0 0 "[ . 1 . 2 .]" 2
437 1 4 LYS HB3 1 4 LYS HD2 . . 3.760 3.032 2.102 3.763 0.003 23 0 "[ . 1 . 2 .]" 2
438 1 4 LYS HA 1 4 LYS HG2 . . 4.170 3.067 2.797 3.441 . 0 0 "[ . 1 . 2 .]" 2
439 1 4 LYS HB3 1 4 LYS HD3 . . 3.760 3.296 2.322 3.733 . 0 0 "[ . 1 . 2 .]" 2
440 1 4 LYS HA 1 4 LYS HD3 . . 4.620 3.717 2.408 4.619 . 0 0 "[ . 1 . 2 .]" 2
441 1 4 LYS HA 1 4 LYS HD2 . . 4.620 3.011 2.012 4.367 . 0 0 "[ . 1 . 2 .]" 2
442 1 4 LYS HB2 1 4 LYS HE3 . . 4.800 4.061 3.331 4.800 . 0 0 "[ . 1 . 2 .]" 2
443 1 4 LYS HB2 1 4 LYS HE2 . . 4.800 4.333 3.384 4.803 0.003 10 0 "[ . 1 . 2 .]" 2
444 1 4 LYS HA 1 4 LYS HG3 . . 4.170 3.441 2.406 3.851 . 0 0 "[ . 1 . 2 .]" 2
445 1 5 CYS HA 1 12 GLU HB2 . . 4.250 3.777 3.158 4.240 . 0 0 "[ . 1 . 2 .]" 2
446 1 5 CYS HA 1 11 ARG HG3 . . 4.280 3.708 2.847 4.266 . 0 0 "[ . 1 . 2 .]" 2
447 1 6 GLU HA 1 6 GLU QG . . 3.560 2.717 2.198 3.439 . 0 0 "[ . 1 . 2 .]" 2
448 1 6 GLU QG 1 7 ASN H . . 4.800 3.867 2.057 4.734 . 0 0 "[ . 1 . 2 .]" 2
449 1 8 SER HB2 1 11 ARG HB2 . . 4.840 2.995 2.251 3.803 . 0 0 "[ . 1 . 2 .]" 2
450 1 8 SER HB2 1 11 ARG HB3 . . 4.840 2.997 2.106 4.840 . 0 0 "[ . 1 . 2 .]" 2
451 1 8 SER HB3 1 11 ARG HB2 . . 4.840 2.552 2.114 3.549 . 0 0 "[ . 1 . 2 .]" 2
452 1 8 SER HB3 1 11 ARG HB3 . . 4.840 2.755 2.008 4.005 . 0 0 "[ . 1 . 2 .]" 2
453 1 9 LEU HA 1 12 GLU HB3 . . 3.160 3.143 2.995 3.174 0.014 20 0 "[ . 1 . 2 .]" 2
454 1 9 LEU H 1 9 LEU HB2 . . 3.690 3.572 3.549 3.587 . 0 0 "[ . 1 . 2 .]" 2
455 1 10 ARG H 1 10 ARG HB2 . . 3.700 2.177 2.139 2.286 . 0 0 "[ . 1 . 2 .]" 2
456 1 10 ARG H 1 10 ARG QG . . 4.530 2.897 2.642 3.056 . 0 0 "[ . 1 . 2 .]" 2
457 1 10 ARG HA 1 13 ILE MD . . 3.820 2.648 2.362 3.110 . 0 0 "[ . 1 . 2 .]" 2
458 1 10 ARG HA 1 10 ARG QD . . 4.730 3.882 2.781 4.093 . 0 0 "[ . 1 . 2 .]" 2
459 1 11 ARG HA 1 38 PHE QE . . 3.700 3.455 2.936 3.701 0.001 11 0 "[ . 1 . 2 .]" 2
460 1 11 ARG HG2 1 38 PHE QE . . 5.280 4.983 4.495 5.280 0.000 3 0 "[ . 1 . 2 .]" 2
461 1 11 ARG HD2 1 38 PHE HZ . . 4.320 3.986 3.076 4.321 0.001 4 0 "[ . 1 . 2 .]" 2
462 1 11 ARG HD3 1 38 PHE HZ . . 4.320 3.435 3.010 4.321 0.001 1 0 "[ . 1 . 2 .]" 2
463 1 12 GLU HB2 1 12 GLU QG . . 2.650 2.309 2.139 2.482 . 0 0 "[ . 1 . 2 .]" 2
464 1 12 GLU HB2 1 13 ILE H . . 4.390 3.691 3.542 3.847 . 0 0 "[ . 1 . 2 .]" 2
465 1 10 ARG HA 1 13 ILE HB . . 3.750 2.903 2.697 3.014 . 0 0 "[ . 1 . 2 .]" 2
466 1 10 ARG QG 1 13 ILE MG . . 5.170 4.885 4.797 4.946 . 0 0 "[ . 1 . 2 .]" 2
467 1 10 ARG QG 1 13 ILE HB . . 4.320 4.315 4.260 4.348 0.028 20 0 "[ . 1 . 2 .]" 2
468 1 13 ILE MG 1 17 GLN H . . 5.170 4.352 4.080 4.594 . 0 0 "[ . 1 . 2 .]" 2
469 1 14 ALA MB 1 45 LEU MD1 . . 3.460 2.708 2.474 2.970 . 0 0 "[ . 1 . 2 .]" 2
470 1 14 ALA HA 1 17 GLN HB2 . . 4.410 3.585 3.212 4.008 . 0 0 "[ . 1 . 2 .]" 2
471 1 11 ARG HA 1 14 ALA MB . . 3.880 2.640 2.520 2.754 . 0 0 "[ . 1 . 2 .]" 2
472 1 14 ALA MB 1 38 PHE QE . . 3.540 2.552 2.267 2.889 . 0 0 "[ . 1 . 2 .]" 2
473 1 14 ALA MB 1 15 CYS H . . 4.010 2.587 2.390 2.699 . 0 0 "[ . 1 . 2 .]" 2
474 1 15 CYS HA 1 18 CYS HB2 . . 3.510 2.760 2.666 3.004 . 0 0 "[ . 1 . 2 .]" 2
475 1 15 CYS HA 1 18 CYS HB3 . . 4.540 4.220 4.072 4.523 . 0 0 "[ . 1 . 2 .]" 2
476 1 15 CYS HA 1 38 PHE QE . . 4.910 4.186 3.429 4.700 . 0 0 "[ . 1 . 2 .]" 2
477 1 15 CYS HA 1 19 ARG H . . 4.530 3.947 3.851 4.136 . 0 0 "[ . 1 . 2 .]" 2
478 1 31 CYS HB2 1 32 CYS H . . 4.370 3.889 3.856 3.958 . 0 0 "[ . 1 . 2 .]" 2
479 1 16 GLY HA2 1 19 ARG HB3 . . 3.980 2.773 2.492 2.858 . 0 0 "[ . 1 . 2 .]" 2
480 1 16 GLY HA2 1 19 ARG HB2 . . 4.400 3.225 2.868 3.360 . 0 0 "[ . 1 . 2 .]" 2
481 1 17 GLN HA 1 20 ASP QB . . 3.730 3.447 3.256 3.603 . 0 0 "[ . 1 . 2 .]" 2
482 1 13 ILE MG 1 17 GLN HG3 . . 4.440 3.276 2.949 3.586 . 0 0 "[ . 1 . 2 .]" 2
483 1 13 ILE MG 1 17 GLN HG2 . . 4.440 4.304 4.015 4.441 0.001 23 0 "[ . 1 . 2 .]" 2
484 1 18 CYS HA 1 22 VAL H . . 4.380 3.122 3.014 3.409 . 0 0 "[ . 1 . 2 .]" 2
485 1 18 CYS HA 1 45 LEU MD2 . . 3.940 3.606 3.326 3.869 . 0 0 "[ . 1 . 2 .]" 2
486 1 18 CYS HA 1 22 VAL MG2 . . 4.740 2.977 2.722 3.454 . 0 0 "[ . 1 . 2 .]" 2
487 1 18 CYS HA 1 21 LYS HG2 . . 4.620 4.203 3.505 4.623 0.003 22 0 "[ . 1 . 2 .]" 2
488 1 18 CYS HA 1 21 LYS HB2 . . 3.420 2.428 2.152 2.557 . 0 0 "[ . 1 . 2 .]" 2
489 1 19 ARG HA 1 19 ARG HG3 . . 3.810 2.738 2.653 3.008 . 0 0 "[ . 1 . 2 .]" 2
490 1 19 ARG HA 1 22 VAL HB . . 4.220 3.442 3.358 3.528 . 0 0 "[ . 1 . 2 .]" 2
491 1 19 ARG HA 1 22 VAL MG2 . . 4.320 3.942 3.567 4.126 . 0 0 "[ . 1 . 2 .]" 2
492 1 20 ASP QB 1 21 LYS HA . . 4.210 3.925 3.798 4.171 . 0 0 "[ . 1 . 2 .]" 2
493 1 22 VAL MG2 1 27 TYR QE . . 4.210 2.827 2.561 3.032 . 0 0 "[ . 1 . 2 .]" 2
494 1 21 LYS H 1 22 VAL HA . . 5.500 5.453 5.313 5.484 . 0 0 "[ . 1 . 2 .]" 2
495 1 22 VAL HA 1 24 THR H . . 5.500 5.127 4.838 5.308 . 0 0 "[ . 1 . 2 .]" 2
496 1 22 VAL MG2 1 44 LEU HG . . 4.420 4.226 4.014 4.413 . 0 0 "[ . 1 . 2 .]" 2
497 1 22 VAL MG1 1 24 THR MG . . 4.150 3.364 3.281 3.436 . 0 0 "[ . 1 . 2 .]" 2
498 1 24 THR HB 1 25 ASP H . . 4.430 4.321 4.254 4.333 . 0 0 "[ . 1 . 2 .]" 2
499 1 25 ASP H 1 25 ASP HA . . 2.910 2.816 2.809 2.830 . 0 0 "[ . 1 . 2 .]" 2
500 1 28 PHE HA 1 28 PHE QD . . 3.710 2.985 2.870 3.006 . 0 0 "[ . 1 . 2 .]" 2
501 1 27 TYR QD 1 28 PHE HA . . 4.010 3.300 3.153 3.497 . 0 0 "[ . 1 . 2 .]" 2
502 1 19 ARG HB2 1 28 PHE QB . . 3.690 2.020 1.986 2.161 . 0 0 "[ . 1 . 2 .]" 2
503 1 27 TYR HB3 1 28 PHE HA . . 4.370 4.078 4.007 4.165 . 0 0 "[ . 1 . 2 .]" 2
504 1 28 PHE QD 1 29 TYR HA . . 3.760 3.052 2.917 3.213 . 0 0 "[ . 1 . 2 .]" 2
505 1 29 TYR H 1 29 TYR HB2 . . 3.640 2.601 2.344 2.753 . 0 0 "[ . 1 . 2 .]" 2
506 1 30 GLU HB2 1 37 THR MG . . 4.630 4.581 4.238 4.636 0.006 25 0 "[ . 1 . 2 .]" 2
507 1 17 GLN HB3 1 45 LEU MD1 . . 4.380 4.194 3.753 4.382 0.002 22 0 "[ . 1 . 2 .]" 2
508 1 17 GLN HB3 1 45 LEU MD2 . . 4.440 2.730 2.319 3.024 . 0 0 "[ . 1 . 2 .]" 2
509 1 30 GLU HB3 1 37 THR MG . . 4.630 3.342 2.983 3.542 . 0 0 "[ . 1 . 2 .]" 2
510 1 30 GLU HG3 1 37 THR HB . . 5.500 4.311 3.154 5.490 . 0 0 "[ . 1 . 2 .]" 2
511 1 31 CYS HA 1 37 THR HB . . 3.370 2.295 2.000 2.475 . 0 0 "[ . 1 . 2 .]" 2
512 1 31 CYS HA 1 32 CYS HA . . 4.910 4.811 4.739 4.837 . 0 0 "[ . 1 . 2 .]" 2
513 1 31 CYS HA 1 37 THR MG . . 3.090 2.990 2.723 3.101 0.011 25 0 "[ . 1 . 2 .]" 2
514 1 11 ARG HG3 1 32 CYS HA . . 4.440 3.356 2.986 3.583 . 0 0 "[ . 1 . 2 .]" 2
515 1 32 CYS HB3 1 33 THR MG . . 4.230 2.877 2.761 3.405 . 0 0 "[ . 1 . 2 .]" 2
516 1 32 CYS HB2 1 33 THR MG . . 4.160 3.312 3.065 3.530 . 0 0 "[ . 1 . 2 .]" 2
517 1 1 ALA MB 1 33 THR MG . . 4.540 2.998 2.320 3.854 . 0 0 "[ . 1 . 2 .]" 2
518 1 1 ALA MB 1 33 THR HB . . 4.600 3.336 2.060 4.412 . 0 0 "[ . 1 . 2 .]" 2
519 1 36 SER HA 1 39 LYS QD . . 4.300 3.189 1.983 4.182 . 0 0 "[ . 1 . 2 .]" 2
520 1 37 THR HA 1 40 LYS HB2 . . 3.920 3.606 3.043 3.922 0.002 22 0 "[ . 1 . 2 .]" 2
521 1 30 GLU HG2 1 37 THR MG . . 4.550 2.865 2.138 3.456 . 0 0 "[ . 1 . 2 .]" 2
522 1 36 SER HA 1 39 LYS QB . . 3.950 3.543 3.000 3.742 . 0 0 "[ . 1 . 2 .]" 2
523 1 9 LEU HG 1 10 ARG QD . . 4.840 4.733 3.905 4.857 0.017 20 0 "[ . 1 . 2 .]" 2
524 1 9 LEU HG 1 10 ARG HA . . 4.300 3.798 3.601 3.963 . 0 0 "[ . 1 . 2 .]" 2
525 1 17 GLN HB2 1 45 LEU MD2 . . 3.990 2.561 2.290 2.887 . 0 0 "[ . 1 . 2 .]" 2
526 1 21 LYS H 1 21 LYS HG3 . . 4.840 3.151 1.970 3.824 . 0 0 "[ . 1 . 2 .]" 2
527 1 21 LYS H 1 21 LYS HG2 . . 4.840 2.521 2.002 3.453 . 0 0 "[ . 1 . 2 .]" 2
528 1 40 LYS HA 1 40 LYS QD . . 3.580 2.942 2.248 3.458 . 0 0 "[ . 1 . 2 .]" 2
529 1 9 LEU HG 1 10 ARG QG . . 3.040 2.977 2.629 3.044 0.004 22 0 "[ . 1 . 2 .]" 2
530 1 9 LEU MD1 1 13 ILE HB . . 4.300 3.911 3.369 4.237 . 0 0 "[ . 1 . 2 .]" 2
531 1 9 LEU MD1 1 10 ARG HA . . 4.720 2.468 2.323 2.717 . 0 0 "[ . 1 . 2 .]" 2
532 1 8 SER H 1 11 ARG HG2 . . 5.500 5.236 4.632 5.505 0.005 24 0 "[ . 1 . 2 .]" 2
533 1 12 GLU HA 1 12 GLU QG . . 3.760 2.395 2.185 2.524 . 0 0 "[ . 1 . 2 .]" 2
534 1 11 ARG HG2 1 32 CYS HB3 . . 5.480 5.251 4.910 5.481 0.001 10 0 "[ . 1 . 2 .]" 2
535 1 11 ARG HG3 1 32 CYS HB3 . . 5.500 5.443 5.251 5.503 0.003 10 0 "[ . 1 . 2 .]" 2
536 1 12 GLU HB3 1 13 ILE HB . . 4.990 4.834 4.724 4.944 . 0 0 "[ . 1 . 2 .]" 2
537 1 13 ILE MG 1 14 ALA HA . . 4.890 3.588 3.420 3.697 . 0 0 "[ . 1 . 2 .]" 2
538 1 10 ARG HA 1 13 ILE HG13 . . 4.760 3.932 3.567 4.181 . 0 0 "[ . 1 . 2 .]" 2
539 1 16 GLY HA2 1 19 ARG H . . 5.030 3.692 3.389 3.749 . 0 0 "[ . 1 . 2 .]" 2
540 1 16 GLY HA3 1 19 ARG H . . 4.750 4.699 4.495 4.735 . 0 0 "[ . 1 . 2 .]" 2
541 1 16 GLY HA2 1 28 PHE QE . . 4.420 3.395 3.188 3.625 . 0 0 "[ . 1 . 2 .]" 2
542 1 15 CYS HB3 1 28 PHE QE . . 4.680 3.438 3.303 3.558 . 0 0 "[ . 1 . 2 .]" 2
543 1 15 CYS HB2 1 28 PHE QD . . 4.360 3.214 3.014 3.454 . 0 0 "[ . 1 . 2 .]" 2
544 1 15 CYS HB2 1 28 PHE QE . . 4.680 3.079 2.987 3.320 . 0 0 "[ . 1 . 2 .]" 2
545 1 17 GLN HB2 1 45 LEU MD1 . . 4.210 3.208 2.934 3.478 . 0 0 "[ . 1 . 2 .]" 2
546 1 19 ARG HB2 1 28 PHE QD . . 4.920 3.046 2.844 3.362 . 0 0 "[ . 1 . 2 .]" 2
547 1 18 CYS HA 1 21 LYS HG3 . . 4.620 3.492 2.804 4.053 . 0 0 "[ . 1 . 2 .]" 2
548 1 18 CYS HB2 1 28 PHE HA . . 5.500 5.504 5.501 5.513 0.013 25 0 "[ . 1 . 2 .]" 2
549 1 19 ARG HA 1 28 PHE QB . . 4.520 3.966 3.848 4.149 . 0 0 "[ . 1 . 2 .]" 2
550 1 19 ARG HA 1 27 TYR HB2 . . 4.780 4.043 3.635 4.492 . 0 0 "[ . 1 . 2 .]" 2
551 1 19 ARG HG2 1 28 PHE QB . . 4.570 3.731 3.480 3.921 . 0 0 "[ . 1 . 2 .]" 2
552 1 19 ARG HA 1 22 VAL MG1 . . 4.790 4.624 4.480 4.797 0.007 14 0 "[ . 1 . 2 .]" 2
553 1 18 CYS HA 1 21 LYS HB3 . . 4.580 4.075 3.722 4.255 . 0 0 "[ . 1 . 2 .]" 2
554 1 21 LYS HB2 1 44 LEU MD1 . . 4.780 3.579 2.883 4.235 . 0 0 "[ . 1 . 2 .]" 2
555 1 21 LYS HB2 1 22 VAL MG2 . . 5.240 3.075 2.892 3.402 . 0 0 "[ . 1 . 2 .]" 2
556 1 21 LYS HB3 1 44 LEU HB3 . . 4.910 4.444 3.905 4.902 . 0 0 "[ . 1 . 2 .]" 2
557 1 22 VAL HB 1 24 THR H . . 4.730 3.295 2.970 3.523 . 0 0 "[ . 1 . 2 .]" 2
558 1 22 VAL HB 1 27 TYR QD . . 4.610 3.815 3.662 3.943 . 0 0 "[ . 1 . 2 .]" 2
559 1 22 VAL MG1 1 24 THR HB . . 4.640 2.254 2.129 2.396 . 0 0 "[ . 1 . 2 .]" 2
560 1 22 VAL MG1 1 41 CYS HB2 . . 5.500 5.509 5.505 5.520 0.020 25 0 "[ . 1 . 2 .]" 2
561 1 18 CYS HB2 1 22 VAL MG2 . . 5.020 3.842 3.749 3.976 . 0 0 "[ . 1 . 2 .]" 2
562 1 22 VAL MG1 1 23 LYS HA . . 4.870 4.790 4.701 4.875 0.005 12 0 "[ . 1 . 2 .]" 2
563 1 27 TYR H 1 28 PHE HA . . 5.400 5.376 5.293 5.411 0.011 13 0 "[ . 1 . 2 .]" 2
564 1 27 TYR HA 1 31 CYS H . . 4.680 3.713 3.677 3.824 . 0 0 "[ . 1 . 2 .]" 2
565 1 27 TYR QD 1 28 PHE QB . . 5.060 4.174 4.077 4.301 . 0 0 "[ . 1 . 2 .]" 2
566 1 29 TYR HA 1 33 THR H . . 5.200 4.834 4.204 5.066 . 0 0 "[ . 1 . 2 .]" 2
567 1 27 TYR HB2 1 28 PHE QB . . 5.500 5.400 5.296 5.482 . 0 0 "[ . 1 . 2 .]" 2
568 1 22 VAL MG1 1 27 TYR HB2 . . 4.400 3.530 3.473 3.583 . 0 0 "[ . 1 . 2 .]" 2
569 1 19 ARG HB2 1 27 TYR HB3 . . 5.230 3.775 3.393 4.149 . 0 0 "[ . 1 . 2 .]" 2
570 1 19 ARG HB2 1 28 PHE HA . . 4.680 3.136 2.851 3.264 . 0 0 "[ . 1 . 2 .]" 2
571 1 19 ARG HG3 1 28 PHE QB . . 4.570 2.600 2.027 2.992 . 0 0 "[ . 1 . 2 .]" 2
572 1 29 TYR HA 1 32 CYS HB2 . . 3.510 2.370 2.079 2.511 . 0 0 "[ . 1 . 2 .]" 2
573 1 29 TYR HA 1 33 THR MG . . 4.680 4.305 3.718 4.675 . 0 0 "[ . 1 . 2 .]" 2
574 1 29 TYR QD 1 30 GLU HA . . 4.900 3.667 3.166 4.293 . 0 0 "[ . 1 . 2 .]" 2
575 1 30 GLU HG2 1 37 THR HB . . 5.500 3.951 3.273 4.710 . 0 0 "[ . 1 . 2 .]" 2
576 1 30 GLU H 1 30 GLU HG2 . . 4.810 4.513 4.370 4.626 . 0 0 "[ . 1 . 2 .]" 2
577 1 29 TYR HA 1 32 CYS HB3 . . 4.430 3.783 3.387 3.940 . 0 0 "[ . 1 . 2 .]" 2
578 1 30 GLU HG3 1 37 THR MG . . 4.550 3.631 2.614 4.482 . 0 0 "[ . 1 . 2 .]" 2
579 1 4 LYS HB2 1 32 CYS HA . . 4.570 4.192 3.239 4.564 . 0 0 "[ . 1 . 2 .]" 2
580 1 11 ARG HG2 1 32 CYS HA . . 5.120 3.495 2.918 3.854 . 0 0 "[ . 1 . 2 .]" 2
581 1 30 GLU HA 1 33 THR MG . . 4.930 4.471 4.027 4.742 . 0 0 "[ . 1 . 2 .]" 2
582 1 39 LYS QB 1 40 LYS H . . 3.840 2.416 2.282 3.514 . 0 0 "[ . 1 . 2 .]" 2
583 1 40 LYS H 1 40 LYS HB3 . . 3.660 3.539 3.496 3.597 . 0 0 "[ . 1 . 2 .]" 2
584 1 40 LYS HA 1 43 ASP HB3 . . 3.920 3.518 3.191 3.888 . 0 0 "[ . 1 . 2 .]" 2
585 1 43 ASP HB2 1 44 LEU H . . 4.160 3.794 3.548 4.038 . 0 0 "[ . 1 . 2 .]" 2
586 1 41 CYS HA 1 44 LEU HB3 . . 4.780 4.440 4.220 4.641 . 0 0 "[ . 1 . 2 .]" 2
587 1 41 CYS HA 1 44 LEU HB2 . . 4.820 3.073 2.746 3.337 . 0 0 "[ . 1 . 2 .]" 2
588 1 41 CYS HA 1 44 LEU HG . . 4.440 2.412 2.201 2.699 . 0 0 "[ . 1 . 2 .]" 2
589 1 44 LEU H 1 44 LEU HG . . 4.040 2.050 1.959 2.190 . 0 0 "[ . 1 . 2 .]" 2
590 1 42 GLN HA 1 45 LEU HB3 . . 5.240 4.996 4.744 5.185 . 0 0 "[ . 1 . 2 .]" 2
591 1 42 GLN HA 1 45 LEU HB2 . . 4.730 3.307 3.059 3.474 . 0 0 "[ . 1 . 2 .]" 2
592 1 40 LYS HA 1 43 ASP HB2 . . 3.960 3.543 3.090 3.936 . 0 0 "[ . 1 . 2 .]" 2
593 1 42 GLN HB2 1 43 ASP HB2 . . 4.770 4.513 4.282 4.684 . 0 0 "[ . 1 . 2 .]" 2
594 1 43 ASP HA 1 46 HIS HB2 . . 4.600 3.291 2.217 4.590 . 0 0 "[ . 1 . 2 .]" 2
595 1 43 ASP HA 1 46 HIS HB3 . . 4.600 3.177 2.165 4.397 . 0 0 "[ . 1 . 2 .]" 2
596 1 45 LEU HA 1 45 LEU HG . . 3.620 3.173 3.000 3.403 . 0 0 "[ . 1 . 2 .]" 2
597 1 42 GLN HA 1 45 LEU MD1 . . 4.680 3.269 2.800 3.530 . 0 0 "[ . 1 . 2 .]" 2
598 1 17 GLN H 1 45 LEU MD2 . . 4.940 4.627 4.249 4.935 . 0 0 "[ . 1 . 2 .]" 2
599 1 39 LYS HA 1 42 GLN QG . . 5.500 3.364 2.903 3.756 . 0 0 "[ . 1 . 2 .]" 2
600 1 21 LYS QD 1 44 LEU MD1 . . 5.500 4.699 3.391 5.499 . 0 0 "[ . 1 . 2 .]" 2
601 1 22 VAL MG2 1 44 LEU MD2 . . 4.630 3.833 3.550 4.273 . 0 0 "[ . 1 . 2 .]" 2
602 1 42 GLN HB3 1 43 ASP HB2 . . 5.100 4.889 4.699 5.080 . 0 0 "[ . 1 . 2 .]" 2
603 1 12 GLU H 1 13 ILE HG13 . . 5.020 4.300 4.221 4.365 . 0 0 "[ . 1 . 2 .]" 2
604 1 38 PHE QE 1 42 GLN QG . . 4.410 2.772 2.408 3.221 . 0 0 "[ . 1 . 2 .]" 2
605 1 9 LEU HB3 1 10 ARG H . . 5.500 3.828 3.809 3.851 . 0 0 "[ . 1 . 2 .]" 2
606 1 9 LEU HB2 1 10 ARG H . . 5.500 3.940 3.872 4.057 . 0 0 "[ . 1 . 2 .]" 2
607 1 9 LEU HA 1 12 GLU HB2 . . 5.200 3.640 3.145 4.274 . 0 0 "[ . 1 . 2 .]" 2
608 1 12 GLU HA 1 13 ILE HA . . 5.500 4.791 4.761 4.826 . 0 0 "[ . 1 . 2 .]" 2
609 1 13 ILE HA 1 14 ALA HA . . 5.500 4.763 4.755 4.771 . 0 0 "[ . 1 . 2 .]" 2
610 1 12 GLU HB2 1 13 ILE HA . . 5.500 5.538 5.497 5.577 0.077 20 0 "[ . 1 . 2 .]" 2
611 1 22 VAL HB 1 23 LYS QB . . 5.500 5.007 4.926 5.079 . 0 0 "[ . 1 . 2 .]" 2
612 1 24 THR MG 1 25 ASP HB2 . . 5.500 4.458 3.959 5.217 . 0 0 "[ . 1 . 2 .]" 2
613 1 24 THR MG 1 25 ASP HB3 . . 5.500 4.843 4.000 5.203 . 0 0 "[ . 1 . 2 .]" 2
614 1 19 ARG HB3 1 28 PHE HA . . 5.500 4.820 4.510 4.969 . 0 0 "[ . 1 . 2 .]" 2
615 1 28 PHE HA 1 32 CYS HB2 . . 5.500 5.158 4.798 5.315 . 0 0 "[ . 1 . 2 .]" 2
616 1 37 THR MG 1 40 LYS QD . . 5.500 4.130 3.550 5.068 . 0 0 "[ . 1 . 2 .]" 2
617 1 42 GLN HA 1 44 LEU H . . 5.500 4.435 4.174 4.633 . 0 0 "[ . 1 . 2 .]" 2
618 1 22 VAL MG2 1 44 LEU MD1 . . 5.500 2.043 1.897 2.272 . 0 0 "[ . 1 . 2 .]" 2
619 1 39 LYS QB 1 40 LYS QG . . 5.350 4.191 3.303 5.103 . 0 0 "[ . 1 . 2 .]" 2
620 1 41 CYS HA 1 44 LEU MD2 . . 5.500 4.012 3.821 4.266 . 0 0 "[ . 1 . 2 .]" 2
621 1 9 LEU HG 1 10 ARG HB2 . . 3.880 3.591 3.472 3.747 . 0 0 "[ . 1 . 2 .]" 2
622 1 9 LEU HG 1 10 ARG HB3 . . 4.990 4.930 4.876 4.984 . 0 0 "[ . 1 . 2 .]" 2
623 1 16 GLY HA2 1 28 PHE QD . . 4.060 2.274 2.031 2.579 . 0 0 "[ . 1 . 2 .]" 2
624 1 15 CYS HB3 1 28 PHE QD . . 4.360 2.272 2.107 2.490 . 0 0 "[ . 1 . 2 .]" 2
625 1 29 TYR QE 1 33 THR MG . . 4.010 3.511 2.331 3.984 . 0 0 "[ . 1 . 2 .]" 2
626 1 12 GLU QG 1 28 PHE HZ . . 3.460 1.971 1.903 2.142 . 0 0 "[ . 1 . 2 .]" 2
627 1 19 ARG HA 1 27 TYR QD . . 3.210 2.634 2.444 2.785 . 0 0 "[ . 1 . 2 .]" 2
628 1 27 TYR HA 1 27 TYR QD . . 3.600 2.845 2.674 2.972 . 0 0 "[ . 1 . 2 .]" 2
629 1 19 ARG HB3 1 27 TYR QD . . 4.810 4.799 4.707 4.814 0.004 25 0 "[ . 1 . 2 .]" 2
630 1 19 ARG HB2 1 27 TYR QD . . 3.460 3.415 3.281 3.462 0.002 10 0 "[ . 1 . 2 .]" 2
631 1 22 VAL MG1 1 27 TYR QD . . 3.680 3.063 2.624 3.490 . 0 0 "[ . 1 . 2 .]" 2
632 1 22 VAL MG2 1 27 TYR QD . . 4.020 3.479 3.151 3.648 . 0 0 "[ . 1 . 2 .]" 2
633 1 15 CYS HA 1 27 TYR QE . . 4.160 4.063 3.918 4.161 0.001 19 0 "[ . 1 . 2 .]" 2
634 1 18 CYS HB3 1 27 TYR QE . . 3.250 2.026 1.998 2.338 . 0 0 "[ . 1 . 2 .]" 2
635 1 19 ARG HA 1 27 TYR QE . . 4.500 4.410 4.242 4.501 0.001 15 0 "[ . 1 . 2 .]" 2
636 1 18 CYS HB2 1 27 TYR QE . . 3.540 2.831 2.665 2.970 . 0 0 "[ . 1 . 2 .]" 2
637 1 27 TYR QE 1 31 CYS HB3 . . 4.770 3.495 3.130 3.771 . 0 0 "[ . 1 . 2 .]" 2
638 1 27 TYR QE 1 37 THR MG . . 3.570 2.591 2.091 3.020 . 0 0 "[ . 1 . 2 .]" 2
639 1 22 VAL MG1 1 27 TYR QE . . 4.260 2.985 2.400 3.567 . 0 0 "[ . 1 . 2 .]" 2
640 1 29 TYR HA 1 29 TYR QD . . 3.730 2.815 2.375 3.078 . 0 0 "[ . 1 . 2 .]" 2
641 1 29 TYR QD 1 33 THR MG . . 4.370 3.907 2.407 4.371 0.001 5 0 "[ . 1 . 2 .]" 2
642 1 11 ARG HA 1 38 PHE HZ . . 3.910 3.495 2.871 3.910 0.000 10 0 "[ . 1 . 2 .]" 2
643 1 14 ALA MB 1 38 PHE HZ . . 3.630 2.592 2.027 3.065 . 0 0 "[ . 1 . 2 .]" 2
644 1 38 PHE QD 1 42 GLN QG . . 4.420 2.518 2.012 2.882 . 0 0 "[ . 1 . 2 .]" 2
645 1 27 TYR QE 1 31 CYS HB2 . . 4.770 4.439 4.145 4.616 . 0 0 "[ . 1 . 2 .]" 2
646 1 27 TYR QD 1 41 CYS HB2 . . 5.280 4.940 4.830 5.084 . 0 0 "[ . 1 . 2 .]" 2
647 1 2 ASP H 1 2 ASP QB . . 3.390 2.605 2.291 3.228 . 0 0 "[ . 1 . 2 .]" 2
648 1 2 ASP HA 1 3 ASN QB . . 4.310 4.137 4.017 4.248 . 0 0 "[ . 1 . 2 .]" 2
649 1 2 ASP QB 1 3 ASN H . . 3.730 3.059 2.325 3.705 . 0 0 "[ . 1 . 2 .]" 2
650 1 2 ASP QB 1 4 LYS H . . 4.990 4.712 4.114 4.990 . 21 0 "[ . 1 . 2 .]" 2
651 1 3 ASN H 1 3 ASN QB . . 2.840 2.187 2.141 2.339 . 0 0 "[ . 1 . 2 .]" 2
652 1 3 ASN H 1 4 LYS QG . . 5.340 5.119 4.768 5.339 . 0 0 "[ . 1 . 2 .]" 2
653 1 3 ASN HA 1 4 LYS QG . . 4.390 3.908 3.569 4.389 . 0 0 "[ . 1 . 2 .]" 2
654 1 3 ASN QB 1 4 LYS H . . 3.990 3.700 3.408 3.991 0.001 20 0 "[ . 1 . 2 .]" 2
655 1 3 ASN QB 1 5 CYS H . . 4.870 3.887 3.211 4.759 . 0 0 "[ . 1 . 2 .]" 2
656 1 3 ASN QB 1 6 GLU H . . 4.900 2.839 2.030 3.612 . 0 0 "[ . 1 . 2 .]" 2
657 1 3 ASN QB 1 6 GLU QG . . 4.450 3.354 1.883 4.291 . 0 0 "[ . 1 . 2 .]" 2
658 1 4 LYS H 1 4 LYS QG . . 2.890 2.330 1.941 2.894 0.004 23 0 "[ . 1 . 2 .]" 2
659 1 4 LYS H 1 4 LYS QD . . 3.680 3.383 2.176 3.684 0.004 20 0 "[ . 1 . 2 .]" 2
660 1 4 LYS H 1 4 LYS QE . . 5.340 4.463 2.304 5.091 . 0 0 "[ . 1 . 2 .]" 2
661 1 4 LYS H 1 5 CYS QB . . 4.930 4.525 4.008 4.932 0.002 19 0 "[ . 1 . 2 .]" 2
662 1 4 LYS HA 1 4 LYS QG . . 3.360 2.776 2.306 3.088 . 0 0 "[ . 1 . 2 .]" 2
663 1 4 LYS HA 1 4 LYS QD . . 3.950 2.708 2.003 3.956 0.006 23 0 "[ . 1 . 2 .]" 2
664 1 4 LYS HB2 1 4 LYS QD . . 3.570 3.053 2.121 3.476 . 0 0 "[ . 1 . 2 .]" 2
665 1 4 LYS HB2 1 4 LYS QE . . 4.010 3.662 3.272 3.998 . 0 0 "[ . 1 . 2 .]" 2
666 1 4 LYS HB2 1 11 ARG QD . . 5.170 4.752 4.022 5.167 . 0 0 "[ . 1 . 2 .]" 2
667 1 4 LYS HB3 1 4 LYS QE . . 4.150 3.007 2.066 4.152 0.002 23 0 "[ . 1 . 2 .]" 2
668 1 4 LYS QD 1 4 LYS QG . . 2.260 2.042 2.017 2.091 . 0 0 "[ . 1 . 2 .]" 2
669 1 4 LYS QE 1 4 LYS QG . . 3.320 2.156 2.017 2.460 . 0 0 "[ . 1 . 2 .]" 2
670 1 4 LYS QG 1 33 THR HA . . 5.340 3.359 2.212 4.808 . 0 0 "[ . 1 . 2 .]" 2
671 1 4 LYS QG 1 33 THR MG . . 5.050 3.711 2.907 4.721 . 0 0 "[ . 1 . 2 .]" 2
672 1 5 CYS H 1 5 CYS QB . . 3.010 2.458 2.289 2.659 . 0 0 "[ . 1 . 2 .]" 2
673 1 5 CYS HA 1 6 GLU QB . . 5.340 5.193 5.103 5.375 0.035 21 0 "[ . 1 . 2 .]" 2
674 1 5 CYS HA 1 11 ARG QB . . 3.450 2.061 1.980 2.425 . 0 0 "[ . 1 . 2 .]" 2
675 1 5 CYS QB 1 6 GLU H . . 3.800 3.221 2.588 3.606 . 0 0 "[ . 1 . 2 .]" 2
676 1 5 CYS QB 1 12 GLU H . . 4.880 3.287 2.840 3.828 . 0 0 "[ . 1 . 2 .]" 2
677 1 5 CYS QB 1 12 GLU HA . . 3.740 2.570 2.075 3.467 . 0 0 "[ . 1 . 2 .]" 2
678 1 5 CYS QB 1 12 GLU HB2 . . 3.450 2.289 1.991 2.702 . 0 0 "[ . 1 . 2 .]" 2
679 1 5 CYS QB 1 12 GLU HB3 . . 4.310 3.771 3.569 4.124 . 0 0 "[ . 1 . 2 .]" 2
680 1 6 GLU H 1 6 GLU QB . . 2.810 2.216 2.084 2.301 . 0 0 "[ . 1 . 2 .]" 2
681 1 6 GLU QB 1 7 ASN H . . 3.520 2.934 2.710 3.518 . 0 0 "[ . 1 . 2 .]" 2
682 1 7 ASN H 1 7 ASN QB . . 3.330 2.450 2.259 2.892 . 0 0 "[ . 1 . 2 .]" 2
683 1 7 ASN H 1 8 SER QB . . 4.340 4.114 3.991 4.357 0.017 24 0 "[ . 1 . 2 .]" 2
684 1 7 ASN QB 1 8 SER H . . 4.060 2.968 2.812 3.589 . 0 0 "[ . 1 . 2 .]" 2
685 1 8 SER H 1 8 SER QB . . 3.080 2.383 2.237 2.811 . 0 0 "[ . 1 . 2 .]" 2
686 1 8 SER H 1 11 ARG QB . . 4.390 3.849 3.392 4.120 . 0 0 "[ . 1 . 2 .]" 2
687 1 8 SER QB 1 9 LEU H . . 4.390 3.646 3.366 3.954 . 0 0 "[ . 1 . 2 .]" 2
688 1 8 SER QB 1 11 ARG H . . 4.230 2.522 2.076 3.263 . 0 0 "[ . 1 . 2 .]" 2
689 1 8 SER QB 1 11 ARG QB . . 3.460 2.031 1.837 2.414 . 0 0 "[ . 1 . 2 .]" 2
690 1 11 ARG H 1 11 ARG QB . . 2.930 2.230 2.141 2.257 . 0 0 "[ . 1 . 2 .]" 2
691 1 11 ARG HA 1 11 ARG QD . . 3.940 2.251 2.005 2.481 . 0 0 "[ . 1 . 2 .]" 2
692 1 11 ARG QB 1 11 ARG QD . . 3.280 2.370 2.082 2.558 . 0 0 "[ . 1 . 2 .]" 2
693 1 11 ARG QB 1 12 GLU H . . 3.140 2.662 2.494 2.730 . 0 0 "[ . 1 . 2 .]" 2
694 1 11 ARG QB 1 32 CYS HA . . 5.140 4.850 4.214 5.140 . 0 0 "[ . 1 . 2 .]" 2
695 1 11 ARG QD 1 14 ALA MB . . 5.340 3.689 3.347 3.968 . 0 0 "[ . 1 . 2 .]" 2
696 1 11 ARG QD 1 32 CYS HA . . 4.990 4.055 3.518 4.769 . 0 0 "[ . 1 . 2 .]" 2
697 1 11 ARG QD 1 38 PHE HZ . . 3.790 3.119 2.942 3.392 . 0 0 "[ . 1 . 2 .]" 2
698 1 12 GLU HA 1 15 CYS QB . . 4.280 2.790 2.624 3.166 . 0 0 "[ . 1 . 2 .]" 2
699 1 13 ILE HA 1 17 GLN QG . . 5.340 4.473 4.265 4.675 . 0 0 "[ . 1 . 2 .]" 2
700 1 13 ILE MG 1 17 GLN QG . . 3.830 3.178 2.892 3.442 . 0 0 "[ . 1 . 2 .]" 2
701 1 13 ILE MG 1 17 GLN QE . . 3.730 2.844 2.099 3.555 . 0 0 "[ . 1 . 2 .]" 2
702 1 15 CYS H 1 15 CYS QB . . 3.330 2.162 2.129 2.193 . 0 0 "[ . 1 . 2 .]" 2
703 1 15 CYS QB 1 16 GLY H . . 3.570 2.735 2.638 2.870 . 0 0 "[ . 1 . 2 .]" 2
704 1 15 CYS QB 1 16 GLY HA2 . . 4.220 3.840 3.783 3.898 . 0 0 "[ . 1 . 2 .]" 2
705 1 15 CYS QB 1 28 PHE HA . . 3.640 2.400 2.192 2.663 . 0 0 "[ . 1 . 2 .]" 2
706 1 15 CYS QB 1 28 PHE QE . . 4.040 2.871 2.791 3.051 . 0 0 "[ . 1 . 2 .]" 2
707 1 16 GLY H 1 19 ARG QD . . 5.340 5.348 5.344 5.359 0.019 25 0 "[ . 1 . 2 .]" 2
708 1 17 GLN H 1 17 GLN QG . . 2.740 2.331 1.954 2.597 . 0 0 "[ . 1 . 2 .]" 2
709 1 17 GLN HA 1 17 GLN QG . . 3.040 2.346 2.219 2.526 . 0 0 "[ . 1 . 2 .]" 2
710 1 18 CYS HA 1 21 LYS QG . . 3.850 3.307 2.697 3.800 . 0 0 "[ . 1 . 2 .]" 2
711 1 19 ARG H 1 19 ARG QG . . 4.480 3.968 3.957 3.975 . 0 0 "[ . 1 . 2 .]" 2
712 1 19 ARG H 1 19 ARG QD . . 4.560 4.352 4.327 4.439 . 0 0 "[ . 1 . 2 .]" 2
713 1 19 ARG HA 1 19 ARG QD . . 4.500 4.089 4.015 4.129 . 0 0 "[ . 1 . 2 .]" 2
714 1 19 ARG HB2 1 19 ARG QD . . 3.600 2.476 2.384 2.759 . 0 0 "[ . 1 . 2 .]" 2
715 1 19 ARG QG 1 20 ASP H . . 4.640 3.640 3.490 3.863 . 0 0 "[ . 1 . 2 .]" 2
716 1 19 ARG QG 1 20 ASP HA . . 5.340 3.579 3.426 3.855 . 0 0 "[ . 1 . 2 .]" 2
717 1 19 ARG QG 1 24 THR H . . 4.840 4.108 3.937 4.257 . 0 0 "[ . 1 . 2 .]" 2
718 1 19 ARG QG 1 27 TYR H . . 5.140 3.921 3.461 4.286 . 0 0 "[ . 1 . 2 .]" 2
719 1 19 ARG QG 1 27 TYR HB3 . . 4.380 3.058 2.740 3.423 . 0 0 "[ . 1 . 2 .]" 2
720 1 19 ARG QG 1 28 PHE QB . . 3.840 2.550 2.014 2.904 . 0 0 "[ . 1 . 2 .]" 2
721 1 19 ARG QD 1 20 ASP H . . 5.340 4.521 3.974 4.834 . 0 0 "[ . 1 . 2 .]" 2
722 1 20 ASP H 1 21 LYS QG . . 4.750 4.238 3.840 4.713 . 0 0 "[ . 1 . 2 .]" 2
723 1 20 ASP QB 1 21 LYS QG . . 4.200 3.228 2.944 3.704 . 0 0 "[ . 1 . 2 .]" 2
724 1 21 LYS H 1 21 LYS QG . . 4.260 2.256 1.959 2.742 . 0 0 "[ . 1 . 2 .]" 2
725 1 21 LYS HA 1 21 LYS QG . . 3.430 2.616 2.312 2.850 . 0 0 "[ . 1 . 2 .]" 2
726 1 21 LYS QG 1 22 VAL H . . 4.390 3.925 3.714 4.138 . 0 0 "[ . 1 . 2 .]" 2
727 1 21 LYS QG 1 44 LEU MD1 . . 5.340 4.538 3.696 4.998 . 0 0 "[ . 1 . 2 .]" 2
728 1 22 VAL H 1 23 LYS QG . . 4.830 4.684 4.503 4.825 . 0 0 "[ . 1 . 2 .]" 2
729 1 23 LYS H 1 23 LYS QG . . 3.310 2.914 2.794 3.010 . 0 0 "[ . 1 . 2 .]" 2
730 1 23 LYS H 1 23 LYS QD . . 5.180 4.468 3.235 4.915 . 0 0 "[ . 1 . 2 .]" 2
731 1 23 LYS HA 1 23 LYS QG . . 3.440 2.383 2.189 2.823 . 0 0 "[ . 1 . 2 .]" 2
732 1 23 LYS HA 1 23 LYS QD . . 4.080 3.369 1.973 4.112 0.032 5 0 "[ . 1 . 2 .]" 2
733 1 23 LYS QB 1 23 LYS QD . . 3.430 2.206 2.084 2.586 . 0 0 "[ . 1 . 2 .]" 2
734 1 25 ASP H 1 25 ASP QB . . 2.780 2.381 2.099 2.649 . 0 0 "[ . 1 . 2 .]" 2
735 1 25 ASP QB 1 26 GLY H . . 3.520 3.243 3.083 3.555 0.035 17 0 "[ . 1 . 2 .]" 2
736 1 26 GLY QA 1 27 TYR HB3 . . 5.340 5.066 5.002 5.136 . 0 0 "[ . 1 . 2 .]" 2
737 1 26 GLY QA 1 29 TYR H . . 4.360 3.263 3.178 3.432 . 0 0 "[ . 1 . 2 .]" 2
738 1 26 GLY QA 1 30 GLU H . . 4.650 4.001 3.855 4.061 . 0 0 "[ . 1 . 2 .]" 2
739 1 27 TYR HA 1 30 GLU QB . . 3.390 2.222 2.103 2.410 . 0 0 "[ . 1 . 2 .]" 2
740 1 27 TYR HA 1 30 GLU QG . . 4.920 3.907 3.406 4.283 . 0 0 "[ . 1 . 2 .]" 2
741 1 27 TYR QE 1 31 CYS QB . . 4.050 3.372 3.043 3.611 . 0 0 "[ . 1 . 2 .]" 2
742 1 29 TYR H 1 29 TYR QB . . 2.830 2.256 2.228 2.274 . 0 0 "[ . 1 . 2 .]" 2
743 1 29 TYR QB 1 30 GLU H . . 3.160 2.954 2.916 2.995 . 0 0 "[ . 1 . 2 .]" 2
744 1 29 TYR QB 1 31 CYS H . . 5.340 5.223 5.050 5.271 . 0 0 "[ . 1 . 2 .]" 2
745 1 29 TYR QB 1 32 CYS H . . 5.340 5.082 4.985 5.118 . 0 0 "[ . 1 . 2 .]" 2
746 1 30 GLU H 1 30 GLU QG . . 4.200 3.992 3.951 4.037 . 0 0 "[ . 1 . 2 .]" 2
747 1 30 GLU HA 1 30 GLU QG . . 3.480 2.642 2.364 3.114 . 0 0 "[ . 1 . 2 .]" 2
748 1 30 GLU QB 1 31 CYS H . . 3.170 2.297 2.256 2.419 . 0 0 "[ . 1 . 2 .]" 2
749 1 30 GLU QB 1 37 THR MG . . 3.940 3.264 2.926 3.436 . 0 0 "[ . 1 . 2 .]" 2
750 1 30 GLU QG 1 34 SER H . . 5.340 4.703 4.238 4.937 . 0 0 "[ . 1 . 2 .]" 2
751 1 30 GLU QG 1 34 SER QB . . 4.120 2.683 2.362 3.560 . 0 0 "[ . 1 . 2 .]" 2
752 1 30 GLU QG 1 37 THR H . . 5.340 4.950 4.731 5.207 . 0 0 "[ . 1 . 2 .]" 2
753 1 30 GLU QG 1 37 THR HB . . 4.760 3.391 3.101 3.750 . 0 0 "[ . 1 . 2 .]" 2
754 1 31 CYS H 1 31 CYS QB . . 3.010 2.561 2.466 2.606 . 0 0 "[ . 1 . 2 .]" 2
755 1 31 CYS H 1 34 SER QB . . 5.230 4.227 3.970 5.244 0.014 25 0 "[ . 1 . 2 .]" 2
756 1 31 CYS QB 1 32 CYS H . . 3.800 3.552 3.535 3.564 . 0 0 "[ . 1 . 2 .]" 2
757 1 31 CYS QB 1 32 CYS HA . . 4.560 4.351 4.328 4.431 . 0 0 "[ . 1 . 2 .]" 2
758 1 31 CYS QB 1 34 SER H . . 5.340 4.443 4.339 4.736 . 0 0 "[ . 1 . 2 .]" 2
759 1 31 CYS QB 1 37 THR MG . . 4.030 2.271 1.917 2.500 . 0 0 "[ . 1 . 2 .]" 2
760 1 31 CYS QB 1 38 PHE H . . 5.020 4.140 3.659 4.297 . 0 0 "[ . 1 . 2 .]" 2
761 1 33 THR H 1 34 SER QB . . 4.160 3.725 3.539 4.172 0.012 25 0 "[ . 1 . 2 .]" 2
762 1 34 SER H 1 34 SER QB . . 2.690 2.626 2.528 2.685 . 0 0 "[ . 1 . 2 .]" 2
763 1 34 SER QB 1 36 SER H . . 5.340 3.859 3.294 4.373 . 0 0 "[ . 1 . 2 .]" 2
764 1 34 SER QB 1 37 THR H . . 4.070 2.790 2.235 3.185 . 0 0 "[ . 1 . 2 .]" 2
765 1 35 ASP H 1 35 ASP QB . . 3.050 2.332 2.169 2.661 . 0 0 "[ . 1 . 2 .]" 2
766 1 35 ASP HA 1 38 PHE QB . . 3.980 2.800 2.651 2.932 . 0 0 "[ . 1 . 2 .]" 2
767 1 36 SER H 1 36 SER QB . . 2.900 2.493 2.194 2.811 . 0 0 "[ . 1 . 2 .]" 2
768 1 36 SER QB 1 37 THR H . . 3.860 2.643 2.300 3.379 . 0 0 "[ . 1 . 2 .]" 2
769 1 36 SER QB 1 38 PHE H . . 5.340 4.521 4.347 4.852 . 0 0 "[ . 1 . 2 .]" 2
770 1 37 THR H 1 38 PHE QB . . 4.770 4.401 4.095 4.478 . 0 0 "[ . 1 . 2 .]" 2
771 1 38 PHE QB 1 39 LYS H . . 3.850 2.737 2.457 2.784 . 0 0 "[ . 1 . 2 .]" 2
772 1 38 PHE HZ 1 42 GLN QE . . 5.340 4.590 2.750 5.338 . 0 0 "[ . 1 . 2 .]" 2
773 1 39 LYS H 1 39 LYS QG . . 3.410 2.428 2.055 3.407 . 0 0 "[ . 1 . 2 .]" 2
774 1 39 LYS HA 1 39 LYS QG . . 3.380 2.376 2.112 3.324 . 0 0 "[ . 1 . 2 .]" 2
775 1 39 LYS HA 1 42 GLN QE . . 5.060 4.251 2.072 5.062 0.002 7 0 "[ . 1 . 2 .]" 2
776 1 39 LYS QG 1 40 LYS H . . 4.440 3.997 2.033 4.363 . 0 0 "[ . 1 . 2 .]" 2
777 1 43 ASP HA 1 46 HIS QB . . 4.020 2.615 2.141 3.312 . 0 0 "[ . 1 . 2 .]" 2
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