NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507221 |
2ecy   |
11164 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ecy
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 27
_Distance_constraint_stats_list.Viol_count 262
_Distance_constraint_stats_list.Viol_total 8.437
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0016
_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 18 CYS 0.045 0.003 10 0 "[ . 1 . 2]"
1 21 CYS 0.077 0.005 16 0 "[ . 1 . 2]"
1 33 CYS 0.057 0.004 7 0 "[ . 1 . 2]"
1 35 HIS 0.007 0.001 12 0 "[ . 1 . 2]"
1 38 CYS 0.059 0.004 16 0 "[ . 1 . 2]"
1 41 CYS 0.089 0.004 16 0 "[ . 1 . 2]"
1 53 CYS 0.076 0.004 12 0 "[ . 1 . 2]"
1 56 CYS 0.127 0.005 8 0 "[ . 1 . 2]"
2 1 ZN 0.188 0.005 16 0 "[ . 1 . 2]"
3 1 ZN 0.118 0.005 8 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 18 CYS SG 2 1 ZN ZN . 2.190 2.350 2.351 2.350 2.353 0.003 10 0 "[ . 1 . 2]" 1
2 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.255 3.247 3.282 0.003 19 0 "[ . 1 . 2]" 1
3 1 21 CYS SG 2 1 ZN ZN . 2.190 2.350 2.188 2.185 2.190 0.005 16 0 "[ . 1 . 2]" 1
4 1 21 CYS CB 2 1 ZN ZN . 3.250 3.510 3.512 3.509 3.514 0.004 16 0 "[ . 1 . 2]" 1
5 1 38 CYS SG 2 1 ZN ZN . 2.190 2.350 2.348 2.290 2.353 0.003 17 0 "[ . 1 . 2]" 1
6 1 38 CYS CB 2 1 ZN ZN . 3.250 3.510 3.463 3.296 3.511 0.001 18 0 "[ . 1 . 2]" 1
7 1 41 CYS SG 2 1 ZN ZN . 2.190 2.350 2.351 2.349 2.352 0.002 17 0 "[ . 1 . 2]" 1
8 1 41 CYS CB 2 1 ZN ZN . 3.250 3.510 3.248 3.246 3.250 0.004 7 0 "[ . 1 . 2]" 1
9 1 18 CYS SG 1 21 CYS SG . 3.560 3.960 3.732 3.669 3.771 . 0 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 38 CYS SG . 3.560 3.960 3.877 3.812 3.962 0.002 19 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 41 CYS SG . 3.560 3.960 3.806 3.770 3.844 . 0 0 "[ . 1 . 2]" 1
12 1 21 CYS SG 1 38 CYS SG . 3.560 3.960 3.662 3.609 3.772 . 0 0 "[ . 1 . 2]" 1
13 1 21 CYS SG 1 41 CYS SG . 3.560 3.960 3.933 3.839 3.962 0.002 6 0 "[ . 1 . 2]" 1
14 1 38 CYS SG 1 41 CYS SG . 3.560 3.960 3.558 3.556 3.560 0.004 16 0 "[ . 1 . 2]" 1
15 1 33 CYS SG 3 1 ZN ZN . 2.190 2.350 2.349 2.332 2.354 0.004 7 0 "[ . 1 . 2]" 1
16 1 33 CYS CB 3 1 ZN ZN . 3.250 3.510 3.480 3.362 3.513 0.003 4 0 "[ . 1 . 2]" 1
17 1 35 HIS ND1 3 1 ZN ZN . . 2.100 2.055 2.007 2.100 0.000 15 0 "[ . 1 . 2]" 1
18 1 53 CYS SG 3 1 ZN ZN . 2.190 2.350 2.347 2.329 2.352 0.002 20 0 "[ . 1 . 2]" 1
19 1 53 CYS CB 3 1 ZN ZN . 3.250 3.510 3.482 3.359 3.512 0.002 2 0 "[ . 1 . 2]" 1
20 1 56 CYS SG 3 1 ZN ZN . 2.190 2.350 2.188 2.186 2.191 0.004 11 0 "[ . 1 . 2]" 1
21 1 56 CYS CB 3 1 ZN ZN . 3.250 3.510 3.512 3.509 3.515 0.005 8 0 "[ . 1 . 2]" 1
22 1 33 CYS SG 1 35 HIS ND1 . 3.320 3.720 3.320 3.319 3.326 0.001 12 0 "[ . 1 . 2]" 1
23 1 33 CYS SG 1 53 CYS SG . 3.560 3.960 3.559 3.558 3.560 0.002 15 0 "[ . 1 . 2]" 1
24 1 33 CYS SG 1 56 CYS SG . 3.560 3.960 3.867 3.786 3.961 0.001 19 0 "[ . 1 . 2]" 1
25 1 35 HIS ND1 1 53 CYS SG . 3.320 3.720 3.494 3.350 3.564 . 0 0 "[ . 1 . 2]" 1
26 1 35 HIS ND1 1 56 CYS SG . 3.320 3.720 3.550 3.487 3.590 . 0 0 "[ . 1 . 2]" 1
27 1 53 CYS SG 1 56 CYS SG . 3.560 3.960 3.963 3.960 3.964 0.004 12 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 840
_Distance_constraint_stats_list.Viol_count 634
_Distance_constraint_stats_list.Viol_total 48.643
_Distance_constraint_stats_list.Viol_max 0.041
_Distance_constraint_stats_list.Viol_rms 0.0015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0038
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.026 0.012 7 0 "[ . 1 . 2]"
1 12 VAL 0.031 0.013 5 0 "[ . 1 . 2]"
1 13 GLU 0.048 0.014 11 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 5 0 "[ . 1 . 2]"
1 15 LYS 0.012 0.012 16 0 "[ . 1 . 2]"
1 16 TYR 0.089 0.018 17 0 "[ . 1 . 2]"
1 17 LYS 0.043 0.022 19 0 "[ . 1 . 2]"
1 18 CYS 0.033 0.008 19 0 "[ . 1 . 2]"
1 19 GLU 0.128 0.008 19 0 "[ . 1 . 2]"
1 20 LYS 0.367 0.035 10 0 "[ . 1 . 2]"
1 21 CYS 0.096 0.006 15 0 "[ . 1 . 2]"
1 22 HIS 0.120 0.008 19 0 "[ . 1 . 2]"
1 23 LEU 0.534 0.041 16 0 "[ . 1 . 2]"
1 24 VAL 0.051 0.012 13 0 "[ . 1 . 2]"
1 25 LEU 0.150 0.012 13 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PRO 0.111 0.018 17 0 "[ . 1 . 2]"
1 29 LYS 0.079 0.007 19 0 "[ . 1 . 2]"
1 30 GLN 0.005 0.002 19 0 "[ . 1 . 2]"
1 31 THR 0.049 0.005 13 0 "[ . 1 . 2]"
1 32 GLU 0.015 0.002 12 0 "[ . 1 . 2]"
1 33 CYS 0.004 0.002 14 0 "[ . 1 . 2]"
1 34 GLY 0.021 0.002 12 0 "[ . 1 . 2]"
1 35 HIS 0.003 0.001 18 0 "[ . 1 . 2]"
1 36 ARG 0.032 0.004 11 0 "[ . 1 . 2]"
1 37 PHE 0.135 0.012 15 0 "[ . 1 . 2]"
1 38 CYS 0.083 0.011 19 0 "[ . 1 . 2]"
1 39 GLU 0.030 0.006 17 0 "[ . 1 . 2]"
1 40 SER 0.023 0.003 19 0 "[ . 1 . 2]"
1 41 CYS 0.311 0.035 10 0 "[ . 1 . 2]"
1 42 MET 0.092 0.007 19 0 "[ . 1 . 2]"
1 43 ALA 0.011 0.004 12 0 "[ . 1 . 2]"
1 44 ALA 0.010 0.004 12 0 "[ . 1 . 2]"
1 45 LEU 0.037 0.004 19 0 "[ . 1 . 2]"
1 46 LEU 0.100 0.009 6 0 "[ . 1 . 2]"
1 47 SER 0.009 0.001 9 0 "[ . 1 . 2]"
1 48 SER 0.037 0.009 6 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.044 0.008 6 0 "[ . 1 . 2]"
1 51 PRO 0.124 0.008 6 0 "[ . 1 . 2]"
1 52 LYS 0.143 0.023 18 0 "[ . 1 . 2]"
1 53 CYS 0.213 0.014 12 0 "[ . 1 . 2]"
1 54 THR 0.077 0.012 15 0 "[ . 1 . 2]"
1 55 ALA 0.006 0.002 12 0 "[ . 1 . 2]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLN 0.112 0.023 18 0 "[ . 1 . 2]"
1 58 GLU 0.031 0.028 14 0 "[ . 1 . 2]"
1 59 SER 0.037 0.011 6 0 "[ . 1 . 2]"
1 60 ILE 0.379 0.038 9 0 "[ . 1 . 2]"
1 61 VAL 0.032 0.003 6 0 "[ . 1 . 2]"
1 62 LYS 0.022 0.002 15 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LYS 0.007 0.003 6 0 "[ . 1 . 2]"
1 65 VAL 0.015 0.004 19 0 "[ . 1 . 2]"
1 66 PHE 0.000 0.000 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 GLU H 1 14 ASP H . . 4.490 4.226 3.497 4.490 . 0 0 "[ . 1 . 2]" 2
2 1 12 VAL H 1 13 GLU H . . 4.440 3.987 2.222 4.410 . 0 0 "[ . 1 . 2]" 2
3 1 12 VAL HA 1 13 GLU H . . 2.920 2.235 2.141 2.917 . 0 0 "[ . 1 . 2]" 2
4 1 13 GLU H 1 13 GLU HB3 . . 3.760 3.552 2.530 3.774 0.014 11 0 "[ . 1 . 2]" 2
5 1 61 VAL H 1 61 VAL HB . . 3.110 2.743 2.576 2.898 . 0 0 "[ . 1 . 2]" 2
6 1 61 VAL H 1 62 LYS H . . 4.330 4.216 3.987 4.299 . 0 0 "[ . 1 . 2]" 2
7 1 52 LYS H 1 59 SER HA . . 4.580 4.563 4.531 4.589 0.009 20 0 "[ . 1 . 2]" 2
8 1 52 LYS H 1 53 CYS H . . 4.650 2.561 2.540 2.596 . 0 0 "[ . 1 . 2]" 2
9 1 52 LYS H 1 60 ILE HG13 . . 4.070 3.181 3.044 3.270 . 0 0 "[ . 1 . 2]" 2
10 1 30 GLN HE22 1 34 GLY HA2 . . 4.830 4.063 3.417 4.831 0.001 19 0 "[ . 1 . 2]" 2
11 1 30 GLN HE21 1 34 GLY HA2 . . 4.830 2.649 1.928 3.549 . 0 0 "[ . 1 . 2]" 2
12 1 53 CYS H 1 58 GLU H . . 3.780 3.401 3.271 3.519 . 0 0 "[ . 1 . 2]" 2
13 1 53 CYS H 1 53 CYS HB3 . . 3.340 3.287 3.280 3.301 . 0 0 "[ . 1 . 2]" 2
14 1 52 LYS HB3 1 53 CYS H . . 4.010 3.277 3.121 3.346 . 0 0 "[ . 1 . 2]" 2
15 1 59 SER HA 1 60 ILE H . . 2.780 2.154 2.138 2.184 . 0 0 "[ . 1 . 2]" 2
16 1 60 ILE H 1 60 ILE HB . . 3.250 3.022 2.915 3.142 . 0 0 "[ . 1 . 2]" 2
17 1 60 ILE H 1 60 ILE HG13 . . 3.310 2.173 1.900 2.315 . 0 0 "[ . 1 . 2]" 2
18 1 8 PHE HA 1 9 VAL H . . 2.960 2.339 2.140 2.897 . 0 0 "[ . 1 . 2]" 2
19 1 9 VAL H 1 9 VAL HB . . 3.570 2.938 2.216 3.527 . 0 0 "[ . 1 . 2]" 2
20 1 9 VAL H 1 10 LYS H . . 4.820 4.177 2.176 4.615 . 0 0 "[ . 1 . 2]" 2
21 1 31 THR MG 1 32 GLU H . . 4.450 3.584 3.537 4.075 . 0 0 "[ . 1 . 2]" 2
22 1 30 GLN H 1 66 PHE H . . 4.260 3.858 3.047 4.225 . 0 0 "[ . 1 . 2]" 2
23 1 29 LYS HA 1 30 GLN H . . 3.020 2.566 2.266 2.645 . 0 0 "[ . 1 . 2]" 2
24 1 30 GLN H 1 30 GLN HG3 . . 4.490 3.738 3.421 3.976 . 0 0 "[ . 1 . 2]" 2
25 1 30 GLN H 1 30 GLN HB3 . . 3.540 3.220 3.060 3.344 . 0 0 "[ . 1 . 2]" 2
26 1 30 GLN H 1 36 ARG HG3 . . 5.090 4.281 3.764 4.819 . 0 0 "[ . 1 . 2]" 2
27 1 30 GLN H 1 31 THR MG . . 5.390 5.098 4.791 5.194 . 0 0 "[ . 1 . 2]" 2
28 1 24 VAL H 1 24 VAL HB . . 3.080 2.392 2.307 2.519 . 0 0 "[ . 1 . 2]" 2
29 1 11 THR HA 1 12 VAL H . . 2.830 2.388 2.166 2.643 . 0 0 "[ . 1 . 2]" 2
30 1 12 VAL H 1 12 VAL HB . . 3.370 2.922 2.281 3.314 . 0 0 "[ . 1 . 2]" 2
31 1 11 THR MG 1 12 VAL H . . 4.030 2.452 1.887 4.031 0.001 7 0 "[ . 1 . 2]" 2
32 1 33 CYS HB3 1 34 GLY H . . 4.330 3.927 3.885 4.083 . 0 0 "[ . 1 . 2]" 2
33 1 31 THR HG1 1 34 GLY H . . 4.420 2.492 2.063 3.098 . 0 0 "[ . 1 . 2]" 2
34 1 32 GLU HA 1 34 GLY H . . 4.290 4.268 4.060 4.292 0.002 12 0 "[ . 1 . 2]" 2
35 1 34 GLY H 1 34 GLY HA2 . . 2.950 2.545 2.488 2.569 . 0 0 "[ . 1 . 2]" 2
36 1 13 GLU HA 1 14 ASP H . . 3.040 2.227 2.139 2.785 . 0 0 "[ . 1 . 2]" 2
37 1 19 GLU H 1 38 CYS H . . 4.620 4.302 4.198 4.377 . 0 0 "[ . 1 . 2]" 2
38 1 37 PHE QD 1 38 CYS H . . 4.590 3.329 3.246 3.520 . 0 0 "[ . 1 . 2]" 2
39 1 18 CYS HA 1 38 CYS H . . 4.210 3.597 3.497 3.639 . 0 0 "[ . 1 . 2]" 2
40 1 38 CYS H 1 38 CYS HB3 . . 3.690 2.684 2.598 2.743 . 0 0 "[ . 1 . 2]" 2
41 1 25 LEU MD2 1 38 CYS H . . 4.200 4.201 4.194 4.211 0.011 19 0 "[ . 1 . 2]" 2
42 1 13 GLU HB3 1 14 ASP H . . 4.530 3.636 1.934 4.311 . 0 0 "[ . 1 . 2]" 2
43 1 31 THR HG1 1 35 HIS H . . 4.150 3.603 3.362 4.116 . 0 0 "[ . 1 . 2]" 2
44 1 31 THR MG 1 35 HIS H . . 5.000 4.664 4.407 4.778 . 0 0 "[ . 1 . 2]" 2
45 1 31 THR H 1 35 HIS H . . 5.240 4.808 4.606 5.008 . 0 0 "[ . 1 . 2]" 2
46 1 65 VAL H 1 65 VAL HB . . 3.560 2.249 2.157 2.699 . 0 0 "[ . 1 . 2]" 2
47 1 63 ASP HA 1 65 VAL H . . 4.730 3.872 3.634 4.177 . 0 0 "[ . 1 . 2]" 2
48 1 65 VAL H 1 66 PHE H . . 4.880 4.558 4.473 4.590 . 0 0 "[ . 1 . 2]" 2
49 1 45 LEU H 1 45 LEU HB3 . . 3.920 3.584 3.578 3.587 . 0 0 "[ . 1 . 2]" 2
50 1 19 GLU HB3 1 20 LYS H . . 4.460 4.282 4.234 4.335 . 0 0 "[ . 1 . 2]" 2
51 1 20 LYS H 1 37 PHE QE . . 4.220 3.998 3.856 4.199 . 0 0 "[ . 1 . 2]" 2
52 1 20 LYS H 1 37 PHE QD . . 3.860 3.817 3.690 3.864 0.004 15 0 "[ . 1 . 2]" 2
53 1 18 CYS HA 1 20 LYS H . . 4.300 3.832 3.805 3.873 . 0 0 "[ . 1 . 2]" 2
54 1 20 LYS H 1 20 LYS HB3 . . 3.580 3.313 3.267 3.399 . 0 0 "[ . 1 . 2]" 2
55 1 20 LYS H 1 20 LYS HG3 . . 4.640 4.304 4.241 4.343 . 0 0 "[ . 1 . 2]" 2
56 1 53 CYS HA 1 58 GLU H . . 4.990 4.264 4.178 4.321 . 0 0 "[ . 1 . 2]" 2
57 1 53 CYS HB3 1 58 GLU H . . 3.390 1.942 1.891 2.077 . 0 0 "[ . 1 . 2]" 2
58 1 58 GLU H 1 58 GLU HB3 . . 3.610 3.162 2.516 3.638 0.028 14 0 "[ . 1 . 2]" 2
59 1 58 GLU H 1 59 SER H . . 4.120 2.490 2.240 2.930 . 0 0 "[ . 1 . 2]" 2
60 1 44 ALA H 1 45 LEU H . . 3.110 2.685 2.559 2.863 . 0 0 "[ . 1 . 2]" 2
61 1 43 ALA H 1 44 ALA H . . 3.090 2.649 2.580 2.713 . 0 0 "[ . 1 . 2]" 2
62 1 40 SER HA 1 44 ALA H . . 4.560 4.397 4.181 4.553 . 0 0 "[ . 1 . 2]" 2
63 1 44 ALA H 1 45 LEU HG . . 4.480 4.328 4.215 4.475 . 0 0 "[ . 1 . 2]" 2
64 1 44 ALA H 1 44 ALA MB . . 2.480 2.129 2.029 2.258 . 0 0 "[ . 1 . 2]" 2
65 1 44 ALA H 1 45 LEU MD2 . . 5.500 5.302 5.103 5.501 0.001 6 0 "[ . 1 . 2]" 2
66 1 35 HIS HB3 1 36 ARG H . . 3.530 2.141 1.945 2.493 . 0 0 "[ . 1 . 2]" 2
67 1 19 GLU HG3 1 36 ARG H . . 4.100 2.954 2.631 3.303 . 0 0 "[ . 1 . 2]" 2
68 1 36 ARG H 1 36 ARG HG3 . . 3.750 3.390 3.158 3.535 . 0 0 "[ . 1 . 2]" 2
69 1 36 ARG H 1 36 ARG HB3 . . 3.970 3.823 3.726 3.899 . 0 0 "[ . 1 . 2]" 2
70 1 16 TYR QD 1 17 LYS H . . 4.250 4.010 3.865 4.143 . 0 0 "[ . 1 . 2]" 2
71 1 17 LYS H 1 18 CYS H . . 4.710 4.275 4.198 4.300 . 0 0 "[ . 1 . 2]" 2
72 1 16 TYR HA 1 17 LYS H . . 2.930 2.535 2.442 2.716 . 0 0 "[ . 1 . 2]" 2
73 1 16 TYR HB3 1 17 LYS H . . 3.590 2.210 1.912 2.401 . 0 0 "[ . 1 . 2]" 2
74 1 17 LYS H 1 17 LYS HB3 . . 3.290 2.796 2.738 2.904 . 0 0 "[ . 1 . 2]" 2
75 1 43 ALA H 1 45 LEU H . . 4.940 4.643 4.454 4.824 . 0 0 "[ . 1 . 2]" 2
76 1 40 SER HA 1 43 ALA H . . 3.810 3.668 3.564 3.747 . 0 0 "[ . 1 . 2]" 2
77 1 42 MET HB3 1 43 ALA H . . 3.420 2.366 2.277 2.485 . 0 0 "[ . 1 . 2]" 2
78 1 16 TYR H 1 16 TYR HB3 . . 3.820 3.708 3.591 3.783 . 0 0 "[ . 1 . 2]" 2
79 1 15 LYS HA 1 16 TYR H . . 2.960 2.587 2.267 2.797 . 0 0 "[ . 1 . 2]" 2
80 1 16 TYR H 1 24 VAL MG1 . . 4.620 3.708 3.310 4.020 . 0 0 "[ . 1 . 2]" 2
81 1 42 MET HG3 1 43 ALA H . . 4.420 3.231 2.984 3.489 . 0 0 "[ . 1 . 2]" 2
82 1 43 ALA H 1 46 LEU MD1 . . 4.800 4.010 3.848 4.289 . 0 0 "[ . 1 . 2]" 2
83 1 15 LYS H 1 16 TYR H . . 4.510 4.371 4.259 4.522 0.012 16 0 "[ . 1 . 2]" 2
84 1 14 ASP H 1 15 LYS H . . 4.340 4.265 4.043 4.340 0.000 5 0 "[ . 1 . 2]" 2
85 1 14 ASP HA 1 15 LYS H . . 2.850 2.496 2.139 2.843 . 0 0 "[ . 1 . 2]" 2
86 1 15 LYS H 1 15 LYS HB3 . . 4.080 3.670 2.695 4.022 . 0 0 "[ . 1 . 2]" 2
87 1 63 ASP H 1 64 LYS H . . 3.550 2.722 2.583 2.865 . 0 0 "[ . 1 . 2]" 2
88 1 64 LYS H 1 65 VAL H . . 3.390 2.427 2.178 2.750 . 0 0 "[ . 1 . 2]" 2
89 1 63 ASP HB3 1 64 LYS H . . 4.610 3.083 2.495 4.088 . 0 0 "[ . 1 . 2]" 2
90 1 64 LYS H 1 64 LYS HB3 . . 3.850 3.638 3.591 3.685 . 0 0 "[ . 1 . 2]" 2
91 1 64 LYS H 1 64 LYS HG3 . . 4.160 3.361 2.790 3.641 . 0 0 "[ . 1 . 2]" 2
92 1 61 VAL MG1 1 64 LYS H . . 3.610 1.959 1.880 2.109 . 0 0 "[ . 1 . 2]" 2
93 1 39 GLU H 1 39 GLU HG3 . . 3.860 2.833 2.512 3.173 . 0 0 "[ . 1 . 2]" 2
94 1 38 CYS H 1 39 GLU H . . 4.740 4.560 4.520 4.578 . 0 0 "[ . 1 . 2]" 2
95 1 38 CYS HB3 1 42 MET H . . 5.500 5.389 5.322 5.435 . 0 0 "[ . 1 . 2]" 2
96 1 38 CYS H 1 42 MET H . . 4.550 3.611 3.455 3.790 . 0 0 "[ . 1 . 2]" 2
97 1 41 CYS H 1 42 MET H . . 3.310 3.086 3.012 3.120 . 0 0 "[ . 1 . 2]" 2
98 1 40 SER H 1 42 MET H . . 4.330 4.227 3.926 4.333 0.003 7 0 "[ . 1 . 2]" 2
99 1 42 MET H 1 43 ALA H . . 3.250 2.931 2.851 2.981 . 0 0 "[ . 1 . 2]" 2
100 1 42 MET H 1 44 ALA H . . 4.340 3.907 3.776 4.007 . 0 0 "[ . 1 . 2]" 2
101 1 39 GLU HA 1 42 MET H . . 4.240 4.162 4.108 4.240 . 0 0 "[ . 1 . 2]" 2
102 1 37 PHE HB3 1 42 MET H . . 3.740 3.162 3.049 3.323 . 0 0 "[ . 1 . 2]" 2
103 1 41 CYS HB3 1 42 MET H . . 3.780 3.493 3.378 3.685 . 0 0 "[ . 1 . 2]" 2
104 1 42 MET H 1 42 MET HG3 . . 4.550 4.377 4.345 4.403 . 0 0 "[ . 1 . 2]" 2
105 1 42 MET H 1 42 MET HB3 . . 3.140 2.430 2.377 2.453 . 0 0 "[ . 1 . 2]" 2
106 1 42 MET H 1 42 MET ME . . 4.190 3.607 3.536 3.752 . 0 0 "[ . 1 . 2]" 2
107 1 21 CYS H 1 37 PHE QE . . 5.500 5.154 5.054 5.504 0.004 19 0 "[ . 1 . 2]" 2
108 1 21 CYS H 1 22 HIS H . . 2.980 2.327 2.292 2.438 . 0 0 "[ . 1 . 2]" 2
109 1 21 CYS H 1 37 PHE QD . . 4.560 4.521 4.435 4.560 . 0 0 "[ . 1 . 2]" 2
110 1 18 CYS HA 1 21 CYS H . . 5.180 5.113 5.057 5.185 0.005 16 0 "[ . 1 . 2]" 2
111 1 18 CYS HB3 1 21 CYS H . . 3.590 2.999 2.928 3.121 . 0 0 "[ . 1 . 2]" 2
112 1 21 CYS H 1 38 CYS HB3 . . 5.200 5.147 5.045 5.206 0.006 15 0 "[ . 1 . 2]" 2
113 1 20 LYS HB3 1 21 CYS H . . 3.090 2.248 2.158 2.331 . 0 0 "[ . 1 . 2]" 2
114 1 21 CYS H 1 21 CYS HB3 . . 3.550 2.992 2.903 3.032 . 0 0 "[ . 1 . 2]" 2
115 1 20 LYS HD3 1 21 CYS H . . 5.010 4.897 4.763 5.001 . 0 0 "[ . 1 . 2]" 2
116 1 63 ASP H 1 63 ASP HB3 . . 3.720 3.106 2.127 3.593 . 0 0 "[ . 1 . 2]" 2
117 1 62 LYS HG3 1 63 ASP H . . 4.820 2.313 1.902 2.750 . 0 0 "[ . 1 . 2]" 2
118 1 29 LYS HA 1 66 PHE H . . 4.360 3.493 3.107 4.227 . 0 0 "[ . 1 . 2]" 2
119 1 65 VAL HB 1 66 PHE H . . 4.610 4.232 3.584 4.409 . 0 0 "[ . 1 . 2]" 2
120 1 48 SER H 1 51 PRO HA . . 5.000 4.620 4.421 4.869 . 0 0 "[ . 1 . 2]" 2
121 1 46 LEU HA 1 48 SER H . . 3.550 3.512 3.445 3.559 0.009 6 0 "[ . 1 . 2]" 2
122 1 48 SER H 1 48 SER HB3 . . 3.360 2.595 2.491 2.678 . 0 0 "[ . 1 . 2]" 2
123 1 46 LEU H 1 48 SER H . . 4.850 4.357 4.043 4.507 . 0 0 "[ . 1 . 2]" 2
124 1 48 SER H 1 51 PRO HB3 . . 4.140 3.544 3.413 3.703 . 0 0 "[ . 1 . 2]" 2
125 1 45 LEU MD2 1 48 SER H . . 5.500 5.478 5.290 5.502 0.002 4 0 "[ . 1 . 2]" 2
126 1 46 LEU MD2 1 48 SER H . . 5.500 5.232 5.118 5.343 . 0 0 "[ . 1 . 2]" 2
127 1 10 LYS HA 1 11 THR H . . 3.530 2.590 2.140 3.527 . 0 0 "[ . 1 . 2]" 2
128 1 42 MET HA 1 46 LEU H . . 4.300 4.134 4.058 4.282 . 0 0 "[ . 1 . 2]" 2
129 1 45 LEU HG 1 46 LEU H . . 4.500 4.179 3.996 4.315 . 0 0 "[ . 1 . 2]" 2
130 1 45 LEU MD1 1 46 LEU H . . 4.890 4.217 4.072 4.389 . 0 0 "[ . 1 . 2]" 2
131 1 44 ALA H 1 46 LEU H . . 4.570 4.149 3.976 4.302 . 0 0 "[ . 1 . 2]" 2
132 1 46 LEU H 1 46 LEU HB3 . . 3.610 3.585 3.581 3.589 . 0 0 "[ . 1 . 2]" 2
133 1 45 LEU HB3 1 46 LEU H . . 3.950 3.494 3.286 3.645 . 0 0 "[ . 1 . 2]" 2
134 1 46 LEU H 1 46 LEU MD1 . . 3.930 3.453 3.291 3.601 . 0 0 "[ . 1 . 2]" 2
135 1 19 GLU H 1 19 GLU HG3 . . 4.580 4.264 4.151 4.361 . 0 0 "[ . 1 . 2]" 2
136 1 18 CYS HB3 1 19 GLU H . . 4.820 4.119 4.103 4.148 . 0 0 "[ . 1 . 2]" 2
137 1 36 ARG HA 1 37 PHE H . . 3.050 2.342 2.283 2.425 . 0 0 "[ . 1 . 2]" 2
138 1 36 ARG HB3 1 37 PHE H . . 3.860 2.583 2.375 2.745 . 0 0 "[ . 1 . 2]" 2
139 1 37 PHE H 1 37 PHE QD . . 3.790 3.269 3.143 3.373 . 0 0 "[ . 1 . 2]" 2
140 1 37 PHE H 1 37 PHE HB3 . . 3.980 3.815 3.765 3.867 . 0 0 "[ . 1 . 2]" 2
141 1 25 LEU MD1 1 37 PHE H . . 4.900 3.879 3.743 4.005 . 0 0 "[ . 1 . 2]" 2
142 1 53 CYS HB3 1 56 CYS H . . 4.720 3.482 3.419 3.591 . 0 0 "[ . 1 . 2]" 2
143 1 55 ALA H 1 57 GLN H . . 4.400 3.928 3.782 4.076 . 0 0 "[ . 1 . 2]" 2
144 1 53 CYS H 1 57 GLN H . . 4.670 4.002 3.943 4.099 . 0 0 "[ . 1 . 2]" 2
145 1 57 GLN H 1 57 GLN HA . . 2.860 2.304 2.298 2.306 . 0 0 "[ . 1 . 2]" 2
146 1 55 ALA MB 1 57 GLN H . . 4.360 3.503 3.483 3.547 . 0 0 "[ . 1 . 2]" 2
147 1 40 SER H 1 41 CYS H . . 3.390 3.359 3.277 3.391 0.001 20 0 "[ . 1 . 2]" 2
148 1 39 GLU H 1 40 SER H . . 3.420 3.077 2.965 3.137 . 0 0 "[ . 1 . 2]" 2
149 1 39 GLU HB3 1 40 SER H . . 3.450 2.824 2.644 3.152 . 0 0 "[ . 1 . 2]" 2
150 1 40 SER H 1 43 ALA MB . . 4.810 4.728 4.643 4.812 0.002 12 0 "[ . 1 . 2]" 2
151 1 18 CYS H 1 22 HIS H . . 4.400 4.352 4.333 4.408 0.008 19 0 "[ . 1 . 2]" 2
152 1 22 HIS H 1 23 LEU H . . 3.420 2.650 2.599 2.665 . 0 0 "[ . 1 . 2]" 2
153 1 22 HIS H 1 22 HIS HA . . 2.680 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 2
154 1 18 CYS HB3 1 22 HIS H . . 3.260 2.956 2.910 2.983 . 0 0 "[ . 1 . 2]" 2
155 1 21 CYS HB3 1 22 HIS H . . 4.600 4.460 4.421 4.470 . 0 0 "[ . 1 . 2]" 2
156 1 17 LYS HG3 1 22 HIS H . . 4.820 4.629 4.595 4.656 . 0 0 "[ . 1 . 2]" 2
157 1 20 LYS H 1 22 HIS H . . 3.900 2.446 2.403 2.476 . 0 0 "[ . 1 . 2]" 2
158 1 22 HIS H 1 22 HIS HD2 . . 3.990 2.618 2.573 2.685 . 0 0 "[ . 1 . 2]" 2
159 1 18 CYS HA 1 22 HIS H . . 5.110 4.920 4.898 4.955 . 0 0 "[ . 1 . 2]" 2
160 1 24 VAL MG2 1 25 LEU H . . 4.110 3.994 3.858 4.096 . 0 0 "[ . 1 . 2]" 2
161 1 25 LEU H 1 25 LEU HG . . 3.500 1.926 1.899 2.089 . 0 0 "[ . 1 . 2]" 2
162 1 25 LEU H 1 25 LEU HB3 . . 3.940 3.700 3.681 3.776 . 0 0 "[ . 1 . 2]" 2
163 1 46 LEU MD2 1 62 LYS H . . 4.850 2.416 2.118 2.719 . 0 0 "[ . 1 . 2]" 2
164 1 61 VAL HA 1 62 LYS H . . 3.040 2.150 2.140 2.184 . 0 0 "[ . 1 . 2]" 2
165 1 61 VAL MG1 1 62 LYS H . . 3.780 2.524 2.190 2.795 . 0 0 "[ . 1 . 2]" 2
166 1 30 GLN HG3 1 31 THR H . . 4.200 3.944 3.651 4.179 . 0 0 "[ . 1 . 2]" 2
167 1 31 THR H 1 34 GLY H . . 4.090 3.660 2.972 3.960 . 0 0 "[ . 1 . 2]" 2
168 1 31 THR H 1 31 THR HG1 . . 4.980 2.431 2.198 2.927 . 0 0 "[ . 1 . 2]" 2
169 1 30 GLN HA 1 31 THR H . . 3.140 2.169 2.138 2.559 . 0 0 "[ . 1 . 2]" 2
170 1 30 GLN HB3 1 31 THR H . . 4.160 3.886 2.422 4.160 0.000 11 0 "[ . 1 . 2]" 2
171 1 9 VAL HA 1 10 LYS H . . 3.040 2.310 2.139 3.014 . 0 0 "[ . 1 . 2]" 2
172 1 9 VAL HB 1 10 LYS H . . 4.550 4.192 3.817 4.540 . 0 0 "[ . 1 . 2]" 2
173 1 10 LYS H 1 10 LYS HB3 . . 4.010 3.335 2.568 3.946 . 0 0 "[ . 1 . 2]" 2
174 1 54 THR HA 1 57 GLN HE21 . . 4.230 2.738 2.014 3.858 . 0 0 "[ . 1 . 2]" 2
175 1 54 THR H 1 55 ALA H . . 4.400 3.034 2.997 3.077 . 0 0 "[ . 1 . 2]" 2
176 1 55 ALA H 1 56 CYS H . . 3.890 3.220 3.167 3.302 . 0 0 "[ . 1 . 2]" 2
177 1 18 CYS H 1 22 HIS HA . . 4.650 3.648 3.620 3.785 . 0 0 "[ . 1 . 2]" 2
178 1 57 GLN H 1 57 GLN HE21 . . 4.790 4.217 3.821 4.741 . 0 0 "[ . 1 . 2]" 2
179 1 46 LEU H 1 47 SER H . . 3.160 2.765 2.685 2.824 . 0 0 "[ . 1 . 2]" 2
180 1 47 SER H 1 47 SER HB3 . . 3.240 2.892 2.547 3.200 . 0 0 "[ . 1 . 2]" 2
181 1 47 SER H 1 51 PRO HB3 . . 4.800 4.527 4.407 4.725 . 0 0 "[ . 1 . 2]" 2
182 1 46 LEU HB3 1 47 SER H . . 4.080 3.841 3.688 3.945 . 0 0 "[ . 1 . 2]" 2
183 1 46 LEU MD1 1 47 SER H . . 4.920 4.552 4.314 4.719 . 0 0 "[ . 1 . 2]" 2
184 1 46 LEU MD2 1 47 SER H . . 4.960 4.753 4.666 4.834 . 0 0 "[ . 1 . 2]" 2
185 1 33 CYS H 1 34 GLY HA3 . . 4.840 4.679 4.594 4.723 . 0 0 "[ . 1 . 2]" 2
186 1 32 GLU H 1 33 CYS H . . 3.670 2.508 2.427 2.618 . 0 0 "[ . 1 . 2]" 2
187 1 31 THR HG1 1 33 CYS H . . 3.760 2.331 1.906 2.903 . 0 0 "[ . 1 . 2]" 2
188 1 33 CYS H 1 33 CYS HB3 . . 3.430 2.880 2.829 2.959 . 0 0 "[ . 1 . 2]" 2
189 1 31 THR MG 1 33 CYS H . . 4.250 4.021 3.951 4.074 . 0 0 "[ . 1 . 2]" 2
190 1 52 LYS H 1 60 ILE H . . 4.710 4.413 4.080 4.661 . 0 0 "[ . 1 . 2]" 2
191 1 60 ILE H 1 61 VAL H . . 5.070 4.182 3.921 4.447 . 0 0 "[ . 1 . 2]" 2
192 1 37 PHE QE 1 54 THR H . . 4.700 3.580 3.460 3.650 . 0 0 "[ . 1 . 2]" 2
193 1 51 PRO HG3 1 60 ILE H . . 5.230 4.445 4.354 4.529 . 0 0 "[ . 1 . 2]" 2
194 1 29 LYS H 1 30 GLN H . . 4.450 3.209 3.025 3.660 . 0 0 "[ . 1 . 2]" 2
195 1 57 GLN HA 1 57 GLN HE21 . . 4.710 3.216 2.493 4.602 . 0 0 "[ . 1 . 2]" 2
196 1 18 CYS H 1 23 LEU H . . 4.090 2.971 2.934 3.049 . 0 0 "[ . 1 . 2]" 2
197 1 15 LYS H 1 16 TYR QD . . 5.500 5.218 4.700 5.499 . 0 0 "[ . 1 . 2]" 2
198 1 16 TYR H 1 17 LYS H . . 4.760 4.486 4.384 4.605 . 0 0 "[ . 1 . 2]" 2
199 1 17 LYS H 1 24 VAL HA . . 5.140 4.558 4.418 4.660 . 0 0 "[ . 1 . 2]" 2
200 1 17 LYS H 1 25 LEU H . . 4.300 4.117 3.938 4.200 . 0 0 "[ . 1 . 2]" 2
201 1 17 LYS H 1 17 LYS HG3 . . 5.210 5.086 5.050 5.139 . 0 0 "[ . 1 . 2]" 2
202 1 19 GLU H 1 20 LYS H . . 3.760 2.903 2.874 2.949 . 0 0 "[ . 1 . 2]" 2
203 1 33 CYS H 1 35 HIS H . . 4.470 4.262 4.146 4.360 . 0 0 "[ . 1 . 2]" 2
204 1 21 CYS H 1 23 LEU H . . 4.230 3.441 3.393 3.531 . 0 0 "[ . 1 . 2]" 2
205 1 19 GLU H 1 21 CYS H . . 5.130 4.907 4.848 4.981 . 0 0 "[ . 1 . 2]" 2
206 1 20 LYS H 1 21 CYS H . . 3.110 2.376 2.319 2.474 . 0 0 "[ . 1 . 2]" 2
207 1 24 VAL H 1 25 LEU H . . 5.170 4.431 4.368 4.481 . 0 0 "[ . 1 . 2]" 2
208 1 18 CYS H 1 25 LEU H . . 4.590 4.079 3.757 4.226 . 0 0 "[ . 1 . 2]" 2
209 1 33 CYS H 1 34 GLY H . . 3.020 1.915 1.809 1.971 . 0 0 "[ . 1 . 2]" 2
210 1 35 HIS H 1 36 ARG H . . 4.820 4.608 4.567 4.651 . 0 0 "[ . 1 . 2]" 2
211 1 39 GLU H 1 41 CYS H . . 5.500 5.329 5.105 5.485 . 0 0 "[ . 1 . 2]" 2
212 1 41 CYS H 1 43 ALA H . . 4.840 4.687 4.541 4.786 . 0 0 "[ . 1 . 2]" 2
213 1 43 ALA HA 1 44 ALA H . . 3.500 3.461 3.400 3.504 0.004 12 0 "[ . 1 . 2]" 2
214 1 42 MET HB3 1 44 ALA H . . 4.840 4.623 4.498 4.733 . 0 0 "[ . 1 . 2]" 2
215 1 46 LEU H 1 46 LEU HG . . 2.990 2.078 1.966 2.252 . 0 0 "[ . 1 . 2]" 2
216 1 47 SER H 1 48 SER H . . 3.080 2.843 2.645 2.972 . 0 0 "[ . 1 . 2]" 2
217 1 62 LYS H 1 63 ASP H . . 4.080 2.906 2.748 3.070 . 0 0 "[ . 1 . 2]" 2
218 1 7 GLY HA2 1 8 PHE HA . . 5.360 4.466 4.312 4.981 . 0 0 "[ . 1 . 2]" 2
219 1 7 GLY HA3 1 8 PHE HA . . 5.360 4.517 4.343 4.856 . 0 0 "[ . 1 . 2]" 2
220 1 30 GLN HB3 1 34 GLY HA2 . . 5.440 5.023 4.850 5.199 . 0 0 "[ . 1 . 2]" 2
221 1 33 CYS H 1 34 GLY HA2 . . 4.440 4.292 4.245 4.356 . 0 0 "[ . 1 . 2]" 2
222 1 33 CYS HA 1 34 GLY HA2 . . 5.070 4.937 4.921 4.964 . 0 0 "[ . 1 . 2]" 2
223 1 37 PHE HB3 1 38 CYS H . . 3.660 2.305 2.216 2.465 . 0 0 "[ . 1 . 2]" 2
224 1 19 GLU H 1 37 PHE HB3 . . 4.860 4.295 4.259 4.332 . 0 0 "[ . 1 . 2]" 2
225 1 37 PHE HB3 1 41 CYS HB3 . . 3.910 3.516 3.452 3.546 . 0 0 "[ . 1 . 2]" 2
226 1 37 PHE HB3 1 42 MET HB3 . . 4.900 4.412 4.245 4.622 . 0 0 "[ . 1 . 2]" 2
227 1 31 THR MG 1 37 PHE HB3 . . 5.500 5.280 4.985 5.492 . 0 0 "[ . 1 . 2]" 2
228 1 25 LEU HB3 1 38 CYS HB3 . . 5.500 5.234 5.111 5.381 . 0 0 "[ . 1 . 2]" 2
229 1 44 ALA MB 1 45 LEU H . . 3.040 2.362 2.245 2.588 . 0 0 "[ . 1 . 2]" 2
230 1 44 ALA MB 1 45 LEU MD2 . . 3.960 3.419 3.184 3.659 . 0 0 "[ . 1 . 2]" 2
231 1 44 ALA MB 1 45 LEU MD1 . . 4.680 4.443 4.354 4.510 . 0 0 "[ . 1 . 2]" 2
232 1 55 ALA H 1 55 ALA MB . . 2.950 2.041 2.027 2.060 . 0 0 "[ . 1 . 2]" 2
233 1 55 ALA MB 1 56 CYS H . . 3.120 1.860 1.851 1.868 . 0 0 "[ . 1 . 2]" 2
234 1 35 HIS HE1 1 55 ALA MB . . 3.920 2.790 2.709 2.886 . 0 0 "[ . 1 . 2]" 2
235 1 37 PHE QE 1 55 ALA MB . . 4.650 2.875 2.627 3.392 . 0 0 "[ . 1 . 2]" 2
236 1 55 ALA MB 1 56 CYS HB3 . . 4.100 3.419 3.305 3.456 . 0 0 "[ . 1 . 2]" 2
237 1 19 GLU HG3 1 55 ALA MB . . 3.500 2.375 2.095 2.567 . 0 0 "[ . 1 . 2]" 2
238 1 36 ARG H 1 55 ALA MB . . 4.630 4.322 4.180 4.584 . 0 0 "[ . 1 . 2]" 2
239 1 37 PHE HZ 1 55 ALA MB . . 4.060 2.923 2.642 3.101 . 0 0 "[ . 1 . 2]" 2
240 1 54 THR H 1 55 ALA MB . . 4.760 4.569 4.557 4.576 . 0 0 "[ . 1 . 2]" 2
241 1 55 ALA MB 1 56 CYS HA . . 4.430 3.891 3.851 3.915 . 0 0 "[ . 1 . 2]" 2
242 1 54 THR HB 1 55 ALA MB . . 4.830 4.651 4.598 4.759 . 0 0 "[ . 1 . 2]" 2
243 1 35 HIS HB3 1 55 ALA MB . . 3.760 2.673 2.485 2.761 . 0 0 "[ . 1 . 2]" 2
244 1 19 GLU HB3 1 55 ALA MB . . 3.810 2.696 2.523 2.792 . 0 0 "[ . 1 . 2]" 2
245 1 41 CYS H 1 44 ALA MB . . 4.420 4.224 4.123 4.333 . 0 0 "[ . 1 . 2]" 2
246 1 42 MET H 1 43 ALA MB . . 4.870 4.481 4.374 4.567 . 0 0 "[ . 1 . 2]" 2
247 1 42 MET H 1 44 ALA MB . . 5.230 4.490 4.345 4.614 . 0 0 "[ . 1 . 2]" 2
248 1 44 ALA MB 1 47 SER H . . 4.570 4.553 4.467 4.571 0.001 5 0 "[ . 1 . 2]" 2
249 1 43 ALA H 1 43 ALA MB . . 2.580 2.095 2.029 2.233 . 0 0 "[ . 1 . 2]" 2
250 1 40 SER HA 1 43 ALA MB . . 3.070 2.957 2.837 3.046 . 0 0 "[ . 1 . 2]" 2
251 1 43 ALA MB 1 46 LEU MD1 . . 4.060 3.566 3.268 3.844 . 0 0 "[ . 1 . 2]" 2
252 1 31 THR H 1 60 ILE MG . . 4.630 4.455 4.074 4.631 0.001 15 0 "[ . 1 . 2]" 2
253 1 60 ILE MG 1 61 VAL H . . 3.400 2.905 2.430 3.344 . 0 0 "[ . 1 . 2]" 2
254 1 60 ILE H 1 60 ILE MG . . 3.920 3.912 3.829 3.958 0.038 9 0 "[ . 1 . 2]" 2
255 1 60 ILE HA 1 60 ILE MG . . 2.980 2.034 1.977 2.139 . 0 0 "[ . 1 . 2]" 2
256 1 60 ILE MG 1 61 VAL HA . . 4.650 4.240 4.039 4.458 . 0 0 "[ . 1 . 2]" 2
257 1 60 ILE MG 1 62 LYS HA . . 5.060 4.906 4.665 5.055 . 0 0 "[ . 1 . 2]" 2
258 1 53 CYS HA 1 60 ILE MG . . 4.510 4.097 3.994 4.242 . 0 0 "[ . 1 . 2]" 2
259 1 42 MET HG3 1 60 ILE MG . . 4.900 4.041 3.672 4.603 . 0 0 "[ . 1 . 2]" 2
260 1 31 THR MG 1 60 ILE MG . . 2.900 1.805 1.705 1.888 . 0 0 "[ . 1 . 2]" 2
261 1 45 LEU MD1 1 60 ILE MG . . 4.560 3.117 2.860 3.506 . 0 0 "[ . 1 . 2]" 2
262 1 11 THR HB 1 12 VAL H . . 3.850 3.179 2.447 3.853 0.003 13 0 "[ . 1 . 2]" 2
263 1 37 PHE H 1 42 MET ME . . 4.170 3.719 3.128 4.158 . 0 0 "[ . 1 . 2]" 2
264 1 42 MET ME 1 45 LEU H . . 5.500 4.700 4.351 5.153 . 0 0 "[ . 1 . 2]" 2
265 1 42 MET ME 1 46 LEU H . . 5.500 4.375 3.835 5.082 . 0 0 "[ . 1 . 2]" 2
266 1 37 PHE QE 1 42 MET ME . . 4.550 4.432 4.326 4.497 . 0 0 "[ . 1 . 2]" 2
267 1 37 PHE QD 1 42 MET ME . . 3.350 3.029 2.834 3.188 . 0 0 "[ . 1 . 2]" 2
268 1 37 PHE HA 1 42 MET ME . . 4.840 4.462 4.228 4.690 . 0 0 "[ . 1 . 2]" 2
269 1 29 LYS HA 1 42 MET ME . . 5.500 5.134 4.517 5.506 0.006 16 0 "[ . 1 . 2]" 2
270 1 42 MET HA 1 42 MET ME . . 3.620 1.865 1.787 1.981 . 0 0 "[ . 1 . 2]" 2
271 1 37 PHE HB3 1 42 MET ME . . 3.630 2.784 2.718 2.916 . 0 0 "[ . 1 . 2]" 2
272 1 42 MET ME 1 60 ILE MG . . 3.310 1.947 1.675 2.399 . 0 0 "[ . 1 . 2]" 2
273 1 11 THR HB 1 13 GLU H . . 5.190 4.746 3.775 5.194 0.004 5 0 "[ . 1 . 2]" 2
274 1 11 THR HA 1 11 THR HB . . 2.970 2.842 2.225 2.970 . 0 0 "[ . 1 . 2]" 2
275 1 36 ARG HA 1 42 MET ME . . 5.080 4.607 4.177 5.082 0.002 19 0 "[ . 1 . 2]" 2
276 1 16 TYR HB3 1 36 ARG HD3 . . 4.050 2.783 2.424 3.298 . 0 0 "[ . 1 . 2]" 2
277 1 28 PRO HG3 1 36 ARG HD3 . . 4.100 2.203 1.999 2.676 . 0 0 "[ . 1 . 2]" 2
278 1 36 ARG HB3 1 36 ARG HD3 . . 3.820 3.186 2.886 3.463 . 0 0 "[ . 1 . 2]" 2
279 1 25 LEU MD1 1 36 ARG HD3 . . 5.290 5.001 4.769 5.290 0.000 8 0 "[ . 1 . 2]" 2
280 1 36 ARG H 1 36 ARG HD3 . . 5.500 5.436 5.067 5.502 0.002 4 0 "[ . 1 . 2]" 2
281 1 36 ARG HA 1 36 ARG HD3 . . 4.930 4.733 4.664 4.822 . 0 0 "[ . 1 . 2]" 2
282 1 23 LEU H 1 23 LEU HB3 . . 3.720 3.405 3.384 3.450 . 0 0 "[ . 1 . 2]" 2
283 1 23 LEU HB3 1 24 VAL H . . 4.070 3.650 3.617 3.698 . 0 0 "[ . 1 . 2]" 2
284 1 37 PHE HZ 1 54 THR HB . . 4.230 2.294 1.998 3.048 . 0 0 "[ . 1 . 2]" 2
285 1 53 CYS HA 1 54 THR HB . . 4.670 4.175 4.171 4.185 . 0 0 "[ . 1 . 2]" 2
286 1 20 LYS HD3 1 54 THR HB . . 5.500 4.720 4.539 4.789 . 0 0 "[ . 1 . 2]" 2
287 1 54 THR HB 1 55 ALA H . . 4.110 3.176 3.086 3.313 . 0 0 "[ . 1 . 2]" 2
288 1 37 PHE QE 1 54 THR HB . . 3.930 2.319 2.248 2.368 . 0 0 "[ . 1 . 2]" 2
289 1 54 THR H 1 54 THR HB . . 4.030 2.196 2.173 2.222 . 0 0 "[ . 1 . 2]" 2
290 1 45 LEU HB3 1 60 ILE HB . . 4.400 4.029 3.710 4.349 . 0 0 "[ . 1 . 2]" 2
291 1 42 MET HA 1 45 LEU HB3 . . 5.240 5.042 4.951 5.196 . 0 0 "[ . 1 . 2]" 2
292 1 42 MET ME 1 45 LEU HB3 . . 5.230 4.714 4.286 5.231 0.001 12 0 "[ . 1 . 2]" 2
293 1 45 LEU HB3 1 46 LEU HG . . 5.500 4.674 4.497 4.935 . 0 0 "[ . 1 . 2]" 2
294 1 45 LEU HB3 1 60 ILE HG13 . . 4.700 4.283 4.155 4.490 . 0 0 "[ . 1 . 2]" 2
295 1 46 LEU HB3 1 46 LEU MD2 . . 3.250 2.255 2.174 2.350 . 0 0 "[ . 1 . 2]" 2
296 1 16 TYR HB3 1 25 LEU HG . . 4.930 4.567 4.402 4.879 . 0 0 "[ . 1 . 2]" 2
297 1 16 TYR HB3 1 28 PRO HG3 . . 4.770 2.279 1.998 2.973 . 0 0 "[ . 1 . 2]" 2
298 1 16 TYR HB3 1 36 ARG HG3 . . 5.290 5.123 4.926 5.293 0.003 17 0 "[ . 1 . 2]" 2
299 1 16 TYR HB3 1 25 LEU MD1 . . 4.320 3.938 3.798 4.176 . 0 0 "[ . 1 . 2]" 2
300 1 66 PHE H 1 66 PHE HB3 . . 4.110 3.637 2.135 4.059 . 0 0 "[ . 1 . 2]" 2
301 1 53 CYS H 1 60 ILE MD . . 4.150 2.841 2.716 2.975 . 0 0 "[ . 1 . 2]" 2
302 1 45 LEU H 1 60 ILE MD . . 5.500 4.478 4.358 4.587 . 0 0 "[ . 1 . 2]" 2
303 1 46 LEU H 1 60 ILE MD . . 5.500 3.856 3.697 4.085 . 0 0 "[ . 1 . 2]" 2
304 1 52 LYS H 1 60 ILE MD . . 4.120 2.531 2.266 2.735 . 0 0 "[ . 1 . 2]" 2
305 1 60 ILE H 1 60 ILE MD . . 4.060 3.751 3.566 3.883 . 0 0 "[ . 1 . 2]" 2
306 1 37 PHE QE 1 60 ILE MD . . 4.500 3.929 3.708 4.152 . 0 0 "[ . 1 . 2]" 2
307 1 59 SER HA 1 60 ILE MD . . 4.800 4.686 4.594 4.811 0.011 6 0 "[ . 1 . 2]" 2
308 1 45 LEU HA 1 60 ILE MD . . 4.400 4.077 3.944 4.241 . 0 0 "[ . 1 . 2]" 2
309 1 46 LEU HA 1 60 ILE MD . . 4.780 4.241 4.105 4.410 . 0 0 "[ . 1 . 2]" 2
310 1 53 CYS HA 1 60 ILE MD . . 3.480 2.063 1.954 2.224 . 0 0 "[ . 1 . 2]" 2
311 1 42 MET ME 1 60 ILE MD . . 3.440 3.129 2.797 3.442 0.002 8 0 "[ . 1 . 2]" 2
312 1 45 LEU HG 1 60 ILE MD . . 4.420 3.735 3.605 3.951 . 0 0 "[ . 1 . 2]" 2
313 1 60 ILE HB 1 60 ILE MD . . 3.250 2.263 2.249 2.317 . 0 0 "[ . 1 . 2]" 2
314 1 45 LEU HB3 1 60 ILE MD . . 3.780 2.030 1.891 2.223 . 0 0 "[ . 1 . 2]" 2
315 1 60 ILE MD 1 60 ILE MG . . 2.840 2.202 2.023 2.262 . 0 0 "[ . 1 . 2]" 2
316 1 60 ILE HB 1 61 VAL H . . 4.460 4.034 3.817 4.198 . 0 0 "[ . 1 . 2]" 2
317 1 59 SER HA 1 60 ILE HB . . 5.380 5.030 4.991 5.109 . 0 0 "[ . 1 . 2]" 2
318 1 40 SER HA 1 41 CYS HA . . 5.080 4.836 4.827 4.855 . 0 0 "[ . 1 . 2]" 2
319 1 41 CYS HA 1 45 LEU H . . 4.350 4.024 3.911 4.104 . 0 0 "[ . 1 . 2]" 2
320 1 41 CYS HA 1 44 ALA H . . 3.620 3.421 3.314 3.501 . 0 0 "[ . 1 . 2]" 2
321 1 41 CYS HA 1 44 ALA MB . . 2.910 2.312 2.099 2.407 . 0 0 "[ . 1 . 2]" 2
322 1 41 CYS HA 1 45 LEU MD1 . . 4.860 4.805 4.558 4.861 0.001 9 0 "[ . 1 . 2]" 2
323 1 54 THR HA 1 57 GLN H . . 5.160 4.964 4.703 5.121 . 0 0 "[ . 1 . 2]" 2
324 1 37 PHE HZ 1 54 THR HA . . 4.720 4.156 3.968 4.563 . 0 0 "[ . 1 . 2]" 2
325 1 54 THR HA 1 57 GLN HE22 . . 4.460 3.350 2.481 4.228 . 0 0 "[ . 1 . 2]" 2
326 1 54 THR HA 1 55 ALA HA . . 5.060 4.865 4.853 4.879 . 0 0 "[ . 1 . 2]" 2
327 1 54 THR HA 1 54 THR HB . . 2.940 2.860 2.824 2.885 . 0 0 "[ . 1 . 2]" 2
328 1 54 THR HA 1 54 THR MG . . 3.010 2.922 2.877 2.975 . 0 0 "[ . 1 . 2]" 2
329 1 45 LEU MD2 1 54 THR HA . . 4.720 3.854 3.723 4.064 . 0 0 "[ . 1 . 2]" 2
330 1 54 THR HA 1 55 ALA MB . . 5.020 4.993 4.981 4.999 . 0 0 "[ . 1 . 2]" 2
331 1 37 PHE QE 1 54 THR HA . . 4.860 4.845 4.747 4.872 0.012 15 0 "[ . 1 . 2]" 2
332 1 48 SER HB3 1 50 SER H . . 4.790 3.314 2.645 3.844 . 0 0 "[ . 1 . 2]" 2
333 1 47 SER H 1 48 SER HB3 . . 4.990 4.864 4.652 4.990 . 17 0 "[ . 1 . 2]" 2
334 1 48 SER HB3 1 51 PRO HA . . 3.720 3.056 2.887 3.181 . 0 0 "[ . 1 . 2]" 2
335 1 48 SER HB3 1 51 PRO HD3 . . 4.570 3.636 3.068 3.786 . 0 0 "[ . 1 . 2]" 2
336 1 48 SER HB3 1 51 PRO HB3 . . 4.030 3.458 3.082 3.833 . 0 0 "[ . 1 . 2]" 2
337 1 45 LEU MD2 1 48 SER HB3 . . 4.830 4.315 4.127 4.745 . 0 0 "[ . 1 . 2]" 2
338 1 44 ALA MB 1 47 SER HB3 . . 5.280 4.668 4.193 5.041 . 0 0 "[ . 1 . 2]" 2
339 1 47 SER HB3 1 48 SER H . . 4.640 4.001 3.236 4.165 . 0 0 "[ . 1 . 2]" 2
340 1 32 GLU H 1 32 GLU HG3 . . 4.740 4.473 4.125 4.718 . 0 0 "[ . 1 . 2]" 2
341 1 23 LEU HA 1 24 VAL HA . . 4.610 4.396 4.390 4.411 . 0 0 "[ . 1 . 2]" 2
342 1 46 LEU H 1 51 PRO HA . . 5.500 5.415 5.240 5.505 0.005 14 0 "[ . 1 . 2]" 2
343 1 51 PRO HA 1 60 ILE HB . . 4.760 4.533 4.464 4.636 . 0 0 "[ . 1 . 2]" 2
344 1 45 LEU HB3 1 51 PRO HA . . 4.380 3.281 3.066 3.443 . 0 0 "[ . 1 . 2]" 2
345 1 51 PRO HA 1 60 ILE MD . . 4.590 3.187 3.092 3.292 . 0 0 "[ . 1 . 2]" 2
346 1 51 PRO HA 1 52 LYS H . . 2.630 2.153 2.150 2.182 . 0 0 "[ . 1 . 2]" 2
347 1 51 PRO HA 1 60 ILE HG13 . . 4.180 3.920 3.757 4.110 . 0 0 "[ . 1 . 2]" 2
348 1 18 CYS H 1 24 VAL HA . . 4.140 3.861 3.739 3.938 . 0 0 "[ . 1 . 2]" 2
349 1 24 VAL HA 1 25 LEU H . . 2.920 2.145 2.141 2.160 . 0 0 "[ . 1 . 2]" 2
350 1 24 VAL HA 1 25 LEU HG . . 3.810 3.389 3.328 3.447 . 0 0 "[ . 1 . 2]" 2
351 1 24 VAL HA 1 25 LEU HB3 . . 5.500 5.436 5.351 5.512 0.012 13 0 "[ . 1 . 2]" 2
352 1 28 PRO HA 1 29 LYS H . . 3.090 2.724 2.721 2.726 . 0 0 "[ . 1 . 2]" 2
353 1 25 LEU HB3 1 28 PRO HA . . 4.550 4.501 4.275 4.552 0.002 15 0 "[ . 1 . 2]" 2
354 1 25 LEU MD2 1 28 PRO HA . . 4.550 4.525 4.453 4.561 0.011 16 0 "[ . 1 . 2]" 2
355 1 25 LEU MD1 1 28 PRO HA . . 3.770 2.117 1.943 2.440 . 0 0 "[ . 1 . 2]" 2
356 1 52 LYS H 1 52 LYS HB3 . . 3.910 3.771 3.746 3.820 . 0 0 "[ . 1 . 2]" 2
357 1 52 LYS HB3 1 58 GLU HA . . 4.660 3.226 3.140 3.380 . 0 0 "[ . 1 . 2]" 2
358 1 65 VAL HA 1 66 PHE H . . 2.820 2.230 2.153 2.330 . 0 0 "[ . 1 . 2]" 2
359 1 65 VAL HA 1 66 PHE QD . . 4.310 3.725 2.697 4.310 0.000 16 0 "[ . 1 . 2]" 2
360 1 29 LYS HA 1 65 VAL HA . . 5.030 4.877 4.656 5.034 0.004 19 0 "[ . 1 . 2]" 2
361 1 65 VAL HA 1 66 PHE HA . . 5.280 4.414 4.335 4.495 . 0 0 "[ . 1 . 2]" 2
362 1 31 THR MG 1 65 VAL HA . . 5.110 4.811 4.531 5.039 . 0 0 "[ . 1 . 2]" 2
363 1 12 VAL HA 1 12 VAL MG1 . . 3.390 2.865 2.246 3.193 . 0 0 "[ . 1 . 2]" 2
364 1 12 VAL HA 1 12 VAL MG2 . . 3.390 2.328 2.035 2.485 . 0 0 "[ . 1 . 2]" 2
365 1 19 GLU HG3 1 37 PHE QE . . 4.870 4.039 3.838 4.272 . 0 0 "[ . 1 . 2]" 2
366 1 9 VAL HA 1 9 VAL MG1 . . 3.420 3.178 3.067 3.204 . 0 0 "[ . 1 . 2]" 2
367 1 11 THR HA 1 12 VAL HB . . 4.680 4.495 4.073 4.678 . 0 0 "[ . 1 . 2]" 2
368 1 17 LYS HB3 1 18 CYS H . . 4.380 4.213 4.205 4.262 . 0 0 "[ . 1 . 2]" 2
369 1 16 TYR HA 1 17 LYS HB3 . . 4.780 4.124 4.059 4.144 . 0 0 "[ . 1 . 2]" 2
370 1 17 LYS HB3 1 22 HIS HA . . 4.600 4.454 4.445 4.461 . 0 0 "[ . 1 . 2]" 2
371 1 17 LYS HB3 1 24 VAL MG2 . . 5.010 3.909 3.695 4.035 . 0 0 "[ . 1 . 2]" 2
372 1 17 LYS HB3 1 24 VAL HA . . 4.720 4.043 3.892 4.107 . 0 0 "[ . 1 . 2]" 2
373 1 60 ILE HA 1 61 VAL H . . 2.840 2.154 2.140 2.187 . 0 0 "[ . 1 . 2]" 2
374 1 59 SER HA 1 60 ILE HA . . 4.540 4.399 4.391 4.417 . 0 0 "[ . 1 . 2]" 2
375 1 60 ILE HA 1 61 VAL HB . . 4.860 4.590 4.478 4.716 . 0 0 "[ . 1 . 2]" 2
376 1 31 THR MG 1 60 ILE HA . . 3.770 3.185 2.819 3.494 . 0 0 "[ . 1 . 2]" 2
377 1 60 ILE HA 1 60 ILE MD . . 4.040 4.007 3.992 4.026 . 0 0 "[ . 1 . 2]" 2
378 1 30 GLN HG3 1 34 GLY HA2 . . 4.760 4.011 3.645 4.241 . 0 0 "[ . 1 . 2]" 2
379 1 30 GLN HA 1 30 GLN HG3 . . 4.140 2.345 2.210 2.492 . 0 0 "[ . 1 . 2]" 2
380 1 30 GLN HG3 1 31 THR MG . . 5.430 5.284 4.958 5.425 . 0 0 "[ . 1 . 2]" 2
381 1 53 CYS HA 1 57 GLN H . . 4.740 4.255 4.232 4.304 . 0 0 "[ . 1 . 2]" 2
382 1 37 PHE HZ 1 53 CYS HA . . 3.800 3.761 3.210 3.805 0.005 7 0 "[ . 1 . 2]" 2
383 1 53 CYS HA 1 54 THR H . . 3.310 2.203 2.192 2.233 . 0 0 "[ . 1 . 2]" 2
384 1 53 CYS HA 1 55 ALA H . . 4.570 3.681 3.533 3.809 . 0 0 "[ . 1 . 2]" 2
385 1 37 PHE QE 1 53 CYS HA . . 4.290 3.367 3.070 3.549 . 0 0 "[ . 1 . 2]" 2
386 1 15 LYS HB3 1 16 TYR H . . 3.900 3.019 2.170 3.584 . 0 0 "[ . 1 . 2]" 2
387 1 15 LYS HB3 1 24 VAL MG1 . . 3.800 3.508 2.636 3.745 . 0 0 "[ . 1 . 2]" 2
388 1 49 SER HA 1 51 PRO HD3 . . 4.490 3.861 3.551 4.297 . 0 0 "[ . 1 . 2]" 2
389 1 39 GLU HA 1 43 ALA H . . 4.360 4.005 3.896 4.141 . 0 0 "[ . 1 . 2]" 2
390 1 39 GLU HA 1 42 MET ME . . 5.380 5.231 4.888 5.386 0.006 17 0 "[ . 1 . 2]" 2
391 1 29 LYS HG3 1 39 GLU HA . . 3.920 3.712 3.340 3.895 . 0 0 "[ . 1 . 2]" 2
392 1 59 SER HA 1 60 ILE MG . . 5.390 5.304 5.229 5.356 . 0 0 "[ . 1 . 2]" 2
393 1 52 LYS HB3 1 59 SER HA . . 4.210 4.006 3.947 4.070 . 0 0 "[ . 1 . 2]" 2
394 1 59 SER HA 1 60 ILE HG13 . . 3.890 3.263 3.168 3.390 . 0 0 "[ . 1 . 2]" 2
395 1 20 LYS HB3 1 37 PHE QE . . 4.440 3.892 3.805 4.388 . 0 0 "[ . 1 . 2]" 2
396 1 20 LYS HB3 1 37 PHE QD . . 4.080 3.642 3.586 3.811 . 0 0 "[ . 1 . 2]" 2
397 1 20 LYS HB3 1 41 CYS HA . . 5.420 5.051 4.960 5.086 . 0 0 "[ . 1 . 2]" 2
398 1 20 LYS HB3 1 20 LYS HD3 . . 3.890 2.747 2.692 2.821 . 0 0 "[ . 1 . 2]" 2
399 1 61 VAL MG1 1 64 LYS HB3 . . 5.060 4.571 4.419 4.775 . 0 0 "[ . 1 . 2]" 2
400 1 61 VAL MG2 1 64 LYS HB3 . . 5.500 5.002 4.489 5.467 . 0 0 "[ . 1 . 2]" 2
401 1 32 GLU HG3 1 64 LYS HB3 . . 4.890 3.166 2.084 4.231 . 0 0 "[ . 1 . 2]" 2
402 1 29 LYS H 1 29 LYS HB3 . . 3.950 3.797 3.735 3.857 . 0 0 "[ . 1 . 2]" 2
403 1 32 GLU HA 1 32 GLU HG3 . . 3.600 3.165 2.442 3.579 . 0 0 "[ . 1 . 2]" 2
404 1 19 GLU HG3 1 35 HIS HB3 . . 3.700 2.046 1.998 2.295 . 0 0 "[ . 1 . 2]" 2
405 1 31 THR MG 1 35 HIS HB3 . . 4.570 4.436 4.228 4.571 0.001 7 0 "[ . 1 . 2]" 2
406 1 35 HIS H 1 35 HIS HB3 . . 3.900 3.594 3.585 3.611 . 0 0 "[ . 1 . 2]" 2
407 1 35 HIS HB3 1 37 PHE QE . . 4.010 3.108 2.823 3.354 . 0 0 "[ . 1 . 2]" 2
408 1 12 VAL HB 1 13 GLU H . . 4.520 4.387 4.180 4.533 0.013 5 0 "[ . 1 . 2]" 2
409 1 61 VAL HB 1 62 LYS H . . 4.640 4.260 4.113 4.407 . 0 0 "[ . 1 . 2]" 2
410 1 62 LYS H 1 65 VAL HB . . 5.220 4.139 3.857 4.811 . 0 0 "[ . 1 . 2]" 2
411 1 61 VAL HB 1 64 LYS H . . 4.330 2.672 2.324 2.977 . 0 0 "[ . 1 . 2]" 2
412 1 18 CYS HA 1 19 GLU H . . 2.910 2.205 2.200 2.215 . 0 0 "[ . 1 . 2]" 2
413 1 18 CYS HA 1 25 LEU MD2 . . 4.260 4.054 3.947 4.174 . 0 0 "[ . 1 . 2]" 2
414 1 46 LEU MD2 1 61 VAL HB . . 5.110 4.642 4.267 4.924 . 0 0 "[ . 1 . 2]" 2
415 1 46 LEU MD2 1 65 VAL HB . . 5.500 4.457 4.094 4.910 . 0 0 "[ . 1 . 2]" 2
416 1 61 VAL HB 1 64 LYS HA . . 5.020 4.725 4.380 5.020 . 19 0 "[ . 1 . 2]" 2
417 1 29 LYS H 1 36 ARG HB3 . . 4.280 3.430 3.216 3.764 . 0 0 "[ . 1 . 2]" 2
418 1 25 LEU MD1 1 36 ARG HB3 . . 4.200 3.454 3.323 3.682 . 0 0 "[ . 1 . 2]" 2
419 1 18 CYS HA 1 25 LEU HG . . 4.920 4.536 4.213 4.666 . 0 0 "[ . 1 . 2]" 2
420 1 18 CYS HA 1 37 PHE H . . 4.580 4.005 3.882 4.187 . 0 0 "[ . 1 . 2]" 2
421 1 18 CYS HA 1 36 ARG HB3 . . 4.370 4.054 3.863 4.207 . 0 0 "[ . 1 . 2]" 2
422 1 18 CYS HA 1 25 LEU MD1 . . 3.910 3.148 2.763 3.347 . 0 0 "[ . 1 . 2]" 2
423 1 46 LEU HB3 1 47 SER HA . . 4.920 4.537 4.410 4.617 . 0 0 "[ . 1 . 2]" 2
424 1 21 CYS HB3 1 23 LEU HG . . 5.300 4.603 4.393 4.697 . 0 0 "[ . 1 . 2]" 2
425 1 21 CYS HB3 1 23 LEU H . . 4.690 4.656 4.544 4.692 0.002 7 0 "[ . 1 . 2]" 2
426 1 20 LYS HB3 1 21 CYS HB3 . . 4.540 3.634 3.618 3.643 . 0 0 "[ . 1 . 2]" 2
427 1 30 GLN HB3 1 34 GLY H . . 5.500 5.369 4.338 5.500 0.000 18 0 "[ . 1 . 2]" 2
428 1 62 LYS HA 1 65 VAL HB . . 4.730 2.085 1.998 2.357 . 0 0 "[ . 1 . 2]" 2
429 1 45 LEU HA 1 47 SER H . . 4.590 4.034 3.816 4.309 . 0 0 "[ . 1 . 2]" 2
430 1 45 LEU HA 1 48 SER H . . 4.730 4.028 3.682 4.221 . 0 0 "[ . 1 . 2]" 2
431 1 45 LEU HA 1 45 LEU HG . . 3.410 3.125 3.058 3.234 . 0 0 "[ . 1 . 2]" 2
432 1 19 GLU HA 1 22 HIS H . . 4.530 4.218 4.178 4.309 . 0 0 "[ . 1 . 2]" 2
433 1 19 GLU HA 1 19 GLU HG3 . . 3.730 3.568 3.551 3.619 . 0 0 "[ . 1 . 2]" 2
434 1 19 GLU HA 1 55 ALA MB . . 4.700 4.663 4.489 4.702 0.002 12 0 "[ . 1 . 2]" 2
435 1 23 LEU MD2 1 38 CYS HB3 . . 4.950 4.822 4.670 4.952 0.002 16 0 "[ . 1 . 2]" 2
436 1 51 PRO HB3 1 60 ILE H . . 4.580 4.543 4.390 4.586 0.006 20 0 "[ . 1 . 2]" 2
437 1 51 PRO HB3 1 52 LYS H . . 4.230 4.057 3.860 4.097 . 0 0 "[ . 1 . 2]" 2
438 1 51 PRO HB3 1 60 ILE HB . . 3.690 3.367 3.322 3.429 . 0 0 "[ . 1 . 2]" 2
439 1 51 PRO HB3 1 60 ILE HG13 . . 4.230 4.166 4.030 4.234 0.004 18 0 "[ . 1 . 2]" 2
440 1 51 PRO HB3 1 60 ILE MD . . 3.970 3.209 3.075 3.277 . 0 0 "[ . 1 . 2]" 2
441 1 53 CYS H 1 57 GLN HA . . 4.210 2.278 2.199 2.445 . 0 0 "[ . 1 . 2]" 2
442 1 57 GLN HA 1 58 GLU H . . 3.160 2.230 2.173 2.272 . 0 0 "[ . 1 . 2]" 2
443 1 57 GLN HA 1 57 GLN HG3 . . 4.010 3.590 2.082 3.886 . 0 0 "[ . 1 . 2]" 2
444 1 52 LYS HD3 1 57 GLN HA . . 4.440 4.391 3.989 4.462 0.022 20 0 "[ . 1 . 2]" 2
445 1 52 LYS HB3 1 57 GLN HA . . 3.710 2.619 2.498 2.737 . 0 0 "[ . 1 . 2]" 2
446 1 44 ALA MB 1 45 LEU HA . . 3.930 3.673 3.585 3.772 . 0 0 "[ . 1 . 2]" 2
447 1 18 CYS HA 1 19 GLU HA . . 4.520 4.348 4.346 4.350 . 0 0 "[ . 1 . 2]" 2
448 1 19 GLU HA 1 22 HIS HD2 . . 4.450 4.455 4.453 4.458 0.008 19 0 "[ . 1 . 2]" 2
449 1 38 CYS HB3 1 39 GLU H . . 4.040 3.828 3.694 3.959 . 0 0 "[ . 1 . 2]" 2
450 1 18 CYS H 1 38 CYS HB3 . . 4.790 4.139 4.104 4.248 . 0 0 "[ . 1 . 2]" 2
451 1 38 CYS HB3 1 40 SER H . . 5.070 4.990 4.645 5.073 0.003 19 0 "[ . 1 . 2]" 2
452 1 25 LEU HG 1 38 CYS HB3 . . 4.790 4.604 4.508 4.734 . 0 0 "[ . 1 . 2]" 2
453 1 23 LEU HB3 1 38 CYS HB3 . . 4.710 3.450 3.342 3.662 . 0 0 "[ . 1 . 2]" 2
454 1 24 VAL HB 1 25 LEU H . . 4.500 4.402 4.308 4.478 . 0 0 "[ . 1 . 2]" 2
455 1 23 LEU HA 1 24 VAL HB . . 5.180 4.494 4.396 4.621 . 0 0 "[ . 1 . 2]" 2
456 1 18 CYS HB3 1 38 CYS H . . 4.090 3.877 3.811 3.952 . 0 0 "[ . 1 . 2]" 2
457 1 18 CYS H 1 18 CYS HB3 . . 3.130 2.392 2.354 2.413 . 0 0 "[ . 1 . 2]" 2
458 1 18 CYS HB3 1 23 LEU H . . 3.310 1.955 1.900 2.002 . 0 0 "[ . 1 . 2]" 2
459 1 18 CYS HB3 1 37 PHE HA . . 4.690 4.089 4.011 4.266 . 0 0 "[ . 1 . 2]" 2
460 1 18 CYS HB3 1 22 HIS HA . . 3.980 3.668 3.609 3.694 . 0 0 "[ . 1 . 2]" 2
461 1 18 CYS HB3 1 38 CYS HB3 . . 3.850 3.209 3.149 3.274 . 0 0 "[ . 1 . 2]" 2
462 1 18 CYS HB3 1 23 LEU HB3 . . 4.230 3.887 3.840 3.936 . 0 0 "[ . 1 . 2]" 2
463 1 18 CYS HB3 1 23 LEU HG . . 4.930 4.682 4.384 4.802 . 0 0 "[ . 1 . 2]" 2
464 1 18 CYS HB3 1 25 LEU HG . . 5.500 4.934 4.604 5.105 . 0 0 "[ . 1 . 2]" 2
465 1 18 CYS HB3 1 25 LEU MD2 . . 3.740 3.385 3.302 3.465 . 0 0 "[ . 1 . 2]" 2
466 1 18 CYS HB3 1 20 LYS H . . 4.480 3.219 3.182 3.276 . 0 0 "[ . 1 . 2]" 2
467 1 53 CYS HB3 1 60 ILE MD . . 4.380 4.118 4.011 4.223 . 0 0 "[ . 1 . 2]" 2
468 1 53 CYS HB3 1 58 GLU HB3 . . 4.980 4.092 3.047 4.781 . 0 0 "[ . 1 . 2]" 2
469 1 53 CYS HB3 1 57 GLN H . . 3.620 2.243 2.169 2.450 . 0 0 "[ . 1 . 2]" 2
470 1 53 CYS HB3 1 57 GLN HA . . 4.120 2.437 2.202 2.756 . 0 0 "[ . 1 . 2]" 2
471 1 53 CYS HB3 1 60 ILE MG . . 5.500 5.509 5.503 5.514 0.014 12 0 "[ . 1 . 2]" 2
472 1 21 CYS H 1 22 HIS HA . . 4.770 4.501 4.460 4.604 . 0 0 "[ . 1 . 2]" 2
473 1 58 GLU HA 1 59 SER HA . . 4.850 4.773 4.725 4.817 . 0 0 "[ . 1 . 2]" 2
474 1 42 MET HA 1 46 LEU MD1 . . 4.690 4.201 3.978 4.490 . 0 0 "[ . 1 . 2]" 2
475 1 42 MET HA 1 45 LEU H . . 3.890 3.709 3.603 3.885 . 0 0 "[ . 1 . 2]" 2
476 1 37 PHE HB3 1 42 MET HA . . 4.320 3.450 3.325 3.609 . 0 0 "[ . 1 . 2]" 2
477 1 42 MET HA 1 42 MET HG3 . . 3.720 3.023 2.862 3.301 . 0 0 "[ . 1 . 2]" 2
478 1 42 MET HA 1 45 LEU HG . . 3.920 3.719 3.429 3.921 0.001 19 0 "[ . 1 . 2]" 2
479 1 42 MET HA 1 44 ALA MB . . 4.840 4.761 4.670 4.834 . 0 0 "[ . 1 . 2]" 2
480 1 31 THR MG 1 42 MET HA . . 5.290 5.236 5.119 5.292 0.002 12 0 "[ . 1 . 2]" 2
481 1 42 MET HA 1 45 LEU MD2 . . 5.500 5.059 4.862 5.207 . 0 0 "[ . 1 . 2]" 2
482 1 42 MET HA 1 46 LEU MD2 . . 5.500 4.815 4.615 4.998 . 0 0 "[ . 1 . 2]" 2
483 1 42 MET HA 1 44 ALA H . . 4.760 4.051 3.822 4.251 . 0 0 "[ . 1 . 2]" 2
484 1 46 LEU HA 1 51 PRO HA . . 4.910 4.416 4.246 4.635 . 0 0 "[ . 1 . 2]" 2
485 1 46 LEU HA 1 61 VAL MG2 . . 5.410 5.208 4.919 5.413 0.003 6 0 "[ . 1 . 2]" 2
486 1 46 LEU HA 1 51 PRO HB3 . . 3.340 2.137 1.999 2.358 . 0 0 "[ . 1 . 2]" 2
487 1 46 LEU HA 1 46 LEU MD1 . . 4.100 3.911 3.861 3.941 . 0 0 "[ . 1 . 2]" 2
488 1 33 CYS HB3 1 58 GLU HA . . 4.980 4.842 4.715 4.982 0.002 14 0 "[ . 1 . 2]" 2
489 1 11 THR MG 1 13 GLU HA . . 5.500 4.837 2.996 5.476 . 0 0 "[ . 1 . 2]" 2
490 1 45 LEU HB3 1 46 LEU HA . . 4.800 4.391 4.223 4.471 . 0 0 "[ . 1 . 2]" 2
491 1 37 PHE HA 1 41 CYS HB3 . . 5.270 5.211 5.157 5.270 0.000 20 0 "[ . 1 . 2]" 2
492 1 41 CYS H 1 41 CYS HB3 . . 3.800 3.623 3.619 3.627 . 0 0 "[ . 1 . 2]" 2
493 1 21 CYS H 1 41 CYS HB3 . . 5.190 5.021 4.871 5.084 . 0 0 "[ . 1 . 2]" 2
494 1 41 CYS HB3 1 44 ALA MB . . 4.260 4.049 3.951 4.103 . 0 0 "[ . 1 . 2]" 2
495 1 38 CYS H 1 41 CYS HB3 . . 4.160 4.137 4.073 4.168 0.008 19 0 "[ . 1 . 2]" 2
496 1 41 CYS HB3 1 44 ALA H . . 5.460 5.090 4.965 5.247 . 0 0 "[ . 1 . 2]" 2
497 1 20 LYS HA 1 41 CYS HB3 . . 5.500 5.514 5.503 5.535 0.035 10 0 "[ . 1 . 2]" 2
498 1 33 CYS HA 1 33 CYS HB3 . . 2.960 2.538 2.509 2.542 . 0 0 "[ . 1 . 2]" 2
499 1 33 CYS HB3 1 58 GLU HB3 . . 3.830 2.412 1.998 2.838 . 0 0 "[ . 1 . 2]" 2
500 1 39 GLU H 1 39 GLU HB3 . . 3.670 3.531 3.466 3.579 . 0 0 "[ . 1 . 2]" 2
501 1 39 GLU HB3 1 43 ALA MB . . 4.570 4.397 4.327 4.480 . 0 0 "[ . 1 . 2]" 2
502 1 17 LYS H 1 17 LYS HD3 . . 5.500 5.281 5.244 5.316 . 0 0 "[ . 1 . 2]" 2
503 1 17 LYS HD3 1 22 HIS HA . . 4.420 1.998 1.990 2.000 . 0 0 "[ . 1 . 2]" 2
504 1 17 LYS HD3 1 22 HIS HB3 . . 4.440 3.065 3.034 3.103 . 0 0 "[ . 1 . 2]" 2
505 1 19 GLU HB3 1 35 HIS HB3 . . 4.830 3.641 3.443 3.897 . 0 0 "[ . 1 . 2]" 2
506 1 15 LYS HA 1 26 CYS HA . . 3.940 3.732 3.475 3.891 . 0 0 "[ . 1 . 2]" 2
507 1 20 LYS HD3 1 37 PHE QD . . 5.500 3.568 3.514 3.748 . 0 0 "[ . 1 . 2]" 2
508 1 20 LYS HD3 1 45 LEU MD1 . . 4.410 3.938 3.751 4.160 . 0 0 "[ . 1 . 2]" 2
509 1 20 LYS HA 1 20 LYS HD3 . . 4.680 4.551 4.528 4.566 . 0 0 "[ . 1 . 2]" 2
510 1 20 LYS HD3 1 41 CYS HB3 . . 3.660 1.998 1.994 2.000 . 0 0 "[ . 1 . 2]" 2
511 1 20 LYS HD3 1 45 LEU MD2 . . 3.870 3.841 3.698 3.874 0.004 19 0 "[ . 1 . 2]" 2
512 1 52 LYS H 1 52 LYS HD3 . . 4.940 4.782 4.059 4.944 0.004 20 0 "[ . 1 . 2]" 2
513 1 19 GLU HB3 1 55 ALA H . . 5.270 3.530 3.397 3.667 . 0 0 "[ . 1 . 2]" 2
514 1 19 GLU HB3 1 54 THR HB . . 4.790 4.694 4.437 4.792 0.002 19 0 "[ . 1 . 2]" 2
515 1 19 GLU H 1 19 GLU HB3 . . 3.570 3.483 3.423 3.537 . 0 0 "[ . 1 . 2]" 2
516 1 19 GLU HB3 1 37 PHE QE . . 4.090 3.355 3.190 3.457 . 0 0 "[ . 1 . 2]" 2
517 1 19 GLU HB3 1 37 PHE HZ . . 4.450 2.921 2.827 3.107 . 0 0 "[ . 1 . 2]" 2
518 1 23 LEU HA 1 24 VAL H . . 3.110 2.140 2.138 2.145 . 0 0 "[ . 1 . 2]" 2
519 1 61 VAL MG1 1 64 LYS HA . . 4.460 4.376 4.232 4.463 0.003 6 0 "[ . 1 . 2]" 2
520 1 64 LYS HA 1 64 LYS HD3 . . 4.110 2.735 2.161 3.613 . 0 0 "[ . 1 . 2]" 2
521 1 61 VAL HB 1 64 LYS HD3 . . 4.930 4.645 4.317 4.930 . 0 0 "[ . 1 . 2]" 2
522 1 61 VAL MG1 1 64 LYS HD3 . . 5.180 4.122 3.170 4.841 . 0 0 "[ . 1 . 2]" 2
523 1 42 MET HB3 1 43 ALA HA . . 4.580 4.405 4.382 4.454 . 0 0 "[ . 1 . 2]" 2
524 1 36 ARG HG3 1 37 PHE H . . 4.860 4.520 4.323 4.713 . 0 0 "[ . 1 . 2]" 2
525 1 42 MET H 1 43 ALA HA . . 5.500 5.472 5.407 5.501 0.001 9 0 "[ . 1 . 2]" 2
526 1 43 ALA HA 1 46 LEU H . . 4.160 3.871 3.635 4.125 . 0 0 "[ . 1 . 2]" 2
527 1 43 ALA HA 1 47 SER H . . 4.630 4.408 4.156 4.631 0.001 9 0 "[ . 1 . 2]" 2
528 1 42 MET HG3 1 43 ALA HA . . 4.360 3.314 3.149 3.463 . 0 0 "[ . 1 . 2]" 2
529 1 43 ALA HA 1 46 LEU MD2 . . 5.010 4.794 4.520 5.005 . 0 0 "[ . 1 . 2]" 2
530 1 29 LYS HA 1 29 LYS HD3 . . 3.880 2.675 2.003 3.672 . 0 0 "[ . 1 . 2]" 2
531 1 30 GLN HG3 1 36 ARG HG3 . . 4.540 2.147 1.999 2.624 . 0 0 "[ . 1 . 2]" 2
532 1 28 PRO HG3 1 36 ARG HG3 . . 5.220 4.326 3.964 4.582 . 0 0 "[ . 1 . 2]" 2
533 1 43 ALA H 1 44 ALA HA . . 5.370 5.236 5.171 5.299 . 0 0 "[ . 1 . 2]" 2
534 1 44 ALA HA 1 47 SER H . . 3.950 3.646 3.603 3.692 . 0 0 "[ . 1 . 2]" 2
535 1 50 SER H 1 51 PRO HG3 . . 5.500 4.997 4.250 5.501 0.001 18 0 "[ . 1 . 2]" 2
536 1 51 PRO HG3 1 60 ILE MD . . 4.840 4.706 4.511 4.801 . 0 0 "[ . 1 . 2]" 2
537 1 54 THR MG 1 55 ALA HA . . 4.470 2.767 2.711 2.837 . 0 0 "[ . 1 . 2]" 2
538 1 46 LEU HA 1 51 PRO HG3 . . 3.540 2.006 1.996 2.081 . 0 0 "[ . 1 . 2]" 2
539 1 46 LEU HB3 1 51 PRO HG3 . . 4.280 3.706 3.620 3.858 . 0 0 "[ . 1 . 2]" 2
540 1 51 PRO HG3 1 61 VAL MG2 . . 4.410 4.065 3.975 4.167 . 0 0 "[ . 1 . 2]" 2
541 1 50 SER HA 1 51 PRO HG3 . . 4.760 4.719 4.607 4.766 0.006 6 0 "[ . 1 . 2]" 2
542 1 51 PRO HG3 1 60 ILE HG13 . . 5.410 5.120 5.006 5.219 . 0 0 "[ . 1 . 2]" 2
543 1 53 CYS HA 1 60 ILE HG13 . . 4.500 3.829 3.718 3.967 . 0 0 "[ . 1 . 2]" 2
544 1 60 ILE HG13 1 60 ILE MG . . 3.570 3.182 3.179 3.193 . 0 0 "[ . 1 . 2]" 2
545 1 53 CYS HB3 1 60 ILE HG13 . . 4.830 4.710 4.553 4.832 0.002 9 0 "[ . 1 . 2]" 2
546 1 53 CYS H 1 60 ILE HG13 . . 4.260 3.961 3.865 4.090 . 0 0 "[ . 1 . 2]" 2
547 1 60 ILE HA 1 60 ILE HG13 . . 3.740 3.321 3.279 3.369 . 0 0 "[ . 1 . 2]" 2
548 1 22 HIS HB3 1 23 LEU H . . 4.830 4.650 4.630 4.655 . 0 0 "[ . 1 . 2]" 2
549 1 22 HIS H 1 22 HIS HB3 . . 4.030 3.741 3.717 3.794 . 0 0 "[ . 1 . 2]" 2
550 1 17 LYS HB3 1 22 HIS HB3 . . 5.500 5.331 5.246 5.356 . 0 0 "[ . 1 . 2]" 2
551 1 17 LYS HG3 1 22 HIS HB3 . . 4.940 2.990 2.861 3.023 . 0 0 "[ . 1 . 2]" 2
552 1 28 PRO HG3 1 29 LYS H . . 4.660 4.507 4.504 4.512 . 0 0 "[ . 1 . 2]" 2
553 1 28 PRO HG3 1 36 ARG HB3 . . 4.120 2.809 2.121 3.248 . 0 0 "[ . 1 . 2]" 2
554 1 16 TYR H 1 28 PRO HG3 . . 5.500 5.023 4.606 5.503 0.003 16 0 "[ . 1 . 2]" 2
555 1 21 CYS H 1 23 LEU HG . . 5.500 5.426 5.189 5.504 0.004 10 0 "[ . 1 . 2]" 2
556 1 23 LEU HA 1 23 LEU HG . . 3.710 2.791 2.424 3.622 . 0 0 "[ . 1 . 2]" 2
557 1 23 LEU HG 1 25 LEU MD2 . . 4.600 4.342 3.819 4.602 0.002 13 0 "[ . 1 . 2]" 2
558 1 25 LEU MD1 1 28 PRO HG3 . . 4.160 3.380 3.062 3.545 . 0 0 "[ . 1 . 2]" 2
559 1 23 LEU H 1 23 LEU HG . . 3.800 3.485 3.333 3.787 . 0 0 "[ . 1 . 2]" 2
560 1 44 ALA MB 1 45 LEU HG . . 3.680 3.228 3.091 3.376 . 0 0 "[ . 1 . 2]" 2
561 1 25 LEU HA 1 25 LEU HG . . 4.210 3.482 3.423 3.508 . 0 0 "[ . 1 . 2]" 2
562 1 18 CYS H 1 25 LEU HG . . 4.460 3.085 2.678 3.265 . 0 0 "[ . 1 . 2]" 2
563 1 18 CYS H 1 25 LEU MD1 . . 4.050 3.310 2.932 3.487 . 0 0 "[ . 1 . 2]" 2
564 1 25 LEU MD1 1 29 LYS H . . 4.430 3.729 3.588 3.993 . 0 0 "[ . 1 . 2]" 2
565 1 25 LEU H 1 25 LEU MD1 . . 3.810 3.537 3.502 3.584 . 0 0 "[ . 1 . 2]" 2
566 1 24 VAL HA 1 25 LEU MD1 . . 5.120 4.830 4.763 4.877 . 0 0 "[ . 1 . 2]" 2
567 1 25 LEU MD1 1 38 CYS HB3 . . 3.600 2.939 2.659 3.223 . 0 0 "[ . 1 . 2]" 2
568 1 23 LEU HB3 1 25 LEU MD1 . . 4.430 4.342 4.120 4.429 . 0 0 "[ . 1 . 2]" 2
569 1 25 LEU HB3 1 25 LEU MD1 . . 3.000 2.654 2.548 2.714 . 0 0 "[ . 1 . 2]" 2
570 1 25 LEU MD1 1 38 CYS H . . 4.490 3.760 3.357 3.929 . 0 0 "[ . 1 . 2]" 2
571 1 17 LYS H 1 25 LEU MD1 . . 4.440 4.099 3.800 4.253 . 0 0 "[ . 1 . 2]" 2
572 1 25 LEU HA 1 25 LEU MD1 . . 4.340 4.107 4.088 4.118 . 0 0 "[ . 1 . 2]" 2
573 1 42 MET HA 1 46 LEU HG . . 4.870 3.880 3.759 4.056 . 0 0 "[ . 1 . 2]" 2
574 1 46 LEU HA 1 46 LEU HG . . 3.540 3.064 2.985 3.169 . 0 0 "[ . 1 . 2]" 2
575 1 42 MET HG3 1 46 LEU HG . . 3.990 3.117 2.840 3.492 . 0 0 "[ . 1 . 2]" 2
576 1 46 LEU HG 1 60 ILE MD . . 4.880 3.992 3.803 4.208 . 0 0 "[ . 1 . 2]" 2
577 1 41 CYS HB3 1 45 LEU HG . . 4.880 3.668 3.594 3.788 . 0 0 "[ . 1 . 2]" 2
578 1 45 LEU H 1 45 LEU HG . . 3.230 2.099 1.948 2.248 . 0 0 "[ . 1 . 2]" 2
579 1 57 GLN HB3 1 58 GLU H . . 4.870 4.023 3.839 4.243 . 0 0 "[ . 1 . 2]" 2
580 1 20 LYS HA 1 20 LYS HG3 . . 3.410 2.242 2.210 2.294 . 0 0 "[ . 1 . 2]" 2
581 1 20 LYS HG3 1 45 LEU MD2 . . 4.910 4.395 4.157 4.666 . 0 0 "[ . 1 . 2]" 2
582 1 20 LYS HG3 1 21 CYS H . . 4.840 4.738 4.700 4.766 . 0 0 "[ . 1 . 2]" 2
583 1 42 MET HB3 1 46 LEU MD1 . . 4.390 4.235 4.067 4.391 0.001 4 0 "[ . 1 . 2]" 2
584 1 43 ALA HA 1 46 LEU MD1 . . 3.420 2.291 1.981 2.670 . 0 0 "[ . 1 . 2]" 2
585 1 42 MET HG3 1 46 LEU MD1 . . 3.300 2.139 1.932 2.441 . 0 0 "[ . 1 . 2]" 2
586 1 46 LEU HB3 1 46 LEU MD1 . . 2.970 2.447 2.306 2.540 . 0 0 "[ . 1 . 2]" 2
587 1 10 LYS HA 1 10 LYS HG3 . . 4.120 2.757 2.041 3.815 . 0 0 "[ . 1 . 2]" 2
588 1 15 LYS HG3 1 16 TYR H . . 4.930 4.289 3.348 4.905 . 0 0 "[ . 1 . 2]" 2
589 1 17 LYS HG3 1 18 CYS H . . 4.380 3.759 3.743 3.856 . 0 0 "[ . 1 . 2]" 2
590 1 17 LYS HG3 1 23 LEU H . . 4.220 4.199 4.135 4.242 0.022 19 0 "[ . 1 . 2]" 2
591 1 17 LYS HG3 1 22 HIS HA . . 4.110 2.421 2.400 2.443 . 0 0 "[ . 1 . 2]" 2
592 1 17 LYS HG3 1 24 VAL HA . . 4.260 3.968 3.856 4.013 . 0 0 "[ . 1 . 2]" 2
593 1 23 LEU HA 1 23 LEU MD1 . . 3.730 3.426 2.640 3.771 0.041 16 0 "[ . 1 . 2]" 2
594 1 23 LEU MD1 1 38 CYS HB3 . . 4.950 3.502 3.012 4.397 . 0 0 "[ . 1 . 2]" 2
595 1 23 LEU HB3 1 23 LEU MD1 . . 3.150 2.449 2.148 2.572 . 0 0 "[ . 1 . 2]" 2
596 1 62 LYS HA 1 62 LYS HG3 . . 4.010 3.917 3.762 4.012 0.002 3 0 "[ . 1 . 2]" 2
597 1 62 LYS H 1 62 LYS HG3 . . 4.620 3.374 2.851 3.645 . 0 0 "[ . 1 . 2]" 2
598 1 46 LEU MD1 1 62 LYS HG3 . . 4.800 4.795 4.757 4.801 0.001 14 0 "[ . 1 . 2]" 2
599 1 52 LYS HG3 1 53 CYS H . . 4.850 3.845 3.642 4.211 . 0 0 "[ . 1 . 2]" 2
600 1 52 LYS H 1 52 LYS HG3 . . 4.340 2.412 2.200 2.899 . 0 0 "[ . 1 . 2]" 2
601 1 52 LYS HG3 1 59 SER HA . . 4.750 4.515 3.961 4.753 0.003 19 0 "[ . 1 . 2]" 2
602 1 52 LYS HG3 1 57 GLN HA . . 4.890 4.696 4.597 4.913 0.023 18 0 "[ . 1 . 2]" 2
603 1 61 VAL HB 1 64 LYS HG3 . . 3.990 2.442 2.021 2.969 . 0 0 "[ . 1 . 2]" 2
604 1 61 VAL MG1 1 64 LYS HG3 . . 4.010 3.172 2.632 3.773 . 0 0 "[ . 1 . 2]" 2
605 1 15 LYS H 1 15 LYS HG3 . . 4.390 3.022 2.395 3.881 . 0 0 "[ . 1 . 2]" 2
606 1 64 LYS HA 1 64 LYS HG3 . . 3.900 3.871 3.719 3.901 0.001 18 0 "[ . 1 . 2]" 2
607 1 18 CYS HB3 1 23 LEU MD1 . . 5.340 4.276 3.895 5.127 . 0 0 "[ . 1 . 2]" 2
608 1 29 LYS HG3 1 42 MET HG3 . . 4.480 3.921 3.676 4.166 . 0 0 "[ . 1 . 2]" 2
609 1 29 LYS HA 1 29 LYS HG3 . . 4.120 3.863 3.789 4.061 . 0 0 "[ . 1 . 2]" 2
610 1 42 MET H 1 45 LEU MD1 . . 5.020 4.684 4.477 4.841 . 0 0 "[ . 1 . 2]" 2
611 1 45 LEU H 1 45 LEU MD1 . . 3.840 3.532 3.484 3.613 . 0 0 "[ . 1 . 2]" 2
612 1 45 LEU MD1 1 52 LYS H . . 4.540 4.369 4.146 4.542 0.002 16 0 "[ . 1 . 2]" 2
613 1 37 PHE HZ 1 45 LEU MD1 . . 4.270 3.462 3.323 3.573 . 0 0 "[ . 1 . 2]" 2
614 1 37 PHE QE 1 45 LEU MD1 . . 3.820 2.977 2.858 3.118 . 0 0 "[ . 1 . 2]" 2
615 1 37 PHE QD 1 45 LEU MD1 . . 3.820 3.112 3.034 3.222 . 0 0 "[ . 1 . 2]" 2
616 1 45 LEU MD1 1 54 THR H . . 4.660 2.307 2.100 2.524 . 0 0 "[ . 1 . 2]" 2
617 1 42 MET HA 1 45 LEU MD1 . . 3.460 3.016 2.756 3.237 . 0 0 "[ . 1 . 2]" 2
618 1 45 LEU HA 1 45 LEU MD1 . . 4.090 3.901 3.865 3.925 . 0 0 "[ . 1 . 2]" 2
619 1 45 LEU MD1 1 53 CYS HA . . 4.020 2.654 2.551 2.905 . 0 0 "[ . 1 . 2]" 2
620 1 41 CYS HB3 1 45 LEU MD1 . . 4.300 3.470 3.198 3.624 . 0 0 "[ . 1 . 2]" 2
621 1 42 MET ME 1 45 LEU MD1 . . 3.480 2.769 2.524 3.131 . 0 0 "[ . 1 . 2]" 2
622 1 45 LEU MD1 1 60 ILE HB . . 5.340 4.152 3.918 4.492 . 0 0 "[ . 1 . 2]" 2
623 1 31 THR MG 1 45 LEU MD1 . . 4.540 3.921 3.820 4.045 . 0 0 "[ . 1 . 2]" 2
624 1 45 LEU MD1 1 60 ILE HG13 . . 5.250 4.175 4.093 4.378 . 0 0 "[ . 1 . 2]" 2
625 1 45 LEU HB3 1 45 LEU MD1 . . 3.220 2.452 2.398 2.479 . 0 0 "[ . 1 . 2]" 2
626 1 45 LEU MD1 1 60 ILE MD . . 3.170 1.802 1.700 2.005 . 0 0 "[ . 1 . 2]" 2
627 1 29 LYS HG3 1 39 GLU H . . 5.500 5.272 4.659 5.477 . 0 0 "[ . 1 . 2]" 2
628 1 29 LYS H 1 29 LYS HG3 . . 4.460 3.978 3.725 4.090 . 0 0 "[ . 1 . 2]" 2
629 1 29 LYS HG3 1 42 MET HB3 . . 4.370 3.507 3.192 3.629 . 0 0 "[ . 1 . 2]" 2
630 1 25 LEU MD2 1 39 GLU H . . 4.370 4.006 3.906 4.128 . 0 0 "[ . 1 . 2]" 2
631 1 25 LEU H 1 25 LEU MD2 . . 3.510 3.038 2.998 3.251 . 0 0 "[ . 1 . 2]" 2
632 1 23 LEU H 1 25 LEU MD2 . . 4.810 3.885 3.805 3.998 . 0 0 "[ . 1 . 2]" 2
633 1 24 VAL H 1 25 LEU MD2 . . 5.060 3.784 3.720 3.953 . 0 0 "[ . 1 . 2]" 2
634 1 25 LEU HA 1 25 LEU MD2 . . 3.180 2.998 2.790 3.095 . 0 0 "[ . 1 . 2]" 2
635 1 24 VAL HA 1 25 LEU MD2 . . 4.180 3.643 3.540 3.813 . 0 0 "[ . 1 . 2]" 2
636 1 25 LEU MD2 1 38 CYS HB3 . . 3.250 2.224 2.152 2.326 . 0 0 "[ . 1 . 2]" 2
637 1 23 LEU HB3 1 25 LEU MD2 . . 3.910 2.035 1.899 2.137 . 0 0 "[ . 1 . 2]" 2
638 1 18 CYS H 1 25 LEU MD2 . . 3.670 2.854 2.740 3.021 . 0 0 "[ . 1 . 2]" 2
639 1 25 LEU MD2 1 37 PHE HA . . 5.140 4.920 4.812 5.096 . 0 0 "[ . 1 . 2]" 2
640 1 31 THR H 1 31 THR MG . . 3.250 2.138 1.922 2.726 . 0 0 "[ . 1 . 2]" 2
641 1 31 THR MG 1 34 GLY H . . 4.340 4.260 4.174 4.342 0.002 6 0 "[ . 1 . 2]" 2
642 1 31 THR MG 1 37 PHE QE . . 3.620 3.336 2.709 3.585 . 0 0 "[ . 1 . 2]" 2
643 1 30 GLN HA 1 31 THR MG . . 4.060 3.575 3.142 3.690 . 0 0 "[ . 1 . 2]" 2
644 1 31 THR MG 1 36 ARG HA . . 4.680 3.491 3.262 3.784 . 0 0 "[ . 1 . 2]" 2
645 1 31 THR MG 1 53 CYS HA . . 4.590 3.823 3.445 4.123 . 0 0 "[ . 1 . 2]" 2
646 1 31 THR MG 1 65 VAL HB . . 5.500 5.310 4.937 5.501 0.001 6 0 "[ . 1 . 2]" 2
647 1 31 THR MG 1 60 ILE MD . . 3.280 3.010 2.729 3.267 . 0 0 "[ . 1 . 2]" 2
648 1 29 LYS HA 1 31 THR MG . . 5.500 5.502 5.500 5.505 0.005 13 0 "[ . 1 . 2]" 2
649 1 23 LEU HA 1 23 LEU MD2 . . 3.730 2.270 1.936 2.524 . 0 0 "[ . 1 . 2]" 2
650 1 18 CYS HB3 1 23 LEU MD2 . . 5.340 4.816 3.858 5.205 . 0 0 "[ . 1 . 2]" 2
651 1 23 LEU HB3 1 23 LEU MD2 . . 3.150 2.475 2.072 3.126 . 0 0 "[ . 1 . 2]" 2
652 1 16 TYR QD 1 28 PRO HD3 . . 4.220 2.539 2.360 2.648 . 0 0 "[ . 1 . 2]" 2
653 1 16 TYR HB3 1 28 PRO HD3 . . 4.720 3.455 3.333 3.858 . 0 0 "[ . 1 . 2]" 2
654 1 50 SER H 1 51 PRO HD3 . . 4.560 2.720 1.960 3.237 . 0 0 "[ . 1 . 2]" 2
655 1 51 PRO HD3 1 61 VAL MG2 . . 5.500 5.495 5.425 5.503 0.003 20 0 "[ . 1 . 2]" 2
656 1 46 LEU MD2 1 51 PRO HD3 . . 4.820 4.670 4.412 4.821 0.001 13 0 "[ . 1 . 2]" 2
657 1 50 SER HA 1 51 PRO HD3 . . 3.030 2.982 2.844 3.038 0.008 6 0 "[ . 1 . 2]" 2
658 1 46 LEU HA 1 51 PRO HD3 . . 4.240 3.548 3.293 3.685 . 0 0 "[ . 1 . 2]" 2
659 1 53 CYS HA 1 54 THR MG . . 5.070 4.891 4.781 4.967 . 0 0 "[ . 1 . 2]" 2
660 1 54 THR MG 1 55 ALA H . . 4.210 2.320 2.055 2.561 . 0 0 "[ . 1 . 2]" 2
661 1 37 PHE QD 1 54 THR MG . . 4.830 4.316 4.222 4.397 . 0 0 "[ . 1 . 2]" 2
662 1 54 THR H 1 54 THR MG . . 3.560 3.501 3.417 3.561 0.001 12 0 "[ . 1 . 2]" 2
663 1 20 LYS HA 1 54 THR MG . . 3.700 2.687 2.514 2.871 . 0 0 "[ . 1 . 2]" 2
664 1 20 LYS HB3 1 54 THR MG . . 4.770 4.514 4.409 4.580 . 0 0 "[ . 1 . 2]" 2
665 1 54 THR MG 1 55 ALA MB . . 4.590 3.202 3.058 3.359 . 0 0 "[ . 1 . 2]" 2
666 1 45 LEU MD1 1 54 THR MG . . 4.090 4.056 3.941 4.091 0.001 16 0 "[ . 1 . 2]" 2
667 1 45 LEU H 1 45 LEU MD2 . . 3.670 3.240 3.026 3.381 . 0 0 "[ . 1 . 2]" 2
668 1 45 LEU MD2 1 52 LYS H . . 4.420 4.191 3.969 4.406 . 0 0 "[ . 1 . 2]" 2
669 1 37 PHE QE 1 45 LEU MD2 . . 4.510 4.115 3.916 4.298 . 0 0 "[ . 1 . 2]" 2
670 1 45 LEU MD2 1 54 THR H . . 4.530 2.812 2.716 2.889 . 0 0 "[ . 1 . 2]" 2
671 1 45 LEU MD2 1 51 PRO HA . . 4.350 4.136 3.817 4.319 . 0 0 "[ . 1 . 2]" 2
672 1 45 LEU HA 1 45 LEU MD2 . . 2.700 2.135 1.981 2.307 . 0 0 "[ . 1 . 2]" 2
673 1 45 LEU MD2 1 53 CYS HA . . 4.110 4.083 3.899 4.111 0.001 6 0 "[ . 1 . 2]" 2
674 1 41 CYS HB3 1 45 LEU MD2 . . 4.500 4.314 4.037 4.489 . 0 0 "[ . 1 . 2]" 2
675 1 46 LEU H 1 46 LEU MD2 . . 3.560 3.287 3.046 3.476 . 0 0 "[ . 1 . 2]" 2
676 1 46 LEU MD2 1 61 VAL HA . . 4.070 2.275 1.911 2.593 . 0 0 "[ . 1 . 2]" 2
677 1 46 LEU HA 1 46 LEU MD2 . . 2.650 2.194 2.042 2.361 . 0 0 "[ . 1 . 2]" 2
678 1 42 MET HG3 1 46 LEU MD2 . . 4.140 3.924 3.676 4.141 0.001 13 0 "[ . 1 . 2]" 2
679 1 46 LEU MD2 1 51 PRO HB3 . . 3.490 3.272 2.998 3.491 0.001 15 0 "[ . 1 . 2]" 2
680 1 46 LEU MD2 1 51 PRO HG3 . . 3.640 2.704 2.388 2.900 . 0 0 "[ . 1 . 2]" 2
681 1 46 LEU MD2 1 60 ILE HB . . 3.440 2.052 1.912 2.338 . 0 0 "[ . 1 . 2]" 2
682 1 46 LEU MD2 1 60 ILE MD . . 3.650 3.412 3.053 3.650 0.000 5 0 "[ . 1 . 2]" 2
683 1 18 CYS H 1 24 VAL MG2 . . 4.970 4.873 4.730 4.973 0.003 16 0 "[ . 1 . 2]" 2
684 1 24 VAL H 1 24 VAL MG2 . . 3.110 2.457 2.129 2.631 . 0 0 "[ . 1 . 2]" 2
685 1 24 VAL HA 1 24 VAL MG2 . . 2.990 2.249 2.124 2.393 . 0 0 "[ . 1 . 2]" 2
686 1 23 LEU HA 1 24 VAL MG2 . . 4.160 3.969 3.701 4.165 0.005 16 0 "[ . 1 . 2]" 2
687 1 11 THR HA 1 11 THR MG . . 3.070 2.257 1.965 3.082 0.012 7 0 "[ . 1 . 2]" 2
688 1 11 THR H 1 11 THR MG . . 4.440 3.493 1.800 3.947 . 0 0 "[ . 1 . 2]" 2
689 1 61 VAL MG1 1 63 ASP H . . 3.530 1.991 1.825 2.184 . 0 0 "[ . 1 . 2]" 2
690 1 61 VAL H 1 61 VAL MG1 . . 3.950 3.859 3.769 3.909 . 0 0 "[ . 1 . 2]" 2
691 1 61 VAL MG1 1 63 ASP HA . . 4.500 3.893 3.742 4.061 . 0 0 "[ . 1 . 2]" 2
692 1 61 VAL HA 1 61 VAL MG1 . . 2.950 2.397 2.291 2.490 . 0 0 "[ . 1 . 2]" 2
693 1 61 VAL MG1 1 62 LYS HA . . 4.550 4.169 3.980 4.354 . 0 0 "[ . 1 . 2]" 2
694 1 61 VAL MG1 1 63 ASP HB3 . . 4.210 2.785 1.989 3.874 . 0 0 "[ . 1 . 2]" 2
695 1 29 LYS HA 1 65 VAL MG1 . . 5.200 2.552 2.349 2.891 . 0 0 "[ . 1 . 2]" 2
696 1 15 LYS HE3 1 24 VAL MG1 . . 4.590 2.387 1.841 4.150 . 0 0 "[ . 1 . 2]" 2
697 1 24 VAL MG1 1 25 LEU H . . 3.290 2.875 2.678 3.048 . 0 0 "[ . 1 . 2]" 2
698 1 23 LEU HA 1 24 VAL MG1 . . 5.500 5.440 5.398 5.474 . 0 0 "[ . 1 . 2]" 2
699 1 15 LYS HA 1 24 VAL MG1 . . 5.040 4.680 4.140 4.907 . 0 0 "[ . 1 . 2]" 2
700 1 24 VAL HA 1 24 VAL MG1 . . 3.040 2.459 2.315 2.540 . 0 0 "[ . 1 . 2]" 2
701 1 30 GLN H 1 65 VAL MG1 . . 5.500 4.220 2.669 4.874 . 0 0 "[ . 1 . 2]" 2
702 1 30 GLN H 1 65 VAL MG2 . . 5.500 4.299 3.908 5.500 . 0 0 "[ . 1 . 2]" 2
703 1 29 LYS HA 1 65 VAL MG2 . . 5.200 3.553 3.254 4.975 . 0 0 "[ . 1 . 2]" 2
704 1 9 VAL MG1 1 10 LYS HA . . 4.490 3.933 3.176 4.424 . 0 0 "[ . 1 . 2]" 2
705 1 61 VAL MG2 1 62 LYS H . . 4.210 3.940 3.803 4.095 . 0 0 "[ . 1 . 2]" 2
706 1 61 VAL H 1 61 VAL MG2 . . 3.240 3.097 2.906 3.242 0.002 18 0 "[ . 1 . 2]" 2
707 1 61 VAL MG2 1 64 LYS H . . 4.350 4.150 3.948 4.344 . 0 0 "[ . 1 . 2]" 2
708 1 60 ILE H 1 61 VAL MG2 . . 4.620 3.580 3.296 3.776 . 0 0 "[ . 1 . 2]" 2
709 1 9 VAL HA 1 9 VAL MG2 . . 3.420 2.278 2.083 2.470 . 0 0 "[ . 1 . 2]" 2
710 1 59 SER HA 1 61 VAL MG2 . . 4.850 4.551 4.300 4.711 . 0 0 "[ . 1 . 2]" 2
711 1 9 VAL MG2 1 10 LYS HA . . 4.490 3.818 3.307 4.489 . 0 0 "[ . 1 . 2]" 2
712 1 61 VAL HA 1 61 VAL MG2 . . 2.840 2.245 2.130 2.383 . 0 0 "[ . 1 . 2]" 2
713 1 35 HIS HD2 1 36 ARG H . . 4.160 3.947 3.781 4.160 . 0 0 "[ . 1 . 2]" 2
714 1 35 HIS HB3 1 35 HIS HD2 . . 3.860 2.877 2.846 2.913 . 0 0 "[ . 1 . 2]" 2
715 1 19 GLU HG3 1 35 HIS HD2 . . 4.210 2.088 1.999 2.264 . 0 0 "[ . 1 . 2]" 2
716 1 35 HIS HD2 1 55 ALA MB . . 3.790 2.567 2.330 2.809 . 0 0 "[ . 1 . 2]" 2
717 1 22 HIS HA 1 22 HIS HD2 . . 3.740 3.292 3.152 3.331 . 0 0 "[ . 1 . 2]" 2
718 1 21 CYS HA 1 22 HIS HD2 . . 4.810 3.698 3.646 3.890 . 0 0 "[ . 1 . 2]" 2
719 1 16 TYR H 1 16 TYR QE . . 4.790 4.435 3.811 4.680 . 0 0 "[ . 1 . 2]" 2
720 1 16 TYR QE 1 36 ARG HD3 . . 4.080 3.405 2.868 3.611 . 0 0 "[ . 1 . 2]" 2
721 1 16 TYR QE 1 28 PRO HG3 . . 4.380 4.294 4.170 4.398 0.018 17 0 "[ . 1 . 2]" 2
722 1 35 HIS HE1 1 56 CYS HA . . 4.520 4.404 4.267 4.514 . 0 0 "[ . 1 . 2]" 2
723 1 35 HIS HE1 1 56 CYS HB3 . . 2.990 2.277 2.084 2.345 . 0 0 "[ . 1 . 2]" 2
724 1 37 PHE HA 1 38 CYS H . . 3.070 2.462 2.393 2.502 . 0 0 "[ . 1 . 2]" 2
725 1 20 LYS H 1 37 PHE HA . . 4.740 4.172 4.103 4.232 . 0 0 "[ . 1 . 2]" 2
726 1 19 GLU H 1 37 PHE HA . . 3.580 2.228 2.185 2.318 . 0 0 "[ . 1 . 2]" 2
727 1 37 PHE HA 1 37 PHE QD . . 3.540 3.013 2.932 3.058 . 0 0 "[ . 1 . 2]" 2
728 1 18 CYS HA 1 37 PHE HA . . 3.290 2.063 1.998 2.309 . 0 0 "[ . 1 . 2]" 2
729 1 37 PHE HA 1 38 CYS HB3 . . 4.480 4.381 4.365 4.394 . 0 0 "[ . 1 . 2]" 2
730 1 36 ARG HB3 1 37 PHE HA . . 4.740 4.256 4.138 4.360 . 0 0 "[ . 1 . 2]" 2
731 1 25 LEU MD1 1 37 PHE HA . . 4.580 3.832 3.527 3.933 . 0 0 "[ . 1 . 2]" 2
732 1 16 TYR H 1 16 TYR QD . . 3.670 2.521 1.957 2.963 . 0 0 "[ . 1 . 2]" 2
733 1 16 TYR HA 1 16 TYR QD . . 3.230 2.720 2.091 3.126 . 0 0 "[ . 1 . 2]" 2
734 1 15 LYS HA 1 16 TYR QD . . 4.170 3.322 3.173 3.553 . 0 0 "[ . 1 . 2]" 2
735 1 16 TYR QD 1 36 ARG HD3 . . 3.550 2.025 1.998 2.116 . 0 0 "[ . 1 . 2]" 2
736 1 16 TYR QD 1 28 PRO HG3 . . 4.020 2.626 2.121 2.951 . 0 0 "[ . 1 . 2]" 2
737 1 16 TYR QD 1 36 ARG HG3 . . 4.870 4.616 4.467 4.873 0.003 16 0 "[ . 1 . 2]" 2
738 1 16 TYR QD 1 36 ARG HB3 . . 4.710 4.477 3.954 4.714 0.004 11 0 "[ . 1 . 2]" 2
739 1 16 TYR QD 1 25 LEU MD1 . . 4.710 4.644 4.411 4.712 0.002 6 0 "[ . 1 . 2]" 2
740 1 66 PHE HA 1 66 PHE QD . . 4.280 3.038 2.032 3.693 . 0 0 "[ . 1 . 2]" 2
741 1 65 VAL MG1 1 66 PHE QD . . 5.500 4.172 2.015 4.745 . 0 0 "[ . 1 . 2]" 2
742 1 65 VAL MG2 1 66 PHE QD . . 5.500 4.667 3.777 5.316 . 0 0 "[ . 1 . 2]" 2
743 1 66 PHE H 1 66 PHE QD . . 4.200 2.920 1.917 3.878 . 0 0 "[ . 1 . 2]" 2
744 1 36 ARG HA 1 37 PHE QD . . 4.420 3.240 3.118 3.330 . 0 0 "[ . 1 . 2]" 2
745 1 37 PHE QD 1 41 CYS HB3 . . 3.590 2.516 2.427 2.899 . 0 0 "[ . 1 . 2]" 2
746 1 31 THR MG 1 37 PHE QD . . 3.360 2.765 2.304 3.064 . 0 0 "[ . 1 . 2]" 2
747 1 37 PHE QE 1 55 ALA H . . 4.200 3.029 2.908 3.311 . 0 0 "[ . 1 . 2]" 2
748 1 19 GLU H 1 37 PHE QE . . 4.830 4.002 3.912 4.064 . 0 0 "[ . 1 . 2]" 2
749 1 37 PHE H 1 37 PHE QE . . 5.500 5.371 5.241 5.437 . 0 0 "[ . 1 . 2]" 2
750 1 37 PHE HA 1 37 PHE QE . . 4.820 4.575 4.554 4.598 . 0 0 "[ . 1 . 2]" 2
751 1 20 LYS HA 1 37 PHE QE . . 4.730 3.365 3.256 3.644 . 0 0 "[ . 1 . 2]" 2
752 1 37 PHE QE 1 41 CYS HB3 . . 5.250 3.899 3.764 4.407 . 0 0 "[ . 1 . 2]" 2
753 1 37 PHE QE 1 54 THR MG . . 3.340 2.416 2.299 2.508 . 0 0 "[ . 1 . 2]" 2
754 1 8 PHE HA 1 8 PHE QD . . 4.330 2.691 2.026 3.671 . 0 0 "[ . 1 . 2]" 2
755 1 19 GLU H 1 37 PHE QD . . 4.410 3.418 3.304 3.455 . 0 0 "[ . 1 . 2]" 2
756 1 18 CYS HA 1 37 PHE QD . . 4.760 4.427 4.309 4.538 . 0 0 "[ . 1 . 2]" 2
757 1 37 PHE QD 1 54 THR HB . . 5.120 4.357 4.251 4.473 . 0 0 "[ . 1 . 2]" 2
758 1 35 HIS HB3 1 37 PHE QD . . 4.500 4.083 3.874 4.292 . 0 0 "[ . 1 . 2]" 2
759 1 37 PHE QD 1 45 LEU MD2 . . 4.970 4.810 4.625 4.970 . 0 0 "[ . 1 . 2]" 2
760 1 19 GLU HA 1 37 PHE QD . . 5.420 5.279 5.120 5.359 . 0 0 "[ . 1 . 2]" 2
761 1 37 PHE HZ 1 55 ALA H . . 4.190 1.897 1.891 1.901 . 0 0 "[ . 1 . 2]" 2
762 1 19 GLU HG3 1 37 PHE HZ . . 4.500 4.486 4.331 4.502 0.002 9 0 "[ . 1 . 2]" 2
763 1 37 PHE HZ 1 54 THR H . . 3.810 2.884 2.753 2.966 . 0 0 "[ . 1 . 2]" 2
764 1 35 HIS HB3 1 37 PHE HZ . . 4.710 4.571 3.850 4.711 0.001 18 0 "[ . 1 . 2]" 2
765 1 37 PHE HZ 1 54 THR MG . . 4.150 2.060 1.964 2.656 . 0 0 "[ . 1 . 2]" 2
766 1 42 MET ME 1 42 MET HG3 . . 3.630 2.967 2.678 3.361 . 0 0 "[ . 1 . 2]" 2
767 1 42 MET HB3 1 42 MET ME . . 3.430 3.308 3.244 3.375 . 0 0 "[ . 1 . 2]" 2
768 1 31 THR MG 1 42 MET ME . . 2.900 2.447 2.268 2.512 . 0 0 "[ . 1 . 2]" 2
769 1 42 MET ME 1 60 ILE HB . . 5.430 3.944 3.482 4.617 . 0 0 "[ . 1 . 2]" 2
770 1 25 LEU MD1 1 38 CYS HA . . 3.860 2.078 1.979 2.358 . 0 0 "[ . 1 . 2]" 2
771 1 46 LEU MD2 1 62 LYS HA . . 3.800 3.755 3.477 3.802 0.002 15 0 "[ . 1 . 2]" 2
772 1 30 GLN HA 1 36 ARG HG3 . . 4.820 2.769 2.304 3.440 . 0 0 "[ . 1 . 2]" 2
773 1 31 THR HA 1 31 THR MG . . 3.130 2.442 2.384 2.504 . 0 0 "[ . 1 . 2]" 2
774 1 29 LYS HB3 1 30 GLN H . . 4.530 4.417 4.176 4.473 . 0 0 "[ . 1 . 2]" 2
775 1 20 LYS HA 1 37 PHE QD . . 4.880 4.594 4.498 4.697 . 0 0 "[ . 1 . 2]" 2
776 1 18 CYS HB3 1 25 LEU MD1 . . 4.410 4.238 3.744 4.411 0.001 2 0 "[ . 1 . 2]" 2
777 1 20 LYS HD3 1 37 PHE QE . . 4.540 3.725 3.589 4.214 . 0 0 "[ . 1 . 2]" 2
778 1 20 LYS H 1 20 LYS HD3 . . 5.500 5.500 5.472 5.508 0.008 10 0 "[ . 1 . 2]" 2
779 1 51 PRO HG3 1 60 ILE HB . . 4.550 3.903 3.679 4.000 . 0 0 "[ . 1 . 2]" 2
780 1 39 GLU HA 1 39 GLU HG3 . . 3.560 2.985 2.741 3.164 . 0 0 "[ . 1 . 2]" 2
781 1 39 GLU HA 1 42 MET HB3 . . 3.370 2.710 2.668 2.760 . 0 0 "[ . 1 . 2]" 2
782 1 39 GLU HA 1 43 ALA MB . . 5.070 4.439 4.300 4.559 . 0 0 "[ . 1 . 2]" 2
783 1 18 CYS HB3 1 21 CYS HB3 . . 5.330 5.078 5.029 5.141 . 0 0 "[ . 1 . 2]" 2
784 1 25 LEU MD2 1 38 CYS HA . . 3.330 3.033 2.913 3.168 . 0 0 "[ . 1 . 2]" 2
785 1 25 LEU HB3 1 25 LEU MD2 . . 3.180 2.148 2.100 2.219 . 0 0 "[ . 1 . 2]" 2
786 1 28 PRO HA 1 29 LYS HG3 . . 5.210 5.038 4.734 5.215 0.005 15 0 "[ . 1 . 2]" 2
787 1 30 GLN HA 1 36 ARG HA . . 4.030 2.634 2.445 2.835 . 0 0 "[ . 1 . 2]" 2
788 1 30 GLN HG3 1 34 GLY HA3 . . 5.500 5.264 4.897 5.502 0.002 19 0 "[ . 1 . 2]" 2
789 1 36 ARG HA 1 36 ARG HG3 . . 3.950 2.597 2.455 2.776 . 0 0 "[ . 1 . 2]" 2
790 1 39 GLU HB3 1 40 SER HA . . 4.480 3.878 3.783 3.998 . 0 0 "[ . 1 . 2]" 2
791 1 42 MET HG3 1 65 VAL MG1 . . 5.180 4.783 4.274 5.181 0.001 16 0 "[ . 1 . 2]" 2
792 1 42 MET HG3 1 65 VAL MG2 . . 5.180 4.562 4.282 5.025 . 0 0 "[ . 1 . 2]" 2
793 1 29 LYS HB3 1 42 MET HG3 . . 5.120 4.972 4.823 5.127 0.007 19 0 "[ . 1 . 2]" 2
794 1 42 MET HB3 1 43 ALA MB . . 4.110 3.876 3.802 3.950 . 0 0 "[ . 1 . 2]" 2
795 1 42 MET HG3 1 43 ALA MB . . 4.350 4.072 3.782 4.285 . 0 0 "[ . 1 . 2]" 2
796 1 45 LEU HB3 1 45 LEU MD2 . . 3.230 2.278 2.210 2.367 . 0 0 "[ . 1 . 2]" 2
797 1 42 MET HG3 1 46 LEU HB3 . . 5.500 5.414 5.185 5.503 0.003 6 0 "[ . 1 . 2]" 2
798 1 45 LEU MD1 1 54 THR HB . . 4.970 2.868 2.667 3.032 . 0 0 "[ . 1 . 2]" 2
799 1 58 GLU HB3 1 59 SER H . . 4.160 2.351 1.961 2.718 . 0 0 "[ . 1 . 2]" 2
800 1 33 CYS HA 1 58 GLU HB3 . . 5.160 4.326 4.153 4.640 . 0 0 "[ . 1 . 2]" 2
801 1 46 LEU HB3 1 51 PRO HD3 . . 5.500 5.379 5.116 5.502 0.002 16 0 "[ . 1 . 2]" 2
802 1 7 GLY QA 1 8 PHE HA . . 4.600 3.988 3.940 4.105 . 0 0 "[ . 1 . 2]" 2
803 1 8 PHE HA 1 9 VAL QG . . 4.830 3.930 3.447 4.612 . 0 0 "[ . 1 . 2]" 2
804 1 9 VAL H 1 9 VAL QG . . 3.680 2.276 1.940 3.357 . 0 0 "[ . 1 . 2]" 2
805 1 9 VAL HA 1 9 VAL QG . . 2.850 2.229 2.053 2.388 . 0 0 "[ . 1 . 2]" 2
806 1 9 VAL QG 1 10 LYS H . . 4.270 2.472 1.802 3.300 . 0 0 "[ . 1 . 2]" 2
807 1 9 VAL QG 1 10 LYS HA . . 3.770 3.389 3.069 3.691 . 0 0 "[ . 1 . 2]" 2
808 1 11 THR HA 1 12 VAL QG . . 4.050 3.605 3.240 4.043 . 0 0 "[ . 1 . 2]" 2
809 1 11 THR HB 1 12 VAL QG . . 5.190 4.602 3.830 4.996 . 0 0 "[ . 1 . 2]" 2
810 1 12 VAL H 1 12 VAL QG . . 3.200 2.338 1.883 2.886 . 0 0 "[ . 1 . 2]" 2
811 1 12 VAL HA 1 12 VAL QG . . 2.960 2.198 2.012 2.399 . 0 0 "[ . 1 . 2]" 2
812 1 12 VAL QG 1 13 GLU H . . 3.850 2.941 2.514 3.580 . 0 0 "[ . 1 . 2]" 2
813 1 12 VAL QG 1 13 GLU HA . . 4.550 3.748 3.447 4.392 . 0 0 "[ . 1 . 2]" 2
814 1 12 VAL QG 1 14 ASP H . . 4.990 3.752 2.504 4.778 . 0 0 "[ . 1 . 2]" 2
815 1 12 VAL QG 1 14 ASP HA . . 4.860 4.512 4.145 4.857 . 0 0 "[ . 1 . 2]" 2
816 1 18 CYS HB3 1 23 LEU QD . . 4.580 3.813 3.742 3.835 . 0 0 "[ . 1 . 2]" 2
817 1 21 CYS HB3 1 23 LEU QD . . 4.470 3.560 3.492 3.585 . 0 0 "[ . 1 . 2]" 2
818 1 23 LEU H 1 23 LEU QD . . 3.730 3.137 2.374 3.456 . 0 0 "[ . 1 . 2]" 2
819 1 23 LEU HA 1 23 LEU QD . . 2.840 2.237 1.891 2.488 . 0 0 "[ . 1 . 2]" 2
820 1 23 LEU QD 1 24 VAL H . . 3.530 3.095 2.958 3.216 . 0 0 "[ . 1 . 2]" 2
821 1 23 LEU QD 1 38 CYS HB3 . . 4.160 3.386 2.977 4.098 . 0 0 "[ . 1 . 2]" 2
822 1 29 LYS H 1 65 VAL QG . . 5.280 4.148 4.009 4.241 . 0 0 "[ . 1 . 2]" 2
823 1 29 LYS HA 1 65 VAL QG . . 3.840 2.485 2.320 2.740 . 0 0 "[ . 1 . 2]" 2
824 1 29 LYS HB3 1 65 VAL QG . . 3.230 1.700 1.667 1.812 . 0 0 "[ . 1 . 2]" 2
825 1 30 GLN H 1 65 VAL QG . . 4.760 3.724 2.652 3.995 . 0 0 "[ . 1 . 2]" 2
826 1 30 GLN QE 1 34 GLY HA2 . . 4.210 2.608 1.919 3.421 . 0 0 "[ . 1 . 2]" 2
827 1 30 GLN QE 1 34 GLY HA3 . . 4.690 3.870 3.232 4.453 . 0 0 "[ . 1 . 2]" 2
828 1 31 THR MG 1 65 VAL QG . . 3.490 2.787 2.589 2.921 . 0 0 "[ . 1 . 2]" 2
829 1 42 MET HG3 1 65 VAL QG . . 4.380 4.139 3.871 4.373 . 0 0 "[ . 1 . 2]" 2
830 1 42 MET ME 1 65 VAL QG . . 3.270 2.990 2.698 3.215 . 0 0 "[ . 1 . 2]" 2
831 1 46 LEU HG 1 65 VAL QG . . 4.970 4.929 4.751 4.971 0.001 7 0 "[ . 1 . 2]" 2
832 1 60 ILE HA 1 65 VAL QG . . 3.860 3.580 2.892 3.852 . 0 0 "[ . 1 . 2]" 2
833 1 60 ILE MG 1 65 VAL QG . . 3.250 2.478 2.127 2.786 . 0 0 "[ . 1 . 2]" 2
834 1 62 LYS HA 1 65 VAL QG . . 3.440 2.596 2.286 2.844 . 0 0 "[ . 1 . 2]" 2
835 1 64 LYS H 1 65 VAL QG . . 4.420 4.313 3.550 4.421 0.001 10 0 "[ . 1 . 2]" 2
836 1 65 VAL H 1 65 VAL QG . . 3.530 2.902 2.457 3.002 . 0 0 "[ . 1 . 2]" 2
837 1 65 VAL HA 1 65 VAL QG . . 2.970 1.973 1.928 2.089 . 0 0 "[ . 1 . 2]" 2
838 1 65 VAL QG 1 66 PHE H . . 3.340 2.360 1.990 2.648 . 0 0 "[ . 1 . 2]" 2
839 1 65 VAL QG 1 66 PHE HA . . 4.400 3.226 2.853 3.942 . 0 0 "[ . 1 . 2]" 2
840 1 65 VAL QG 1 66 PHE QD . . 4.690 3.844 2.010 4.379 . 0 0 "[ . 1 . 2]" 2
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