NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506540 |
2co8   |
10247 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2co8
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 26
_Distance_constraint_stats_list.Viol_count 263
_Distance_constraint_stats_list.Viol_total 65.688
_Distance_constraint_stats_list.Viol_max 0.063
_Distance_constraint_stats_list.Viol_rms 0.0106
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0125
_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 1.153 0.058 4 0 "[ . 1 . 2]"
1 21 CYS 0.796 0.034 5 0 "[ . 1 . 2]"
1 39 HIS 0.251 0.016 6 0 "[ . 1 . 2]"
1 42 CYS 1.484 0.063 4 0 "[ . 1 . 2]"
1 45 CYS 0.116 0.009 10 0 "[ . 1 . 2]"
1 48 CYS 0.150 0.011 7 0 "[ . 1 . 2]"
1 68 CYS 0.156 0.011 10 0 "[ . 1 . 2]"
1 71 HIS 0.163 0.016 19 0 "[ . 1 . 2]"
2 1 ZN 2.019 0.063 4 0 "[ . 1 . 2]"
3 1 ZN 0.282 0.016 19 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 . 2.330 2.370 2.372 2.326 2.392 0.022 10 0 "[ . 1 . 2]" 1
2 1 21 CYS SG 2 1 ZN ZN . 2.330 2.370 2.312 2.296 2.325 0.034 5 0 "[ . 1 . 2]" 1
3 1 39 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.342 2.320 2.386 0.016 6 0 "[ . 1 . 2]" 1
4 1 42 CYS SG 2 1 ZN ZN . 2.330 2.370 2.297 2.267 2.313 0.063 4 0 "[ . 1 . 2]" 1
5 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.219 3.192 3.236 0.058 4 0 "[ . 1 . 2]" 1
6 1 21 CYS CB 2 1 ZN ZN . 3.250 3.510 3.480 3.299 3.531 0.021 5 0 "[ . 1 . 2]" 1
7 1 42 CYS CB 2 1 ZN ZN . 3.250 3.510 3.333 3.234 3.464 0.016 18 0 "[ . 1 . 2]" 1
8 1 18 CYS SG 1 21 CYS SG . 3.200 4.000 3.673 3.391 4.003 0.003 5 0 "[ . 1 . 2]" 1
9 1 18 CYS SG 1 39 HIS ND1 . 3.200 4.000 3.497 3.184 3.784 0.016 6 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 42 CYS SG . 3.200 4.000 4.015 3.959 4.051 0.051 6 0 "[ . 1 . 2]" 1
11 1 21 CYS SG 1 39 HIS ND1 . 3.200 4.000 3.407 3.199 3.673 0.001 19 0 "[ . 1 . 2]" 1
12 1 21 CYS SG 1 42 CYS SG . 3.200 4.000 4.017 4.008 4.029 0.029 12 0 "[ . 1 . 2]" 1
13 1 39 HIS ND1 1 42 CYS SG . 3.200 4.000 3.867 3.240 4.015 0.015 17 0 "[ . 1 . 2]" 1
14 1 45 CYS SG 3 1 ZN ZN . 2.330 2.370 2.365 2.327 2.377 0.007 16 0 "[ . 1 . 2]" 1
15 1 48 CYS SG 3 1 ZN ZN . 2.330 2.370 2.328 2.319 2.361 0.011 7 0 "[ . 1 . 2]" 1
16 1 68 CYS SG 3 1 ZN ZN . 2.330 2.370 2.353 2.323 2.377 0.007 18 0 "[ . 1 . 2]" 1
17 1 71 HIS ND1 3 1 ZN ZN . 2.330 2.370 2.369 2.329 2.386 0.016 19 0 "[ . 1 . 2]" 1
18 1 45 CYS CB 3 1 ZN ZN . 3.250 3.510 3.426 3.368 3.477 . 0 0 "[ . 1 . 2]" 1
19 1 48 CYS CB 3 1 ZN ZN . 3.250 3.510 3.404 3.287 3.514 0.004 17 0 "[ . 1 . 2]" 1
20 1 68 CYS CB 3 1 ZN ZN . 3.250 3.510 3.506 3.468 3.521 0.011 10 0 "[ . 1 . 2]" 1
21 1 45 CYS SG 1 48 CYS SG . 3.200 4.000 3.397 3.197 3.544 0.003 18 0 "[ . 1 . 2]" 1
22 1 45 CYS SG 1 68 CYS SG . 3.200 4.000 3.663 3.579 3.741 . 0 0 "[ . 1 . 2]" 1
23 1 45 CYS SG 1 71 HIS ND1 . 3.200 4.000 3.997 3.948 4.009 0.009 10 0 "[ . 1 . 2]" 1
24 1 48 CYS SG 1 68 CYS SG . 3.200 4.000 3.991 3.940 4.009 0.009 18 0 "[ . 1 . 2]" 1
25 1 48 CYS SG 1 71 HIS ND1 . 3.200 4.000 3.935 3.852 4.003 0.003 11 0 "[ . 1 . 2]" 1
26 1 68 CYS SG 1 71 HIS ND1 . 3.200 4.000 3.953 3.898 3.997 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1428
_Distance_constraint_stats_list.Viol_count 1054
_Distance_constraint_stats_list.Viol_total 534.722
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0067
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0254
_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 9 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.052 0.052 10 0 "[ . 1 . 2]"
1 12 ALA 0.052 0.052 10 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASP 0.368 0.037 4 0 "[ . 1 . 2]"
1 17 LEU 1.515 0.107 9 0 "[ . 1 . 2]"
1 18 CYS 1.940 0.098 13 0 "[ . 1 . 2]"
1 19 ALA 1.080 0.138 15 0 "[ . 1 . 2]"
1 20 LEU 1.633 0.138 15 0 "[ . 1 . 2]"
1 21 CYS 0.451 0.072 13 0 "[ . 1 . 2]"
1 22 GLY 1.194 0.075 4 0 "[ . 1 . 2]"
1 23 GLU 0.714 0.072 13 0 "[ . 1 . 2]"
1 24 HIS 0.695 0.107 9 0 "[ . 1 . 2]"
1 25 LEU 1.386 0.081 8 0 "[ . 1 . 2]"
1 26 TYR 0.553 0.055 4 0 "[ . 1 . 2]"
1 27 VAL 0.866 0.116 11 0 "[ . 1 . 2]"
1 28 LEU 0.265 0.056 20 0 "[ . 1 . 2]"
1 29 GLU 1.014 0.116 11 0 "[ . 1 . 2]"
1 30 ARG 0.649 0.109 11 0 "[ . 1 . 2]"
1 31 LEU 0.735 0.088 7 0 "[ . 1 . 2]"
1 32 CYS 0.880 0.197 7 0 "[ . 1 . 2]"
1 33 VAL 1.112 0.197 7 0 "[ . 1 . 2]"
1 34 ASN 0.049 0.017 15 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 HIS 0.205 0.031 6 0 "[ . 1 . 2]"
1 37 PHE 0.355 0.104 15 0 "[ . 1 . 2]"
1 38 PHE 1.264 0.085 8 0 "[ . 1 . 2]"
1 39 HIS 2.115 0.098 13 0 "[ . 1 . 2]"
1 40 ARG 0.498 0.073 4 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 CYS 1.402 0.095 14 0 "[ . 1 . 2]"
1 43 PHE 0.751 0.058 16 0 "[ . 1 . 2]"
1 44 ARG 0.890 0.092 14 0 "[ . 1 . 2]"
1 45 CYS 1.405 0.064 5 0 "[ . 1 . 2]"
1 46 HIS 1.712 0.085 19 0 "[ . 1 . 2]"
1 47 THR 2.864 0.085 19 0 "[ . 1 . 2]"
1 48 CYS 0.400 0.052 11 0 "[ . 1 . 2]"
1 49 GLU 1.035 0.112 7 0 "[ . 1 . 2]"
1 50 ALA 1.022 0.112 7 0 "[ . 1 . 2]"
1 51 THR 1.137 0.092 14 0 "[ . 1 . 2]"
1 52 LEU 1.117 0.052 11 0 "[ . 1 . 2]"
1 53 TRP 1.985 0.114 19 0 "[ . 1 . 2]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.072 0.072 13 0 "[ . 1 . 2]"
1 57 TYR 2.427 0.114 19 0 "[ . 1 . 2]"
1 58 GLU 0.116 0.020 7 0 "[ . 1 . 2]"
1 59 GLN 0.318 0.021 5 0 "[ . 1 . 2]"
1 60 HIS 0.465 0.029 2 0 "[ . 1 . 2]"
1 61 PRO 0.031 0.010 15 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.036 0.017 19 0 "[ . 1 . 2]"
1 65 HIS 0.157 0.051 3 0 "[ . 1 . 2]"
1 66 PHE 0.111 0.020 5 0 "[ . 1 . 2]"
1 67 TYR 1.591 0.064 5 0 "[ . 1 . 2]"
1 68 CYS 1.820 0.057 7 0 "[ . 1 . 2]"
1 69 LEU 0.758 0.045 19 0 "[ . 1 . 2]"
1 70 GLN 1.644 0.079 18 0 "[ . 1 . 2]"
1 71 HIS 1.093 0.079 18 0 "[ . 1 . 2]"
1 72 LEU 1.413 0.057 7 0 "[ . 1 . 2]"
1 73 PRO 1.278 0.105 15 0 "[ . 1 . 2]"
1 74 GLN 1.200 0.105 15 0 "[ . 1 . 2]"
1 75 THR 0.111 0.104 2 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PRO 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 19 ALA H 1 37 PHE H . . 5.120 4.883 4.429 5.148 0.028 18 0 "[ . 1 . 2]" 2
2 1 19 ALA H 1 25 LEU MD1 . . 4.600 4.113 3.677 4.414 . 0 0 "[ . 1 . 2]" 2
3 1 19 ALA H 1 38 PHE HZ . . 5.500 5.472 5.145 5.585 0.085 8 0 "[ . 1 . 2]" 2
4 1 19 ALA H 1 38 PHE QE . . 4.820 4.026 3.453 4.238 . 0 0 "[ . 1 . 2]" 2
5 1 19 ALA H 1 38 PHE QD . . 4.440 3.035 2.461 3.344 . 0 0 "[ . 1 . 2]" 2
6 1 19 ALA H 1 38 PHE HA . . 3.710 2.691 2.262 3.075 . 0 0 "[ . 1 . 2]" 2
7 1 18 CYS HA 1 19 ALA H . . 2.870 2.281 2.140 2.393 . 0 0 "[ . 1 . 2]" 2
8 1 18 CYS HB3 1 19 ALA H . . 4.530 3.894 3.682 4.227 . 0 0 "[ . 1 . 2]" 2
9 1 19 ALA H 1 38 PHE HB3 . . 5.000 3.965 3.425 4.526 . 0 0 "[ . 1 . 2]" 2
10 1 18 CYS HB2 1 19 ALA H . . 4.360 3.952 3.640 4.362 0.002 13 0 "[ . 1 . 2]" 2
11 1 19 ALA H 1 19 ALA MB . . 2.950 2.238 2.112 2.363 . 0 0 "[ . 1 . 2]" 2
12 1 60 HIS H 1 67 TYR H . . 4.600 3.604 3.483 3.961 . 0 0 "[ . 1 . 2]" 2
13 1 60 HIS H 1 64 GLY H . . 5.140 4.896 4.206 5.136 . 0 0 "[ . 1 . 2]" 2
14 1 60 HIS H 1 67 TYR QD . . 3.520 2.530 2.308 2.862 . 0 0 "[ . 1 . 2]" 2
15 1 60 HIS H 1 60 HIS HB3 . . 3.410 2.744 2.645 2.807 . 0 0 "[ . 1 . 2]" 2
16 1 60 HIS H 1 61 PRO HD3 . . 4.910 4.737 4.634 4.838 . 0 0 "[ . 1 . 2]" 2
17 1 60 HIS H 1 61 PRO HD2 . . 4.940 4.779 4.732 4.821 . 0 0 "[ . 1 . 2]" 2
18 1 60 HIS H 1 60 HIS HB2 . . 3.430 2.361 2.290 2.541 . 0 0 "[ . 1 . 2]" 2
19 1 60 HIS H 1 65 HIS HB2 . . 5.340 4.936 4.674 5.268 . 0 0 "[ . 1 . 2]" 2
20 1 59 GLN HB2 1 60 HIS H . . 4.550 4.330 3.968 4.494 . 0 0 "[ . 1 . 2]" 2
21 1 59 GLN HB3 1 60 HIS H . . 4.550 4.399 4.192 4.494 . 0 0 "[ . 1 . 2]" 2
22 1 60 HIS H 1 72 LEU MD1 . . 3.730 2.423 2.103 2.869 . 0 0 "[ . 1 . 2]" 2
23 1 60 HIS H 1 73 PRO HD2 . . 5.070 4.485 4.211 4.889 . 0 0 "[ . 1 . 2]" 2
24 1 72 LEU MD2 1 74 GLN HE21 . . 5.220 2.999 2.277 3.857 . 0 0 "[ . 1 . 2]" 2
25 1 72 LEU MD2 1 74 GLN HE22 . . 5.220 3.849 2.865 4.794 . 0 0 "[ . 1 . 2]" 2
26 1 19 ALA H 1 22 GLY H . . 5.190 4.700 4.320 5.127 . 0 0 "[ . 1 . 2]" 2
27 1 22 GLY H 1 39 HIS HE1 . . 4.970 4.208 3.144 5.038 0.068 13 0 "[ . 1 . 2]" 2
28 1 17 LEU HB2 1 22 GLY H . . 5.500 5.489 5.297 5.556 0.056 17 0 "[ . 1 . 2]" 2
29 1 20 LEU H 1 22 GLY H . . 4.470 3.956 3.222 4.334 . 0 0 "[ . 1 . 2]" 2
30 1 18 CYS HB3 1 22 GLY H . . 3.640 2.178 1.906 2.517 . 0 0 "[ . 1 . 2]" 2
31 1 21 CYS HB3 1 22 GLY H . . 4.430 3.855 3.818 4.000 . 0 0 "[ . 1 . 2]" 2
32 1 18 CYS HB2 1 22 GLY H . . 4.300 3.899 3.648 4.161 . 0 0 "[ . 1 . 2]" 2
33 1 20 LEU HB3 1 22 GLY H . . 5.270 5.102 4.785 5.322 0.052 11 0 "[ . 1 . 2]" 2
34 1 17 LEU HB3 1 22 GLY H . . 5.110 5.014 4.639 5.185 0.075 4 0 "[ . 1 . 2]" 2
35 1 20 LEU HB2 1 22 GLY H . . 4.800 4.626 4.375 4.772 . 0 0 "[ . 1 . 2]" 2
36 1 33 VAL MG1 1 34 ASN HD21 . . 4.820 3.526 1.930 4.728 . 0 0 "[ . 1 . 2]" 2
37 1 33 VAL MG1 1 34 ASN HD22 . . 4.820 3.694 3.147 4.240 . 0 0 "[ . 1 . 2]" 2
38 1 46 HIS H 1 67 TYR H . . 5.500 5.371 5.279 5.503 0.003 3 0 "[ . 1 . 2]" 2
39 1 46 HIS H 1 68 CYS H . . 4.520 3.863 3.808 3.915 . 0 0 "[ . 1 . 2]" 2
40 1 46 HIS H 1 47 THR H . . 3.800 2.213 2.136 2.307 . 0 0 "[ . 1 . 2]" 2
41 1 46 HIS H 1 67 TYR QD . . 4.330 2.931 2.728 3.083 . 0 0 "[ . 1 . 2]" 2
42 1 46 HIS H 1 67 TYR HA . . 3.690 2.663 2.558 2.796 . 0 0 "[ . 1 . 2]" 2
43 1 45 CYS HA 1 46 HIS H . . 3.220 2.414 2.390 2.440 . 0 0 "[ . 1 . 2]" 2
44 1 46 HIS H 1 47 THR HB . . 5.150 4.138 4.109 4.186 . 0 0 "[ . 1 . 2]" 2
45 1 46 HIS H 1 49 GLU HA . . 5.500 4.823 4.713 4.926 . 0 0 "[ . 1 . 2]" 2
46 1 45 CYS HB3 1 46 HIS H . . 4.740 3.456 3.383 3.526 . 0 0 "[ . 1 . 2]" 2
47 1 46 HIS H 1 67 TYR HB3 . . 4.870 3.867 3.693 4.025 . 0 0 "[ . 1 . 2]" 2
48 1 46 HIS H 1 46 HIS HB2 . . 3.320 3.000 2.932 3.089 . 0 0 "[ . 1 . 2]" 2
49 1 46 HIS H 1 46 HIS HB3 . . 3.440 2.432 2.374 2.496 . 0 0 "[ . 1 . 2]" 2
50 1 46 HIS H 1 52 LEU MD2 . . 4.730 4.359 4.184 4.587 . 0 0 "[ . 1 . 2]" 2
51 1 46 HIS H 1 46 HIS HD2 . . 4.920 4.724 4.566 4.859 . 0 0 "[ . 1 . 2]" 2
52 1 51 THR HB 1 53 TRP HE1 . . 4.120 4.038 3.488 4.151 0.031 17 0 "[ . 1 . 2]" 2
53 1 53 TRP HB2 1 53 TRP HE1 . . 5.150 4.800 4.773 4.815 . 0 0 "[ . 1 . 2]" 2
54 1 51 THR MG 1 53 TRP HE1 . . 4.790 4.669 4.296 4.792 0.002 8 0 "[ . 1 . 2]" 2
55 1 59 GLN HE21 1 64 GLY H . . 5.140 4.806 4.549 5.118 . 0 0 "[ . 1 . 2]" 2
56 1 59 GLN HE22 1 64 GLY HA3 . . 4.990 4.896 4.699 5.007 0.017 19 0 "[ . 1 . 2]" 2
57 1 59 GLN HB2 1 59 GLN HE22 . . 5.240 4.862 4.587 5.251 0.011 12 0 "[ . 1 . 2]" 2
58 1 59 GLN HB3 1 59 GLN HE22 . . 5.240 4.480 4.344 4.712 . 0 0 "[ . 1 . 2]" 2
59 1 33 VAL H 1 36 HIS HA . . 5.090 4.763 4.612 4.971 . 0 0 "[ . 1 . 2]" 2
60 1 33 VAL H 1 38 PHE H . . 4.890 4.660 4.447 4.856 . 0 0 "[ . 1 . 2]" 2
61 1 32 CYS H 1 33 VAL H . . 4.560 4.272 4.134 4.451 . 0 0 "[ . 1 . 2]" 2
62 1 33 VAL H 1 36 HIS H . . 3.860 3.692 2.865 3.871 0.011 15 0 "[ . 1 . 2]" 2
63 1 33 VAL H 1 38 PHE QE . . 4.340 3.421 2.947 4.074 . 0 0 "[ . 1 . 2]" 2
64 1 33 VAL H 1 38 PHE QD . . 4.770 3.614 3.217 4.134 . 0 0 "[ . 1 . 2]" 2
65 1 33 VAL H 1 37 PHE HA . . 4.000 3.166 2.837 3.428 . 0 0 "[ . 1 . 2]" 2
66 1 32 CYS HA 1 33 VAL H . . 2.980 2.194 2.140 2.254 . 0 0 "[ . 1 . 2]" 2
67 1 33 VAL H 1 36 HIS HB2 . . 4.580 4.134 3.790 4.407 . 0 0 "[ . 1 . 2]" 2
68 1 32 CYS HB2 1 33 VAL H . . 4.540 4.151 3.787 4.638 0.098 7 0 "[ . 1 . 2]" 2
69 1 32 CYS HB3 1 33 VAL H . . 4.540 4.321 3.898 4.518 . 0 0 "[ . 1 . 2]" 2
70 1 33 VAL H 1 33 VAL HB . . 3.580 2.752 2.641 2.960 . 0 0 "[ . 1 . 2]" 2
71 1 33 VAL H 1 33 VAL MG1 . . 4.060 3.893 3.843 3.963 . 0 0 "[ . 1 . 2]" 2
72 1 33 VAL H 1 33 VAL MG2 . . 3.780 2.786 2.614 2.928 . 0 0 "[ . 1 . 2]" 2
73 1 62 GLY H 1 64 GLY H . . 5.380 4.509 3.863 5.021 . 0 0 "[ . 1 . 2]" 2
74 1 60 HIS HB3 1 64 GLY H . . 4.020 3.373 3.029 3.536 . 0 0 "[ . 1 . 2]" 2
75 1 60 HIS HB2 1 64 GLY H . . 5.210 5.087 4.784 5.223 0.013 3 0 "[ . 1 . 2]" 2
76 1 63 ASP HB3 1 64 GLY H . . 4.980 3.299 2.370 4.019 . 0 0 "[ . 1 . 2]" 2
77 1 63 ASP HB2 1 64 GLY H . . 4.980 2.719 2.028 3.697 . 0 0 "[ . 1 . 2]" 2
78 1 59 GLN HG2 1 64 GLY H . . 5.500 4.719 4.292 5.256 . 0 0 "[ . 1 . 2]" 2
79 1 59 GLN HG3 1 64 GLY H . . 5.500 5.377 4.854 5.501 0.001 19 0 "[ . 1 . 2]" 2
80 1 12 ALA MB 1 13 GLY H . . 4.920 2.883 2.268 3.669 . 0 0 "[ . 1 . 2]" 2
81 1 56 GLY H 1 57 TYR QE . . 4.620 4.232 3.744 4.595 . 0 0 "[ . 1 . 2]" 2
82 1 56 GLY H 1 69 LEU MD1 . . 5.020 4.211 3.999 4.574 . 0 0 "[ . 1 . 2]" 2
83 1 56 GLY H 1 57 TYR QD . . 3.970 2.413 2.058 2.703 . 0 0 "[ . 1 . 2]" 2
84 1 56 GLY H 1 69 LEU MD2 . . 5.020 4.745 4.530 4.926 . 0 0 "[ . 1 . 2]" 2
85 1 39 HIS HB3 1 40 ARG H . . 4.410 2.902 2.366 3.434 . 0 0 "[ . 1 . 2]" 2
86 1 29 GLU HB3 1 40 ARG H . . 4.680 3.501 2.801 4.151 . 0 0 "[ . 1 . 2]" 2
87 1 40 ARG H 1 40 ARG HB2 . . 3.960 2.308 2.148 2.592 . 0 0 "[ . 1 . 2]" 2
88 1 40 ARG H 1 40 ARG HB3 . . 3.960 3.521 2.987 3.612 . 0 0 "[ . 1 . 2]" 2
89 1 40 ARG H 1 40 ARG QG . . 3.980 2.651 2.192 3.735 . 0 0 "[ . 1 . 2]" 2
90 1 39 HIS HA 1 40 ARG H . . 3.490 2.256 2.141 2.439 . 0 0 "[ . 1 . 2]" 2
91 1 39 HIS HB2 1 40 ARG H . . 4.660 4.069 3.731 4.352 . 0 0 "[ . 1 . 2]" 2
92 1 15 GLY H 1 16 ASP H . . 4.780 3.121 2.027 4.259 . 0 0 "[ . 1 . 2]" 2
93 1 14 ALA MB 1 15 GLY H . . 4.870 2.855 2.312 3.667 . 0 0 "[ . 1 . 2]" 2
94 1 25 LEU H 1 26 TYR H . . 4.790 4.488 4.399 4.546 . 0 0 "[ . 1 . 2]" 2
95 1 18 CYS H 1 25 LEU H . . 4.820 4.400 3.832 4.779 . 0 0 "[ . 1 . 2]" 2
96 1 17 LEU HA 1 25 LEU H . . 3.840 3.292 2.640 3.654 . 0 0 "[ . 1 . 2]" 2
97 1 16 ASP QB 1 25 LEU H . . 4.860 4.025 3.651 4.534 . 0 0 "[ . 1 . 2]" 2
98 1 25 LEU H 1 25 LEU HB2 . . 3.740 2.495 2.359 2.791 . 0 0 "[ . 1 . 2]" 2
99 1 24 HIS H 1 25 LEU H . . 4.730 4.527 4.001 4.645 . 0 0 "[ . 1 . 2]" 2
100 1 25 LEU H 1 26 TYR HA . . 5.180 4.967 4.693 5.113 . 0 0 "[ . 1 . 2]" 2
101 1 25 LEU H 1 25 LEU MD2 . . 4.310 4.137 3.832 4.338 0.028 10 0 "[ . 1 . 2]" 2
102 1 24 HIS HA 1 25 LEU H . . 3.100 2.274 2.150 2.600 . 0 0 "[ . 1 . 2]" 2
103 1 24 HIS HB3 1 25 LEU H . . 4.490 3.560 2.832 3.969 . 0 0 "[ . 1 . 2]" 2
104 1 25 LEU H 1 25 LEU HB3 . . 3.800 3.681 3.581 3.852 0.052 9 0 "[ . 1 . 2]" 2
105 1 17 LEU MD2 1 25 LEU H . . 4.130 3.026 2.764 3.415 . 0 0 "[ . 1 . 2]" 2
106 1 25 LEU H 1 25 LEU MD1 . . 4.300 3.835 3.552 4.172 . 0 0 "[ . 1 . 2]" 2
107 1 24 HIS HB2 1 25 LEU H . . 4.490 4.176 3.747 4.426 . 0 0 "[ . 1 . 2]" 2
108 1 51 THR HB 1 52 LEU H . . 4.570 4.388 4.323 4.429 . 0 0 "[ . 1 . 2]" 2
109 1 51 THR HA 1 52 LEU H . . 3.290 2.184 2.145 2.216 . 0 0 "[ . 1 . 2]" 2
110 1 43 PHE HB3 1 52 LEU H . . 4.780 4.209 3.714 4.525 . 0 0 "[ . 1 . 2]" 2
111 1 52 LEU H 1 52 LEU HG . . 3.480 2.320 2.164 2.455 . 0 0 "[ . 1 . 2]" 2
112 1 52 LEU H 1 52 LEU HB2 . . 3.650 2.476 2.439 2.535 . 0 0 "[ . 1 . 2]" 2
113 1 31 LEU H 1 38 PHE H . . 3.830 1.915 1.785 2.222 . 0 0 "[ . 1 . 2]" 2
114 1 30 ARG H 1 31 LEU H . . 4.710 4.458 4.046 4.641 . 0 0 "[ . 1 . 2]" 2
115 1 31 LEU H 1 37 PHE QD . . 5.020 3.465 2.789 4.382 . 0 0 "[ . 1 . 2]" 2
116 1 31 LEU H 1 37 PHE HA . . 4.670 3.368 2.889 3.792 . 0 0 "[ . 1 . 2]" 2
117 1 30 ARG HA 1 31 LEU H . . 3.000 2.186 2.148 2.279 . 0 0 "[ . 1 . 2]" 2
118 1 31 LEU H 1 38 PHE HB3 . . 5.400 5.160 4.916 5.412 0.012 5 0 "[ . 1 . 2]" 2
119 1 30 ARG QD 1 31 LEU H . . 5.250 5.000 4.606 5.261 0.011 10 0 "[ . 1 . 2]" 2
120 1 31 LEU H 1 37 PHE HB2 . . 5.500 4.771 4.459 5.002 . 0 0 "[ . 1 . 2]" 2
121 1 31 LEU H 1 38 PHE HB2 . . 4.570 4.053 3.794 4.343 . 0 0 "[ . 1 . 2]" 2
122 1 30 ARG HB2 1 31 LEU H . . 3.550 3.160 2.821 3.393 . 0 0 "[ . 1 . 2]" 2
123 1 31 LEU H 1 31 LEU HB2 . . 3.700 2.388 2.263 2.874 . 0 0 "[ . 1 . 2]" 2
124 1 31 LEU H 1 31 LEU HB3 . . 3.700 3.465 2.776 3.640 . 0 0 "[ . 1 . 2]" 2
125 1 31 LEU H 1 31 LEU MD1 . . 4.800 2.985 2.338 4.290 . 0 0 "[ . 1 . 2]" 2
126 1 25 LEU MD1 1 31 LEU H . . 4.380 4.125 3.726 4.391 0.011 12 0 "[ . 1 . 2]" 2
127 1 25 LEU MD2 1 31 LEU H . . 4.330 3.294 2.706 3.706 . 0 0 "[ . 1 . 2]" 2
128 1 45 CYS HB3 1 50 ALA H . . 3.270 1.915 1.875 1.958 . 0 0 "[ . 1 . 2]" 2
129 1 45 CYS HB2 1 50 ALA H . . 3.540 2.413 2.281 2.633 . 0 0 "[ . 1 . 2]" 2
130 1 49 GLU HB2 1 50 ALA H . . 4.540 4.322 4.082 4.433 . 0 0 "[ . 1 . 2]" 2
131 1 50 ALA H 1 50 ALA MB . . 2.830 2.299 2.226 2.372 . 0 0 "[ . 1 . 2]" 2
132 1 50 ALA H 1 52 LEU MD2 . . 4.400 3.844 3.622 4.248 . 0 0 "[ . 1 . 2]" 2
133 1 48 CYS H 1 50 ALA H . . 4.080 3.785 3.530 3.933 . 0 0 "[ . 1 . 2]" 2
134 1 49 GLU H 1 50 ALA H . . 3.510 2.896 2.710 2.987 . 0 0 "[ . 1 . 2]" 2
135 1 45 CYS HA 1 50 ALA H . . 4.730 4.052 3.954 4.381 . 0 0 "[ . 1 . 2]" 2
136 1 31 LEU H 1 32 CYS H . . 4.550 4.085 3.911 4.155 . 0 0 "[ . 1 . 2]" 2
137 1 31 LEU HA 1 32 CYS H . . 3.100 2.183 2.157 2.214 . 0 0 "[ . 1 . 2]" 2
138 1 32 CYS H 1 32 CYS HB2 . . 3.790 3.093 2.244 3.594 . 0 0 "[ . 1 . 2]" 2
139 1 32 CYS H 1 32 CYS HB3 . . 3.790 2.835 2.343 3.583 . 0 0 "[ . 1 . 2]" 2
140 1 32 CYS H 1 33 VAL MG2 . . 4.790 3.948 3.655 4.114 . 0 0 "[ . 1 . 2]" 2
141 1 49 GLU HB3 1 50 ALA H . . 4.540 4.474 4.377 4.652 0.112 7 0 "[ . 1 . 2]" 2
142 1 49 GLU QG 1 50 ALA H . . 4.770 4.426 3.967 4.650 . 0 0 "[ . 1 . 2]" 2
143 1 67 TYR HA 1 72 LEU H . . 5.500 5.443 5.395 5.498 . 0 0 "[ . 1 . 2]" 2
144 1 68 CYS HB3 1 72 LEU H . . 5.500 5.525 5.502 5.557 0.057 7 0 "[ . 1 . 2]" 2
145 1 59 GLN H 1 66 PHE QD . . 4.360 4.133 3.925 4.361 0.001 13 0 "[ . 1 . 2]" 2
146 1 59 GLN H 1 66 PHE HA . . 4.890 4.706 4.554 4.910 0.020 5 0 "[ . 1 . 2]" 2
147 1 57 TYR QE 1 59 GLN H . . 5.040 4.880 4.607 5.054 0.014 3 0 "[ . 1 . 2]" 2
148 1 58 GLU HA 1 59 GLN H . . 2.990 2.298 2.213 2.373 . 0 0 "[ . 1 . 2]" 2
149 1 58 GLU QG 1 59 GLN H . . 4.050 3.847 3.497 4.070 0.020 7 0 "[ . 1 . 2]" 2
150 1 59 GLN H 1 59 GLN HB2 . . 3.510 3.001 2.836 3.137 . 0 0 "[ . 1 . 2]" 2
151 1 59 GLN H 1 59 GLN HB3 . . 3.510 2.463 2.361 2.565 . 0 0 "[ . 1 . 2]" 2
152 1 59 GLN H 1 72 LEU MD1 . . 4.230 3.637 3.448 3.815 . 0 0 "[ . 1 . 2]" 2
153 1 68 CYS H 1 72 LEU H . . 4.880 4.019 3.977 4.112 . 0 0 "[ . 1 . 2]" 2
154 1 70 GLN H 1 72 LEU H . . 4.050 3.063 3.004 3.126 . 0 0 "[ . 1 . 2]" 2
155 1 71 HIS H 1 72 LEU H . . 2.900 1.833 1.772 1.934 . 0 0 "[ . 1 . 2]" 2
156 1 70 GLN HA 1 72 LEU H . . 4.430 4.448 4.418 4.483 0.053 7 0 "[ . 1 . 2]" 2
157 1 69 LEU HA 1 72 LEU H . . 3.760 3.682 3.635 3.738 . 0 0 "[ . 1 . 2]" 2
158 1 67 TYR HB3 1 72 LEU H . . 3.770 3.551 3.477 3.619 . 0 0 "[ . 1 . 2]" 2
159 1 71 HIS HB2 1 72 LEU H . . 3.950 3.204 3.153 3.257 . 0 0 "[ . 1 . 2]" 2
160 1 67 TYR HB2 1 72 LEU H . . 3.870 3.573 3.500 3.722 . 0 0 "[ . 1 . 2]" 2
161 1 72 LEU H 1 73 PRO HD2 . . 4.870 4.674 4.635 4.708 . 0 0 "[ . 1 . 2]" 2
162 1 72 LEU H 1 73 PRO HD3 . . 4.600 4.537 4.462 4.593 . 0 0 "[ . 1 . 2]" 2
163 1 72 LEU H 1 72 LEU HB3 . . 2.820 2.657 2.586 2.751 . 0 0 "[ . 1 . 2]" 2
164 1 72 LEU H 1 72 LEU HB2 . . 2.940 2.370 2.295 2.431 . 0 0 "[ . 1 . 2]" 2
165 1 72 LEU H 1 72 LEU MD1 . . 4.070 3.931 3.841 4.045 . 0 0 "[ . 1 . 2]" 2
166 1 59 GLN H 1 66 PHE QE . . 4.580 4.428 4.118 4.590 0.010 11 0 "[ . 1 . 2]" 2
167 1 59 GLN H 1 59 GLN HG2 . . 5.030 4.341 4.189 4.487 . 0 0 "[ . 1 . 2]" 2
168 1 59 GLN H 1 72 LEU MD2 . . 4.680 4.542 4.317 4.670 . 0 0 "[ . 1 . 2]" 2
169 1 25 LEU HB3 1 26 TYR H . . 4.810 2.645 2.117 3.090 . 0 0 "[ . 1 . 2]" 2
170 1 44 ARG H 1 51 THR HA . . 5.430 5.084 4.622 5.297 . 0 0 "[ . 1 . 2]" 2
171 1 43 PHE HB3 1 44 ARG H . . 4.580 4.335 4.269 4.408 . 0 0 "[ . 1 . 2]" 2
172 1 43 PHE QD 1 44 ARG H . . 4.110 3.880 3.464 4.104 . 0 0 "[ . 1 . 2]" 2
173 1 43 PHE QE 1 44 ARG H . . 5.260 5.246 5.100 5.284 0.024 20 0 "[ . 1 . 2]" 2
174 1 43 PHE HA 1 44 ARG H . . 3.100 2.203 2.164 2.295 . 0 0 "[ . 1 . 2]" 2
175 1 43 PHE HB2 1 44 ARG H . . 4.640 4.582 4.523 4.654 0.014 20 0 "[ . 1 . 2]" 2
176 1 26 TYR H 1 29 GLU H . . 5.500 3.804 3.222 4.279 . 0 0 "[ . 1 . 2]" 2
177 1 26 TYR H 1 26 TYR QD . . 4.670 4.306 4.162 4.420 . 0 0 "[ . 1 . 2]" 2
178 1 26 TYR H 1 29 GLU HB3 . . 5.150 3.838 3.400 4.175 . 0 0 "[ . 1 . 2]" 2
179 1 25 LEU HB2 1 26 TYR H . . 4.780 3.867 3.516 4.236 . 0 0 "[ . 1 . 2]" 2
180 1 25 LEU MD1 1 26 TYR H . . 4.900 4.678 4.339 4.907 0.007 7 0 "[ . 1 . 2]" 2
181 1 25 LEU MD2 1 26 TYR H . . 5.010 3.102 2.704 3.615 . 0 0 "[ . 1 . 2]" 2
182 1 42 CYS HB3 1 44 ARG H . . 5.500 5.129 4.780 5.453 . 0 0 "[ . 1 . 2]" 2
183 1 44 ARG H 1 52 LEU H . . 4.730 4.452 4.161 4.688 . 0 0 "[ . 1 . 2]" 2
184 1 42 CYS HA 1 44 ARG H . . 5.250 4.950 4.532 5.188 . 0 0 "[ . 1 . 2]" 2
185 1 44 ARG H 1 52 LEU HG . . 4.910 4.051 3.819 4.318 . 0 0 "[ . 1 . 2]" 2
186 1 44 ARG H 1 52 LEU HB2 . . 5.500 4.773 4.584 5.062 . 0 0 "[ . 1 . 2]" 2
187 1 44 ARG H 1 52 LEU MD2 . . 5.500 5.300 5.124 5.514 0.014 15 0 "[ . 1 . 2]" 2
188 1 18 CYS H 1 19 ALA H . . 4.680 4.607 4.446 4.650 . 0 0 "[ . 1 . 2]" 2
189 1 18 CYS H 1 39 HIS H . . 5.500 5.528 5.432 5.598 0.098 13 0 "[ . 1 . 2]" 2
190 1 18 CYS H 1 39 HIS HE1 . . 4.640 4.063 3.317 4.668 0.028 20 0 "[ . 1 . 2]" 2
191 1 17 LEU HA 1 18 CYS H . . 2.950 2.178 2.160 2.196 . 0 0 "[ . 1 . 2]" 2
192 1 18 CYS H 1 18 CYS HB3 . . 3.130 2.666 2.393 2.859 . 0 0 "[ . 1 . 2]" 2
193 1 18 CYS H 1 37 PHE HB2 . . 5.500 5.180 4.908 5.476 . 0 0 "[ . 1 . 2]" 2
194 1 18 CYS H 1 18 CYS HB2 . . 3.250 2.481 2.350 2.755 . 0 0 "[ . 1 . 2]" 2
195 1 17 LEU HB2 1 18 CYS H . . 4.010 3.887 3.792 4.010 0.000 16 0 "[ . 1 . 2]" 2
196 1 18 CYS H 1 25 LEU HB2 . . 4.690 4.296 3.950 4.473 . 0 0 "[ . 1 . 2]" 2
197 1 17 LEU HB3 1 18 CYS H . . 3.400 3.154 3.082 3.271 . 0 0 "[ . 1 . 2]" 2
198 1 18 CYS H 1 25 LEU MD1 . . 4.290 2.678 2.427 2.970 . 0 0 "[ . 1 . 2]" 2
199 1 18 CYS H 1 25 LEU MD2 . . 3.970 2.776 2.366 3.186 . 0 0 "[ . 1 . 2]" 2
200 1 38 PHE HB3 1 43 PHE H . . 4.770 3.664 3.269 4.036 . 0 0 "[ . 1 . 2]" 2
201 1 43 PHE H 1 43 PHE QD . . 4.340 4.043 3.915 4.178 . 0 0 "[ . 1 . 2]" 2
202 1 40 ARG HA 1 43 PHE H . . 4.280 4.216 3.980 4.338 0.058 16 0 "[ . 1 . 2]" 2
203 1 39 HIS HB2 1 43 PHE H . . 4.400 3.745 3.596 3.864 . 0 0 "[ . 1 . 2]" 2
204 1 39 HIS HB3 1 43 PHE H . . 4.800 4.517 4.063 4.782 . 0 0 "[ . 1 . 2]" 2
205 1 42 CYS HB3 1 43 PHE H . . 4.260 3.354 2.983 3.779 . 0 0 "[ . 1 . 2]" 2
206 1 42 CYS HB2 1 43 PHE H . . 3.960 2.532 2.339 2.848 . 0 0 "[ . 1 . 2]" 2
207 1 43 PHE H 1 43 PHE HB3 . . 3.370 2.802 2.608 2.905 . 0 0 "[ . 1 . 2]" 2
208 1 43 PHE H 1 43 PHE HB2 . . 3.350 2.303 2.216 2.499 . 0 0 "[ . 1 . 2]" 2
209 1 20 LEU HB2 1 43 PHE H . . 5.360 5.121 4.720 5.396 0.036 16 0 "[ . 1 . 2]" 2
210 1 20 LEU MD2 1 43 PHE H . . 5.320 4.361 3.672 5.247 . 0 0 "[ . 1 . 2]" 2
211 1 43 PHE H 1 51 THR MG . . 5.500 5.399 4.925 5.517 0.017 17 0 "[ . 1 . 2]" 2
212 1 20 LEU MD1 1 43 PHE H . . 5.320 3.866 2.709 5.336 0.016 2 0 "[ . 1 . 2]" 2
213 1 31 LEU MD1 1 43 PHE H . . 5.490 4.531 3.216 5.336 . 0 0 "[ . 1 . 2]" 2
214 1 31 LEU MD2 1 43 PHE H . . 5.490 4.486 3.965 5.517 0.027 15 0 "[ . 1 . 2]" 2
215 1 10 GLN QG 1 11 GLU H . . 5.180 3.553 1.949 4.778 . 0 0 "[ . 1 . 2]" 2
216 1 45 CYS H 1 47 THR H . . 5.310 5.188 5.065 5.327 0.017 18 0 "[ . 1 . 2]" 2
217 1 45 CYS H 1 46 HIS H . . 4.740 4.636 4.623 4.646 . 0 0 "[ . 1 . 2]" 2
218 1 45 CYS H 1 49 GLU H . . 4.150 3.932 3.854 4.154 0.004 18 0 "[ . 1 . 2]" 2
219 1 45 CYS H 1 52 LEU H . . 4.410 3.856 3.733 4.001 . 0 0 "[ . 1 . 2]" 2
220 1 45 CYS H 1 50 ALA HA . . 4.720 4.024 3.969 4.195 . 0 0 "[ . 1 . 2]" 2
221 1 45 CYS H 1 45 CYS HB3 . . 3.320 2.680 2.634 2.770 . 0 0 "[ . 1 . 2]" 2
222 1 44 ARG HD3 1 45 CYS H . . 4.910 4.714 4.469 4.912 0.002 17 0 "[ . 1 . 2]" 2
223 1 45 CYS H 1 50 ALA MB . . 4.070 3.370 3.249 3.511 . 0 0 "[ . 1 . 2]" 2
224 1 45 CYS H 1 52 LEU HG . . 3.690 2.603 2.404 2.772 . 0 0 "[ . 1 . 2]" 2
225 1 45 CYS H 1 52 LEU MD2 . . 3.510 2.782 2.600 2.909 . 0 0 "[ . 1 . 2]" 2
226 1 45 CYS H 1 48 CYS H . . 4.970 4.920 4.794 5.015 0.045 18 0 "[ . 1 . 2]" 2
227 1 44 ARG H 1 45 CYS H . . 4.750 4.409 4.372 4.440 . 0 0 "[ . 1 . 2]" 2
228 1 45 CYS H 1 67 TYR HA . . 5.500 5.478 5.192 5.549 0.049 19 0 "[ . 1 . 2]" 2
229 1 45 CYS H 1 51 THR HA . . 4.650 4.446 4.067 4.538 . 0 0 "[ . 1 . 2]" 2
230 1 45 CYS H 1 45 CYS HB2 . . 3.280 2.385 2.325 2.423 . 0 0 "[ . 1 . 2]" 2
231 1 35 GLY H 1 36 HIS H . . 4.260 2.946 2.668 3.068 . 0 0 "[ . 1 . 2]" 2
232 1 34 ASN HB3 1 35 GLY H . . 5.000 4.425 4.345 4.501 . 0 0 "[ . 1 . 2]" 2
233 1 34 ASN HB2 1 35 GLY H . . 5.260 4.157 4.038 4.369 . 0 0 "[ . 1 . 2]" 2
234 1 64 GLY H 1 65 HIS H . . 3.460 2.042 1.890 2.204 . 0 0 "[ . 1 . 2]" 2
235 1 59 GLN HE21 1 65 HIS H . . 4.750 4.203 3.969 4.636 . 0 0 "[ . 1 . 2]" 2
236 1 65 HIS H 1 67 TYR QD . . 5.150 4.431 4.056 4.525 . 0 0 "[ . 1 . 2]" 2
237 1 65 HIS H 1 65 HIS HD2 . . 4.300 3.522 2.617 4.179 . 0 0 "[ . 1 . 2]" 2
238 1 60 HIS HB3 1 65 HIS H . . 3.960 3.384 3.132 3.569 . 0 0 "[ . 1 . 2]" 2
239 1 65 HIS H 1 65 HIS HB3 . . 3.900 3.715 3.606 3.813 . 0 0 "[ . 1 . 2]" 2
240 1 65 HIS H 1 65 HIS HB2 . . 3.570 2.558 2.416 2.715 . 0 0 "[ . 1 . 2]" 2
241 1 65 HIS H 1 72 LEU MD1 . . 5.500 5.477 5.297 5.551 0.051 3 0 "[ . 1 . 2]" 2
242 1 26 TYR HB2 1 27 VAL H . . 4.850 3.890 3.683 4.309 . 0 0 "[ . 1 . 2]" 2
243 1 27 VAL H 1 27 VAL MG1 . . 4.600 2.888 2.013 3.784 . 0 0 "[ . 1 . 2]" 2
244 1 27 VAL H 1 27 VAL MG2 . . 4.600 2.388 1.852 3.764 . 0 0 "[ . 1 . 2]" 2
245 1 53 TRP H 1 54 PRO HD2 . . 5.210 4.761 4.749 4.776 . 0 0 "[ . 1 . 2]" 2
246 1 53 TRP H 1 54 PRO HD3 . . 5.210 5.052 5.027 5.070 . 0 0 "[ . 1 . 2]" 2
247 1 53 TRP H 1 56 GLY H . . 4.970 4.603 4.296 5.042 0.072 13 0 "[ . 1 . 2]" 2
248 1 53 TRP H 1 53 TRP HD1 . . 4.100 2.221 2.055 2.498 . 0 0 "[ . 1 . 2]" 2
249 1 53 TRP H 1 57 TYR QD . . 4.680 4.754 4.665 4.794 0.114 19 0 "[ . 1 . 2]" 2
250 1 52 LEU HA 1 53 TRP H . . 3.240 2.206 2.158 2.256 . 0 0 "[ . 1 . 2]" 2
251 1 53 TRP H 1 53 TRP HB3 . . 3.930 3.561 3.524 3.588 . 0 0 "[ . 1 . 2]" 2
252 1 53 TRP H 1 53 TRP HB2 . . 3.680 2.810 2.701 2.916 . 0 0 "[ . 1 . 2]" 2
253 1 52 LEU MD2 1 53 TRP H . . 3.940 3.821 3.632 3.892 . 0 0 "[ . 1 . 2]" 2
254 1 52 LEU HB3 1 53 TRP H . . 4.250 3.884 3.708 4.006 . 0 0 "[ . 1 . 2]" 2
255 1 67 TYR H 1 68 CYS H . . 4.820 4.455 4.440 4.466 . 0 0 "[ . 1 . 2]" 2
256 1 45 CYS H 1 68 CYS H . . 5.500 5.507 5.339 5.549 0.049 13 0 "[ . 1 . 2]" 2
257 1 68 CYS H 1 70 GLN H . . 5.500 4.228 4.202 4.276 . 0 0 "[ . 1 . 2]" 2
258 1 68 CYS H 1 71 HIS H . . 4.250 3.836 3.755 3.943 . 0 0 "[ . 1 . 2]" 2
259 1 67 TYR QD 1 68 CYS H . . 4.350 4.070 3.930 4.166 . 0 0 "[ . 1 . 2]" 2
260 1 67 TYR HA 1 68 CYS H . . 3.220 2.387 2.346 2.415 . 0 0 "[ . 1 . 2]" 2
261 1 45 CYS HA 1 68 CYS H . . 3.890 3.635 3.517 3.681 . 0 0 "[ . 1 . 2]" 2
262 1 47 THR HB 1 68 CYS H . . 5.010 4.829 4.714 4.971 . 0 0 "[ . 1 . 2]" 2
263 1 68 CYS H 1 71 HIS HB3 . . 4.640 4.370 4.243 4.548 . 0 0 "[ . 1 . 2]" 2
264 1 67 TYR HB3 1 68 CYS H . . 3.410 2.513 2.460 2.604 . 0 0 "[ . 1 . 2]" 2
265 1 68 CYS H 1 71 HIS HB2 . . 4.120 3.016 2.935 3.160 . 0 0 "[ . 1 . 2]" 2
266 1 68 CYS H 1 68 CYS HB3 . . 3.430 2.569 2.530 2.601 . 0 0 "[ . 1 . 2]" 2
267 1 67 TYR HB2 1 68 CYS H . . 4.080 3.502 3.424 3.578 . 0 0 "[ . 1 . 2]" 2
268 1 46 HIS HB3 1 68 CYS H . . 5.500 5.520 5.503 5.545 0.045 11 0 "[ . 1 . 2]" 2
269 1 50 ALA MB 1 68 CYS H . . 5.440 5.418 5.317 5.462 0.022 11 0 "[ . 1 . 2]" 2
270 1 68 CYS H 1 72 LEU MD1 . . 5.110 4.671 4.494 4.803 . 0 0 "[ . 1 . 2]" 2
271 1 52 LEU MD2 1 68 CYS H . . 3.740 3.188 3.013 3.289 . 0 0 "[ . 1 . 2]" 2
272 1 53 TRP H 1 53 TRP HE3 . . 5.140 4.779 4.658 4.894 . 0 0 "[ . 1 . 2]" 2
273 1 52 LEU H 1 53 TRP H . . 4.940 4.221 4.129 4.348 . 0 0 "[ . 1 . 2]" 2
274 1 73 PRO HA 1 74 GLN H . . 2.740 2.560 2.456 2.666 . 0 0 "[ . 1 . 2]" 2
275 1 73 PRO HD2 1 74 GLN H . . 5.500 5.445 5.336 5.540 0.040 12 0 "[ . 1 . 2]" 2
276 1 74 GLN H 1 74 GLN QG . . 3.970 3.748 3.625 3.975 0.005 15 0 "[ . 1 . 2]" 2
277 1 74 GLN H 1 74 GLN HB3 . . 3.860 3.755 3.665 3.856 . 0 0 "[ . 1 . 2]" 2
278 1 74 GLN H 1 74 GLN HB2 . . 3.200 2.792 2.641 2.881 . 0 0 "[ . 1 . 2]" 2
279 1 73 PRO HB2 1 74 GLN H . . 3.600 2.243 2.017 2.479 . 0 0 "[ . 1 . 2]" 2
280 1 30 ARG H 1 30 ARG QD . . 4.950 4.111 3.425 4.796 . 0 0 "[ . 1 . 2]" 2
281 1 30 ARG H 1 30 ARG HG3 . . 4.830 3.713 3.426 4.088 . 0 0 "[ . 1 . 2]" 2
282 1 29 GLU HB3 1 30 ARG H . . 4.830 3.956 3.389 4.507 . 0 0 "[ . 1 . 2]" 2
283 1 29 GLU HB2 1 30 ARG H . . 4.980 3.157 2.191 4.351 . 0 0 "[ . 1 . 2]" 2
284 1 39 HIS H 1 43 PHE H . . 4.700 3.816 3.690 4.217 . 0 0 "[ . 1 . 2]" 2
285 1 38 PHE HA 1 39 HIS H . . 3.160 2.349 2.239 2.475 . 0 0 "[ . 1 . 2]" 2
286 1 39 HIS H 1 39 HIS HB2 . . 3.650 2.311 2.220 2.422 . 0 0 "[ . 1 . 2]" 2
287 1 39 HIS H 1 39 HIS HB3 . . 3.760 3.561 3.515 3.596 . 0 0 "[ . 1 . 2]" 2
288 1 38 PHE HB3 1 39 HIS H . . 3.640 2.625 2.346 2.900 . 0 0 "[ . 1 . 2]" 2
289 1 39 HIS H 1 42 CYS HB2 . . 3.720 2.665 2.509 2.843 . 0 0 "[ . 1 . 2]" 2
290 1 25 LEU MD1 1 39 HIS H . . 5.100 4.948 4.746 5.114 0.014 16 0 "[ . 1 . 2]" 2
291 1 25 LEU MD2 1 39 HIS H . . 3.960 3.339 3.178 3.515 . 0 0 "[ . 1 . 2]" 2
292 1 19 ALA H 1 39 HIS H . . 4.590 4.268 3.913 4.509 . 0 0 "[ . 1 . 2]" 2
293 1 39 HIS H 1 42 CYS H . . 4.390 4.146 3.910 4.296 . 0 0 "[ . 1 . 2]" 2
294 1 38 PHE QD 1 39 HIS H . . 4.400 4.134 3.798 4.362 . 0 0 "[ . 1 . 2]" 2
295 1 18 CYS HA 1 39 HIS H . . 4.150 3.907 3.694 4.076 . 0 0 "[ . 1 . 2]" 2
296 1 18 CYS HB3 1 39 HIS H . . 4.890 4.467 4.206 4.735 . 0 0 "[ . 1 . 2]" 2
297 1 39 HIS H 1 43 PHE HB2 . . 4.360 4.292 3.849 4.402 0.042 8 0 "[ . 1 . 2]" 2
298 1 20 LEU H 1 20 LEU MD2 . . 4.340 3.798 2.251 4.435 0.095 11 0 "[ . 1 . 2]" 2
299 1 20 LEU H 1 20 LEU MD1 . . 4.340 3.164 2.171 4.150 . 0 0 "[ . 1 . 2]" 2
300 1 20 LEU H 1 38 PHE QE . . 4.660 4.154 3.593 4.695 0.035 15 0 "[ . 1 . 2]" 2
301 1 20 LEU H 1 38 PHE QD . . 4.050 2.939 2.537 3.570 . 0 0 "[ . 1 . 2]" 2
302 1 18 CYS HB3 1 20 LEU H . . 4.850 3.955 3.192 4.578 . 0 0 "[ . 1 . 2]" 2
303 1 20 LEU H 1 42 CYS HB3 . . 5.220 4.418 3.926 4.938 . 0 0 "[ . 1 . 2]" 2
304 1 20 LEU H 1 38 PHE HB3 . . 5.010 4.205 3.500 5.055 0.045 12 0 "[ . 1 . 2]" 2
305 1 20 LEU H 1 42 CYS HB2 . . 5.010 4.823 4.448 5.066 0.056 15 0 "[ . 1 . 2]" 2
306 1 18 CYS HB2 1 20 LEU H . . 5.000 4.534 4.203 4.725 . 0 0 "[ . 1 . 2]" 2
307 1 20 LEU H 1 20 LEU HB3 . . 3.650 3.483 3.424 3.554 . 0 0 "[ . 1 . 2]" 2
308 1 20 LEU H 1 20 LEU HB2 . . 3.320 2.196 2.104 2.411 . 0 0 "[ . 1 . 2]" 2
309 1 20 LEU H 1 20 LEU HG . . 4.050 3.760 3.384 4.063 0.013 4 0 "[ . 1 . 2]" 2
310 1 19 ALA MB 1 20 LEU H . . 3.690 2.939 2.446 3.534 . 0 0 "[ . 1 . 2]" 2
311 1 36 HIS H 1 37 PHE HA . . 5.360 5.281 4.840 5.362 0.002 3 0 "[ . 1 . 2]" 2
312 1 33 VAL HB 1 36 HIS H . . 5.450 4.455 4.215 4.690 . 0 0 "[ . 1 . 2]" 2
313 1 32 CYS HA 1 36 HIS H . . 5.280 5.076 4.106 5.290 0.010 13 0 "[ . 1 . 2]" 2
314 1 33 VAL MG1 1 36 HIS H . . 5.190 4.675 4.293 5.179 . 0 0 "[ . 1 . 2]" 2
315 1 33 VAL MG2 1 36 HIS H . . 5.500 5.408 4.783 5.516 0.016 20 0 "[ . 1 . 2]" 2
316 1 33 VAL H 1 37 PHE H . . 5.050 4.776 4.489 5.001 . 0 0 "[ . 1 . 2]" 2
317 1 37 PHE H 1 37 PHE QD . . 3.710 2.767 1.915 3.455 . 0 0 "[ . 1 . 2]" 2
318 1 32 CYS HA 1 37 PHE H . . 5.220 5.050 4.613 5.240 0.020 7 0 "[ . 1 . 2]" 2
319 1 36 HIS HA 1 37 PHE H . . 2.970 2.281 2.160 2.545 . 0 0 "[ . 1 . 2]" 2
320 1 36 HIS HB2 1 37 PHE H . . 4.070 3.797 3.097 4.101 0.031 6 0 "[ . 1 . 2]" 2
321 1 37 PHE H 1 37 PHE HB2 . . 3.360 2.534 2.411 2.696 . 0 0 "[ . 1 . 2]" 2
322 1 36 HIS HB3 1 37 PHE H . . 3.470 2.822 2.205 3.260 . 0 0 "[ . 1 . 2]" 2
323 1 19 ALA MB 1 37 PHE H . . 4.240 3.857 3.486 4.200 . 0 0 "[ . 1 . 2]" 2
324 1 25 LEU MD1 1 37 PHE H . . 4.900 3.791 3.486 4.097 . 0 0 "[ . 1 . 2]" 2
325 1 25 LEU MD2 1 37 PHE H . . 5.500 5.313 5.062 5.486 . 0 0 "[ . 1 . 2]" 2
326 1 48 CYS H 1 68 CYS H . . 5.320 5.150 5.062 5.227 . 0 0 "[ . 1 . 2]" 2
327 1 46 HIS H 1 48 CYS H . . 5.010 3.774 3.601 3.962 . 0 0 "[ . 1 . 2]" 2
328 1 47 THR H 1 48 CYS H . . 3.120 1.935 1.877 2.000 . 0 0 "[ . 1 . 2]" 2
329 1 48 CYS H 1 67 TYR QD . . 5.320 5.197 5.061 5.280 . 0 0 "[ . 1 . 2]" 2
330 1 47 THR HB 1 48 CYS H . . 2.970 2.825 2.644 2.979 0.009 3 0 "[ . 1 . 2]" 2
331 1 45 CYS HB3 1 48 CYS H . . 3.520 2.286 2.205 2.348 . 0 0 "[ . 1 . 2]" 2
332 1 48 CYS H 1 71 HIS HB2 . . 5.090 4.877 4.675 5.041 . 0 0 "[ . 1 . 2]" 2
333 1 45 CYS HB2 1 48 CYS H . . 3.820 3.726 3.672 3.771 . 0 0 "[ . 1 . 2]" 2
334 1 48 CYS H 1 48 CYS HB3 . . 3.570 3.098 2.973 3.175 . 0 0 "[ . 1 . 2]" 2
335 1 48 CYS H 1 49 GLU QG . . 4.360 4.146 3.885 4.391 0.031 3 0 "[ . 1 . 2]" 2
336 1 48 CYS H 1 50 ALA MB . . 4.700 4.595 4.536 4.647 . 0 0 "[ . 1 . 2]" 2
337 1 47 THR MG 1 48 CYS H . . 3.390 3.282 3.133 3.415 0.025 8 0 "[ . 1 . 2]" 2
338 1 48 CYS H 1 71 HIS HB3 . . 5.430 5.278 5.071 5.416 . 0 0 "[ . 1 . 2]" 2
339 1 48 CYS H 1 52 LEU MD2 . . 5.500 5.454 5.279 5.552 0.052 11 0 "[ . 1 . 2]" 2
340 1 17 LEU H 1 25 LEU MD1 . . 4.740 2.829 2.676 3.048 . 0 0 "[ . 1 . 2]" 2
341 1 16 ASP HA 1 17 LEU H . . 3.110 2.698 2.367 2.849 . 0 0 "[ . 1 . 2]" 2
342 1 15 GLY QA 1 17 LEU H . . 5.010 3.506 3.185 4.107 . 0 0 "[ . 1 . 2]" 2
343 1 16 ASP QB 1 17 LEU H . . 4.040 3.921 3.841 4.038 . 0 0 "[ . 1 . 2]" 2
344 1 17 LEU H 1 17 LEU HG . . 3.240 2.656 2.498 2.825 . 0 0 "[ . 1 . 2]" 2
345 1 17 LEU H 1 17 LEU HB3 . . 4.030 3.851 3.816 3.911 . 0 0 "[ . 1 . 2]" 2
346 1 17 LEU H 1 17 LEU MD1 . . 4.100 3.897 3.651 4.053 . 0 0 "[ . 1 . 2]" 2
347 1 17 LEU H 1 17 LEU MD2 . . 4.300 3.632 3.343 3.921 . 0 0 "[ . 1 . 2]" 2
348 1 17 LEU H 1 25 LEU MD2 . . 5.500 5.362 5.154 5.523 0.023 12 0 "[ . 1 . 2]" 2
349 1 36 HIS H 1 37 PHE H . . 4.620 4.573 4.462 4.614 . 0 0 "[ . 1 . 2]" 2
350 1 36 HIS H 1 36 HIS HD2 . . 4.430 3.510 2.979 4.201 . 0 0 "[ . 1 . 2]" 2
351 1 36 HIS H 1 38 PHE QE . . 4.610 3.881 3.519 4.555 . 0 0 "[ . 1 . 2]" 2
352 1 33 VAL HA 1 36 HIS H . . 5.120 5.008 4.207 5.130 0.010 15 0 "[ . 1 . 2]" 2
353 1 34 ASN HB3 1 36 HIS H . . 4.730 4.166 3.751 4.555 . 0 0 "[ . 1 . 2]" 2
354 1 36 HIS H 1 36 HIS HB2 . . 3.290 2.568 2.382 2.702 . 0 0 "[ . 1 . 2]" 2
355 1 36 HIS H 1 36 HIS HB3 . . 4.020 3.633 3.601 3.807 . 0 0 "[ . 1 . 2]" 2
356 1 27 VAL H 1 28 LEU H . . 4.560 2.712 2.423 3.126 . 0 0 "[ . 1 . 2]" 2
357 1 28 LEU H 1 29 GLU H . . 4.240 2.401 1.915 2.865 . 0 0 "[ . 1 . 2]" 2
358 1 27 VAL HB 1 28 LEU H . . 4.480 3.357 2.127 4.264 . 0 0 "[ . 1 . 2]" 2
359 1 28 LEU H 1 29 GLU HB2 . . 5.040 4.438 3.981 4.924 . 0 0 "[ . 1 . 2]" 2
360 1 28 LEU H 1 28 LEU HB2 . . 3.900 2.445 2.210 2.658 . 0 0 "[ . 1 . 2]" 2
361 1 28 LEU H 1 28 LEU HB3 . . 3.900 3.647 3.512 3.766 . 0 0 "[ . 1 . 2]" 2
362 1 28 LEU H 1 28 LEU HG . . 4.100 3.048 2.364 3.622 . 0 0 "[ . 1 . 2]" 2
363 1 17 LEU HA 1 23 GLU H . . 5.250 4.689 4.493 5.014 . 0 0 "[ . 1 . 2]" 2
364 1 23 GLU H 1 39 HIS HE1 . . 3.860 2.969 1.884 3.857 . 0 0 "[ . 1 . 2]" 2
365 1 21 CYS HA 1 23 GLU H . . 5.500 5.283 5.028 5.407 . 0 0 "[ . 1 . 2]" 2
366 1 18 CYS HB3 1 23 GLU H . . 3.710 2.268 2.037 2.613 . 0 0 "[ . 1 . 2]" 2
367 1 23 GLU H 1 23 GLU HB3 . . 3.970 3.674 3.522 3.774 . 0 0 "[ . 1 . 2]" 2
368 1 17 LEU HB3 1 23 GLU H . . 4.980 3.713 3.363 3.941 . 0 0 "[ . 1 . 2]" 2
369 1 18 CYS HA 1 23 GLU H . . 5.260 4.926 4.654 5.315 0.055 16 0 "[ . 1 . 2]" 2
370 1 17 LEU MD2 1 23 GLU H . . 5.380 4.865 4.381 5.245 . 0 0 "[ . 1 . 2]" 2
371 1 17 LEU HA 1 24 HIS H . . 5.410 4.855 4.117 5.234 . 0 0 "[ . 1 . 2]" 2
372 1 18 CYS H 1 24 HIS H . . 5.240 4.852 3.399 5.259 0.019 18 0 "[ . 1 . 2]" 2
373 1 24 HIS H 1 39 HIS HE1 . . 4.850 4.208 2.360 4.886 0.036 6 0 "[ . 1 . 2]" 2
374 1 24 HIS H 1 24 HIS HB2 . . 3.320 2.429 2.161 3.305 . 0 0 "[ . 1 . 2]" 2
375 1 24 HIS H 1 24 HIS HB3 . . 3.320 2.980 2.757 3.361 0.041 16 0 "[ . 1 . 2]" 2
376 1 23 GLU HB2 1 24 HIS H . . 3.510 3.127 2.116 3.492 . 0 0 "[ . 1 . 2]" 2
377 1 23 GLU HB3 1 24 HIS H . . 3.510 2.245 1.949 3.111 . 0 0 "[ . 1 . 2]" 2
378 1 17 LEU MD2 1 24 HIS H . . 4.170 3.614 3.141 4.277 0.107 9 0 "[ . 1 . 2]" 2
379 1 66 PHE H 1 66 PHE QD . . 3.580 2.884 2.609 3.459 . 0 0 "[ . 1 . 2]" 2
380 1 65 HIS HA 1 66 PHE H . . 3.170 2.617 2.500 2.666 . 0 0 "[ . 1 . 2]" 2
381 1 65 HIS HB3 1 66 PHE H . . 3.540 2.010 1.913 2.241 . 0 0 "[ . 1 . 2]" 2
382 1 66 PHE H 1 66 PHE HB2 . . 3.520 2.496 2.402 2.555 . 0 0 "[ . 1 . 2]" 2
383 1 65 HIS HB2 1 66 PHE H . . 3.820 3.346 3.060 3.682 . 0 0 "[ . 1 . 2]" 2
384 1 66 PHE H 1 66 PHE HB3 . . 4.150 3.692 3.629 3.727 . 0 0 "[ . 1 . 2]" 2
385 1 57 TYR QE 1 58 GLU H . . 5.170 4.923 4.665 5.139 . 0 0 "[ . 1 . 2]" 2
386 1 58 GLU H 1 72 LEU MD2 . . 4.580 4.315 4.090 4.462 . 0 0 "[ . 1 . 2]" 2
387 1 40 ARG H 1 42 CYS H . . 5.240 4.438 4.161 4.741 . 0 0 "[ . 1 . 2]" 2
388 1 41 SER H 1 42 CYS H . . 4.850 2.351 2.099 2.614 . 0 0 "[ . 1 . 2]" 2
389 1 42 CYS H 1 43 PHE H . . 3.120 2.813 2.630 3.000 . 0 0 "[ . 1 . 2]" 2
390 1 39 HIS HA 1 42 CYS H . . 4.720 4.550 4.324 4.745 0.025 11 0 "[ . 1 . 2]" 2
391 1 41 SER HB2 1 42 CYS H . . 4.640 3.288 2.311 3.944 . 0 0 "[ . 1 . 2]" 2
392 1 41 SER HB3 1 42 CYS H . . 4.640 3.061 2.304 4.062 . 0 0 "[ . 1 . 2]" 2
393 1 39 HIS HB2 1 42 CYS H . . 3.390 2.421 2.241 2.589 . 0 0 "[ . 1 . 2]" 2
394 1 39 HIS HB3 1 42 CYS H . . 3.440 2.696 2.390 3.008 . 0 0 "[ . 1 . 2]" 2
395 1 42 CYS H 1 42 CYS HB3 . . 3.800 3.569 3.518 3.592 . 0 0 "[ . 1 . 2]" 2
396 1 38 PHE HB3 1 42 CYS H . . 5.500 5.479 5.287 5.566 0.066 4 0 "[ . 1 . 2]" 2
397 1 42 CYS H 1 42 CYS HB2 . . 3.360 2.395 2.223 2.564 . 0 0 "[ . 1 . 2]" 2
398 1 42 CYS H 1 43 PHE HB3 . . 5.400 5.227 4.984 5.409 0.009 19 0 "[ . 1 . 2]" 2
399 1 42 CYS H 1 43 PHE HB2 . . 5.180 4.936 4.751 5.125 . 0 0 "[ . 1 . 2]" 2
400 1 58 GLU H 1 66 PHE QD . . 4.800 4.446 4.147 4.644 . 0 0 "[ . 1 . 2]" 2
401 1 58 GLU H 1 66 PHE HA . . 4.920 4.752 4.643 4.933 0.013 12 0 "[ . 1 . 2]" 2
402 1 57 TYR HB2 1 58 GLU H . . 3.400 2.560 2.301 2.861 . 0 0 "[ . 1 . 2]" 2
403 1 57 TYR HB3 1 58 GLU H . . 4.150 3.929 3.758 4.120 . 0 0 "[ . 1 . 2]" 2
404 1 58 GLU H 1 58 GLU QG . . 4.060 3.619 3.318 3.821 . 0 0 "[ . 1 . 2]" 2
405 1 58 GLU H 1 58 GLU HB2 . . 4.110 2.823 2.716 2.913 . 0 0 "[ . 1 . 2]" 2
406 1 58 GLU H 1 58 GLU HB3 . . 4.110 3.800 3.729 3.923 . 0 0 "[ . 1 . 2]" 2
407 1 58 GLU H 1 69 LEU HG . . 5.500 4.758 4.461 5.068 . 0 0 "[ . 1 . 2]" 2
408 1 58 GLU H 1 72 LEU MD1 . . 4.440 3.257 3.092 3.390 . 0 0 "[ . 1 . 2]" 2
409 1 57 TYR H 1 58 GLU H . . 4.410 4.372 4.334 4.391 . 0 0 "[ . 1 . 2]" 2
410 1 57 TYR QD 1 58 GLU H . . 3.690 2.968 2.772 3.241 . 0 0 "[ . 1 . 2]" 2
411 1 57 TYR HA 1 58 GLU H . . 3.220 2.419 2.303 2.516 . 0 0 "[ . 1 . 2]" 2
412 1 58 GLU H 1 68 CYS HA . . 4.380 3.679 3.559 3.741 . 0 0 "[ . 1 . 2]" 2
413 1 58 GLU H 1 69 LEU HA . . 5.340 4.969 4.747 5.154 . 0 0 "[ . 1 . 2]" 2
414 1 52 LEU MD2 1 58 GLU H . . 4.330 3.959 3.765 4.089 . 0 0 "[ . 1 . 2]" 2
415 1 57 TYR QD 1 67 TYR H . . 4.840 4.159 3.716 4.373 . 0 0 "[ . 1 . 2]" 2
416 1 57 TYR HB2 1 67 TYR H . . 5.500 4.633 4.374 4.957 . 0 0 "[ . 1 . 2]" 2
417 1 60 HIS HB2 1 67 TYR H . . 5.500 4.818 4.523 5.011 . 0 0 "[ . 1 . 2]" 2
418 1 67 TYR H 1 72 LEU HB2 . . 4.690 4.468 4.291 4.655 . 0 0 "[ . 1 . 2]" 2
419 1 59 GLN H 1 67 TYR H . . 5.080 4.974 4.822 5.101 0.021 5 0 "[ . 1 . 2]" 2
420 1 58 GLU H 1 67 TYR H . . 3.920 3.497 3.357 3.649 . 0 0 "[ . 1 . 2]" 2
421 1 66 PHE H 1 67 TYR H . . 4.470 4.345 4.280 4.402 . 0 0 "[ . 1 . 2]" 2
422 1 67 TYR H 1 67 TYR QD . . 3.510 2.614 2.394 2.982 . 0 0 "[ . 1 . 2]" 2
423 1 66 PHE HA 1 67 TYR H . . 3.090 2.143 2.139 2.148 . 0 0 "[ . 1 . 2]" 2
424 1 45 CYS HA 1 67 TYR H . . 5.310 5.194 5.041 5.291 . 0 0 "[ . 1 . 2]" 2
425 1 67 TYR H 1 72 LEU HA . . 5.050 4.841 4.709 5.053 0.003 14 0 "[ . 1 . 2]" 2
426 1 67 TYR H 1 67 TYR HB3 . . 3.870 3.849 3.831 3.872 0.002 5 0 "[ . 1 . 2]" 2
427 1 67 TYR H 1 67 TYR HB2 . . 3.540 2.803 2.767 2.835 . 0 0 "[ . 1 . 2]" 2
428 1 66 PHE HB3 1 67 TYR H . . 3.760 3.395 3.329 3.493 . 0 0 "[ . 1 . 2]" 2
429 1 67 TYR H 1 72 LEU MD1 . . 4.170 2.738 2.568 2.951 . 0 0 "[ . 1 . 2]" 2
430 1 52 LEU MD2 1 67 TYR H . . 4.980 4.480 4.196 4.753 . 0 0 "[ . 1 . 2]" 2
431 1 68 CYS HB2 1 69 LEU H . . 3.450 2.304 2.263 2.361 . 0 0 "[ . 1 . 2]" 2
432 1 68 CYS HB3 1 69 LEU H . . 3.850 3.733 3.709 3.766 . 0 0 "[ . 1 . 2]" 2
433 1 57 TYR HB3 1 69 LEU H . . 5.500 5.116 4.945 5.301 . 0 0 "[ . 1 . 2]" 2
434 1 69 LEU H 1 69 LEU MD2 . . 3.750 2.949 2.668 3.090 . 0 0 "[ . 1 . 2]" 2
435 1 57 TYR HA 1 69 LEU H . . 4.030 3.285 3.158 3.405 . 0 0 "[ . 1 . 2]" 2
436 1 68 CYS HA 1 69 LEU H . . 3.290 2.480 2.451 2.503 . 0 0 "[ . 1 . 2]" 2
437 1 69 LEU H 1 69 LEU HB2 . . 3.360 2.623 2.556 2.740 . 0 0 "[ . 1 . 2]" 2
438 1 69 LEU H 1 69 LEU MD1 . . 3.750 3.714 3.594 3.754 0.004 17 0 "[ . 1 . 2]" 2
439 1 52 LEU MD2 1 69 LEU H . . 4.420 4.275 4.124 4.347 . 0 0 "[ . 1 . 2]" 2
440 1 28 LEU HB3 1 29 GLU H . . 4.590 3.828 2.648 4.421 . 0 0 "[ . 1 . 2]" 2
441 1 58 GLU H 1 69 LEU H . . 4.990 4.916 4.698 4.998 0.008 4 0 "[ . 1 . 2]" 2
442 1 51 THR H 1 52 LEU H . . 4.590 4.301 4.238 4.422 . 0 0 "[ . 1 . 2]" 2
443 1 50 ALA HA 1 51 THR H . . 2.690 2.179 2.146 2.248 . 0 0 "[ . 1 . 2]" 2
444 1 51 THR H 1 51 THR HB . . 3.110 2.723 2.626 2.808 . 0 0 "[ . 1 . 2]" 2
445 1 50 ALA MB 1 51 THR H . . 3.050 2.979 2.749 3.135 0.085 18 0 "[ . 1 . 2]" 2
446 1 51 THR H 1 51 THR MG . . 3.910 3.762 3.748 3.778 . 0 0 "[ . 1 . 2]" 2
447 1 28 LEU HB2 1 29 GLU H . . 4.590 3.160 2.164 4.044 . 0 0 "[ . 1 . 2]" 2
448 1 29 GLU H 1 30 ARG H . . 3.970 2.611 1.796 3.573 . 0 0 "[ . 1 . 2]" 2
449 1 29 GLU H 1 29 GLU QG . . 3.770 2.449 1.893 3.032 . 0 0 "[ . 1 . 2]" 2
450 1 29 GLU H 1 29 GLU HB2 . . 4.030 2.718 2.565 2.869 . 0 0 "[ . 1 . 2]" 2
451 1 30 ARG HB2 1 38 PHE H . . 4.900 4.184 3.970 4.485 . 0 0 "[ . 1 . 2]" 2
452 1 21 CYS H 1 38 PHE QD . . 5.500 5.346 4.748 5.544 0.044 18 0 "[ . 1 . 2]" 2
453 1 71 HIS H 1 71 HIS HB3 . . 3.890 3.666 3.630 3.690 . 0 0 "[ . 1 . 2]" 2
454 1 71 HIS H 1 71 HIS HB2 . . 3.270 2.494 2.422 2.534 . 0 0 "[ . 1 . 2]" 2
455 1 67 TYR HB2 1 71 HIS H . . 5.050 4.858 4.777 5.040 . 0 0 "[ . 1 . 2]" 2
456 1 71 HIS H 1 72 LEU HB2 . . 4.190 3.930 3.845 4.015 . 0 0 "[ . 1 . 2]" 2
457 1 37 PHE QD 1 38 PHE H . . 4.220 3.829 3.535 4.228 0.008 6 0 "[ . 1 . 2]" 2
458 1 38 PHE H 1 38 PHE QD . . 4.190 2.626 2.197 3.355 . 0 0 "[ . 1 . 2]" 2
459 1 37 PHE HA 1 38 PHE H . . 3.130 2.241 2.156 2.341 . 0 0 "[ . 1 . 2]" 2
460 1 32 CYS HA 1 38 PHE H . . 4.810 4.595 4.233 4.820 0.010 10 0 "[ . 1 . 2]" 2
461 1 30 ARG HA 1 38 PHE H . . 4.650 3.630 3.366 3.932 . 0 0 "[ . 1 . 2]" 2
462 1 31 LEU HA 1 38 PHE H . . 5.180 4.169 3.910 4.396 . 0 0 "[ . 1 . 2]" 2
463 1 38 PHE H 1 38 PHE HB3 . . 4.090 3.910 3.844 3.953 . 0 0 "[ . 1 . 2]" 2
464 1 37 PHE HB2 1 38 PHE H . . 4.350 3.985 3.773 4.234 . 0 0 "[ . 1 . 2]" 2
465 1 37 PHE HB3 1 38 PHE H . . 3.900 2.890 2.582 3.259 . 0 0 "[ . 1 . 2]" 2
466 1 38 PHE H 1 38 PHE HB2 . . 3.750 2.910 2.754 3.040 . 0 0 "[ . 1 . 2]" 2
467 1 33 VAL HB 1 38 PHE H . . 5.500 5.324 5.060 5.520 0.020 4 0 "[ . 1 . 2]" 2
468 1 31 LEU HB2 1 38 PHE H . . 4.780 2.649 2.074 3.596 . 0 0 "[ . 1 . 2]" 2
469 1 31 LEU HB3 1 38 PHE H . . 4.780 3.506 2.531 4.097 . 0 0 "[ . 1 . 2]" 2
470 1 25 LEU MD1 1 38 PHE H . . 4.820 3.807 3.453 4.227 . 0 0 "[ . 1 . 2]" 2
471 1 25 LEU MD2 1 38 PHE H . . 4.330 3.488 3.059 3.775 . 0 0 "[ . 1 . 2]" 2
472 1 19 ALA H 1 21 CYS H . . 4.860 4.431 4.154 4.641 . 0 0 "[ . 1 . 2]" 2
473 1 20 LEU H 1 21 CYS H . . 3.180 2.719 2.094 3.164 . 0 0 "[ . 1 . 2]" 2
474 1 19 ALA HA 1 21 CYS H . . 5.300 4.960 4.663 5.322 0.022 8 0 "[ . 1 . 2]" 2
475 1 21 CYS H 1 21 CYS HB2 . . 3.690 3.650 3.597 3.691 0.001 13 0 "[ . 1 . 2]" 2
476 1 21 CYS H 1 21 CYS HB3 . . 3.570 2.918 2.781 3.057 . 0 0 "[ . 1 . 2]" 2
477 1 18 CYS HB2 1 21 CYS H . . 4.750 4.408 4.112 4.752 0.002 17 0 "[ . 1 . 2]" 2
478 1 20 LEU HB3 1 21 CYS H . . 3.380 2.786 2.393 3.133 . 0 0 "[ . 1 . 2]" 2
479 1 20 LEU HB2 1 21 CYS H . . 3.560 2.529 2.356 2.682 . 0 0 "[ . 1 . 2]" 2
480 1 20 LEU HG 1 21 CYS H . . 5.060 4.749 4.616 4.864 . 0 0 "[ . 1 . 2]" 2
481 1 19 ALA MB 1 21 CYS H . . 5.280 5.069 4.909 5.244 . 0 0 "[ . 1 . 2]" 2
482 1 20 LEU MD2 1 21 CYS H . . 4.680 4.284 3.970 4.635 . 0 0 "[ . 1 . 2]" 2
483 1 20 LEU MD1 1 21 CYS H . . 4.680 4.263 4.041 4.517 . 0 0 "[ . 1 . 2]" 2
484 1 47 THR H 1 49 GLU H . . 3.860 2.789 2.689 2.894 . 0 0 "[ . 1 . 2]" 2
485 1 47 THR HA 1 49 GLU H . . 4.550 4.368 4.307 4.428 . 0 0 "[ . 1 . 2]" 2
486 1 49 GLU H 1 50 ALA HA . . 5.400 5.339 5.270 5.401 0.001 1 0 "[ . 1 . 2]" 2
487 1 49 GLU H 1 49 GLU HA . . 2.930 2.283 2.276 2.299 . 0 0 "[ . 1 . 2]" 2
488 1 45 CYS HB3 1 49 GLU H . . 3.590 2.043 1.930 2.097 . 0 0 "[ . 1 . 2]" 2
489 1 45 CYS HB2 1 49 GLU H . . 3.840 3.796 3.684 3.851 0.011 14 0 "[ . 1 . 2]" 2
490 1 49 GLU H 1 49 GLU QG . . 3.400 2.723 2.460 3.162 . 0 0 "[ . 1 . 2]" 2
491 1 49 GLU H 1 50 ALA MB . . 4.470 4.407 4.352 4.489 0.019 3 0 "[ . 1 . 2]" 2
492 1 47 THR MG 1 49 GLU H . . 5.040 4.731 4.627 4.806 . 0 0 "[ . 1 . 2]" 2
493 1 49 GLU H 1 52 LEU MD2 . . 5.500 5.404 5.316 5.510 0.010 18 0 "[ . 1 . 2]" 2
494 1 56 GLY H 1 57 TYR H . . 3.180 2.442 2.220 2.918 . 0 0 "[ . 1 . 2]" 2
495 1 57 TYR H 1 57 TYR QD . . 3.370 2.650 2.263 2.905 . 0 0 "[ . 1 . 2]" 2
496 1 57 TYR H 1 57 TYR QE . . 4.990 4.518 4.216 4.727 . 0 0 "[ . 1 . 2]" 2
497 1 57 TYR H 1 68 CYS HA . . 5.500 5.494 5.390 5.538 0.038 19 0 "[ . 1 . 2]" 2
498 1 57 TYR H 1 57 TYR HB2 . . 4.060 4.010 3.984 4.014 . 0 0 "[ . 1 . 2]" 2
499 1 57 TYR H 1 57 TYR HB3 . . 4.060 3.204 3.135 3.298 . 0 0 "[ . 1 . 2]" 2
500 1 57 TYR H 1 58 GLU QG . . 4.860 3.896 3.602 4.070 . 0 0 "[ . 1 . 2]" 2
501 1 57 TYR H 1 69 LEU HG . . 4.500 3.689 3.342 4.079 . 0 0 "[ . 1 . 2]" 2
502 1 57 TYR H 1 69 LEU MD1 . . 4.010 3.124 2.842 3.525 . 0 0 "[ . 1 . 2]" 2
503 1 57 TYR H 1 69 LEU MD2 . . 4.010 2.714 2.528 2.951 . 0 0 "[ . 1 . 2]" 2
504 1 52 LEU MD2 1 57 TYR H . . 5.370 5.247 5.070 5.390 0.020 3 0 "[ . 1 . 2]" 2
505 1 57 TYR H 1 69 LEU H . . 5.500 5.407 5.171 5.517 0.017 2 0 "[ . 1 . 2]" 2
506 1 47 THR H 1 67 TYR QD . . 3.560 3.571 3.421 3.598 0.038 7 0 "[ . 1 . 2]" 2
507 1 47 THR H 1 67 TYR HA . . 4.500 4.461 4.395 4.528 0.028 13 0 "[ . 1 . 2]" 2
508 1 47 THR H 1 47 THR HB . . 2.990 2.539 2.509 2.569 . 0 0 "[ . 1 . 2]" 2
509 1 45 CYS HB3 1 47 THR H . . 4.340 2.979 2.921 3.049 . 0 0 "[ . 1 . 2]" 2
510 1 45 CYS HB2 1 47 THR H . . 4.200 4.134 4.086 4.188 . 0 0 "[ . 1 . 2]" 2
511 1 46 HIS HB3 1 47 THR H . . 3.840 3.528 3.430 3.619 . 0 0 "[ . 1 . 2]" 2
512 1 47 THR H 1 50 ALA H . . 5.170 4.805 4.706 4.901 . 0 0 "[ . 1 . 2]" 2
513 1 47 THR H 1 68 CYS H . . 5.080 4.689 4.655 4.719 . 0 0 "[ . 1 . 2]" 2
514 1 46 HIS HD2 1 47 THR H . . 5.070 4.451 4.140 4.688 . 0 0 "[ . 1 . 2]" 2
515 1 47 THR H 1 71 HIS HB3 . . 5.080 4.829 4.659 4.993 . 0 0 "[ . 1 . 2]" 2
516 1 47 THR H 1 71 HIS HB2 . . 5.010 4.739 4.636 4.821 . 0 0 "[ . 1 . 2]" 2
517 1 47 THR H 1 48 CYS HB3 . . 4.980 4.876 4.755 4.937 . 0 0 "[ . 1 . 2]" 2
518 1 68 CYS HB3 1 70 GLN H . . 4.180 4.069 4.041 4.093 . 0 0 "[ . 1 . 2]" 2
519 1 52 LEU MD2 1 70 GLN H . . 5.500 5.478 5.351 5.543 0.043 19 0 "[ . 1 . 2]" 2
520 1 70 GLN H 1 71 HIS H . . 3.070 1.808 1.780 1.854 . 0 0 "[ . 1 . 2]" 2
521 1 68 CYS HA 1 70 GLN H . . 4.390 3.952 3.922 3.988 . 0 0 "[ . 1 . 2]" 2
522 1 70 GLN H 1 71 HIS HA . . 5.210 4.583 4.563 4.614 . 0 0 "[ . 1 . 2]" 2
523 1 70 GLN H 1 70 GLN HG3 . . 4.770 4.602 4.292 4.747 . 0 0 "[ . 1 . 2]" 2
524 1 69 LEU HB2 1 70 GLN H . . 3.830 3.823 3.785 3.865 0.035 14 0 "[ . 1 . 2]" 2
525 1 70 GLN H 1 70 GLN HB2 . . 3.270 3.128 2.887 3.217 . 0 0 "[ . 1 . 2]" 2
526 1 70 GLN H 1 70 GLN HB3 . . 3.270 2.647 2.571 2.852 . 0 0 "[ . 1 . 2]" 2
527 1 69 LEU MD1 1 70 GLN H . . 5.400 5.416 5.314 5.445 0.045 19 0 "[ . 1 . 2]" 2
528 1 69 LEU MD2 1 70 GLN H . . 5.400 4.383 4.263 4.452 . 0 0 "[ . 1 . 2]" 2
529 1 68 CYS HB2 1 70 GLN H . . 3.980 2.967 2.921 3.012 . 0 0 "[ . 1 . 2]" 2
530 1 70 GLN H 1 71 HIS HB2 . . 4.630 3.884 3.828 3.940 . 0 0 "[ . 1 . 2]" 2
531 1 70 GLN H 1 70 GLN HG2 . . 4.770 4.528 4.350 4.819 0.049 10 0 "[ . 1 . 2]" 2
532 1 19 ALA H 1 20 LEU H . . 3.600 2.323 2.117 2.752 . 0 0 "[ . 1 . 2]" 2
533 1 44 ARG H 1 52 LEU MD1 . . 4.620 3.532 3.236 3.752 . 0 0 "[ . 1 . 2]" 2
534 1 45 CYS H 1 52 LEU MD1 . . 4.050 3.501 3.244 3.675 . 0 0 "[ . 1 . 2]" 2
535 1 46 HIS H 1 52 LEU MD1 . . 4.570 4.104 3.933 4.242 . 0 0 "[ . 1 . 2]" 2
536 1 48 CYS H 1 71 HIS HE1 . . 4.200 3.989 3.834 4.139 . 0 0 "[ . 1 . 2]" 2
537 1 52 LEU H 1 52 LEU MD1 . . 4.180 3.626 3.560 3.712 . 0 0 "[ . 1 . 2]" 2
538 1 52 LEU MD1 1 58 GLU H . . 4.440 4.236 3.932 4.380 . 0 0 "[ . 1 . 2]" 2
539 1 58 GLU H 1 59 GLN H . . 4.530 4.341 4.269 4.404 . 0 0 "[ . 1 . 2]" 2
540 1 59 GLN H 1 60 HIS H . . 4.530 4.254 4.079 4.490 . 0 0 "[ . 1 . 2]" 2
541 1 60 HIS H 1 65 HIS H . . 4.450 3.876 3.514 4.244 . 0 0 "[ . 1 . 2]" 2
542 1 65 HIS H 1 66 PHE H . . 4.570 4.412 4.382 4.479 . 0 0 "[ . 1 . 2]" 2
543 1 52 LEU MD1 1 66 PHE H . . 5.070 4.648 4.346 4.832 . 0 0 "[ . 1 . 2]" 2
544 1 52 LEU MD1 1 67 TYR H . . 4.360 3.875 3.640 4.154 . 0 0 "[ . 1 . 2]" 2
545 1 52 LEU MD1 1 68 CYS H . . 4.780 4.318 4.095 4.506 . 0 0 "[ . 1 . 2]" 2
546 1 52 LEU MD1 1 53 TRP H . . 5.500 5.483 5.342 5.537 0.037 13 0 "[ . 1 . 2]" 2
547 1 18 CYS HA 1 20 LEU H . . 4.350 4.002 3.484 4.395 0.045 19 0 "[ . 1 . 2]" 2
548 1 22 GLY H 1 23 GLU H . . 3.340 2.215 2.012 2.595 . 0 0 "[ . 1 . 2]" 2
549 1 21 CYS H 1 22 GLY H . . 3.010 2.331 2.110 2.563 . 0 0 "[ . 1 . 2]" 2
550 1 60 HIS HE1 1 63 ASP H . . 4.900 3.922 3.230 4.513 . 0 0 "[ . 1 . 2]" 2
551 1 60 HIS HE1 1 75 THR HA . . 5.110 4.095 2.817 5.104 . 0 0 "[ . 1 . 2]" 2
552 1 60 HIS HE1 1 62 GLY H . . 4.400 3.194 2.839 3.407 . 0 0 "[ . 1 . 2]" 2
553 1 60 HIS HE1 1 62 GLY HA2 . . 4.090 3.832 3.523 4.032 . 0 0 "[ . 1 . 2]" 2
554 1 60 HIS HE1 1 62 GLY HA3 . . 4.090 2.390 2.099 2.717 . 0 0 "[ . 1 . 2]" 2
555 1 60 HIS HE1 1 61 PRO HD2 . . 4.940 4.415 4.097 4.706 . 0 0 "[ . 1 . 2]" 2
556 1 60 HIS HE1 1 61 PRO HG2 . . 4.860 4.521 4.009 4.865 0.005 11 0 "[ . 1 . 2]" 2
557 1 60 HIS HE1 1 73 PRO HB2 . . 4.730 3.881 3.417 4.285 . 0 0 "[ . 1 . 2]" 2
558 1 60 HIS HE1 1 75 THR MG . . 5.010 3.483 2.804 4.603 . 0 0 "[ . 1 . 2]" 2
559 1 48 CYS HB2 1 71 HIS HE1 . . 3.860 3.678 3.630 3.729 . 0 0 "[ . 1 . 2]" 2
560 1 48 CYS HB3 1 71 HIS HE1 . . 3.290 1.982 1.962 2.016 . 0 0 "[ . 1 . 2]" 2
561 1 47 THR MG 1 71 HIS HE1 . . 4.460 2.045 2.005 2.102 . 0 0 "[ . 1 . 2]" 2
562 1 18 CYS HB3 1 39 HIS HE1 . . 3.900 3.044 2.019 3.847 . 0 0 "[ . 1 . 2]" 2
563 1 23 GLU HB2 1 39 HIS HE1 . . 3.660 2.004 1.952 2.576 . 0 0 "[ . 1 . 2]" 2
564 1 23 GLU HB3 1 39 HIS HE1 . . 3.660 3.446 2.868 3.716 0.056 6 0 "[ . 1 . 2]" 2
565 1 25 LEU MD2 1 39 HIS HE1 . . 4.840 3.956 3.573 4.338 . 0 0 "[ . 1 . 2]" 2
566 1 17 LEU HB2 1 22 GLY HA2 . . 4.950 3.489 3.181 3.647 . 0 0 "[ . 1 . 2]" 2
567 1 17 LEU HB3 1 22 GLY HA2 . . 4.920 3.448 2.439 3.763 . 0 0 "[ . 1 . 2]" 2
568 1 17 LEU MD1 1 22 GLY HA2 . . 4.860 4.209 3.979 4.389 . 0 0 "[ . 1 . 2]" 2
569 1 61 PRO HG2 1 62 GLY HA2 . . 5.500 4.064 3.985 4.329 . 0 0 "[ . 1 . 2]" 2
570 1 17 LEU HB2 1 22 GLY HA3 . . 4.950 4.650 3.340 4.994 0.044 12 0 "[ . 1 . 2]" 2
571 1 17 LEU HB3 1 22 GLY HA3 . . 4.920 4.540 2.952 4.935 0.015 10 0 "[ . 1 . 2]" 2
572 1 61 PRO HB2 1 62 GLY HA3 . . 5.460 4.975 4.729 5.261 . 0 0 "[ . 1 . 2]" 2
573 1 61 PRO HG2 1 62 GLY HA3 . . 5.500 4.260 4.017 4.625 . 0 0 "[ . 1 . 2]" 2
574 1 16 ASP QB 1 24 HIS HE1 . . 5.500 5.216 4.341 5.521 0.021 19 0 "[ . 1 . 2]" 2
575 1 17 LEU MD2 1 24 HIS HE1 . . 5.500 4.571 3.240 5.437 . 0 0 "[ . 1 . 2]" 2
576 1 59 GLN HE22 1 64 GLY HA2 . . 4.990 4.028 3.440 4.350 . 0 0 "[ . 1 . 2]" 2
577 1 12 ALA MB 1 13 GLY HA2 . . 5.310 4.146 3.735 5.010 . 0 0 "[ . 1 . 2]" 2
578 1 13 GLY HA2 1 14 ALA MB . . 5.500 4.284 3.902 4.969 . 0 0 "[ . 1 . 2]" 2
579 1 56 GLY HA3 1 69 LEU HG . . 5.060 3.763 3.477 4.023 . 0 0 "[ . 1 . 2]" 2
580 1 31 LEU HB2 1 33 VAL MG2 . . 4.710 3.603 3.261 4.313 . 0 0 "[ . 1 . 2]" 2
581 1 31 LEU HB3 1 38 PHE HB2 . . 4.760 3.472 2.438 4.167 . 0 0 "[ . 1 . 2]" 2
582 1 31 LEU HB3 1 33 VAL MG2 . . 4.710 2.385 1.993 2.968 . 0 0 "[ . 1 . 2]" 2
583 1 78 GLY QA 1 79 PRO QD . . 3.300 1.976 1.835 2.274 . 0 0 "[ . 1 . 2]" 2
584 1 17 LEU H 1 17 LEU HB2 . . 3.940 2.887 2.789 2.985 . 0 0 "[ . 1 . 2]" 2
585 1 17 LEU HB3 1 17 LEU MD1 . . 3.500 2.429 2.338 2.584 . 0 0 "[ . 1 . 2]" 2
586 1 38 PHE HB3 1 43 PHE HB3 . . 4.970 4.779 4.511 4.990 0.020 20 0 "[ . 1 . 2]" 2
587 1 57 TYR HB2 1 68 CYS HA . . 4.720 3.259 3.025 3.373 . 0 0 "[ . 1 . 2]" 2
588 1 57 TYR HB2 1 58 GLU HA . . 5.080 4.654 4.499 4.766 . 0 0 "[ . 1 . 2]" 2
589 1 52 LEU MD2 1 57 TYR HB2 . . 3.910 2.299 2.027 2.568 . 0 0 "[ . 1 . 2]" 2
590 1 52 LEU HB3 1 57 TYR HB2 . . 4.790 2.673 2.457 2.950 . 0 0 "[ . 1 . 2]" 2
591 1 52 LEU HB3 1 57 TYR HB3 . . 4.630 2.367 2.220 2.593 . 0 0 "[ . 1 . 2]" 2
592 1 38 PHE HB2 1 43 PHE HB3 . . 4.970 4.305 3.971 4.658 . 0 0 "[ . 1 . 2]" 2
593 1 38 PHE HB2 1 39 HIS H . . 4.520 3.580 3.317 3.881 . 0 0 "[ . 1 . 2]" 2
594 1 31 LEU HB2 1 38 PHE HB2 . . 4.760 2.731 2.177 3.724 . 0 0 "[ . 1 . 2]" 2
595 1 52 LEU HG 1 57 TYR HB3 . . 5.380 4.922 4.647 5.175 . 0 0 "[ . 1 . 2]" 2
596 1 25 LEU MD1 1 30 ARG QD . . 4.430 3.852 3.612 4.453 0.023 10 0 "[ . 1 . 2]" 2
597 1 30 ARG QD 1 37 PHE HZ . . 4.900 4.113 3.531 4.918 0.018 11 0 "[ . 1 . 2]" 2
598 1 27 VAL HA 1 30 ARG QD . . 4.360 2.875 1.868 3.825 . 0 0 "[ . 1 . 2]" 2
599 1 30 ARG HB2 1 30 ARG QD . . 3.660 2.454 2.220 3.137 . 0 0 "[ . 1 . 2]" 2
600 1 25 LEU MD2 1 30 ARG QD . . 4.740 4.546 4.153 4.769 0.029 15 0 "[ . 1 . 2]" 2
601 1 67 TYR HB3 1 72 LEU HA . . 4.000 3.009 2.888 3.104 . 0 0 "[ . 1 . 2]" 2
602 1 67 TYR HB3 1 73 PRO HD3 . . 5.060 3.999 3.845 4.171 . 0 0 "[ . 1 . 2]" 2
603 1 67 TYR HB3 1 72 LEU HG . . 5.500 5.432 5.352 5.512 0.012 13 0 "[ . 1 . 2]" 2
604 1 67 TYR HB3 1 71 HIS H . . 5.100 4.268 4.195 4.321 . 0 0 "[ . 1 . 2]" 2
605 1 45 CYS HB2 1 67 TYR HB3 . . 5.500 5.513 5.409 5.564 0.064 5 0 "[ . 1 . 2]" 2
606 1 67 TYR HB3 1 72 LEU HB2 . . 4.680 3.827 3.715 3.948 . 0 0 "[ . 1 . 2]" 2
607 1 42 CYS HA 1 44 ARG HD3 . . 5.500 5.284 5.045 5.505 0.005 1 0 "[ . 1 . 2]" 2
608 1 44 ARG HD3 1 49 GLU HB2 . . 4.590 3.850 2.812 4.412 . 0 0 "[ . 1 . 2]" 2
609 1 44 ARG HD3 1 49 GLU HB3 . . 4.590 3.209 1.993 4.607 0.017 1 0 "[ . 1 . 2]" 2
610 1 44 ARG HD3 1 49 GLU QG . . 4.990 4.385 2.701 4.996 0.006 16 0 "[ . 1 . 2]" 2
611 1 44 ARG H 1 44 ARG HD3 . . 5.500 5.149 4.205 5.536 0.036 1 0 "[ . 1 . 2]" 2
612 1 44 ARG HD3 1 49 GLU HA . . 4.420 3.740 2.137 4.235 . 0 0 "[ . 1 . 2]" 2
613 1 44 ARG H 1 44 ARG HD2 . . 4.790 4.247 2.744 4.721 . 0 0 "[ . 1 . 2]" 2
614 1 44 ARG HD2 1 49 GLU QG . . 5.040 4.706 3.522 5.061 0.021 1 0 "[ . 1 . 2]" 2
615 1 66 PHE HA 1 67 TYR HB2 . . 4.940 4.712 4.666 4.751 . 0 0 "[ . 1 . 2]" 2
616 1 67 TYR HB2 1 72 LEU HA . . 3.990 2.217 2.080 2.420 . 0 0 "[ . 1 . 2]" 2
617 1 60 HIS HB2 1 67 TYR HB2 . . 4.930 4.149 3.892 4.347 . 0 0 "[ . 1 . 2]" 2
618 1 67 TYR HB2 1 72 LEU HG . . 5.070 3.985 3.895 4.090 . 0 0 "[ . 1 . 2]" 2
619 1 67 TYR HB2 1 72 LEU HB2 . . 4.540 2.754 2.624 2.921 . 0 0 "[ . 1 . 2]" 2
620 1 20 LEU HB3 1 42 CYS HB3 . . 3.900 2.768 2.233 3.339 . 0 0 "[ . 1 . 2]" 2
621 1 20 LEU HB3 1 21 CYS HB3 . . 4.450 3.878 3.608 4.005 . 0 0 "[ . 1 . 2]" 2
622 1 20 LEU HB2 1 42 CYS HB2 . . 4.320 3.202 2.810 3.566 . 0 0 "[ . 1 . 2]" 2
623 1 20 LEU HB2 1 42 CYS HB3 . . 3.980 2.421 2.078 2.687 . 0 0 "[ . 1 . 2]" 2
624 1 24 HIS HA 1 25 LEU HB2 . . 4.900 4.408 4.227 4.614 . 0 0 "[ . 1 . 2]" 2
625 1 67 TYR HB3 1 71 HIS HB2 . . 4.340 3.105 3.037 3.200 . 0 0 "[ . 1 . 2]" 2
626 1 40 ARG HA 1 40 ARG HD2 . . 4.930 3.907 2.142 4.756 . 0 0 "[ . 1 . 2]" 2
627 1 46 HIS HD2 1 67 TYR QD . . 4.860 3.650 3.491 3.831 . 0 0 "[ . 1 . 2]" 2
628 1 67 TYR QD 1 72 LEU HB2 . . 4.810 4.518 4.379 4.709 . 0 0 "[ . 1 . 2]" 2
629 1 60 HIS HA 1 67 TYR QD . . 4.790 4.737 4.613 4.817 0.027 19 0 "[ . 1 . 2]" 2
630 1 67 TYR QD 1 71 HIS HB3 . . 3.830 3.748 3.620 3.844 0.014 14 0 "[ . 1 . 2]" 2
631 1 67 TYR QD 1 71 HIS HB2 . . 4.320 4.182 4.128 4.256 . 0 0 "[ . 1 . 2]" 2
632 1 46 HIS HB3 1 67 TYR QD . . 4.300 2.322 2.196 2.445 . 0 0 "[ . 1 . 2]" 2
633 1 67 TYR QD 1 72 LEU HG . . 4.850 4.423 4.203 4.631 . 0 0 "[ . 1 . 2]" 2
634 1 67 TYR QD 1 73 PRO HG3 . . 5.110 4.688 4.229 4.941 . 0 0 "[ . 1 . 2]" 2
635 1 69 LEU HA 1 72 LEU HB3 . . 4.390 3.296 3.189 3.418 . 0 0 "[ . 1 . 2]" 2
636 1 67 TYR HB2 1 72 LEU HB3 . . 4.750 4.233 4.098 4.381 . 0 0 "[ . 1 . 2]" 2
637 1 72 LEU HB3 1 73 PRO HD2 . . 4.860 4.361 4.317 4.408 . 0 0 "[ . 1 . 2]" 2
638 1 67 TYR HB3 1 72 LEU HB3 . . 5.380 5.191 5.059 5.302 . 0 0 "[ . 1 . 2]" 2
639 1 72 LEU HB3 1 73 PRO HD3 . . 5.500 5.048 5.034 5.067 . 0 0 "[ . 1 . 2]" 2
640 1 72 LEU HB3 1 74 GLN QG . . 5.500 4.849 4.622 5.234 . 0 0 "[ . 1 . 2]" 2
641 1 69 LEU HA 1 72 LEU HB2 . . 4.360 3.292 3.167 3.381 . 0 0 "[ . 1 . 2]" 2
642 1 69 LEU H 1 72 LEU HB2 . . 5.500 4.955 4.879 5.035 . 0 0 "[ . 1 . 2]" 2
643 1 72 LEU HB2 1 73 PRO HD2 . . 4.860 4.064 3.994 4.184 . 0 0 "[ . 1 . 2]" 2
644 1 72 LEU HB2 1 73 PRO HD3 . . 5.140 4.829 4.790 4.895 . 0 0 "[ . 1 . 2]" 2
645 1 53 TRP HA 1 57 TYR QD . . 5.500 5.188 5.106 5.253 . 0 0 "[ . 1 . 2]" 2
646 1 57 TYR QD 1 68 CYS HA . . 5.500 5.019 4.793 5.137 . 0 0 "[ . 1 . 2]" 2
647 1 57 TYR QD 1 59 GLN H . . 4.780 4.753 4.596 4.798 0.018 9 0 "[ . 1 . 2]" 2
648 1 57 TYR QD 1 66 PHE QD . . 3.700 2.338 2.117 2.652 . 0 0 "[ . 1 . 2]" 2
649 1 57 TYR HA 1 57 TYR QD . . 4.030 3.710 3.679 3.731 . 0 0 "[ . 1 . 2]" 2
650 1 43 PHE QE 1 57 TYR QD . . 4.390 3.481 2.856 4.114 . 0 0 "[ . 1 . 2]" 2
651 1 43 PHE HZ 1 57 TYR QD . . 4.410 3.602 3.015 4.111 . 0 0 "[ . 1 . 2]" 2
652 1 54 PRO HA 1 57 TYR QD . . 3.780 3.283 2.978 3.541 . 0 0 "[ . 1 . 2]" 2
653 1 57 TYR QD 1 58 GLU HA . . 4.120 3.721 3.429 4.029 . 0 0 "[ . 1 . 2]" 2
654 1 57 TYR QD 1 66 PHE HB2 . . 4.810 4.631 4.443 4.808 . 0 0 "[ . 1 . 2]" 2
655 1 57 TYR QD 1 66 PHE HB3 . . 4.380 2.927 2.736 3.130 . 0 0 "[ . 1 . 2]" 2
656 1 52 LEU HG 1 57 TYR QD . . 5.500 5.372 5.169 5.509 0.009 13 0 "[ . 1 . 2]" 2
657 1 57 TYR QD 1 69 LEU MD1 . . 5.500 5.191 4.950 5.382 . 0 0 "[ . 1 . 2]" 2
658 1 57 TYR QD 1 69 LEU MD2 . . 5.500 4.449 4.310 4.565 . 0 0 "[ . 1 . 2]" 2
659 1 52 LEU MD2 1 57 TYR QD . . 4.100 3.702 3.457 3.860 . 0 0 "[ . 1 . 2]" 2
660 1 52 LEU HB3 1 57 TYR QD . . 4.170 3.317 3.195 3.405 . 0 0 "[ . 1 . 2]" 2
661 1 43 PHE QD 1 52 LEU HB3 . . 5.050 3.790 3.360 4.396 . 0 0 "[ . 1 . 2]" 2
662 1 37 PHE H 1 37 PHE HB3 . . 4.200 3.706 3.634 3.807 . 0 0 "[ . 1 . 2]" 2
663 1 16 ASP H 1 16 ASP QB . . 3.680 2.760 2.268 3.403 . 0 0 "[ . 1 . 2]" 2
664 1 16 ASP QB 1 24 HIS HA . . 5.430 5.049 4.685 5.447 0.017 4 0 "[ . 1 . 2]" 2
665 1 16 ASP QB 1 25 LEU HB2 . . 5.080 3.322 2.943 3.526 . 0 0 "[ . 1 . 2]" 2
666 1 16 ASP QB 1 25 LEU HB3 . . 5.040 4.680 3.862 4.899 . 0 0 "[ . 1 . 2]" 2
667 1 16 ASP QB 1 25 LEU MD1 . . 4.100 3.524 3.141 3.728 . 0 0 "[ . 1 . 2]" 2
668 1 26 TYR QD 1 27 VAL H . . 4.690 2.813 2.383 3.485 . 0 0 "[ . 1 . 2]" 2
669 1 26 TYR HA 1 26 TYR QD . . 3.390 2.252 2.000 2.659 . 0 0 "[ . 1 . 2]" 2
670 1 26 TYR QD 1 29 GLU QG . . 4.080 2.349 2.089 2.997 . 0 0 "[ . 1 . 2]" 2
671 1 26 TYR QD 1 29 GLU HB2 . . 5.190 3.986 3.785 4.349 . 0 0 "[ . 1 . 2]" 2
672 1 69 LEU HB2 1 69 LEU MD1 . . 3.460 2.381 2.260 2.446 . 0 0 "[ . 1 . 2]" 2
673 1 69 LEU HB3 1 70 GLN H . . 4.640 4.463 4.432 4.497 . 0 0 "[ . 1 . 2]" 2
674 1 69 LEU H 1 69 LEU HB3 . . 3.850 3.612 3.596 3.621 . 0 0 "[ . 1 . 2]" 2
675 1 38 PHE QD 1 43 PHE QD . . 4.990 3.515 2.942 4.131 . 0 0 "[ . 1 . 2]" 2
676 1 37 PHE HA 1 38 PHE QD . . 5.030 2.965 2.525 3.989 . 0 0 "[ . 1 . 2]" 2
677 1 38 PHE QD 1 42 CYS HB3 . . 5.500 4.610 3.923 5.125 . 0 0 "[ . 1 . 2]" 2
678 1 36 HIS HB2 1 38 PHE QD . . 5.110 4.170 3.912 4.535 . 0 0 "[ . 1 . 2]" 2
679 1 20 LEU HB3 1 38 PHE QD . . 5.380 4.925 4.007 5.280 . 0 0 "[ . 1 . 2]" 2
680 1 20 LEU HB2 1 38 PHE QD . . 4.640 3.513 2.728 3.787 . 0 0 "[ . 1 . 2]" 2
681 1 20 LEU HG 1 38 PHE QD . . 4.790 3.689 1.986 4.509 . 0 0 "[ . 1 . 2]" 2
682 1 30 ARG HB2 1 37 PHE QE . . 5.270 4.156 3.702 4.616 . 0 0 "[ . 1 . 2]" 2
683 1 33 VAL MG1 1 38 PHE QD . . 4.950 4.320 3.762 4.827 . 0 0 "[ . 1 . 2]" 2
684 1 66 PHE H 1 66 PHE QE . . 5.390 4.948 4.788 5.252 . 0 0 "[ . 1 . 2]" 2
685 1 43 PHE QE 1 66 PHE QE . . 4.860 3.872 3.256 4.293 . 0 0 "[ . 1 . 2]" 2
686 1 66 PHE HA 1 66 PHE QE . . 4.850 4.567 4.317 4.648 . 0 0 "[ . 1 . 2]" 2
687 1 34 ASN HB2 1 66 PHE QE . . 4.880 4.529 4.132 4.883 0.003 5 0 "[ . 1 . 2]" 2
688 1 33 VAL HB 1 66 PHE QE . . 5.130 4.487 4.196 4.725 . 0 0 "[ . 1 . 2]" 2
689 1 57 TYR QD 1 66 PHE QE . . 4.430 4.216 3.955 4.437 0.007 5 0 "[ . 1 . 2]" 2
690 1 57 TYR QE 1 66 PHE QE . . 4.310 2.379 2.133 2.658 . 0 0 "[ . 1 . 2]" 2
691 1 43 PHE HZ 1 66 PHE QE . . 4.930 3.664 3.116 4.344 . 0 0 "[ . 1 . 2]" 2
692 1 59 GLN HB2 1 66 PHE QE . . 4.560 2.461 2.102 2.842 . 0 0 "[ . 1 . 2]" 2
693 1 59 GLN HB3 1 66 PHE QE . . 4.560 3.488 3.203 3.622 . 0 0 "[ . 1 . 2]" 2
694 1 57 TYR QE 1 66 PHE QD . . 4.200 2.083 1.986 2.367 . 0 0 "[ . 1 . 2]" 2
695 1 43 PHE HZ 1 66 PHE QD . . 4.760 3.127 2.387 3.931 . 0 0 "[ . 1 . 2]" 2
696 1 66 PHE HA 1 66 PHE QD . . 4.180 2.884 2.316 3.108 . 0 0 "[ . 1 . 2]" 2
697 1 59 GLN HG2 1 66 PHE QD . . 5.090 4.821 4.484 5.092 0.002 5 0 "[ . 1 . 2]" 2
698 1 59 GLN HB3 1 66 PHE QD . . 4.480 4.091 3.895 4.264 . 0 0 "[ . 1 . 2]" 2
699 1 59 GLN HG3 1 66 PHE QD . . 5.090 3.652 3.098 4.126 . 0 0 "[ . 1 . 2]" 2
700 1 43 PHE QE 1 66 PHE QD . . 4.630 3.374 2.873 3.941 . 0 0 "[ . 1 . 2]" 2
701 1 65 HIS HA 1 66 PHE QD . . 4.790 3.449 2.869 4.394 . 0 0 "[ . 1 . 2]" 2
702 1 33 VAL MG1 1 66 PHE QD . . 4.540 3.786 3.434 4.376 . 0 0 "[ . 1 . 2]" 2
703 1 30 ARG HB2 1 37 PHE QD . . 4.400 2.420 2.002 2.839 . 0 0 "[ . 1 . 2]" 2
704 1 30 ARG HG2 1 37 PHE QD . . 4.630 4.175 3.728 4.734 0.104 15 0 "[ . 1 . 2]" 2
705 1 38 PHE H 1 38 PHE QE . . 5.500 4.664 4.287 5.113 . 0 0 "[ . 1 . 2]" 2
706 1 32 CYS HA 1 37 PHE QD . . 4.440 3.003 2.177 3.537 . 0 0 "[ . 1 . 2]" 2
707 1 36 HIS HA 1 37 PHE QD . . 4.800 3.516 2.901 4.265 . 0 0 "[ . 1 . 2]" 2
708 1 30 ARG QD 1 37 PHE QD . . 3.860 2.836 2.216 3.862 0.002 10 0 "[ . 1 . 2]" 2
709 1 30 ARG HG3 1 37 PHE QD . . 4.630 2.686 2.121 4.249 . 0 0 "[ . 1 . 2]" 2
710 1 25 LEU MD2 1 37 PHE QD . . 4.790 4.333 3.903 4.731 . 0 0 "[ . 1 . 2]" 2
711 1 45 CYS HB2 1 47 THR HB . . 5.500 5.382 5.273 5.517 0.017 3 0 "[ . 1 . 2]" 2
712 1 43 PHE QD 1 52 LEU HB2 . . 4.570 2.408 1.996 2.985 . 0 0 "[ . 1 . 2]" 2
713 1 75 THR HA 1 75 THR HB . . 2.900 2.485 2.375 3.004 0.104 2 0 "[ . 1 . 2]" 2
714 1 47 THR HB 1 48 CYS HB3 . . 5.080 4.192 4.116 4.261 . 0 0 "[ . 1 . 2]" 2
715 1 47 THR HB 1 67 TYR QD . . 4.130 3.686 3.528 3.849 . 0 0 "[ . 1 . 2]" 2
716 1 47 THR HB 1 71 HIS HA . . 5.380 5.091 5.011 5.157 . 0 0 "[ . 1 . 2]" 2
717 1 47 THR HB 1 71 HIS HB3 . . 3.810 2.805 2.731 2.877 . 0 0 "[ . 1 . 2]" 2
718 1 47 THR HB 1 71 HIS HB2 . . 4.000 3.250 3.194 3.287 . 0 0 "[ . 1 . 2]" 2
719 1 43 PHE QE 1 52 LEU HB2 . . 4.650 2.778 1.992 3.296 . 0 0 "[ . 1 . 2]" 2
720 1 51 THR HB 1 53 TRP HH2 . . 5.050 4.208 3.867 4.650 . 0 0 "[ . 1 . 2]" 2
721 1 50 ALA HA 1 51 THR HB . . 4.900 4.800 4.678 4.894 . 0 0 "[ . 1 . 2]" 2
722 1 50 ALA MB 1 51 THR HB . . 4.440 4.404 4.290 4.474 0.034 1 0 "[ . 1 . 2]" 2
723 1 26 TYR HB2 1 29 GLU QG . . 4.570 2.949 2.481 3.382 . 0 0 "[ . 1 . 2]" 2
724 1 26 TYR HB3 1 27 VAL H . . 4.850 3.339 2.821 3.788 . 0 0 "[ . 1 . 2]" 2
725 1 26 TYR HB3 1 29 GLU QG . . 4.570 2.026 1.930 2.339 . 0 0 "[ . 1 . 2]" 2
726 1 36 HIS HB3 1 38 PHE HZ . . 4.510 2.868 2.325 3.671 . 0 0 "[ . 1 . 2]" 2
727 1 36 HIS HB2 1 38 PHE HZ . . 4.370 2.499 1.990 3.216 . 0 0 "[ . 1 . 2]" 2
728 1 43 PHE HZ 1 52 LEU HB2 . . 5.500 4.485 3.676 5.466 . 0 0 "[ . 1 . 2]" 2
729 1 38 PHE HB3 1 43 PHE HB2 . . 4.860 3.039 2.754 3.247 . 0 0 "[ . 1 . 2]" 2
730 1 34 ASN HB2 1 66 PHE HZ . . 4.840 3.822 3.220 4.300 . 0 0 "[ . 1 . 2]" 2
731 1 53 TRP HA 1 53 TRP HD1 . . 4.760 4.372 4.301 4.460 . 0 0 "[ . 1 . 2]" 2
732 1 52 LEU HA 1 53 TRP HD1 . . 4.480 3.742 3.567 4.083 . 0 0 "[ . 1 . 2]" 2
733 1 51 THR MG 1 53 TRP HD1 . . 5.060 4.974 4.712 5.090 0.030 16 0 "[ . 1 . 2]" 2
734 1 49 GLU HA 1 49 GLU QG . . 3.420 2.650 2.357 3.337 . 0 0 "[ . 1 . 2]" 2
735 1 51 THR HB 1 53 TRP HD1 . . 5.500 5.323 4.916 5.487 . 0 0 "[ . 1 . 2]" 2
736 1 28 LEU HA 1 29 GLU QG . . 5.120 4.739 4.364 5.146 0.026 14 0 "[ . 1 . 2]" 2
737 1 29 GLU QG 1 30 ARG H . . 4.730 4.129 3.775 4.553 . 0 0 "[ . 1 . 2]" 2
738 1 26 TYR HA 1 29 GLU QG . . 4.770 4.763 4.488 4.825 0.055 4 0 "[ . 1 . 2]" 2
739 1 29 GLU HA 1 29 GLU QG . . 3.500 2.565 2.314 2.921 . 0 0 "[ . 1 . 2]" 2
740 1 28 LEU HB2 1 29 GLU QG . . 4.450 3.241 2.831 3.506 . 0 0 "[ . 1 . 2]" 2
741 1 28 LEU HB3 1 29 GLU QG . . 4.450 3.975 3.481 4.269 . 0 0 "[ . 1 . 2]" 2
742 1 58 GLU HA 1 58 GLU QG . . 3.670 2.403 2.168 2.850 . 0 0 "[ . 1 . 2]" 2
743 1 58 GLU QG 1 72 LEU HB2 . . 5.500 5.233 4.932 5.454 . 0 0 "[ . 1 . 2]" 2
744 1 23 GLU HG2 1 24 HIS H . . 5.090 4.303 3.790 4.785 . 0 0 "[ . 1 . 2]" 2
745 1 23 GLU HG2 1 39 HIS HE1 . . 4.850 4.363 3.218 4.913 0.063 15 0 "[ . 1 . 2]" 2
746 1 23 GLU HG3 1 24 HIS H . . 5.090 4.633 4.393 4.815 . 0 0 "[ . 1 . 2]" 2
747 1 11 GLU QG 1 12 ALA H . . 4.000 2.952 1.854 3.974 . 0 0 "[ . 1 . 2]" 2
748 1 23 GLU HG3 1 39 HIS HE1 . . 4.850 3.716 3.271 4.521 . 0 0 "[ . 1 . 2]" 2
749 1 47 THR HA 1 47 THR MG . . 3.070 2.538 2.518 2.553 . 0 0 "[ . 1 . 2]" 2
750 1 44 ARG HB2 1 49 GLU HA . . 4.080 2.766 2.425 3.146 . 0 0 "[ . 1 . 2]" 2
751 1 47 THR HA 1 67 TYR QD . . 5.220 4.929 4.777 5.126 . 0 0 "[ . 1 . 2]" 2
752 1 47 THR HA 1 71 HIS HB3 . . 5.500 5.547 5.500 5.575 0.075 10 0 "[ . 1 . 2]" 2
753 1 33 VAL HB 1 38 PHE HZ . . 5.050 4.302 3.760 4.733 . 0 0 "[ . 1 . 2]" 2
754 1 33 VAL HB 1 66 PHE HZ . . 5.350 4.304 3.894 4.912 . 0 0 "[ . 1 . 2]" 2
755 1 33 VAL HB 1 38 PHE QE . . 4.320 2.241 1.991 2.650 . 0 0 "[ . 1 . 2]" 2
756 1 33 VAL HB 1 38 PHE QD . . 4.600 3.022 2.565 3.584 . 0 0 "[ . 1 . 2]" 2
757 1 32 CYS HA 1 33 VAL HB . . 5.120 4.828 4.718 5.133 0.013 15 0 "[ . 1 . 2]" 2
758 1 27 VAL HA 1 28 LEU HG . . 5.500 5.147 4.711 5.513 0.013 20 0 "[ . 1 . 2]" 2
759 1 33 VAL HB 1 34 ASN HB2 . . 5.500 4.246 3.768 4.546 . 0 0 "[ . 1 . 2]" 2
760 1 33 VAL HB 1 36 HIS HB2 . . 5.500 3.730 3.125 4.190 . 0 0 "[ . 1 . 2]" 2
761 1 43 PHE HB3 1 51 THR HA . . 5.500 4.883 4.558 5.407 . 0 0 "[ . 1 . 2]" 2
762 1 44 ARG HD2 1 51 THR HA . . 5.500 5.022 4.740 5.524 0.024 18 0 "[ . 1 . 2]" 2
763 1 44 ARG HG2 1 51 THR HA . . 4.420 2.317 1.981 4.193 . 0 0 "[ . 1 . 2]" 2
764 1 51 THR HA 1 51 THR MG . . 3.390 2.331 2.227 2.461 . 0 0 "[ . 1 . 2]" 2
765 1 51 THR HA 1 52 LEU HB2 . . 5.280 4.600 4.566 4.641 . 0 0 "[ . 1 . 2]" 2
766 1 74 GLN QG 1 75 THR H . . 4.610 4.203 3.536 4.566 . 0 0 "[ . 1 . 2]" 2
767 1 74 GLN HA 1 74 GLN QG . . 3.740 2.515 2.208 2.789 . 0 0 "[ . 1 . 2]" 2
768 1 73 PRO HA 1 74 GLN QG . . 4.660 4.207 4.117 4.672 0.012 20 0 "[ . 1 . 2]" 2
769 1 61 PRO HA 1 64 GLY H . . 4.780 4.442 3.934 4.765 . 0 0 "[ . 1 . 2]" 2
770 1 27 VAL HA 1 30 ARG HB2 . . 5.500 5.461 5.263 5.609 0.109 11 0 "[ . 1 . 2]" 2
771 1 67 TYR HB3 1 71 HIS HB3 . . 4.440 3.417 3.289 3.605 . 0 0 "[ . 1 . 2]" 2
772 1 70 GLN H 1 71 HIS HB3 . . 5.500 5.341 5.296 5.381 . 0 0 "[ . 1 . 2]" 2
773 1 48 CYS HB2 1 50 ALA H . . 4.840 4.213 3.655 4.452 . 0 0 "[ . 1 . 2]" 2
774 1 48 CYS H 1 48 CYS HB2 . . 4.110 3.752 3.722 3.804 . 0 0 "[ . 1 . 2]" 2
775 1 47 THR MG 1 48 CYS HB2 . . 4.650 4.538 4.461 4.642 . 0 0 "[ . 1 . 2]" 2
776 1 48 CYS HB3 1 50 ALA H . . 5.120 4.988 4.551 5.129 0.009 10 0 "[ . 1 . 2]" 2
777 1 25 LEU MD1 1 30 ARG HB3 . . 4.600 3.520 3.310 3.848 . 0 0 "[ . 1 . 2]" 2
778 1 30 ARG HB3 1 31 LEU H . . 4.400 4.254 4.078 4.384 . 0 0 "[ . 1 . 2]" 2
779 1 25 LEU MD2 1 30 ARG HB3 . . 4.470 3.050 2.611 3.464 . 0 0 "[ . 1 . 2]" 2
780 1 27 VAL HA 1 30 ARG HB3 . . 4.990 4.293 4.142 4.545 . 0 0 "[ . 1 . 2]" 2
781 1 25 LEU HG 1 30 ARG HB3 . . 5.150 5.027 4.674 5.182 0.032 2 0 "[ . 1 . 2]" 2
782 1 68 CYS HB3 1 71 HIS HB2 . . 4.820 4.321 4.261 4.419 . 0 0 "[ . 1 . 2]" 2
783 1 59 GLN H 1 59 GLN HG3 . . 5.030 4.719 4.578 4.815 . 0 0 "[ . 1 . 2]" 2
784 1 36 HIS HB2 1 38 PHE QE . . 4.280 2.088 1.987 2.809 . 0 0 "[ . 1 . 2]" 2
785 1 19 ALA MB 1 36 HIS HB2 . . 4.340 4.116 3.390 4.349 0.009 8 0 "[ . 1 . 2]" 2
786 1 60 HIS HB2 1 67 TYR QD . . 3.610 2.733 2.485 2.893 . 0 0 "[ . 1 . 2]" 2
787 1 36 HIS HB3 1 38 PHE QE . . 4.370 3.054 2.646 3.391 . 0 0 "[ . 1 . 2]" 2
788 1 73 PRO HA 1 74 GLN HB2 . . 4.280 4.083 4.037 4.208 . 0 0 "[ . 1 . 2]" 2
789 1 60 HIS HB3 1 67 TYR QD . . 3.720 3.391 3.247 3.580 . 0 0 "[ . 1 . 2]" 2
790 1 60 HIS HB2 1 65 HIS HB2 . . 5.500 5.410 5.203 5.508 0.008 16 0 "[ . 1 . 2]" 2
791 1 73 PRO HB3 1 74 GLN H . . 4.130 3.281 3.188 3.388 . 0 0 "[ . 1 . 2]" 2
792 1 45 CYS HB3 1 68 CYS H . . 4.530 4.482 4.443 4.523 . 0 0 "[ . 1 . 2]" 2
793 1 45 CYS HB3 1 49 GLU HA . . 4.350 2.974 2.868 3.174 . 0 0 "[ . 1 . 2]" 2
794 1 45 CYS HB3 1 49 GLU QG . . 5.150 4.372 4.236 4.535 . 0 0 "[ . 1 . 2]" 2
795 1 17 LEU HB3 1 18 CYS HB3 . . 4.830 4.623 4.460 4.783 . 0 0 "[ . 1 . 2]" 2
796 1 18 CYS HB3 1 25 LEU MD2 . . 4.150 3.651 3.264 4.119 . 0 0 "[ . 1 . 2]" 2
797 1 18 CYS HB3 1 25 LEU MD1 . . 4.840 4.463 4.173 4.865 0.025 13 0 "[ . 1 . 2]" 2
798 1 45 CYS HB2 1 68 CYS H . . 4.190 3.479 3.413 3.552 . 0 0 "[ . 1 . 2]" 2
799 1 45 CYS HB2 1 46 HIS H . . 5.020 3.858 3.837 3.890 . 0 0 "[ . 1 . 2]" 2
800 1 45 CYS HB2 1 68 CYS HA . . 5.090 4.516 4.394 4.622 . 0 0 "[ . 1 . 2]" 2
801 1 45 CYS HB2 1 49 GLU HA . . 4.690 4.197 4.024 4.464 . 0 0 "[ . 1 . 2]" 2
802 1 45 CYS HB2 1 52 LEU MD2 . . 3.740 2.224 2.019 2.369 . 0 0 "[ . 1 . 2]" 2
803 1 18 CYS HB2 1 39 HIS H . . 4.470 3.306 2.772 3.772 . 0 0 "[ . 1 . 2]" 2
804 1 18 CYS HB2 1 23 GLU H . . 4.500 3.621 3.210 4.150 . 0 0 "[ . 1 . 2]" 2
805 1 27 VAL H 1 27 VAL HB . . 4.050 2.989 2.437 3.630 . 0 0 "[ . 1 . 2]" 2
806 1 18 CYS HB2 1 39 HIS HE1 . . 4.130 3.080 2.684 3.568 . 0 0 "[ . 1 . 2]" 2
807 1 18 CYS HB2 1 38 PHE HA . . 4.990 3.541 3.174 4.123 . 0 0 "[ . 1 . 2]" 2
808 1 21 CYS HB2 1 23 GLU HG2 . . 4.540 3.649 2.723 4.552 0.012 11 0 "[ . 1 . 2]" 2
809 1 21 CYS HB2 1 23 GLU HG3 . . 4.540 3.328 2.627 4.201 . 0 0 "[ . 1 . 2]" 2
810 1 20 LEU HB3 1 21 CYS HB2 . . 5.500 5.363 5.136 5.522 0.022 12 0 "[ . 1 . 2]" 2
811 1 21 CYS HB3 1 23 GLU H . . 5.090 4.993 4.687 5.131 0.041 16 0 "[ . 1 . 2]" 2
812 1 27 VAL HB 1 28 LEU HG . . 5.100 3.907 2.871 4.968 . 0 0 "[ . 1 . 2]" 2
813 1 61 PRO HB2 1 62 GLY HA2 . . 5.460 4.078 3.924 4.305 . 0 0 "[ . 1 . 2]" 2
814 1 23 GLU H 1 23 GLU HB2 . . 3.970 2.490 2.241 2.674 . 0 0 "[ . 1 . 2]" 2
815 1 75 THR HA 1 75 THR MG . . 3.560 2.737 2.104 3.203 . 0 0 "[ . 1 . 2]" 2
816 1 39 HIS HB2 1 42 CYS HB2 . . 4.010 2.112 1.931 2.357 . 0 0 "[ . 1 . 2]" 2
817 1 39 HIS HB3 1 42 CYS HA . . 5.500 5.301 4.988 5.595 0.095 14 0 "[ . 1 . 2]" 2
818 1 39 HIS HB3 1 42 CYS HB2 . . 3.970 3.631 3.373 3.844 . 0 0 "[ . 1 . 2]" 2
819 1 39 HIS H 1 42 CYS HB3 . . 4.320 4.028 3.627 4.320 . 0 0 "[ . 1 . 2]" 2
820 1 39 HIS HB2 1 42 CYS HB3 . . 4.190 3.714 3.539 3.871 . 0 0 "[ . 1 . 2]" 2
821 1 39 HIS HB3 1 42 CYS HB3 . . 5.270 5.252 4.994 5.350 0.080 14 0 "[ . 1 . 2]" 2
822 1 42 CYS HB2 1 43 PHE HB2 . . 5.500 4.252 4.057 4.391 . 0 0 "[ . 1 . 2]" 2
823 1 20 LEU HB3 1 42 CYS HB2 . . 4.540 4.116 3.619 4.575 0.035 17 0 "[ . 1 . 2]" 2
824 1 39 HIS HB2 1 42 CYS HA . . 4.920 4.408 4.204 4.595 . 0 0 "[ . 1 . 2]" 2
825 1 20 LEU MD1 1 42 CYS HA . . 5.270 3.999 3.336 4.516 . 0 0 "[ . 1 . 2]" 2
826 1 33 VAL HA 1 33 VAL MG1 . . 3.430 2.338 2.095 2.448 . 0 0 "[ . 1 . 2]" 2
827 1 33 VAL HA 1 33 VAL MG2 . . 3.600 2.403 2.302 2.533 . 0 0 "[ . 1 . 2]" 2
828 1 42 CYS HB3 1 43 PHE HB2 . . 5.490 4.998 4.564 5.340 . 0 0 "[ . 1 . 2]" 2
829 1 38 PHE HB2 1 42 CYS HB2 . . 5.310 4.918 4.503 5.235 . 0 0 "[ . 1 . 2]" 2
830 1 29 GLU HB3 1 40 ARG QG . . 4.850 3.997 3.218 4.682 . 0 0 "[ . 1 . 2]" 2
831 1 29 GLU HB2 1 40 ARG QG . . 5.500 5.046 4.439 5.523 0.023 16 0 "[ . 1 . 2]" 2
832 1 53 TRP HB2 1 53 TRP HD1 . . 3.850 2.695 2.618 2.740 . 0 0 "[ . 1 . 2]" 2
833 1 65 HIS HB3 1 67 TYR QE . . 4.410 3.291 2.861 3.735 . 0 0 "[ . 1 . 2]" 2
834 1 65 HIS HB2 1 67 TYR QE . . 4.170 2.090 1.992 2.294 . 0 0 "[ . 1 . 2]" 2
835 1 53 TRP HB3 1 54 PRO HD2 . . 4.140 1.951 1.915 1.989 . 0 0 "[ . 1 . 2]" 2
836 1 53 TRP HB3 1 54 PRO HD3 . . 4.140 3.344 3.308 3.380 . 0 0 "[ . 1 . 2]" 2
837 1 53 TRP HB2 1 54 PRO HD3 . . 4.750 4.413 4.286 4.523 . 0 0 "[ . 1 . 2]" 2
838 1 17 LEU MD2 1 24 HIS HB2 . . 4.860 3.576 3.298 3.815 . 0 0 "[ . 1 . 2]" 2
839 1 40 ARG HA 1 43 PHE HB2 . . 4.570 4.051 3.794 4.266 . 0 0 "[ . 1 . 2]" 2
840 1 40 ARG HA 1 40 ARG QG . . 3.580 2.356 2.124 2.562 . 0 0 "[ . 1 . 2]" 2
841 1 31 LEU MD1 1 40 ARG HA . . 3.940 1.995 1.833 2.218 . 0 0 "[ . 1 . 2]" 2
842 1 31 LEU MD2 1 40 ARG HA . . 3.940 2.951 2.254 3.658 . 0 0 "[ . 1 . 2]" 2
843 1 74 GLN HB3 1 75 THR H . . 4.080 3.414 2.028 3.801 . 0 0 "[ . 1 . 2]" 2
844 1 73 PRO HA 1 74 GLN HB3 . . 5.500 5.554 5.524 5.605 0.105 15 0 "[ . 1 . 2]" 2
845 1 36 HIS HB2 1 36 HIS HD2 . . 3.880 2.706 2.690 2.754 . 0 0 "[ . 1 . 2]" 2
846 1 40 ARG HA 1 40 ARG HD3 . . 4.930 3.784 2.415 4.630 . 0 0 "[ . 1 . 2]" 2
847 1 40 ARG HA 1 43 PHE HB3 . . 4.520 3.585 3.240 3.842 . 0 0 "[ . 1 . 2]" 2
848 1 46 HIS HB2 1 47 THR H . . 4.340 4.405 4.382 4.425 0.085 19 0 "[ . 1 . 2]" 2
849 1 46 HIS HB3 1 67 TYR QE . . 5.110 2.228 2.121 2.335 . 0 0 "[ . 1 . 2]" 2
850 1 59 GLN HB2 1 66 PHE QD . . 4.480 2.565 2.306 2.898 . 0 0 "[ . 1 . 2]" 2
851 1 36 HIS HA 1 36 HIS HD2 . . 4.910 4.747 4.456 4.890 . 0 0 "[ . 1 . 2]" 2
852 1 34 ASN HB3 1 36 HIS HD2 . . 4.480 4.018 3.004 4.472 . 0 0 "[ . 1 . 2]" 2
853 1 41 SER HA 1 43 PHE H . . 4.980 4.628 4.176 4.889 . 0 0 "[ . 1 . 2]" 2
854 1 41 SER HA 1 51 THR MG . . 4.380 3.506 2.794 4.062 . 0 0 "[ . 1 . 2]" 2
855 1 57 TYR HA 1 68 CYS HB2 . . 5.030 4.606 4.515 4.687 . 0 0 "[ . 1 . 2]" 2
856 1 50 ALA MB 1 68 CYS HB2 . . 4.830 4.401 4.268 4.523 . 0 0 "[ . 1 . 2]" 2
857 1 68 CYS HB2 1 69 LEU HG . . 5.360 4.255 4.007 4.406 . 0 0 "[ . 1 . 2]" 2
858 1 52 LEU MD2 1 68 CYS HB2 . . 3.830 3.489 3.318 3.591 . 0 0 "[ . 1 . 2]" 2
859 1 67 TYR HA 1 68 CYS HB3 . . 5.500 4.516 4.495 4.558 . 0 0 "[ . 1 . 2]" 2
860 1 50 ALA MB 1 68 CYS HB3 . . 4.460 3.587 3.513 3.653 . 0 0 "[ . 1 . 2]" 2
861 1 45 CYS HA 1 47 THR H . . 4.790 3.954 3.919 4.001 . 0 0 "[ . 1 . 2]" 2
862 1 45 CYS HA 1 67 TYR QD . . 4.970 4.828 4.634 4.937 . 0 0 "[ . 1 . 2]" 2
863 1 45 CYS HA 1 67 TYR HA . . 3.680 2.798 2.558 2.857 . 0 0 "[ . 1 . 2]" 2
864 1 45 CYS HA 1 67 TYR HB3 . . 5.370 4.852 4.577 4.949 . 0 0 "[ . 1 . 2]" 2
865 1 45 CYS HA 1 46 HIS HB3 . . 4.720 4.590 4.508 4.667 . 0 0 "[ . 1 . 2]" 2
866 1 45 CYS HA 1 52 LEU MD2 . . 3.850 2.466 2.216 2.784 . 0 0 "[ . 1 . 2]" 2
867 1 53 TRP HA 1 53 TRP HE3 . . 4.210 3.246 2.905 3.412 . 0 0 "[ . 1 . 2]" 2
868 1 53 TRP HE3 1 54 PRO HD2 . . 4.340 3.232 2.843 3.527 . 0 0 "[ . 1 . 2]" 2
869 1 53 TRP HE3 1 54 PRO HD3 . . 4.340 4.043 3.505 4.321 . 0 0 "[ . 1 . 2]" 2
870 1 53 TRP HB3 1 53 TRP HE3 . . 3.870 2.539 2.487 2.654 . 0 0 "[ . 1 . 2]" 2
871 1 53 TRP HB2 1 53 TRP HE3 . . 4.190 4.088 4.046 4.156 . 0 0 "[ . 1 . 2]" 2
872 1 17 LEU MD2 1 24 HIS HD2 . . 4.510 3.857 1.882 4.536 0.026 13 0 "[ . 1 . 2]" 2
873 1 24 HIS H 1 24 HIS HD2 . . 5.500 5.127 4.556 5.594 0.094 9 0 "[ . 1 . 2]" 2
874 1 24 HIS HD2 1 25 LEU H . . 5.130 3.603 1.896 5.109 . 0 0 "[ . 1 . 2]" 2
875 1 46 HIS HD2 1 67 TYR QE . . 3.910 2.073 1.992 2.345 . 0 0 "[ . 1 . 2]" 2
876 1 46 HIS HA 1 46 HIS HD2 . . 4.650 4.248 4.191 4.370 . 0 0 "[ . 1 . 2]" 2
877 1 32 CYS HB3 1 37 PHE QD . . 5.070 4.031 3.341 5.066 . 0 0 "[ . 1 . 2]" 2
878 1 9 HIS HA 1 9 HIS HD2 . . 5.010 3.989 2.245 4.627 . 0 0 "[ . 1 . 2]" 2
879 1 44 ARG HD2 1 49 GLU HA . . 4.620 4.217 2.535 4.636 0.016 6 0 "[ . 1 . 2]" 2
880 1 44 ARG HB3 1 49 GLU HA . . 4.080 2.770 2.204 4.145 0.065 18 0 "[ . 1 . 2]" 2
881 1 32 CYS HB2 1 37 PHE QD . . 5.070 4.415 3.297 5.100 0.030 2 0 "[ . 1 . 2]" 2
882 1 20 LEU HG 1 42 CYS HB3 . . 4.950 3.480 1.940 4.318 . 0 0 "[ . 1 . 2]" 2
883 1 19 ALA MB 1 20 LEU HG . . 5.500 4.617 3.744 5.493 . 0 0 "[ . 1 . 2]" 2
884 1 31 LEU HA 1 40 ARG QG . . 5.500 4.825 3.886 5.485 . 0 0 "[ . 1 . 2]" 2
885 1 39 HIS HA 1 40 ARG QG . . 5.500 4.205 3.792 5.474 . 0 0 "[ . 1 . 2]" 2
886 1 29 GLU QG 1 40 ARG QG . . 5.500 4.375 3.609 4.965 . 0 0 "[ . 1 . 2]" 2
887 1 39 HIS HA 1 39 HIS HD2 . . 4.130 2.393 2.167 2.697 . 0 0 "[ . 1 . 2]" 2
888 1 29 GLU HB3 1 39 HIS HD2 . . 4.110 3.201 2.437 3.766 . 0 0 "[ . 1 . 2]" 2
889 1 29 GLU HB2 1 39 HIS HD2 . . 4.550 3.683 2.977 4.388 . 0 0 "[ . 1 . 2]" 2
890 1 25 LEU HB3 1 39 HIS HD2 . . 4.690 4.595 4.455 4.698 0.008 18 0 "[ . 1 . 2]" 2
891 1 25 LEU MD1 1 39 HIS HD2 . . 5.120 4.914 4.631 5.113 . 0 0 "[ . 1 . 2]" 2
892 1 25 LEU MD2 1 39 HIS HD2 . . 4.400 2.250 1.977 2.480 . 0 0 "[ . 1 . 2]" 2
893 1 57 TYR HB3 1 68 CYS HA . . 4.780 3.928 3.675 4.093 . 0 0 "[ . 1 . 2]" 2
894 1 50 ALA MB 1 68 CYS HA . . 5.500 5.468 5.366 5.544 0.044 14 0 "[ . 1 . 2]" 2
895 1 18 CYS HA 1 19 ALA MB . . 4.020 3.917 3.870 3.999 . 0 0 "[ . 1 . 2]" 2
896 1 17 LEU HB3 1 18 CYS HA . . 5.500 5.310 5.244 5.409 . 0 0 "[ . 1 . 2]" 2
897 1 18 CYS HA 1 25 LEU HB3 . . 5.500 5.510 5.348 5.581 0.081 8 0 "[ . 1 . 2]" 2
898 1 18 CYS HA 1 25 LEU MD1 . . 4.320 2.383 2.095 2.827 . 0 0 "[ . 1 . 2]" 2
899 1 67 TYR QD 1 73 PRO HG2 . . 5.110 4.713 4.231 5.031 . 0 0 "[ . 1 . 2]" 2
900 1 72 LEU HA 1 73 PRO HG2 . . 4.550 4.159 4.140 4.173 . 0 0 "[ . 1 . 2]" 2
901 1 63 ASP HA 1 65 HIS HD2 . . 5.500 4.649 4.067 5.473 . 0 0 "[ . 1 . 2]" 2
902 1 63 ASP HB2 1 65 HIS HD2 . . 4.200 2.926 2.071 4.133 . 0 0 "[ . 1 . 2]" 2
903 1 63 ASP HB3 1 65 HIS HD2 . . 4.200 2.707 2.020 3.998 . 0 0 "[ . 1 . 2]" 2
904 1 18 CYS H 1 24 HIS HA . . 4.410 4.217 3.454 4.389 . 0 0 "[ . 1 . 2]" 2
905 1 24 HIS HA 1 24 HIS HD2 . . 4.810 3.613 2.533 4.087 . 0 0 "[ . 1 . 2]" 2
906 1 17 LEU HG 1 24 HIS HA . . 4.810 4.534 4.190 4.829 0.019 11 0 "[ . 1 . 2]" 2
907 1 17 LEU HB3 1 24 HIS HA . . 4.100 3.530 2.851 4.117 0.017 16 0 "[ . 1 . 2]" 2
908 1 17 LEU MD2 1 24 HIS HA . . 3.460 1.944 1.820 2.156 . 0 0 "[ . 1 . 2]" 2
909 1 24 HIS HA 1 25 LEU MD1 . . 5.030 4.723 4.388 4.981 . 0 0 "[ . 1 . 2]" 2
910 1 24 HIS HA 1 25 LEU MD2 . . 5.500 5.056 4.826 5.453 . 0 0 "[ . 1 . 2]" 2
911 1 58 GLU QG 1 69 LEU HA . . 5.030 4.735 4.441 4.978 . 0 0 "[ . 1 . 2]" 2
912 1 60 HIS H 1 67 TYR QE . . 5.020 3.425 3.149 3.860 . 0 0 "[ . 1 . 2]" 2
913 1 65 HIS H 1 67 TYR QE . . 5.050 2.692 2.354 3.172 . 0 0 "[ . 1 . 2]" 2
914 1 60 HIS HA 1 67 TYR QE . . 5.500 5.255 5.062 5.510 0.010 11 0 "[ . 1 . 2]" 2
915 1 60 HIS HB3 1 67 TYR QE . . 4.180 2.680 2.486 2.829 . 0 0 "[ . 1 . 2]" 2
916 1 46 HIS HB2 1 67 TYR QE . . 4.100 3.581 3.378 3.723 . 0 0 "[ . 1 . 2]" 2
917 1 60 HIS HB2 1 67 TYR QE . . 4.400 3.371 3.238 3.524 . 0 0 "[ . 1 . 2]" 2
918 1 47 THR H 1 67 TYR QE . . 5.500 4.842 4.643 4.911 . 0 0 "[ . 1 . 2]" 2
919 1 66 PHE H 1 67 TYR QE . . 5.500 4.188 4.014 4.401 . 0 0 "[ . 1 . 2]" 2
920 1 67 TYR QE 1 72 LEU MD1 . . 4.980 4.134 4.029 4.296 . 0 0 "[ . 1 . 2]" 2
921 1 65 HIS HD2 1 67 TYR QE . . 4.950 4.143 3.717 4.707 . 0 0 "[ . 1 . 2]" 2
922 1 69 LEU HA 1 69 LEU MD1 . . 3.900 3.857 3.824 3.929 0.029 2 0 "[ . 1 . 2]" 2
923 1 69 LEU HA 1 72 LEU MD2 . . 4.150 3.615 3.428 3.734 . 0 0 "[ . 1 . 2]" 2
924 1 44 ARG HD2 1 49 GLU HB2 . . 5.020 4.696 3.485 5.054 0.034 14 0 "[ . 1 . 2]" 2
925 1 44 ARG HD2 1 49 GLU HB3 . . 5.020 3.770 3.126 5.037 0.017 7 0 "[ . 1 . 2]" 2
926 1 60 HIS HA 1 61 PRO HG3 . . 4.590 4.322 4.315 4.340 . 0 0 "[ . 1 . 2]" 2
927 1 61 PRO HG2 1 62 GLY H . . 5.040 2.346 1.910 3.228 . 0 0 "[ . 1 . 2]" 2
928 1 60 HIS HA 1 61 PRO HG2 . . 4.370 4.229 4.185 4.294 . 0 0 "[ . 1 . 2]" 2
929 1 69 LEU HG 1 70 GLN H . . 5.500 4.702 4.521 4.772 . 0 0 "[ . 1 . 2]" 2
930 1 56 GLY HA2 1 69 LEU HG . . 5.060 3.203 2.846 3.520 . 0 0 "[ . 1 . 2]" 2
931 1 69 LEU H 1 69 LEU HG . . 3.830 2.183 1.989 2.270 . 0 0 "[ . 1 . 2]" 2
932 1 68 CYS HA 1 69 LEU HG . . 5.500 3.796 3.701 3.857 . 0 0 "[ . 1 . 2]" 2
933 1 69 LEU HA 1 69 LEU HG . . 3.930 3.374 3.306 3.479 . 0 0 "[ . 1 . 2]" 2
934 1 31 LEU H 1 31 LEU HG . . 4.670 4.232 3.608 4.623 . 0 0 "[ . 1 . 2]" 2
935 1 31 LEU HG 1 38 PHE HB2 . . 5.500 5.257 4.448 5.522 0.022 10 0 "[ . 1 . 2]" 2
936 1 31 LEU HG 1 40 ARG QG . . 4.870 3.802 2.637 4.722 . 0 0 "[ . 1 . 2]" 2
937 1 31 LEU HG 1 40 ARG HA . . 4.900 4.431 3.352 4.909 0.009 5 0 "[ . 1 . 2]" 2
938 1 69 LEU HB2 1 70 GLN HA . . 4.830 4.650 4.540 4.706 . 0 0 "[ . 1 . 2]" 2
939 1 70 GLN HA 1 70 GLN HG2 . . 3.960 3.376 2.904 3.854 . 0 0 "[ . 1 . 2]" 2
940 1 70 GLN HA 1 70 GLN HG3 . . 3.960 2.645 2.433 3.125 . 0 0 "[ . 1 . 2]" 2
941 1 31 LEU HG 1 32 CYS H . . 4.620 4.250 3.501 4.614 . 0 0 "[ . 1 . 2]" 2
942 1 44 ARG HG3 1 51 THR HA . . 4.420 3.336 2.653 4.177 . 0 0 "[ . 1 . 2]" 2
943 1 26 TYR HA 1 26 TYR QE . . 4.560 4.325 4.212 4.541 . 0 0 "[ . 1 . 2]" 2
944 1 26 TYR QE 1 29 GLU QG . . 4.640 4.356 4.093 4.635 . 0 0 "[ . 1 . 2]" 2
945 1 26 TYR QE 1 28 LEU HB2 . . 5.070 3.318 2.786 3.618 . 0 0 "[ . 1 . 2]" 2
946 1 26 TYR QE 1 28 LEU HB3 . . 5.070 4.901 4.383 5.086 0.016 20 0 "[ . 1 . 2]" 2
947 1 26 TYR QE 1 28 LEU HG . . 5.280 4.009 2.876 5.291 0.011 9 0 "[ . 1 . 2]" 2
948 1 70 GLN HG2 1 71 HIS HD2 . . 5.020 3.245 2.720 4.302 . 0 0 "[ . 1 . 2]" 2
949 1 70 GLN HG3 1 71 HIS HD2 . . 5.020 4.010 2.719 4.775 . 0 0 "[ . 1 . 2]" 2
950 1 71 HIS H 1 71 HIS HD2 . . 4.630 4.065 3.785 4.139 . 0 0 "[ . 1 . 2]" 2
951 1 71 HIS HA 1 71 HIS HD2 . . 3.150 2.188 2.164 2.301 . 0 0 "[ . 1 . 2]" 2
952 1 47 THR MG 1 71 HIS HD2 . . 4.580 3.893 3.818 4.148 . 0 0 "[ . 1 . 2]" 2
953 1 60 HIS HA 1 60 HIS HD2 . . 4.790 3.079 2.859 3.203 . 0 0 "[ . 1 . 2]" 2
954 1 60 HIS HD2 1 73 PRO HD2 . . 4.530 3.423 3.284 3.605 . 0 0 "[ . 1 . 2]" 2
955 1 60 HIS HD2 1 73 PRO HD3 . . 4.900 4.869 4.739 4.929 0.029 2 0 "[ . 1 . 2]" 2
956 1 60 HIS HD2 1 72 LEU HG . . 4.600 2.572 2.219 3.027 . 0 0 "[ . 1 . 2]" 2
957 1 60 HIS HD2 1 73 PRO HB2 . . 4.410 4.090 3.681 4.344 . 0 0 "[ . 1 . 2]" 2
958 1 60 HIS HD2 1 72 LEU MD1 . . 4.090 3.364 3.010 3.750 . 0 0 "[ . 1 . 2]" 2
959 1 17 LEU HG 1 18 CYS H . . 5.410 5.177 5.076 5.259 . 0 0 "[ . 1 . 2]" 2
960 1 16 ASP HA 1 17 LEU HG . . 5.020 4.385 4.102 4.602 . 0 0 "[ . 1 . 2]" 2
961 1 16 ASP QB 1 17 LEU HG . . 4.880 4.047 3.649 4.405 . 0 0 "[ . 1 . 2]" 2
962 1 18 CYS H 1 25 LEU HG . . 4.950 1.897 1.860 2.025 . 0 0 "[ . 1 . 2]" 2
963 1 25 LEU H 1 25 LEU HG . . 4.290 3.152 2.624 3.520 . 0 0 "[ . 1 . 2]" 2
964 1 25 LEU HG 1 37 PHE HB2 . . 5.020 4.634 4.441 5.020 0.000 15 0 "[ . 1 . 2]" 2
965 1 25 LEU HG 1 30 ARG HB2 . . 5.260 5.059 4.812 5.241 . 0 0 "[ . 1 . 2]" 2
966 1 54 PRO HB3 1 57 TYR QE . . 5.180 4.223 3.969 4.447 . 0 0 "[ . 1 . 2]" 2
967 1 52 LEU HB2 1 57 TYR QE . . 5.500 5.228 5.081 5.428 . 0 0 "[ . 1 . 2]" 2
968 1 43 PHE QE 1 57 TYR QE . . 4.340 3.322 2.993 3.808 . 0 0 "[ . 1 . 2]" 2
969 1 43 PHE HZ 1 57 TYR QE . . 4.340 2.541 1.996 3.106 . 0 0 "[ . 1 . 2]" 2
970 1 54 PRO HA 1 57 TYR QE . . 3.550 2.299 2.076 2.542 . 0 0 "[ . 1 . 2]" 2
971 1 54 PRO HB2 1 57 TYR QE . . 5.180 4.575 4.202 4.836 . 0 0 "[ . 1 . 2]" 2
972 1 33 VAL MG1 1 57 TYR QE . . 3.900 3.378 2.764 3.867 . 0 0 "[ . 1 . 2]" 2
973 1 33 VAL MG2 1 57 TYR QE . . 5.000 3.907 3.369 4.506 . 0 0 "[ . 1 . 2]" 2
974 1 42 CYS H 1 43 PHE HA . . 5.500 5.380 5.238 5.519 0.019 17 0 "[ . 1 . 2]" 2
975 1 43 PHE HA 1 52 LEU H . . 5.500 5.179 4.851 5.482 . 0 0 "[ . 1 . 2]" 2
976 1 43 PHE HA 1 43 PHE QD . . 3.530 2.480 2.028 3.045 . 0 0 "[ . 1 . 2]" 2
977 1 43 PHE HA 1 43 PHE QE . . 4.940 4.384 4.221 4.577 . 0 0 "[ . 1 . 2]" 2
978 1 20 LEU MD2 1 43 PHE HA . . 4.770 3.613 2.951 4.010 . 0 0 "[ . 1 . 2]" 2
979 1 43 PHE HA 1 52 LEU HB2 . . 5.500 4.941 4.551 5.356 . 0 0 "[ . 1 . 2]" 2
980 1 72 LEU H 1 72 LEU HG . . 4.490 4.485 4.475 4.498 0.008 17 0 "[ . 1 . 2]" 2
981 1 72 LEU HG 1 74 GLN QG . . 5.500 4.277 3.992 4.637 . 0 0 "[ . 1 . 2]" 2
982 1 67 TYR HA 1 67 TYR QD . . 3.870 3.083 2.883 3.190 . 0 0 "[ . 1 . 2]" 2
983 1 67 TYR HA 1 72 LEU HA . . 5.190 5.065 4.937 5.205 0.015 14 0 "[ . 1 . 2]" 2
984 1 67 TYR HA 1 71 HIS HB2 . . 5.040 4.669 4.589 4.772 . 0 0 "[ . 1 . 2]" 2
985 1 45 CYS HB2 1 67 TYR HA . . 4.570 4.267 4.199 4.325 . 0 0 "[ . 1 . 2]" 2
986 1 46 HIS HB2 1 67 TYR HA . . 5.040 4.476 4.278 4.702 . 0 0 "[ . 1 . 2]" 2
987 1 46 HIS HB3 1 67 TYR HA . . 4.990 3.809 3.751 3.894 . 0 0 "[ . 1 . 2]" 2
988 1 66 PHE HB3 1 67 TYR HA . . 5.500 4.449 4.401 4.509 . 0 0 "[ . 1 . 2]" 2
989 1 67 TYR HA 1 72 LEU MD1 . . 4.870 4.316 4.162 4.437 . 0 0 "[ . 1 . 2]" 2
990 1 52 LEU MD2 1 67 TYR HA . . 4.520 3.457 3.248 3.622 . 0 0 "[ . 1 . 2]" 2
991 1 45 CYS HB2 1 52 LEU HG . . 5.040 3.785 3.613 3.945 . 0 0 "[ . 1 . 2]" 2
992 1 51 THR HA 1 52 LEU HG . . 4.860 4.102 4.008 4.233 . 0 0 "[ . 1 . 2]" 2
993 1 60 HIS HB3 1 72 LEU MD2 . . 5.500 5.507 5.460 5.528 0.028 19 0 "[ . 1 . 2]" 2
994 1 72 LEU H 1 72 LEU MD2 . . 4.420 4.271 4.220 4.320 . 0 0 "[ . 1 . 2]" 2
995 1 60 HIS HA 1 72 LEU MD2 . . 4.930 3.857 3.599 4.010 . 0 0 "[ . 1 . 2]" 2
996 1 58 GLU HA 1 72 LEU MD2 . . 4.960 4.451 4.279 4.646 . 0 0 "[ . 1 . 2]" 2
997 1 72 LEU HA 1 72 LEU MD2 . . 3.980 3.898 3.874 3.919 . 0 0 "[ . 1 . 2]" 2
998 1 61 PRO HD2 1 72 LEU MD2 . . 4.860 4.697 4.344 4.870 0.010 15 0 "[ . 1 . 2]" 2
999 1 60 HIS HB2 1 72 LEU MD2 . . 4.700 4.138 4.092 4.184 . 0 0 "[ . 1 . 2]" 2
1000 1 67 TYR HB2 1 72 LEU MD2 . . 4.600 4.463 4.396 4.530 . 0 0 "[ . 1 . 2]" 2
1001 1 72 LEU MD2 1 73 PRO HD2 . . 4.550 4.307 4.230 4.386 . 0 0 "[ . 1 . 2]" 2
1002 1 58 GLU QG 1 72 LEU MD2 . . 3.530 3.138 2.685 3.521 . 0 0 "[ . 1 . 2]" 2
1003 1 58 GLU HB2 1 72 LEU MD2 . . 3.620 2.070 1.954 2.267 . 0 0 "[ . 1 . 2]" 2
1004 1 11 GLU HA 1 11 GLU QG . . 3.850 2.805 2.186 3.444 . 0 0 "[ . 1 . 2]" 2
1005 1 11 GLU HA 1 12 ALA MB . . 4.770 4.079 3.763 4.707 . 0 0 "[ . 1 . 2]" 2
1006 1 30 ARG H 1 30 ARG HG2 . . 4.830 2.634 2.298 2.959 . 0 0 "[ . 1 . 2]" 2
1007 1 25 LEU MD2 1 30 ARG HG2 . . 5.220 4.926 4.499 5.208 . 0 0 "[ . 1 . 2]" 2
1008 1 30 ARG HG2 1 31 LEU H . . 4.970 4.785 4.379 4.994 0.024 13 0 "[ . 1 . 2]" 2
1009 1 25 LEU MD1 1 30 ARG HG2 . . 5.430 5.322 5.130 5.442 0.012 18 0 "[ . 1 . 2]" 2
1010 1 30 ARG HG3 1 31 LEU H . . 4.970 3.891 3.624 4.067 . 0 0 "[ . 1 . 2]" 2
1011 1 25 LEU MD1 1 30 ARG HG3 . . 5.430 4.874 4.701 5.145 . 0 0 "[ . 1 . 2]" 2
1012 1 25 LEU MD2 1 30 ARG HG3 . . 5.220 4.882 4.369 5.140 . 0 0 "[ . 1 . 2]" 2
1013 1 37 PHE HA 1 37 PHE QD . . 3.990 2.810 1.997 3.189 . 0 0 "[ . 1 . 2]" 2
1014 1 32 CYS HA 1 37 PHE HA . . 3.980 2.986 2.531 3.231 . 0 0 "[ . 1 . 2]" 2
1015 1 25 LEU MD2 1 37 PHE HA . . 4.940 4.538 4.133 4.880 . 0 0 "[ . 1 . 2]" 2
1016 1 28 LEU HA 1 28 LEU HG . . 3.760 2.832 2.390 3.214 . 0 0 "[ . 1 . 2]" 2
1017 1 25 LEU MD1 1 30 ARG HA . . 3.930 3.650 3.368 3.877 . 0 0 "[ . 1 . 2]" 2
1018 1 25 LEU MD1 1 37 PHE HB2 . . 3.840 1.945 1.780 2.161 . 0 0 "[ . 1 . 2]" 2
1019 1 25 LEU MD1 1 37 PHE HB3 . . 4.030 1.994 1.816 2.226 . 0 0 "[ . 1 . 2]" 2
1020 1 58 GLU QG 1 69 LEU MD1 . . 4.700 3.859 3.578 4.360 . 0 0 "[ . 1 . 2]" 2
1021 1 31 LEU H 1 31 LEU MD2 . . 4.800 4.369 4.163 4.551 . 0 0 "[ . 1 . 2]" 2
1022 1 31 LEU MD2 1 43 PHE QD . . 4.820 2.567 1.965 3.717 . 0 0 "[ . 1 . 2]" 2
1023 1 31 LEU HA 1 31 LEU MD2 . . 4.060 3.561 2.530 3.825 . 0 0 "[ . 1 . 2]" 2
1024 1 31 LEU MD2 1 43 PHE HB3 . . 4.580 2.722 2.163 3.799 . 0 0 "[ . 1 . 2]" 2
1025 1 31 LEU MD2 1 43 PHE HB2 . . 4.410 2.859 2.334 4.076 . 0 0 "[ . 1 . 2]" 2
1026 1 31 LEU MD2 1 40 ARG QG . . 4.160 3.468 2.593 4.084 . 0 0 "[ . 1 . 2]" 2
1027 1 25 LEU MD1 1 37 PHE QD . . 4.860 3.184 2.833 3.431 . 0 0 "[ . 1 . 2]" 2
1028 1 17 LEU HA 1 25 LEU MD1 . . 4.990 2.446 2.216 2.824 . 0 0 "[ . 1 . 2]" 2
1029 1 18 CYS HB2 1 25 LEU MD1 . . 4.300 3.674 3.329 4.081 . 0 0 "[ . 1 . 2]" 2
1030 1 25 LEU MD1 1 30 ARG HB2 . . 4.310 2.815 2.614 2.996 . 0 0 "[ . 1 . 2]" 2
1031 1 17 LEU HB2 1 25 LEU MD1 . . 4.720 4.292 4.142 4.574 . 0 0 "[ . 1 . 2]" 2
1032 1 16 ASP HA 1 25 LEU MD1 . . 4.610 2.954 2.738 3.173 . 0 0 "[ . 1 . 2]" 2
1033 1 10 GLN HA 1 10 GLN QG . . 3.660 2.727 2.226 3.339 . 0 0 "[ . 1 . 2]" 2
1034 1 28 LEU HA 1 28 LEU MD1 . . 3.980 3.794 3.288 3.951 . 0 0 "[ . 1 . 2]" 2
1035 1 20 LEU MD1 1 43 PHE HA . . 4.770 3.132 2.009 4.520 . 0 0 "[ . 1 . 2]" 2
1036 1 20 LEU MD1 1 42 CYS HB3 . . 4.090 2.346 1.876 3.325 . 0 0 "[ . 1 . 2]" 2
1037 1 20 LEU MD1 1 42 CYS HB2 . . 4.490 3.280 2.047 4.580 0.090 4 0 "[ . 1 . 2]" 2
1038 1 17 LEU MD1 1 18 CYS H . . 5.110 5.073 5.002 5.138 0.028 7 0 "[ . 1 . 2]" 2
1039 1 17 LEU HA 1 17 LEU MD1 . . 4.210 3.975 3.928 4.019 . 0 0 "[ . 1 . 2]" 2
1040 1 17 LEU MD1 1 24 HIS HA . . 4.690 4.313 4.110 4.682 . 0 0 "[ . 1 . 2]" 2
1041 1 17 LEU MD1 1 22 GLY HA3 . . 4.860 4.591 3.673 4.876 0.016 10 0 "[ . 1 . 2]" 2
1042 1 17 LEU HB2 1 17 LEU MD1 . . 3.230 2.247 2.100 2.339 . 0 0 "[ . 1 . 2]" 2
1043 1 57 TYR HA 1 67 TYR H . . 5.500 5.496 5.397 5.524 0.024 10 0 "[ . 1 . 2]" 2
1044 1 57 TYR HA 1 68 CYS HA . . 3.790 2.737 2.640 2.791 . 0 0 "[ . 1 . 2]" 2
1045 1 57 TYR HA 1 69 LEU MD1 . . 4.990 3.818 3.740 3.915 . 0 0 "[ . 1 . 2]" 2
1046 1 52 LEU MD2 1 57 TYR HA . . 4.050 3.473 3.371 3.605 . 0 0 "[ . 1 . 2]" 2
1047 1 57 TYR HA 1 69 LEU HG . . 4.390 2.711 2.565 2.917 . 0 0 "[ . 1 . 2]" 2
1048 1 73 PRO HB2 1 74 GLN HA . . 5.320 4.014 3.959 4.106 . 0 0 "[ . 1 . 2]" 2
1049 1 74 GLN HA 1 75 THR MG . . 5.500 3.858 3.583 5.422 . 0 0 "[ . 1 . 2]" 2
1050 1 31 LEU MD1 1 43 PHE QD . . 4.820 4.059 2.479 4.797 . 0 0 "[ . 1 . 2]" 2
1051 1 31 LEU HA 1 31 LEU MD1 . . 4.060 2.860 2.427 3.753 . 0 0 "[ . 1 . 2]" 2
1052 1 31 LEU MD1 1 43 PHE HB3 . . 4.580 3.625 1.995 4.515 . 0 0 "[ . 1 . 2]" 2
1053 1 31 LEU MD1 1 43 PHE HB2 . . 4.410 3.533 1.937 4.393 . 0 0 "[ . 1 . 2]" 2
1054 1 31 LEU MD1 1 40 ARG QG . . 4.160 2.053 1.683 2.949 . 0 0 "[ . 1 . 2]" 2
1055 1 31 LEU MD1 1 33 VAL MG2 . . 4.820 4.402 3.648 4.788 . 0 0 "[ . 1 . 2]" 2
1056 1 19 ALA H 1 25 LEU MD2 . . 4.580 4.310 4.079 4.540 . 0 0 "[ . 1 . 2]" 2
1057 1 25 LEU MD2 1 30 ARG HA . . 4.050 2.170 1.884 2.448 . 0 0 "[ . 1 . 2]" 2
1058 1 18 CYS HA 1 25 LEU MD2 . . 3.700 2.529 2.140 2.821 . 0 0 "[ . 1 . 2]" 2
1059 1 25 LEU MD2 1 37 PHE HB2 . . 4.080 3.672 3.366 3.898 . 0 0 "[ . 1 . 2]" 2
1060 1 25 LEU MD2 1 37 PHE HB3 . . 3.980 2.911 2.358 3.371 . 0 0 "[ . 1 . 2]" 2
1061 1 16 ASP QB 1 25 LEU MD2 . . 5.500 5.445 4.909 5.537 0.037 4 0 "[ . 1 . 2]" 2
1062 1 18 CYS HB2 1 25 LEU MD2 . . 3.880 2.221 1.965 2.595 . 0 0 "[ . 1 . 2]" 2
1063 1 25 LEU MD2 1 30 ARG HB2 . . 4.160 2.979 2.347 3.294 . 0 0 "[ . 1 . 2]" 2
1064 1 25 LEU HB2 1 25 LEU MD2 . . 3.610 3.164 3.135 3.178 . 0 0 "[ . 1 . 2]" 2
1065 1 17 LEU HA 1 25 LEU MD2 . . 4.990 3.939 3.633 4.293 . 0 0 "[ . 1 . 2]" 2
1066 1 38 PHE HA 1 38 PHE QD . . 4.120 3.134 2.600 3.308 . 0 0 "[ . 1 . 2]" 2
1067 1 18 CYS HA 1 38 PHE HA . . 3.870 2.501 2.205 2.904 . 0 0 "[ . 1 . 2]" 2
1068 1 38 PHE HA 1 39 HIS HB2 . . 4.990 4.613 4.497 4.742 . 0 0 "[ . 1 . 2]" 2
1069 1 25 LEU MD2 1 38 PHE HA . . 4.080 2.976 2.520 3.348 . 0 0 "[ . 1 . 2]" 2
1070 1 25 LEU MD1 1 38 PHE HA . . 4.730 3.622 3.297 4.081 . 0 0 "[ . 1 . 2]" 2
1071 1 67 TYR QD 1 72 LEU MD1 . . 3.530 2.356 2.131 2.611 . 0 0 "[ . 1 . 2]" 2
1072 1 60 HIS HA 1 72 LEU MD1 . . 3.920 2.928 2.667 3.121 . 0 0 "[ . 1 . 2]" 2
1073 1 60 HIS HB3 1 72 LEU MD1 . . 4.150 3.590 3.462 3.828 . 0 0 "[ . 1 . 2]" 2
1074 1 72 LEU HA 1 72 LEU MD1 . . 3.460 2.546 2.398 2.675 . 0 0 "[ . 1 . 2]" 2
1075 1 67 TYR HB3 1 72 LEU MD1 . . 3.940 3.630 3.506 3.760 . 0 0 "[ . 1 . 2]" 2
1076 1 60 HIS HB2 1 72 LEU MD1 . . 3.820 2.148 1.972 2.463 . 0 0 "[ . 1 . 2]" 2
1077 1 67 TYR HB2 1 72 LEU MD1 . . 3.780 2.087 1.969 2.293 . 0 0 "[ . 1 . 2]" 2
1078 1 72 LEU MD1 1 73 PRO HD2 . . 3.740 2.690 2.524 2.888 . 0 0 "[ . 1 . 2]" 2
1079 1 58 GLU QG 1 72 LEU MD1 . . 4.100 3.945 3.725 4.118 0.018 19 0 "[ . 1 . 2]" 2
1080 1 58 GLU HB2 1 72 LEU MD1 . . 3.750 2.441 2.158 2.810 . 0 0 "[ . 1 . 2]" 2
1081 1 58 GLU HB3 1 72 LEU MD1 . . 3.750 2.448 2.055 2.864 . 0 0 "[ . 1 . 2]" 2
1082 1 72 LEU HB2 1 72 LEU MD1 . . 3.500 2.091 1.993 2.220 . 0 0 "[ . 1 . 2]" 2
1083 1 69 LEU HA 1 72 LEU MD1 . . 4.540 4.479 4.362 4.561 0.021 3 0 "[ . 1 . 2]" 2
1084 1 52 LEU MD1 1 66 PHE QD . . 4.390 3.641 3.456 3.778 . 0 0 "[ . 1 . 2]" 2
1085 1 43 PHE QD 1 52 LEU MD1 . . 4.670 3.271 1.976 3.798 . 0 0 "[ . 1 . 2]" 2
1086 1 52 LEU MD1 1 57 TYR HA . . 4.710 4.693 4.476 4.750 0.040 16 0 "[ . 1 . 2]" 2
1087 1 43 PHE QE 1 52 LEU MD1 . . 4.520 2.853 1.849 3.371 . 0 0 "[ . 1 . 2]" 2
1088 1 52 LEU HA 1 52 LEU MD1 . . 4.660 3.883 3.852 3.901 . 0 0 "[ . 1 . 2]" 2
1089 1 52 LEU MD1 1 57 TYR HB2 . . 3.910 2.770 2.536 2.957 . 0 0 "[ . 1 . 2]" 2
1090 1 52 LEU MD1 1 57 TYR HB3 . . 4.090 3.723 3.350 3.878 . 0 0 "[ . 1 . 2]" 2
1091 1 52 LEU MD1 1 66 PHE HB3 . . 3.790 2.305 2.052 2.523 . 0 0 "[ . 1 . 2]" 2
1092 1 52 LEU HB2 1 52 LEU MD1 . . 3.530 2.282 2.192 2.363 . 0 0 "[ . 1 . 2]" 2
1093 1 19 ALA MB 1 38 PHE HA . . 4.760 3.984 3.571 4.272 . 0 0 "[ . 1 . 2]" 2
1094 1 18 CYS HB3 1 38 PHE HA . . 4.790 4.560 4.317 4.825 0.035 10 0 "[ . 1 . 2]" 2
1095 1 38 PHE HA 1 42 CYS HB2 . . 5.080 4.629 4.413 4.924 . 0 0 "[ . 1 . 2]" 2
1096 1 36 HIS HA 1 37 PHE HB2 . . 4.930 4.522 4.424 4.659 . 0 0 "[ . 1 . 2]" 2
1097 1 20 LEU MD2 1 42 CYS HA . . 5.270 3.762 2.346 5.302 0.032 10 0 "[ . 1 . 2]" 2
1098 1 20 LEU MD2 1 42 CYS HB3 . . 4.090 2.595 1.854 3.472 . 0 0 "[ . 1 . 2]" 2
1099 1 20 LEU MD2 1 42 CYS HB2 . . 4.490 3.737 3.305 4.498 0.008 20 0 "[ . 1 . 2]" 2
1100 1 16 ASP HA 1 25 LEU HB3 . . 5.500 5.447 5.228 5.522 0.022 18 0 "[ . 1 . 2]" 2
1101 1 19 ALA MB 1 36 HIS HA . . 5.090 4.681 3.810 5.119 0.029 8 0 "[ . 1 . 2]" 2
1102 1 18 CYS H 1 25 LEU HA . . 4.980 4.361 4.196 4.565 . 0 0 "[ . 1 . 2]" 2
1103 1 19 ALA HA 1 22 GLY H . . 5.460 4.676 4.484 5.017 . 0 0 "[ . 1 . 2]" 2
1104 1 25 LEU HA 1 39 HIS HD2 . . 4.600 3.314 2.951 3.609 . 0 0 "[ . 1 . 2]" 2
1105 1 25 LEU HA 1 25 LEU MD1 . . 3.900 3.882 3.824 3.939 0.039 19 0 "[ . 1 . 2]" 2
1106 1 25 LEU HA 1 25 LEU MD2 . . 3.760 2.280 2.103 2.482 . 0 0 "[ . 1 . 2]" 2
1107 1 51 THR HB 1 53 TRP HZ2 . . 4.900 3.458 3.028 3.748 . 0 0 "[ . 1 . 2]" 2
1108 1 51 THR MG 1 53 TRP HZ2 . . 4.350 4.215 3.755 4.364 0.014 11 0 "[ . 1 . 2]" 2
1109 1 28 LEU HA 1 28 LEU MD2 . . 3.980 2.366 1.995 3.511 . 0 0 "[ . 1 . 2]" 2
1110 1 17 LEU HA 1 25 LEU HB2 . . 4.900 3.489 3.183 3.802 . 0 0 "[ . 1 . 2]" 2
1111 1 60 HIS HB2 1 72 LEU HA . . 4.990 3.942 3.828 4.066 . 0 0 "[ . 1 . 2]" 2
1112 1 72 LEU HA 1 73 PRO HD2 . . 3.360 1.957 1.936 1.974 . 0 0 "[ . 1 . 2]" 2
1113 1 72 LEU HA 1 73 PRO HD3 . . 3.570 2.348 2.326 2.383 . 0 0 "[ . 1 . 2]" 2
1114 1 72 LEU HA 1 72 LEU HG . . 4.220 2.744 2.683 2.795 . 0 0 "[ . 1 . 2]" 2
1115 1 72 LEU HA 1 73 PRO HG3 . . 4.550 4.321 4.317 4.330 . 0 0 "[ . 1 . 2]" 2
1116 1 17 LEU HA 1 18 CYS HB2 . . 4.920 4.624 4.494 4.891 . 0 0 "[ . 1 . 2]" 2
1117 1 17 LEU HA 1 18 CYS HB3 . . 4.780 4.705 4.435 4.831 0.051 13 0 "[ . 1 . 2]" 2
1118 1 45 CYS HB3 1 50 ALA HA . . 5.040 4.820 4.769 4.872 . 0 0 "[ . 1 . 2]" 2
1119 1 52 LEU H 1 52 LEU MD2 . . 4.140 3.398 3.280 3.552 . 0 0 "[ . 1 . 2]" 2
1120 1 52 LEU MD2 1 66 PHE QD . . 5.500 5.261 5.052 5.471 . 0 0 "[ . 1 . 2]" 2
1121 1 52 LEU MD2 1 68 CYS HA . . 3.550 2.442 2.300 2.539 . 0 0 "[ . 1 . 2]" 2
1122 1 52 LEU HA 1 52 LEU MD2 . . 3.320 1.959 1.940 1.990 . 0 0 "[ . 1 . 2]" 2
1123 1 45 CYS HB3 1 52 LEU MD2 . . 3.860 3.706 3.549 3.807 . 0 0 "[ . 1 . 2]" 2
1124 1 52 LEU MD2 1 68 CYS HB3 . . 3.170 2.561 2.408 2.635 . 0 0 "[ . 1 . 2]" 2
1125 1 52 LEU MD2 1 57 TYR HB3 . . 3.760 2.758 2.303 2.960 . 0 0 "[ . 1 . 2]" 2
1126 1 52 LEU MD2 1 66 PHE HB3 . . 4.810 4.193 4.007 4.500 . 0 0 "[ . 1 . 2]" 2
1127 1 50 ALA MB 1 52 LEU MD2 . . 4.090 3.426 3.236 3.661 . 0 0 "[ . 1 . 2]" 2
1128 1 51 THR HA 1 52 LEU MD2 . . 4.790 4.795 4.758 4.828 0.038 20 0 "[ . 1 . 2]" 2
1129 1 17 LEU MD2 1 18 CYS H . . 4.170 3.974 3.725 4.137 . 0 0 "[ . 1 . 2]" 2
1130 1 16 ASP QB 1 17 LEU MD2 . . 4.950 3.435 3.038 4.145 . 0 0 "[ . 1 . 2]" 2
1131 1 50 ALA HA 1 51 THR MG . . 5.500 5.488 5.472 5.511 0.011 15 0 "[ . 1 . 2]" 2
1132 1 51 THR MG 1 52 LEU H . . 4.080 3.160 2.759 3.356 . 0 0 "[ . 1 . 2]" 2
1133 1 43 PHE HB3 1 51 THR MG . . 5.030 4.283 3.782 4.878 . 0 0 "[ . 1 . 2]" 2
1134 1 51 THR MG 1 52 LEU HB2 . . 4.870 4.638 4.338 4.786 . 0 0 "[ . 1 . 2]" 2
1135 1 16 ASP H 1 17 LEU MD2 . . 4.880 3.732 2.881 4.576 . 0 0 "[ . 1 . 2]" 2
1136 1 17 LEU HA 1 17 LEU MD2 . . 3.520 2.335 2.104 2.670 . 0 0 "[ . 1 . 2]" 2
1137 1 17 LEU MD2 1 25 LEU HA . . 5.500 5.200 4.990 5.416 . 0 0 "[ . 1 . 2]" 2
1138 1 17 LEU MD2 1 25 LEU MD1 . . 4.200 3.958 3.691 4.185 . 0 0 "[ . 1 . 2]" 2
1139 1 17 LEU MD2 1 24 HIS HB3 . . 4.860 4.341 4.139 4.602 . 0 0 "[ . 1 . 2]" 2
1140 1 51 THR MG 1 53 TRP HH2 . . 4.930 3.921 3.431 4.180 . 0 0 "[ . 1 . 2]" 2
1141 1 61 PRO HD2 1 75 THR MG . . 5.000 4.564 3.967 5.007 0.007 2 0 "[ . 1 . 2]" 2
1142 1 61 PRO HG2 1 75 THR MG . . 4.810 3.533 2.792 3.932 . 0 0 "[ . 1 . 2]" 2
1143 1 61 PRO HG3 1 75 THR MG . . 4.820 4.515 3.617 4.800 . 0 0 "[ . 1 . 2]" 2
1144 1 69 LEU HA 1 69 LEU MD2 . . 3.900 2.036 1.969 2.238 . 0 0 "[ . 1 . 2]" 2
1145 1 57 TYR HA 1 69 LEU MD2 . . 4.990 2.239 2.030 2.476 . 0 0 "[ . 1 . 2]" 2
1146 1 58 GLU QG 1 69 LEU MD2 . . 4.700 2.260 1.849 2.722 . 0 0 "[ . 1 . 2]" 2
1147 1 69 LEU HB2 1 69 LEU MD2 . . 3.460 3.188 3.183 3.194 . 0 0 "[ . 1 . 2]" 2
1148 1 47 THR H 1 47 THR MG . . 3.870 3.749 3.734 3.764 . 0 0 "[ . 1 . 2]" 2
1149 1 47 THR MG 1 71 HIS HA . . 4.650 4.471 4.434 4.514 . 0 0 "[ . 1 . 2]" 2
1150 1 47 THR MG 1 71 HIS HB3 . . 3.920 3.222 3.145 3.299 . 0 0 "[ . 1 . 2]" 2
1151 1 47 THR MG 1 71 HIS HB2 . . 4.260 4.019 3.949 4.087 . 0 0 "[ . 1 . 2]" 2
1152 1 47 THR MG 1 48 CYS HB3 . . 3.980 3.097 3.036 3.200 . 0 0 "[ . 1 . 2]" 2
1153 1 33 VAL MG1 1 66 PHE QE . . 4.000 2.517 2.173 3.170 . 0 0 "[ . 1 . 2]" 2
1154 1 33 VAL MG1 1 66 PHE HZ . . 3.910 2.086 1.869 2.998 . 0 0 "[ . 1 . 2]" 2
1155 1 33 VAL MG1 1 38 PHE QE . . 4.400 3.488 2.712 4.160 . 0 0 "[ . 1 . 2]" 2
1156 1 33 VAL MG1 1 43 PHE QE . . 4.120 3.115 2.535 3.803 . 0 0 "[ . 1 . 2]" 2
1157 1 33 VAL MG1 1 43 PHE HZ . . 3.970 3.099 2.482 3.693 . 0 0 "[ . 1 . 2]" 2
1158 1 33 VAL MG1 1 34 ASN HB3 . . 4.660 4.326 4.106 4.616 . 0 0 "[ . 1 . 2]" 2
1159 1 33 VAL MG1 1 34 ASN HB2 . . 4.130 2.993 2.585 3.441 . 0 0 "[ . 1 . 2]" 2
1160 1 53 TRP HB2 1 54 PRO HD2 . . 4.750 3.230 3.061 3.375 . 0 0 "[ . 1 . 2]" 2
1161 1 53 TRP HA 1 54 PRO HD2 . . 3.980 2.427 2.407 2.456 . 0 0 "[ . 1 . 2]" 2
1162 1 53 TRP HA 1 54 PRO HD3 . . 3.980 2.310 2.302 2.322 . 0 0 "[ . 1 . 2]" 2
1163 1 61 PRO HD3 1 62 GLY H . . 4.760 3.859 3.839 4.004 . 0 0 "[ . 1 . 2]" 2
1164 1 60 HIS HB2 1 61 PRO HD2 . . 4.820 4.018 3.824 4.171 . 0 0 "[ . 1 . 2]" 2
1165 1 49 GLU HA 1 50 ALA MB . . 4.890 4.528 4.486 4.655 . 0 0 "[ . 1 . 2]" 2
1166 1 50 ALA MB 1 51 THR HA . . 5.230 4.571 4.445 4.640 . 0 0 "[ . 1 . 2]" 2
1167 1 45 CYS HB3 1 50 ALA MB . . 4.030 3.332 3.207 3.487 . 0 0 "[ . 1 . 2]" 2
1168 1 45 CYS HB2 1 50 ALA MB . . 4.080 2.849 2.747 3.039 . 0 0 "[ . 1 . 2]" 2
1169 1 50 ALA MB 1 52 LEU HG . . 4.760 4.592 4.382 4.790 0.030 18 0 "[ . 1 . 2]" 2
1170 1 61 PRO HD3 1 72 LEU MD1 . . 4.860 4.608 4.476 4.764 . 0 0 "[ . 1 . 2]" 2
1171 1 60 HIS HA 1 61 PRO HD3 . . 3.240 2.283 2.256 2.312 . 0 0 "[ . 1 . 2]" 2
1172 1 60 HIS HA 1 61 PRO HD2 . . 3.300 2.045 1.989 2.127 . 0 0 "[ . 1 . 2]" 2
1173 1 61 PRO HD2 1 62 GLY H . . 4.700 2.691 2.648 2.948 . 0 0 "[ . 1 . 2]" 2
1174 1 60 HIS HB3 1 61 PRO HD2 . . 4.600 4.065 3.919 4.204 . 0 0 "[ . 1 . 2]" 2
1175 1 61 PRO HD2 1 72 LEU MD1 . . 4.970 4.498 4.303 4.695 . 0 0 "[ . 1 . 2]" 2
1176 1 67 TYR QD 1 73 PRO HD2 . . 4.070 3.237 2.764 3.589 . 0 0 "[ . 1 . 2]" 2
1177 1 60 HIS HB2 1 73 PRO HD2 . . 4.750 2.549 2.469 2.698 . 0 0 "[ . 1 . 2]" 2
1178 1 72 LEU HG 1 73 PRO HD2 . . 4.320 2.716 2.620 2.802 . 0 0 "[ . 1 . 2]" 2
1179 1 67 TYR HB3 1 73 PRO HD2 . . 4.860 4.205 4.073 4.351 . 0 0 "[ . 1 . 2]" 2
1180 1 67 TYR QD 1 73 PRO HD3 . . 4.280 3.843 3.550 4.064 . 0 0 "[ . 1 . 2]" 2
1181 1 60 HIS HB3 1 73 PRO HD3 . . 5.340 5.108 4.999 5.277 . 0 0 "[ . 1 . 2]" 2
1182 1 60 HIS HB2 1 73 PRO HD3 . . 4.580 4.205 4.101 4.380 . 0 0 "[ . 1 . 2]" 2
1183 1 72 LEU HG 1 73 PRO HD3 . . 4.300 4.148 4.067 4.239 . 0 0 "[ . 1 . 2]" 2
1184 1 72 LEU MD1 1 73 PRO HD3 . . 4.260 4.022 3.882 4.194 . 0 0 "[ . 1 . 2]" 2
1185 1 33 VAL MG2 1 38 PHE HZ . . 5.500 5.276 4.784 5.502 0.002 20 0 "[ . 1 . 2]" 2
1186 1 33 VAL MG2 1 66 PHE HZ . . 5.500 4.441 3.981 5.188 . 0 0 "[ . 1 . 2]" 2
1187 1 33 VAL MG2 1 38 PHE QE . . 4.480 3.488 3.157 3.768 . 0 0 "[ . 1 . 2]" 2
1188 1 33 VAL MG2 1 38 PHE QD . . 4.150 2.747 2.227 3.432 . 0 0 "[ . 1 . 2]" 2
1189 1 33 VAL MG2 1 43 PHE QD . . 4.900 3.782 3.200 4.241 . 0 0 "[ . 1 . 2]" 2
1190 1 33 VAL MG2 1 43 PHE QE . . 4.270 2.933 1.816 3.713 . 0 0 "[ . 1 . 2]" 2
1191 1 33 VAL MG2 1 43 PHE HZ . . 4.280 3.151 2.548 3.939 . 0 0 "[ . 1 . 2]" 2
1192 1 32 CYS HA 1 33 VAL MG2 . . 4.870 3.848 3.577 4.003 . 0 0 "[ . 1 . 2]" 2
1193 1 33 VAL MG2 1 34 ASN HB2 . . 5.500 5.236 5.058 5.433 . 0 0 "[ . 1 . 2]" 2
1194 1 33 VAL MG2 1 36 HIS HB2 . . 5.500 5.002 4.628 5.337 . 0 0 "[ . 1 . 2]" 2
1195 1 33 VAL MG2 1 43 PHE HB2 . . 5.140 4.889 4.228 5.143 0.003 20 0 "[ . 1 . 2]" 2
1196 1 31 LEU HG 1 33 VAL MG2 . . 4.330 4.102 2.594 4.418 0.088 7 0 "[ . 1 . 2]" 2
1197 1 31 LEU MD2 1 33 VAL MG2 . . 4.820 2.986 1.893 3.545 . 0 0 "[ . 1 . 2]" 2
1198 1 14 ALA MB 1 15 GLY QA . . 5.040 3.876 3.522 4.288 . 0 0 "[ . 1 . 2]" 2
1199 1 14 ALA MB 1 16 ASP H . . 5.020 3.233 2.480 4.921 . 0 0 "[ . 1 . 2]" 2
1200 1 11 GLU QG 1 12 ALA MB . . 4.650 3.836 2.536 4.645 . 0 0 "[ . 1 . 2]" 2
1201 1 14 ALA MB 1 16 ASP QB . . 4.350 3.648 3.030 4.202 . 0 0 "[ . 1 . 2]" 2
1202 1 19 ALA MB 1 38 PHE HZ . . 4.160 3.144 2.604 3.478 . 0 0 "[ . 1 . 2]" 2
1203 1 19 ALA MB 1 38 PHE QE . . 3.760 1.949 1.758 2.277 . 0 0 "[ . 1 . 2]" 2
1204 1 19 ALA MB 1 38 PHE QD . . 4.130 2.715 2.467 3.129 . 0 0 "[ . 1 . 2]" 2
1205 1 19 ALA MB 1 36 HIS HB3 . . 3.800 3.031 2.396 3.369 . 0 0 "[ . 1 . 2]" 2
1206 1 19 ALA MB 1 20 LEU HB2 . . 4.890 4.501 4.251 4.763 . 0 0 "[ . 1 . 2]" 2
1207 1 45 CYS HA 1 52 LEU MD1 . . 3.910 2.287 2.064 2.505 . 0 0 "[ . 1 . 2]" 2
1208 1 45 CYS HB2 1 52 LEU MD1 . . 4.830 3.945 3.709 4.152 . 0 0 "[ . 1 . 2]" 2
1209 1 45 CYS HB3 1 52 LEU MD1 . . 5.160 4.785 4.553 4.939 . 0 0 "[ . 1 . 2]" 2
1210 1 52 LEU HA 1 53 TRP HB2 . . 5.170 4.897 4.755 5.007 . 0 0 "[ . 1 . 2]" 2
1211 1 59 GLN HE21 1 64 GLY HA3 . . 4.220 3.705 3.519 4.013 . 0 0 "[ . 1 . 2]" 2
1212 1 59 GLN HE21 1 64 GLY HA2 . . 4.220 2.642 2.383 2.991 . 0 0 "[ . 1 . 2]" 2
1213 1 66 PHE HA 1 67 TYR QD . . 4.620 3.388 3.143 3.755 . 0 0 "[ . 1 . 2]" 2
1214 1 52 LEU MD1 1 66 PHE HB2 . . 3.970 3.009 2.707 3.247 . 0 0 "[ . 1 . 2]" 2
1215 1 52 LEU MD1 1 67 TYR HA . . 4.740 3.335 3.050 3.501 . 0 0 "[ . 1 . 2]" 2
1216 1 52 LEU MD1 1 68 CYS HA . . 4.950 4.187 3.908 4.360 . 0 0 "[ . 1 . 2]" 2
1217 1 69 LEU HB3 1 69 LEU MD1 . . 3.370 2.310 2.225 2.386 . 0 0 "[ . 1 . 2]" 2
1218 1 69 LEU HB3 1 69 LEU MD2 . . 3.370 2.471 2.410 2.512 . 0 0 "[ . 1 . 2]" 2
1219 1 72 LEU HB2 1 72 LEU MD2 . . 3.390 2.681 2.600 2.723 . 0 0 "[ . 1 . 2]" 2
1220 1 72 LEU HB3 1 72 LEU MD2 . . 2.900 2.078 1.965 2.185 . 0 0 "[ . 1 . 2]" 2
1221 1 58 GLU HB3 1 72 LEU MD2 . . 3.620 2.348 1.968 2.726 . 0 0 "[ . 1 . 2]" 2
1222 1 52 LEU MD1 1 57 TYR QD . . 4.110 2.789 2.526 3.068 . 0 0 "[ . 1 . 2]" 2
1223 1 70 GLN HB2 1 71 HIS HD2 . . 5.500 5.421 4.936 5.520 0.020 2 0 "[ . 1 . 2]" 2
1224 1 70 GLN HB3 1 71 HIS HD2 . . 5.500 4.195 3.368 4.382 . 0 0 "[ . 1 . 2]" 2
1225 1 19 ALA MB 1 36 HIS HD2 . . 5.500 5.196 4.620 5.473 . 0 0 "[ . 1 . 2]" 2
1226 1 52 LEU MD2 1 53 TRP HD1 . . 5.070 4.707 4.497 5.052 . 0 0 "[ . 1 . 2]" 2
1227 1 43 PHE QE 1 52 LEU HB3 . . 5.150 3.080 2.301 3.582 . 0 0 "[ . 1 . 2]" 2
1228 1 52 LEU MD1 1 57 TYR QE . . 5.120 4.146 3.940 4.391 . 0 0 "[ . 1 . 2]" 2
1229 1 12 ALA MB 1 13 GLY HA3 . . 5.310 4.441 3.848 5.039 . 0 0 "[ . 1 . 2]" 2
1230 1 13 GLY HA3 1 14 ALA MB . . 5.500 4.323 3.714 5.030 . 0 0 "[ . 1 . 2]" 2
1231 1 52 LEU MD1 1 66 PHE QE . . 5.360 5.255 5.047 5.376 0.016 20 0 "[ . 1 . 2]" 2
1232 1 59 GLN HB3 1 66 PHE HZ . . 5.300 4.609 3.969 4.946 . 0 0 "[ . 1 . 2]" 2
1233 1 59 GLN HB2 1 66 PHE HZ . . 5.300 3.720 3.283 3.900 . 0 0 "[ . 1 . 2]" 2
1234 1 34 ASN HB3 1 66 PHE HZ . . 5.340 5.025 4.515 5.353 0.013 14 0 "[ . 1 . 2]" 2
1235 1 15 GLY QA 1 17 LEU HG . . 5.500 3.685 2.685 4.368 . 0 0 "[ . 1 . 2]" 2
1236 1 57 TYR HA 1 69 LEU HA . . 5.120 4.390 4.247 4.541 . 0 0 "[ . 1 . 2]" 2
1237 1 9 HIS HA 1 10 GLN QB . . 5.340 4.294 3.870 5.294 . 0 0 "[ . 1 . 2]" 2
1238 1 11 GLU QB 1 12 ALA MB . . 4.730 4.293 3.244 4.782 0.052 10 0 "[ . 1 . 2]" 2
1239 1 12 ALA MB 1 13 GLY QA . . 4.620 3.785 3.440 4.229 . 0 0 "[ . 1 . 2]" 2
1240 1 17 LEU HB2 1 22 GLY QA . . 4.320 3.385 2.916 3.561 . 0 0 "[ . 1 . 2]" 2
1241 1 17 LEU HB3 1 22 GLY QA . . 4.100 3.347 2.330 3.652 . 0 0 "[ . 1 . 2]" 2
1242 1 17 LEU MD1 1 22 GLY QA . . 4.040 3.880 3.436 4.060 0.020 7 0 "[ . 1 . 2]" 2
1243 1 17 LEU MD2 1 22 GLY QA . . 5.340 4.829 3.924 5.103 . 0 0 "[ . 1 . 2]" 2
1244 1 18 CYS H 1 22 GLY QA . . 4.680 4.005 2.617 4.403 . 0 0 "[ . 1 . 2]" 2
1245 1 19 ALA H 1 20 LEU QD . . 5.130 3.805 3.488 4.523 . 0 0 "[ . 1 . 2]" 2
1246 1 19 ALA HA 1 20 LEU QD . . 5.280 4.960 4.447 5.418 0.138 15 0 "[ . 1 . 2]" 2
1247 1 20 LEU QD 1 21 CYS H . . 4.010 3.800 3.592 4.029 0.019 13 0 "[ . 1 . 2]" 2
1248 1 20 LEU QD 1 38 PHE HB3 . . 4.710 2.589 1.972 3.157 . 0 0 "[ . 1 . 2]" 2
1249 1 20 LEU QD 1 38 PHE QD . . 4.630 1.969 1.777 2.503 . 0 0 "[ . 1 . 2]" 2
1250 1 20 LEU QD 1 42 CYS H . . 5.420 4.432 3.973 5.374 . 0 0 "[ . 1 . 2]" 2
1251 1 20 LEU QD 1 42 CYS HA . . 4.520 3.202 2.329 4.128 . 0 0 "[ . 1 . 2]" 2
1252 1 20 LEU QD 1 42 CYS HB2 . . 3.750 2.920 2.043 3.732 . 0 0 "[ . 1 . 2]" 2
1253 1 20 LEU QD 1 42 CYS HB3 . . 3.580 2.104 1.726 2.941 . 0 0 "[ . 1 . 2]" 2
1254 1 20 LEU QD 1 43 PHE H . . 4.310 3.445 2.698 4.270 . 0 0 "[ . 1 . 2]" 2
1255 1 20 LEU QD 1 43 PHE HA . . 4.040 2.775 2.001 3.496 . 0 0 "[ . 1 . 2]" 2
1256 1 20 LEU QD 1 43 PHE QD . . 4.870 3.285 2.631 3.812 . 0 0 "[ . 1 . 2]" 2
1257 1 20 LEU QD 1 44 ARG H . . 4.720 3.420 2.857 3.799 . 0 0 "[ . 1 . 2]" 2
1258 1 21 CYS H 1 22 GLY QA . . 4.460 4.122 3.989 4.329 . 0 0 "[ . 1 . 2]" 2
1259 1 21 CYS HB3 1 23 GLU QG . . 4.500 4.167 3.795 4.572 0.072 13 0 "[ . 1 . 2]" 2
1260 1 23 GLU H 1 23 GLU QB . . 3.140 2.451 2.217 2.619 . 0 0 "[ . 1 . 2]" 2
1261 1 23 GLU H 1 23 GLU QG . . 3.520 2.856 2.326 3.149 . 0 0 "[ . 1 . 2]" 2
1262 1 23 GLU QB 1 24 HIS H . . 3.060 2.094 1.936 2.235 . 0 0 "[ . 1 . 2]" 2
1263 1 23 GLU QB 1 24 HIS QB . . 4.270 3.569 3.144 3.806 . 0 0 "[ . 1 . 2]" 2
1264 1 23 GLU QB 1 39 HIS HE1 . . 3.110 1.989 1.922 2.528 . 0 0 "[ . 1 . 2]" 2
1265 1 23 GLU QG 1 24 HIS H . . 4.330 3.936 3.643 4.256 . 0 0 "[ . 1 . 2]" 2
1266 1 23 GLU QG 1 39 HIS HE1 . . 4.140 3.492 2.910 4.093 . 0 0 "[ . 1 . 2]" 2
1267 1 24 HIS H 1 24 HIS QB . . 2.910 2.308 2.113 2.950 0.040 19 0 "[ . 1 . 2]" 2
1268 1 24 HIS QB 1 25 LEU H . . 3.780 3.369 2.752 3.689 . 0 0 "[ . 1 . 2]" 2
1269 1 25 LEU MD1 1 30 ARG QG . . 4.600 4.509 4.400 4.634 0.034 15 0 "[ . 1 . 2]" 2
1270 1 25 LEU MD2 1 30 ARG QG . . 4.560 4.367 3.948 4.548 . 0 0 "[ . 1 . 2]" 2
1271 1 25 LEU MD2 1 31 LEU QB . . 5.340 4.627 4.004 5.092 . 0 0 "[ . 1 . 2]" 2
1272 1 26 TYR HA 1 27 VAL QG . . 4.770 3.617 3.413 4.100 . 0 0 "[ . 1 . 2]" 2
1273 1 26 TYR QB 1 27 VAL H . . 4.030 3.149 2.736 3.521 . 0 0 "[ . 1 . 2]" 2
1274 1 26 TYR QB 1 27 VAL QG . . 4.210 3.931 3.622 4.242 0.032 11 0 "[ . 1 . 2]" 2
1275 1 26 TYR QB 1 29 GLU H . . 5.250 2.353 1.859 2.998 . 0 0 "[ . 1 . 2]" 2
1276 1 26 TYR QB 1 29 GLU HB2 . . 4.880 2.107 1.944 2.498 . 0 0 "[ . 1 . 2]" 2
1277 1 26 TYR QD 1 27 VAL QG . . 4.730 3.225 2.831 3.753 . 0 0 "[ . 1 . 2]" 2
1278 1 26 TYR QD 1 28 LEU QD . . 4.210 3.354 2.816 3.998 . 0 0 "[ . 1 . 2]" 2
1279 1 26 TYR QE 1 28 LEU QB . . 4.340 3.267 2.756 3.545 . 0 0 "[ . 1 . 2]" 2
1280 1 26 TYR QE 1 28 LEU QD . . 4.150 2.653 2.111 3.515 . 0 0 "[ . 1 . 2]" 2
1281 1 27 VAL H 1 27 VAL QG . . 3.770 2.013 1.831 2.374 . 0 0 "[ . 1 . 2]" 2
1282 1 27 VAL HA 1 30 ARG QG . . 4.550 3.235 2.798 3.674 . 0 0 "[ . 1 . 2]" 2
1283 1 27 VAL HB 1 28 LEU QD . . 5.440 3.917 2.043 5.127 . 0 0 "[ . 1 . 2]" 2
1284 1 27 VAL QG 1 28 LEU H . . 3.830 2.606 2.020 3.218 . 0 0 "[ . 1 . 2]" 2
1285 1 27 VAL QG 1 28 LEU HA . . 4.380 3.586 3.211 3.918 . 0 0 "[ . 1 . 2]" 2
1286 1 27 VAL QG 1 28 LEU HG . . 3.840 2.491 1.972 3.094 . 0 0 "[ . 1 . 2]" 2
1287 1 27 VAL QG 1 29 GLU H . . 4.710 4.161 3.912 4.490 . 0 0 "[ . 1 . 2]" 2
1288 1 27 VAL QG 1 29 GLU QG . . 5.020 4.890 4.619 5.136 0.116 11 0 "[ . 1 . 2]" 2
1289 1 27 VAL QG 1 30 ARG QG . . 4.850 4.137 3.758 4.534 . 0 0 "[ . 1 . 2]" 2
1290 1 27 VAL QG 1 30 ARG QD . . 4.440 3.828 3.215 4.437 . 0 0 "[ . 1 . 2]" 2
1291 1 28 LEU H 1 28 LEU QB . . 3.420 2.409 2.187 2.607 . 0 0 "[ . 1 . 2]" 2
1292 1 28 LEU H 1 28 LEU QD . . 4.610 3.252 2.065 3.754 . 0 0 "[ . 1 . 2]" 2
1293 1 28 LEU HA 1 28 LEU QD . . 2.980 2.283 1.989 3.036 0.056 20 0 "[ . 1 . 2]" 2
1294 1 28 LEU QB 1 28 LEU QD . . 2.720 1.883 1.772 1.932 . 0 0 "[ . 1 . 2]" 2
1295 1 28 LEU QB 1 29 GLU H . . 3.910 2.999 2.072 3.740 . 0 0 "[ . 1 . 2]" 2
1296 1 28 LEU QB 1 29 GLU HA . . 4.740 4.051 3.659 4.316 . 0 0 "[ . 1 . 2]" 2
1297 1 28 LEU QB 1 29 GLU HB2 . . 5.340 4.881 4.541 5.159 . 0 0 "[ . 1 . 2]" 2
1298 1 28 LEU QB 1 29 GLU QG . . 3.860 3.097 2.762 3.278 . 0 0 "[ . 1 . 2]" 2
1299 1 28 LEU QD 1 29 GLU H . . 4.890 4.167 3.678 4.505 . 0 0 "[ . 1 . 2]" 2
1300 1 29 GLU HB3 1 40 ARG QB . . 5.340 4.065 2.832 5.045 . 0 0 "[ . 1 . 2]" 2
1301 1 29 GLU QG 1 40 ARG QB . . 5.340 4.590 3.642 5.183 . 0 0 "[ . 1 . 2]" 2
1302 1 30 ARG H 1 30 ARG QG . . 4.240 2.578 2.270 2.885 . 0 0 "[ . 1 . 2]" 2
1303 1 30 ARG QG 1 31 LEU QB . . 5.180 5.019 4.716 5.163 . 0 0 "[ . 1 . 2]" 2
1304 1 30 ARG QG 1 32 CYS H . . 5.050 3.566 3.209 3.798 . 0 0 "[ . 1 . 2]" 2
1305 1 30 ARG QG 1 37 PHE HB3 . . 5.320 4.096 3.663 4.572 . 0 0 "[ . 1 . 2]" 2
1306 1 30 ARG QG 1 38 PHE H . . 5.340 5.068 4.786 5.357 0.017 19 0 "[ . 1 . 2]" 2
1307 1 31 LEU H 1 31 LEU QB . . 3.180 2.333 2.237 2.560 . 0 0 "[ . 1 . 2]" 2
1308 1 31 LEU H 1 31 LEU QD . . 4.160 2.904 2.328 3.915 . 0 0 "[ . 1 . 2]" 2
1309 1 31 LEU HA 1 31 LEU QD . . 3.450 2.623 2.401 2.856 . 0 0 "[ . 1 . 2]" 2
1310 1 31 LEU HA 1 32 CYS QB . . 4.850 4.427 4.097 4.653 . 0 0 "[ . 1 . 2]" 2
1311 1 31 LEU QB 1 32 CYS H . . 4.020 3.690 3.575 3.945 . 0 0 "[ . 1 . 2]" 2
1312 1 31 LEU QB 1 33 VAL HB . . 5.340 4.384 4.063 5.095 . 0 0 "[ . 1 . 2]" 2
1313 1 31 LEU QB 1 33 VAL MG2 . . 4.140 2.351 1.980 2.919 . 0 0 "[ . 1 . 2]" 2
1314 1 31 LEU QB 1 37 PHE HB3 . . 5.340 4.846 4.665 5.093 . 0 0 "[ . 1 . 2]" 2
1315 1 31 LEU QB 1 38 PHE H . . 4.120 2.503 2.047 2.778 . 0 0 "[ . 1 . 2]" 2
1316 1 31 LEU QB 1 40 ARG HA . . 4.460 4.269 2.963 4.533 0.073 4 0 "[ . 1 . 2]" 2
1317 1 31 LEU QB 1 40 ARG QG . . 4.580 4.335 2.831 4.611 0.031 4 0 "[ . 1 . 2]" 2
1318 1 31 LEU QD 1 32 CYS H . . 4.710 4.153 3.716 4.389 . 0 0 "[ . 1 . 2]" 2
1319 1 31 LEU QD 1 33 VAL MG2 . . 3.720 2.935 1.888 3.456 . 0 0 "[ . 1 . 2]" 2
1320 1 31 LEU QD 1 38 PHE HB2 . . 4.750 3.047 2.248 3.501 . 0 0 "[ . 1 . 2]" 2
1321 1 31 LEU QD 1 38 PHE HB3 . . 4.900 4.085 3.293 4.359 . 0 0 "[ . 1 . 2]" 2
1322 1 31 LEU QD 1 38 PHE QD . . 5.010 4.003 3.234 4.579 . 0 0 "[ . 1 . 2]" 2
1323 1 31 LEU QD 1 40 ARG HA . . 3.450 1.949 1.808 2.162 . 0 0 "[ . 1 . 2]" 2
1324 1 31 LEU QD 1 40 ARG QB . . 4.570 3.237 2.711 3.514 . 0 0 "[ . 1 . 2]" 2
1325 1 31 LEU QD 1 40 ARG QD . . 4.380 2.854 1.855 3.802 . 0 0 "[ . 1 . 2]" 2
1326 1 31 LEU QD 1 43 PHE H . . 4.520 3.845 3.195 4.256 . 0 0 "[ . 1 . 2]" 2
1327 1 31 LEU QD 1 43 PHE HA . . 5.380 4.382 3.985 4.750 . 0 0 "[ . 1 . 2]" 2
1328 1 31 LEU QD 1 43 PHE HB2 . . 3.730 2.490 1.932 2.923 . 0 0 "[ . 1 . 2]" 2
1329 1 31 LEU QD 1 43 PHE HB3 . . 3.860 2.467 1.983 2.917 . 0 0 "[ . 1 . 2]" 2
1330 1 31 LEU QD 1 43 PHE QD . . 3.880 2.451 1.957 2.996 . 0 0 "[ . 1 . 2]" 2
1331 1 31 LEU QD 1 43 PHE QE . . 4.820 3.317 2.679 3.841 . 0 0 "[ . 1 . 2]" 2
1332 1 31 LEU QD 1 43 PHE HZ . . 5.440 4.392 3.687 4.771 . 0 0 "[ . 1 . 2]" 2
1333 1 31 LEU QD 1 57 TYR QE . . 5.440 4.758 4.067 5.450 0.010 18 0 "[ . 1 . 2]" 2
1334 1 32 CYS H 1 32 CYS QB . . 3.330 2.490 2.169 2.748 . 0 0 "[ . 1 . 2]" 2
1335 1 32 CYS QB 1 33 VAL H . . 3.770 3.732 3.587 3.967 0.197 7 0 "[ . 1 . 2]" 2
1336 1 32 CYS QB 1 37 PHE QD . . 4.260 3.524 3.228 4.164 . 0 0 "[ . 1 . 2]" 2
1337 1 32 CYS QB 1 37 PHE HZ . . 4.080 3.858 3.364 4.084 0.004 14 0 "[ . 1 . 2]" 2
1338 1 33 VAL MG1 1 34 ASN QD . . 4.240 3.126 1.919 3.954 . 0 0 "[ . 1 . 2]" 2
1339 1 34 ASN HB2 1 34 ASN QD . . 3.470 2.520 2.099 3.261 . 0 0 "[ . 1 . 2]" 2
1340 1 34 ASN QD 1 59 GLN QB . . 4.290 4.090 3.626 4.307 0.017 15 0 "[ . 1 . 2]" 2
1341 1 39 HIS HA 1 40 ARG QB . . 5.340 4.349 4.069 4.622 . 0 0 "[ . 1 . 2]" 2
1342 1 40 ARG H 1 40 ARG QD . . 4.870 4.133 3.503 4.542 . 0 0 "[ . 1 . 2]" 2
1343 1 40 ARG HA 1 40 ARG QD . . 4.220 3.277 2.114 4.119 . 0 0 "[ . 1 . 2]" 2
1344 1 40 ARG QB 1 42 CYS H . . 5.340 5.081 4.943 5.186 . 0 0 "[ . 1 . 2]" 2
1345 1 41 SER QB 1 42 CYS H . . 4.070 2.621 2.267 3.447 . 0 0 "[ . 1 . 2]" 2
1346 1 43 PHE H 1 44 ARG QG . . 4.670 3.958 3.718 4.312 . 0 0 "[ . 1 . 2]" 2
1347 1 43 PHE HA 1 44 ARG QG . . 4.540 3.917 3.455 4.289 . 0 0 "[ . 1 . 2]" 2
1348 1 44 ARG H 1 44 ARG QG . . 3.510 2.948 2.361 3.406 . 0 0 "[ . 1 . 2]" 2
1349 1 44 ARG QB 1 45 CYS H . . 3.340 2.218 2.061 2.352 . 0 0 "[ . 1 . 2]" 2
1350 1 44 ARG QB 1 45 CYS HB3 . . 4.770 4.009 3.870 4.080 . 0 0 "[ . 1 . 2]" 2
1351 1 44 ARG QB 1 49 GLU H . . 4.520 4.215 4.167 4.260 . 0 0 "[ . 1 . 2]" 2
1352 1 44 ARG QB 1 49 GLU HA . . 3.380 2.342 2.163 2.413 . 0 0 "[ . 1 . 2]" 2
1353 1 44 ARG QB 1 49 GLU QB . . 4.450 2.962 2.824 3.381 . 0 0 "[ . 1 . 2]" 2
1354 1 44 ARG QB 1 49 GLU QG . . 4.700 3.885 3.420 4.714 0.014 11 0 "[ . 1 . 2]" 2
1355 1 44 ARG QB 1 50 ALA H . . 4.370 2.912 2.681 3.201 . 0 0 "[ . 1 . 2]" 2
1356 1 44 ARG QB 1 51 THR H . . 5.340 3.721 2.773 4.154 . 0 0 "[ . 1 . 2]" 2
1357 1 44 ARG QB 1 52 LEU H . . 5.050 3.786 3.191 4.094 . 0 0 "[ . 1 . 2]" 2
1358 1 44 ARG QG 1 49 GLU QB . . 4.820 4.182 3.234 4.404 . 0 0 "[ . 1 . 2]" 2
1359 1 44 ARG QG 1 51 THR HA . . 3.600 2.226 1.942 3.692 0.092 14 0 "[ . 1 . 2]" 2
1360 1 44 ARG QG 1 52 LEU H . . 5.340 3.410 3.104 4.518 . 0 0 "[ . 1 . 2]" 2
1361 1 44 ARG HD2 1 49 GLU QB . . 4.340 3.404 3.086 3.601 . 0 0 "[ . 1 . 2]" 2
1362 1 45 CYS H 1 49 GLU QB . . 5.340 4.607 4.321 4.999 . 0 0 "[ . 1 . 2]" 2
1363 1 48 CYS H 1 49 GLU QB . . 5.120 4.822 4.585 4.946 . 0 0 "[ . 1 . 2]" 2
1364 1 49 GLU H 1 49 GLU QB . . 3.560 3.228 2.913 3.355 . 0 0 "[ . 1 . 2]" 2
1365 1 52 LEU MD2 1 69 LEU QD . . 4.820 4.527 4.364 4.642 . 0 0 "[ . 1 . 2]" 2
1366 1 53 TRP H 1 54 PRO QD . . 4.490 4.358 4.346 4.372 . 0 0 "[ . 1 . 2]" 2
1367 1 53 TRP HA 1 54 PRO QG . . 4.860 4.019 4.006 4.037 . 0 0 "[ . 1 . 2]" 2
1368 1 53 TRP HB2 1 54 PRO QD . . 3.970 3.154 2.998 3.287 . 0 0 "[ . 1 . 2]" 2
1369 1 53 TRP HB3 1 54 PRO QD . . 3.570 1.938 1.904 1.975 . 0 0 "[ . 1 . 2]" 2
1370 1 53 TRP HE3 1 54 PRO QD . . 3.760 3.109 2.726 3.378 . 0 0 "[ . 1 . 2]" 2
1371 1 54 PRO QB 1 57 TYR QE . . 4.380 3.895 3.724 4.110 . 0 0 "[ . 1 . 2]" 2
1372 1 55 GLY QA 1 57 TYR H . . 4.370 4.132 3.832 4.300 . 0 0 "[ . 1 . 2]" 2
1373 1 56 GLY H 1 69 LEU QD . . 4.270 3.938 3.749 4.212 . 0 0 "[ . 1 . 2]" 2
1374 1 56 GLY QA 1 57 TYR HA . . 5.110 3.988 3.983 3.995 . 0 0 "[ . 1 . 2]" 2
1375 1 56 GLY QA 1 57 TYR QD . . 4.900 4.134 3.796 4.389 . 0 0 "[ . 1 . 2]" 2
1376 1 56 GLY QA 1 69 LEU H . . 5.170 4.642 4.352 4.835 . 0 0 "[ . 1 . 2]" 2
1377 1 56 GLY QA 1 69 LEU HG . . 4.240 3.035 2.724 3.309 . 0 0 "[ . 1 . 2]" 2
1378 1 56 GLY QA 1 69 LEU QD . . 3.320 1.888 1.747 1.948 . 0 0 "[ . 1 . 2]" 2
1379 1 57 TYR H 1 69 LEU QD . . 3.390 2.548 2.432 2.729 . 0 0 "[ . 1 . 2]" 2
1380 1 57 TYR HA 1 58 GLU QB . . 4.880 4.017 3.950 4.194 . 0 0 "[ . 1 . 2]" 2
1381 1 57 TYR HA 1 69 LEU QD . . 3.770 2.223 2.022 2.445 . 0 0 "[ . 1 . 2]" 2
1382 1 57 TYR HB2 1 69 LEU QD . . 4.660 4.009 3.833 4.144 . 0 0 "[ . 1 . 2]" 2
1383 1 57 TYR HB3 1 69 LEU QD . . 5.440 4.065 3.927 4.211 . 0 0 "[ . 1 . 2]" 2
1384 1 57 TYR QD 1 58 GLU QB . . 5.340 4.872 4.733 5.090 . 0 0 "[ . 1 . 2]" 2
1385 1 57 TYR QD 1 69 LEU QD . . 4.340 4.207 4.064 4.317 . 0 0 "[ . 1 . 2]" 2
1386 1 58 GLU H 1 58 GLU QB . . 3.540 2.751 2.655 2.839 . 0 0 "[ . 1 . 2]" 2
1387 1 58 GLU H 1 69 LEU QD . . 4.100 3.029 2.846 3.160 . 0 0 "[ . 1 . 2]" 2
1388 1 58 GLU HA 1 59 GLN QB . . 4.740 4.015 3.992 4.032 . 0 0 "[ . 1 . 2]" 2
1389 1 58 GLU HA 1 69 LEU QD . . 4.950 3.891 3.750 4.119 . 0 0 "[ . 1 . 2]" 2
1390 1 58 GLU QB 1 59 GLN H . . 3.310 2.717 2.508 2.986 . 0 0 "[ . 1 . 2]" 2
1391 1 58 GLU QB 1 69 LEU QD . . 3.850 2.548 2.319 2.849 . 0 0 "[ . 1 . 2]" 2
1392 1 58 GLU QG 1 69 LEU QD . . 3.330 2.244 1.844 2.696 . 0 0 "[ . 1 . 2]" 2
1393 1 59 GLN H 1 59 GLN QB . . 3.020 2.353 2.289 2.430 . 0 0 "[ . 1 . 2]" 2
1394 1 59 GLN H 1 59 GLN QG . . 4.190 4.011 3.878 4.125 . 0 0 "[ . 1 . 2]" 2
1395 1 59 GLN QB 1 59 GLN HE22 . . 4.600 4.128 4.069 4.167 . 0 0 "[ . 1 . 2]" 2
1396 1 59 GLN QB 1 66 PHE QE . . 3.940 2.409 2.078 2.729 . 0 0 "[ . 1 . 2]" 2
1397 1 59 GLN QB 1 66 PHE HZ . . 4.620 3.570 3.134 3.753 . 0 0 "[ . 1 . 2]" 2
1398 1 59 GLN QG 1 60 HIS H . . 3.670 3.087 2.327 3.446 . 0 0 "[ . 1 . 2]" 2
1399 1 59 GLN QG 1 64 GLY H . . 4.740 4.416 4.149 4.531 . 0 0 "[ . 1 . 2]" 2
1400 1 59 GLN QG 1 64 GLY QA . . 4.020 3.256 3.123 3.347 . 0 0 "[ . 1 . 2]" 2
1401 1 59 GLN QG 1 65 HIS H . . 5.040 3.417 3.304 3.583 . 0 0 "[ . 1 . 2]" 2
1402 1 59 GLN QG 1 66 PHE HA . . 4.820 3.291 3.083 3.659 . 0 0 "[ . 1 . 2]" 2
1403 1 59 GLN QG 1 66 PHE QD . . 4.450 3.539 3.054 3.928 . 0 0 "[ . 1 . 2]" 2
1404 1 59 GLN QG 1 66 PHE QE . . 4.570 3.527 3.029 3.893 . 0 0 "[ . 1 . 2]" 2
1405 1 59 GLN HE22 1 64 GLY QA . . 4.180 3.843 3.377 4.083 . 0 0 "[ . 1 . 2]" 2
1406 1 60 HIS HE1 1 62 GLY QA . . 3.510 2.367 2.085 2.672 . 0 0 "[ . 1 . 2]" 2
1407 1 61 PRO HA 1 64 GLY QA . . 4.670 3.487 3.139 3.812 . 0 0 "[ . 1 . 2]" 2
1408 1 61 PRO HB2 1 62 GLY QA . . 4.590 3.902 3.744 4.120 . 0 0 "[ . 1 . 2]" 2
1409 1 63 ASP QB 1 64 GLY H . . 4.280 2.480 2.012 3.213 . 0 0 "[ . 1 . 2]" 2
1410 1 63 ASP QB 1 65 HIS H . . 4.720 3.320 2.731 3.981 . 0 0 "[ . 1 . 2]" 2
1411 1 63 ASP QB 1 65 HIS HD2 . . 3.630 2.299 1.954 3.158 . 0 0 "[ . 1 . 2]" 2
1412 1 67 TYR QD 1 73 PRO QG . . 4.450 4.187 3.768 4.423 . 0 0 "[ . 1 . 2]" 2
1413 1 67 TYR QE 1 73 PRO QG . . 4.990 4.001 3.557 4.320 . 0 0 "[ . 1 . 2]" 2
1414 1 68 CYS HA 1 69 LEU QD . . 4.740 3.617 3.307 3.778 . 0 0 "[ . 1 . 2]" 2
1415 1 68 CYS HB2 1 69 LEU QD . . 4.950 4.481 4.299 4.606 . 0 0 "[ . 1 . 2]" 2
1416 1 69 LEU H 1 69 LEU QD . . 3.280 2.839 2.614 2.949 . 0 0 "[ . 1 . 2]" 2
1417 1 69 LEU HA 1 69 LEU QD . . 2.920 2.029 1.963 2.225 . 0 0 "[ . 1 . 2]" 2
1418 1 69 LEU QD 1 70 GLN H . . 4.260 4.206 4.114 4.255 . 0 0 "[ . 1 . 2]" 2
1419 1 69 LEU QD 1 72 LEU H . . 5.030 4.744 4.683 4.848 . 0 0 "[ . 1 . 2]" 2
1420 1 70 GLN H 1 70 GLN QG . . 4.060 4.050 4.000 4.130 0.070 18 0 "[ . 1 . 2]" 2
1421 1 70 GLN QB 1 71 HIS H . . 3.390 3.159 2.996 3.264 . 0 0 "[ . 1 . 2]" 2
1422 1 70 GLN QB 1 71 HIS HD2 . . 4.730 4.059 3.315 4.212 . 0 0 "[ . 1 . 2]" 2
1423 1 70 GLN QG 1 71 HIS H . . 4.230 4.038 3.840 4.309 0.079 18 0 "[ . 1 . 2]" 2
1424 1 72 LEU HB3 1 74 GLN QE . . 5.340 4.692 2.884 5.272 . 0 0 "[ . 1 . 2]" 2
1425 1 72 LEU HG 1 74 GLN QE . . 5.340 4.062 3.256 5.068 . 0 0 "[ . 1 . 2]" 2
1426 1 72 LEU MD1 1 73 PRO QG . . 4.840 3.951 3.810 4.103 . 0 0 "[ . 1 . 2]" 2
1427 1 72 LEU MD2 1 74 GLN QE . . 4.590 2.890 2.201 3.702 . 0 0 "[ . 1 . 2]" 2
1428 1 73 PRO QG 1 74 GLN H . . 4.320 3.892 3.704 4.073 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 2, 2024 3:30:01 AM GMT (wattos1)