NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
524238 |
2lgp   |
16480 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lgp
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 12
_Distance_constraint_stats_list.Viol_count 240
_Distance_constraint_stats_list.Viol_total 3193.760
_Distance_constraint_stats_list.Viol_max 2.357
_Distance_constraint_stats_list.Viol_rms 0.6947
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6654
_Distance_constraint_stats_list.Viol_average_violations_only 0.6654
_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 24 TRP 4.446 0.309 12 0 "[ . 1 . 2]"
1 27 ASP 14.402 1.996 8 6 "[ . + * *. **-]"
1 29 ASP 5.992 0.356 20 0 "[ . 1 . 2]"
1 31 ASP 15.367 2.271 6 6 "[ *.+* -* .* 2]"
1 37 ASP 42.112 2.357 4 20 [***+**-*************]
1 38 GLU 7.388 0.411 6 0 "[ . 1 . 2]"
1 73 TRP 5.013 0.279 4 0 "[ . 1 . 2]"
1 76 ASP 14.284 2.125 9 5 "[ . * +1 *-* 2]"
1 78 GLY 5.356 0.288 11 0 "[ . 1 . 2]"
1 80 ASP 5.737 0.322 12 0 "[ . 1 . 2]"
1 86 ASP 32.646 2.080 20 20 [**********-********+]
1 87 GLU 6.945 0.374 11 0 "[ . 1 . 2]"
2 1 CA 89.706 2.357 4 20 [***+**-*************]
3 1 CA 69.982 2.125 9 20 [********+****-******]
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 24 TRP O 2 1 CA CA 1.800 . 2.400 2.622 2.517 2.709 0.309 12 0 "[ . 1 . 2]" 1
2 1 27 ASP OD2 2 1 CA CA 1.800 . 2.400 3.120 2.642 4.396 1.996 8 6 "[ . + * *. **-]" 1
3 1 29 ASP O 2 1 CA CA 1.800 . 2.400 2.700 2.618 2.756 0.356 20 0 "[ . 1 . 2]" 1
4 1 31 ASP OD1 2 1 CA CA 1.800 . 2.400 3.168 2.649 4.671 2.271 6 6 "[ *.+* -* .* 2]" 1
5 1 37 ASP OD1 2 1 CA CA 1.800 . 2.400 4.506 3.280 4.757 2.357 4 20 [***+**-*************] 1
6 1 38 GLU OE2 2 1 CA CA 1.800 . 2.400 2.769 2.715 2.811 0.411 6 0 "[ . 1 . 2]" 1
7 1 73 TRP O 3 1 CA CA 1.800 . 2.400 2.651 2.600 2.679 0.279 4 0 "[ . 1 . 2]" 1
8 1 76 ASP OD2 3 1 CA CA 1.800 . 2.400 3.114 2.673 4.525 2.125 9 5 "[ . * +1 *-* 2]" 1
9 1 78 GLY O 3 1 CA CA 1.800 . 2.400 2.668 2.646 2.688 0.288 11 0 "[ . 1 . 2]" 1
10 1 80 ASP OD1 3 1 CA CA 1.800 . 2.400 2.687 2.631 2.722 0.322 12 0 "[ . 1 . 2]" 1
11 1 86 ASP OD1 3 1 CA CA 1.800 . 2.400 4.032 3.617 4.480 2.080 20 20 [**********-********+] 1
12 1 87 GLU OE2 3 1 CA CA 1.800 . 2.400 2.747 2.693 2.774 0.374 11 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 23
_Distance_constraint_stats_list.Viol_count 347
_Distance_constraint_stats_list.Viol_total 4718.133
_Distance_constraint_stats_list.Viol_max 2.283
_Distance_constraint_stats_list.Viol_rms 0.6777
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5128
_Distance_constraint_stats_list.Viol_average_violations_only 0.6798
_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 24 TRP 10.409 1.710 18 6 "[ . * * *. +*-]"
1 27 ASP 49.628 2.283 10 11 "[ *.*** +* *.* **-]"
1 29 ASP 40.580 2.047 8 20 [*******+************]
1 31 ASP 33.569 2.283 10 11 "[ *.*** +- *.* ***]"
1 37 ASP 48.511 1.834 10 20 [*******-*+**********]
1 38 GLU 40.669 1.958 6 20 [*****+************-*]
1 73 TRP 35.989 2.013 19 20 [************-*****+*]
1 76 ASP 23.813 1.805 14 5 "[ . * *1 *+- 2]"
1 78 GLY 50.165 2.252 19 20 [******-***********+*]
1 80 ASP 8.528 0.742 9 3 "[ . +1 * - 2]"
1 86 ASP 93.297 2.252 19 20 [**********-*******+*]
1 87 GLU 36.655 1.827 19 20 [******-***********+*]
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 24 TRP O 1 29 ASP O 3.800 3.800 4.800 4.801 4.589 4.973 0.173 10 0 "[ . 1 . 2]" 2
2 1 31 ASP OD1 1 38 GLU OE2 3.800 3.800 4.800 5.173 4.413 6.758 1.958 6 6 "[ *.+- ** .* 2]" 2
3 1 27 ASP OD2 1 29 ASP O 2.500 2.500 3.400 3.906 3.373 5.447 2.047 8 6 "[ . + * -. ***]" 2
4 1 29 ASP O 1 37 ASP OD1 2.500 2.500 3.400 4.707 4.078 5.148 1.748 12 20 [*******-***+********] 2
5 1 29 ASP O 1 31 ASP OD1 2.500 2.500 3.400 3.201 2.485 4.529 1.129 6 3 "[ .+ 1- .* 2]" 2
6 1 29 ASP O 1 38 GLU OE2 2.500 2.500 3.400 2.612 2.477 2.929 0.023 8 0 "[ . 1 . 2]" 2
7 1 27 ASP OD2 1 31 ASP OD1 2.500 2.500 3.400 4.459 3.693 5.683 2.283 10 11 "[ *.*** +* *.* **-]" 2
8 1 24 TRP O 1 27 ASP OD2 2.500 2.500 3.400 3.866 3.427 5.110 1.710 18 6 "[ . * * *. +*-]" 2
9 1 27 ASP OD2 1 38 GLU OE2 2.500 2.500 3.400 3.814 3.172 5.125 1.725 18 6 "[ . * - *. +**]" 2
10 1 37 ASP OD1 1 38 GLU OE2 2.500 2.500 3.400 4.472 2.489 5.234 1.834 10 19 "[****** **+********-*]" 2
11 1 24 TRP O 1 38 GLU OE2 2.500 2.500 3.400 3.195 2.736 3.709 0.309 7 0 "[ . 1 . 2]" 2
12 1 73 TRP O 1 78 GLY O 3.800 3.800 4.800 4.806 4.598 5.049 0.249 14 0 "[ . 1 . 2]" 2
13 1 80 ASP OD1 1 87 GLU OE2 3.800 3.800 4.800 4.925 4.809 5.015 0.215 14 0 "[ . 1 . 2]" 2
14 1 76 ASP OD2 1 78 GLY O 2.500 2.500 3.400 3.815 3.335 5.205 1.805 14 5 "[ . - *1 *+* 2]" 2
15 1 78 GLY O 1 86 ASP OD1 2.500 2.500 3.400 5.338 5.106 5.652 2.252 19 20 [*************-****+*] 2
16 1 78 GLY O 1 80 ASP OD1 2.500 2.500 3.400 3.487 3.383 3.588 0.188 20 0 "[ . 1 . 2]" 2
17 1 78 GLY O 1 87 GLU OE2 2.500 2.500 3.400 2.518 2.464 2.894 0.036 6 0 "[ . 1 . 2]" 2
18 1 76 ASP OD2 1 80 ASP OD1 2.500 2.500 3.400 3.614 3.421 4.142 0.742 9 3 "[ . +1 * - 2]" 2
19 1 73 TRP O 1 76 ASP OD2 2.500 2.500 3.400 3.142 2.465 4.486 1.086 7 4 "[ . + *1 - * 2]" 2
20 1 76 ASP OD2 1 87 GLU OE2 2.500 2.500 3.400 3.599 3.002 4.999 1.599 9 5 "[ . - +1 *** 2]" 2
21 1 73 TRP O 1 86 ASP OD1 2.500 2.500 3.400 4.871 4.666 5.413 2.013 19 20 [*-****************+*] 2
22 1 86 ASP OD1 1 87 GLU OE2 2.500 2.500 3.400 4.657 4.580 5.227 1.827 19 20 [**********-*******+*] 2
23 1 73 TRP O 1 87 GLU OE2 2.500 2.500 3.400 3.451 3.237 3.598 0.198 16 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 2579
_Distance_constraint_stats_list.Viol_count 6000
_Distance_constraint_stats_list.Viol_total 9486.954
_Distance_constraint_stats_list.Viol_max 0.665
_Distance_constraint_stats_list.Viol_rms 0.0348
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0791
_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 2 SER 11.420 0.176 5 0 "[ . 1 . 2]"
1 3 PRO 19.374 0.183 19 0 "[ . 1 . 2]"
1 4 VAL 6.837 0.407 18 0 "[ . 1 . 2]"
1 5 LEU 2.426 0.223 19 0 "[ . 1 . 2]"
1 6 THR 8.892 0.353 17 0 "[ . 1 . 2]"
1 7 CYS 8.573 0.353 17 0 "[ . 1 . 2]"
1 8 GLY 4.841 0.216 13 0 "[ . 1 . 2]"
1 9 PRO 11.182 0.169 19 0 "[ . 1 . 2]"
1 10 ALA 6.654 0.231 1 0 "[ . 1 . 2]"
1 11 SER 4.230 0.208 2 0 "[ . 1 . 2]"
1 12 PHE 13.034 0.305 19 0 "[ . 1 . 2]"
1 13 GLN 12.253 0.333 17 0 "[ . 1 . 2]"
1 14 CYS 4.280 0.328 8 0 "[ . 1 . 2]"
1 15 ASN 18.206 0.432 20 0 "[ . 1 . 2]"
1 16 SER 4.082 0.152 16 0 "[ . 1 . 2]"
1 17 SER 9.853 0.432 20 0 "[ . 1 . 2]"
1 18 THR 6.626 0.247 7 0 "[ . 1 . 2]"
1 19 CYS 3.216 0.333 17 0 "[ . 1 . 2]"
1 20 ILE 35.362 0.407 18 0 "[ . 1 . 2]"
1 21 PRO 20.028 0.231 1 0 "[ . 1 . 2]"
1 22 GLN 12.144 0.257 17 0 "[ . 1 . 2]"
1 23 LEU 13.215 0.281 12 0 "[ . 1 . 2]"
1 24 TRP 21.211 0.281 12 0 "[ . 1 . 2]"
1 25 ALA 10.174 0.245 10 0 "[ . 1 . 2]"
1 26 CYS 5.191 0.353 19 0 "[ . 1 . 2]"
1 27 ASP 3.726 0.299 7 0 "[ . 1 . 2]"
1 28 ASN 1.473 0.189 16 0 "[ . 1 . 2]"
1 29 ASP 7.087 0.206 17 0 "[ . 1 . 2]"
1 30 PRO 12.410 0.263 11 0 "[ . 1 . 2]"
1 31 ASP 10.885 0.310 18 0 "[ . 1 . 2]"
1 32 CYS 13.511 0.369 19 0 "[ . 1 . 2]"
1 33 GLU 10.038 0.328 8 0 "[ . 1 . 2]"
1 34 ASP 3.120 0.211 6 0 "[ . 1 . 2]"
1 35 GLY 3.609 0.263 11 0 "[ . 1 . 2]"
1 36 SER 8.720 0.288 7 0 "[ . 1 . 2]"
1 37 ASP 10.709 0.321 12 0 "[ . 1 . 2]"
1 38 GLU 9.775 0.288 7 0 "[ . 1 . 2]"
1 39 TRP 27.218 0.335 7 0 "[ . 1 . 2]"
1 40 PRO 20.250 0.318 7 0 "[ . 1 . 2]"
1 41 GLN 11.538 0.335 7 0 "[ . 1 . 2]"
1 42 ARG 15.736 0.262 14 0 "[ . 1 . 2]"
1 43 CYS 16.929 0.665 16 1 "[ . 1 .+ 2]"
1 44 ARG 12.370 0.443 18 0 "[ . 1 . 2]"
1 45 GLY 1.490 0.140 17 0 "[ . 1 . 2]"
1 46 LEU 27.636 0.665 16 1 "[ . 1 .+ 2]"
1 47 TYR 15.761 0.498 2 0 "[ . 1 . 2]"
1 48 VAL 11.015 0.498 2 0 "[ . 1 . 2]"
1 49 PHE 5.191 0.301 7 0 "[ . 1 . 2]"
1 50 GLN 3.705 0.172 16 0 "[ . 1 . 2]"
1 51 GLY 0.508 0.159 8 0 "[ . 1 . 2]"
1 52 ASP 1.342 0.221 15 0 "[ . 1 . 2]"
1 53 SER 1.515 0.221 15 0 "[ . 1 . 2]"
1 54 SER 1.746 0.144 13 0 "[ . 1 . 2]"
1 55 PRO 12.854 0.412 12 0 "[ . 1 . 2]"
1 56 CYS 10.326 0.338 19 0 "[ . 1 . 2]"
1 57 SER 9.226 0.411 9 0 "[ . 1 . 2]"
1 58 ALA 5.322 0.311 13 0 "[ . 1 . 2]"
1 59 PHE 7.721 0.407 18 0 "[ . 1 . 2]"
1 60 GLU 26.240 0.412 12 0 "[ . 1 . 2]"
1 61 PHE 16.913 0.404 20 0 "[ . 1 . 2]"
1 62 HIS 5.149 0.338 19 0 "[ . 1 . 2]"
1 63 CYS 16.429 0.617 20 2 "[ . 1 - +]"
1 64 LEU 9.191 0.404 20 0 "[ . 1 . 2]"
1 65 SER 10.848 0.617 20 1 "[ . 1 . +]"
1 66 GLY 1.605 0.468 20 0 "[ . 1 . 2]"
1 67 GLU 22.832 0.602 15 1 "[ . 1 + 2]"
1 68 CYS 7.240 0.490 19 0 "[ . 1 . 2]"
1 69 ILE 30.702 0.369 19 0 "[ . 1 . 2]"
1 70 HIS 10.578 0.211 20 0 "[ . 1 . 2]"
1 71 SER 12.552 0.281 20 0 "[ . 1 . 2]"
1 72 SER 1.693 0.283 20 0 "[ . 1 . 2]"
1 73 TRP 8.896 0.211 20 0 "[ . 1 . 2]"
1 74 ARG 24.987 0.299 20 0 "[ . 1 . 2]"
1 75 CYS 10.496 0.355 18 0 "[ . 1 . 2]"
1 76 ASP 6.804 0.299 20 0 "[ . 1 . 2]"
1 77 GLY 4.252 0.209 7 0 "[ . 1 . 2]"
1 78 GLY 8.790 0.273 10 0 "[ . 1 . 2]"
1 79 PRO 6.066 0.176 5 0 "[ . 1 . 2]"
1 80 ASP 12.954 0.286 7 0 "[ . 1 . 2]"
1 81 CYS 10.270 0.351 20 0 "[ . 1 . 2]"
1 82 LYS 12.873 0.246 2 0 "[ . 1 . 2]"
1 83 ASP 10.874 0.434 20 0 "[ . 1 . 2]"
1 84 LYS 19.979 0.351 20 0 "[ . 1 . 2]"
1 85 SER 17.077 0.432 20 0 "[ . 1 . 2]"
1 86 ASP 20.787 0.432 20 0 "[ . 1 . 2]"
1 87 GLU 6.318 0.273 20 0 "[ . 1 . 2]"
1 88 GLU 11.538 0.178 9 0 "[ . 1 . 2]"
1 89 ASN 3.673 0.271 14 0 "[ . 1 . 2]"
1 90 CYS 7.527 0.315 5 0 "[ . 1 . 2]"
1 91 ALA 3.806 0.315 5 0 "[ . 1 . 2]"
1 92 VAL 6.012 0.355 18 0 "[ . 1 . 2]"
1 93 ALA 0.919 0.093 16 0 "[ . 1 . 2]"
1 94 THR 0.097 0.014 18 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 77 GLY H 1 87 GLU QB 4.097 . 6.195 4.243 3.829 4.941 . 0 0 "[ . 1 . 2]" 3
2 1 26 CYS HA 1 38 GLU H 3.695 . 5.402 4.076 3.712 4.826 . 0 0 "[ . 1 . 2]" 3
3 1 84 LYS QE 1 85 SER H 4.148 . 6.500 6.552 6.419 6.624 0.124 1 0 "[ . 1 . 2]" 3
4 1 15 ASN QB 1 36 SER H 3.672 . 5.358 4.485 4.131 4.938 . 0 0 "[ . 1 . 2]" 3
5 1 2 SER QB 1 4 VAL H 2.571 . 3.398 2.838 2.645 2.947 . 0 0 "[ . 1 . 2]" 3
6 1 3 PRO QB 1 4 VAL H 3.033 . 4.183 2.780 2.687 2.969 . 0 0 "[ . 1 . 2]" 3
7 1 4 VAL HA 1 5 LEU H 2.665 . 3.552 2.668 2.484 2.839 . 0 0 "[ . 1 . 2]" 3
8 1 5 LEU H 1 5 LEU QB 3.058 . 4.227 3.158 3.069 3.452 . 0 0 "[ . 1 . 2]" 3
9 1 5 LEU H 1 5 LEU MD1 3.672 . 5.358 4.552 4.335 4.673 . 0 0 "[ . 1 . 2]" 3
10 1 5 LEU H 1 5 LEU MD2 3.772 . 5.550 3.662 3.131 3.916 . 0 0 "[ . 1 . 2]" 3
11 1 4 VAL MG2 1 5 LEU H 4.410 . 6.841 3.858 3.711 4.000 . 0 0 "[ . 1 . 2]" 3
12 1 5 LEU HA 1 6 THR H 4.333 . 6.680 3.001 2.310 3.574 . 0 0 "[ . 1 . 2]" 3
13 1 7 CYS QB 1 11 SER H 3.189 . 6.500 4.476 4.132 4.769 . 0 0 "[ . 1 . 2]" 3
14 1 8 GLY QA 1 11 SER H 3.695 . 5.402 4.418 3.062 5.376 . 0 0 "[ . 1 . 2]" 3
15 1 9 PRO HA 1 11 SER H 3.233 . 4.539 3.843 3.284 4.494 . 0 0 "[ . 1 . 2]" 3
16 1 9 PRO QB 1 11 SER H 3.469 . 5.373 4.640 4.254 5.021 . 0 0 "[ . 1 . 2]" 3
17 1 10 ALA MB 1 11 SER H 2.747 . 3.690 3.520 2.982 3.715 0.025 2 0 "[ . 1 . 2]" 3
18 1 11 SER H 1 11 SER HA 2.744 . 3.685 2.890 2.847 2.947 . 0 0 "[ . 1 . 2]" 3
19 1 11 SER H 1 11 SER QB 2.367 . 3.068 2.927 2.591 3.276 0.208 2 0 "[ . 1 . 2]" 3
20 1 11 SER H 1 21 PRO HA 3.570 . 5.163 4.923 4.635 5.114 . 0 0 "[ . 1 . 2]" 3
21 1 11 SER H 1 22 GLN QB 3.005 . 4.133 3.014 2.434 4.169 0.036 7 0 "[ . 1 . 2]" 3
22 1 11 SER H 1 22 GLN QG 4.050 . 6.100 4.693 4.080 5.911 . 0 0 "[ . 1 . 2]" 3
23 1 11 SER HA 1 12 PHE H 2.431 . 3.170 2.427 2.231 2.721 . 0 0 "[ . 1 . 2]" 3
24 1 11 SER QB 1 12 PHE H 2.453 . 3.305 2.447 2.020 2.847 . 0 0 "[ . 1 . 2]" 3
25 1 12 PHE H 1 12 PHE HA 2.983 . 4.095 2.916 2.817 2.943 . 0 0 "[ . 1 . 2]" 3
26 1 12 PHE H 1 19 CYS QB 3.252 . 6.500 5.484 5.028 5.766 . 0 0 "[ . 1 . 2]" 3
27 1 7 CYS QB 1 12 PHE H 3.439 . 4.918 3.372 2.533 3.705 . 0 0 "[ . 1 . 2]" 3
28 1 12 PHE H 1 20 ILE MD 3.272 . 6.500 5.014 4.873 5.415 . 0 0 "[ . 1 . 2]" 3
29 1 12 PHE H 1 20 ILE QG 3.022 . 4.163 3.470 3.347 3.851 . 0 0 "[ . 1 . 2]" 3
30 1 12 PHE H 1 25 ALA MB 3.398 . 5.441 4.593 4.137 5.572 0.131 7 0 "[ . 1 . 2]" 3
31 1 12 PHE H 1 21 PRO HA 3.090 . 4.284 3.368 2.995 3.865 . 0 0 "[ . 1 . 2]" 3
32 1 12 PHE H 1 21 PRO QB 3.695 . 5.402 4.977 4.675 5.400 . 0 0 "[ . 1 . 2]" 3
33 1 12 PHE H 1 22 GLN QB 3.005 . 4.433 4.282 4.140 4.561 0.128 17 0 "[ . 1 . 2]" 3
34 1 12 PHE H 1 22 GLN QG 3.650 . 5.615 5.408 5.208 5.697 0.082 17 0 "[ . 1 . 2]" 3
35 1 7 CYS QB 1 13 GLN H 3.629 . 5.275 3.155 1.981 3.784 0.002 12 0 "[ . 1 . 2]" 3
36 1 12 PHE QB 1 13 GLN H 3.077 . 4.261 3.684 3.399 4.071 . 0 0 "[ . 1 . 2]" 3
37 1 12 PHE QD 1 13 GLN H 3.439 . 4.918 3.374 2.597 4.687 . 0 0 "[ . 1 . 2]" 3
38 1 12 PHE QE 1 13 GLN H 4.007 . 6.014 4.413 3.547 6.169 0.155 7 0 "[ . 1 . 2]" 3
39 1 13 GLN H 1 13 GLN HA 2.868 . 3.896 2.890 2.656 2.949 . 0 0 "[ . 1 . 2]" 3
40 1 13 GLN H 1 13 GLN QB 2.464 . 3.223 2.348 2.125 2.467 . 0 0 "[ . 1 . 2]" 3
41 1 13 GLN H 1 13 GLN QG 2.841 . 6.500 4.012 3.722 4.114 . 0 0 "[ . 1 . 2]" 3
42 1 13 GLN H 1 22 GLN HA 3.534 . 6.500 6.106 5.866 6.560 0.060 12 0 "[ . 1 . 2]" 3
43 1 6 THR HA 1 13 GLN HE21 3.500 . 5.031 4.344 3.282 5.057 0.026 9 0 "[ . 1 . 2]" 3
44 1 6 THR MG 1 13 GLN HE21 3.608 . 5.235 3.941 2.884 5.248 0.013 9 0 "[ . 1 . 2]" 3
45 1 13 GLN QB 1 13 GLN HE21 2.942 . 4.024 2.910 2.528 3.708 . 0 0 "[ . 1 . 2]" 3
46 1 6 THR HA 1 13 GLN HE22 3.303 . 4.667 4.180 3.121 4.679 0.012 13 0 "[ . 1 . 2]" 3
47 1 6 THR HB 1 13 GLN HE22 3.860 . 6.500 6.074 5.044 6.632 0.132 11 0 "[ . 1 . 2]" 3
48 1 6 THR MG 1 13 GLN HE22 3.608 . 5.235 4.258 3.557 5.136 . 0 0 "[ . 1 . 2]" 3
49 1 13 GLN QB 1 13 GLN HE22 3.233 . 4.539 3.623 3.441 4.055 . 0 0 "[ . 1 . 2]" 3
50 1 41 GLN HE22 1 41 GLN QG 2.756 . 3.706 3.284 3.217 3.415 . 0 0 "[ . 1 . 2]" 3
51 1 13 GLN HE22 1 17 SER HA 2.988 . 4.104 4.063 3.551 4.168 0.064 9 0 "[ . 1 . 2]" 3
52 1 12 PHE QD 1 14 CYS H 3.695 . 5.402 4.986 4.419 5.352 . 0 0 "[ . 1 . 2]" 3
53 1 13 GLN HA 1 14 CYS H 2.306 . 2.971 2.267 2.123 2.464 . 0 0 "[ . 1 . 2]" 3
54 1 13 GLN QB 1 14 CYS H 2.772 . 3.732 3.469 3.057 3.891 0.159 12 0 "[ . 1 . 2]" 3
55 1 13 GLN QG 1 14 CYS H 2.724 . 3.652 2.219 1.802 3.317 . 0 0 "[ . 1 . 2]" 3
56 1 14 CYS H 1 14 CYS QB 2.487 . 3.260 2.615 2.482 2.788 . 0 0 "[ . 1 . 2]" 3
57 1 14 CYS H 1 17 SER HA 3.772 . 5.550 4.805 4.077 5.608 0.058 20 0 "[ . 1 . 2]" 3
58 1 14 CYS H 1 18 THR MG 3.454 . 4.945 4.299 2.876 4.956 0.011 8 0 "[ . 1 . 2]" 3
59 1 14 CYS H 1 19 CYS QB 3.425 . 6.500 4.723 4.409 5.314 . 0 0 "[ . 1 . 2]" 3
60 1 14 CYS H 1 20 ILE MG 3.829 . 5.662 4.377 3.597 5.079 . 0 0 "[ . 1 . 2]" 3
61 1 14 CYS H 1 32 CYS QB 4.410 . 6.841 5.173 4.738 5.444 . 0 0 "[ . 1 . 2]" 3
62 1 14 CYS QB 1 15 ASN H 3.215 . 4.507 2.658 2.046 3.053 . 0 0 "[ . 1 . 2]" 3
63 1 15 ASN H 1 15 ASN QB 2.988 . 4.104 2.247 2.174 2.332 . 0 0 "[ . 1 . 2]" 3
64 1 15 ASN H 1 36 SER QB 3.398 . 4.841 1.937 1.857 2.105 0.098 4 0 "[ . 1 . 2]" 3
65 1 15 ASN HA 1 15 ASN HD21 3.589 . 5.199 3.328 2.583 4.317 . 0 0 "[ . 1 . 2]" 3
66 1 15 ASN QB 1 15 ASN HD21 3.033 . 4.183 2.141 2.087 2.317 . 0 0 "[ . 1 . 2]" 3
67 1 15 ASN QB 1 15 ASN HD22 3.372 . 4.794 3.252 3.214 3.328 . 0 0 "[ . 1 . 2]" 3
68 1 15 ASN HD22 1 39 TRP HH2 3.929 . 5.859 5.654 4.846 5.874 0.015 8 0 "[ . 1 . 2]" 3
69 1 15 ASN HD22 1 39 TRP HZ3 3.772 . 5.550 3.770 3.073 4.044 . 0 0 "[ . 1 . 2]" 3
70 1 15 ASN HD22 1 42 ARG QD 3.829 . 5.662 5.684 5.527 5.748 0.086 19 0 "[ . 1 . 2]" 3
71 1 13 GLN QB 1 17 SER H 4.097 . 6.195 5.888 5.636 6.221 0.026 11 0 "[ . 1 . 2]" 3
72 1 13 GLN QG 1 17 SER H 3.360 . 4.771 4.184 4.023 4.573 . 0 0 "[ . 1 . 2]" 3
73 1 14 CYS QB 1 17 SER H 3.517 . 5.063 3.452 2.522 4.088 . 0 0 "[ . 1 . 2]" 3
74 1 15 ASN HA 1 17 SER H 4.204 . 6.413 3.584 3.393 4.834 . 0 0 "[ . 1 . 2]" 3
75 1 16 SER HA 1 17 SER H 3.551 . 5.128 3.159 2.923 3.577 . 0 0 "[ . 1 . 2]" 3
76 1 16 SER QB 1 17 SER H 3.454 . 4.945 3.509 2.155 3.841 . 0 0 "[ . 1 . 2]" 3
77 1 17 SER H 1 18 THR HB 3.745 . 5.498 4.666 3.751 5.125 . 0 0 "[ . 1 . 2]" 3
78 1 13 GLN QG 1 18 THR H 3.829 . 5.662 3.440 2.662 4.494 . 0 0 "[ . 1 . 2]" 3
79 1 14 CYS QB 1 18 THR H 2.591 . 3.530 2.421 1.964 3.078 . 0 0 "[ . 1 . 2]" 3
80 1 16 SER HA 1 18 THR H 3.650 . 5.315 4.921 4.228 5.396 0.081 14 0 "[ . 1 . 2]" 3
81 1 18 THR H 1 18 THR MG 2.553 . 6.500 3.795 2.590 3.946 . 0 0 "[ . 1 . 2]" 3
82 1 18 THR HB 1 19 CYS H 2.524 . 6.500 3.974 3.331 4.293 . 0 0 "[ . 1 . 2]" 3
83 1 18 THR MG 1 19 CYS H 2.551 . 3.365 2.215 1.843 2.730 . 0 0 "[ . 1 . 2]" 3
84 1 19 CYS H 1 19 CYS HA 2.860 . 3.882 2.919 2.879 2.946 . 0 0 "[ . 1 . 2]" 3
85 1 19 CYS H 1 19 CYS QB 2.553 . 3.368 2.409 2.278 2.644 . 0 0 "[ . 1 . 2]" 3
86 1 10 ALA H 1 10 ALA MB 3.695 . 5.402 2.433 2.070 2.966 . 0 0 "[ . 1 . 2]" 3
87 1 12 PHE QB 1 20 ILE H 3.224 . 4.623 4.010 3.793 4.289 . 0 0 "[ . 1 . 2]" 3
88 1 13 GLN QB 1 20 ILE H 4.097 . 6.195 4.761 4.243 4.926 . 0 0 "[ . 1 . 2]" 3
89 1 18 THR MG 1 20 ILE H 3.650 . 5.315 4.660 4.052 4.887 . 0 0 "[ . 1 . 2]" 3
90 1 19 CYS QB 1 20 ILE H 2.772 . 4.232 3.482 3.328 3.795 . 0 0 "[ . 1 . 2]" 3
91 1 20 ILE H 1 20 ILE MD 2.924 . 6.500 4.253 4.088 4.345 . 0 0 "[ . 1 . 2]" 3
92 1 20 ILE H 1 20 ILE QG 2.738 . 3.675 2.609 2.426 2.714 . 0 0 "[ . 1 . 2]" 3
93 1 20 ILE H 1 21 PRO QD 3.484 . 5.332 4.239 4.195 4.298 . 0 0 "[ . 1 . 2]" 3
94 1 12 PHE QE 1 20 ILE H 4.050 . 6.500 6.292 6.117 6.613 0.113 12 0 "[ . 1 . 2]" 3
95 1 10 ALA HA 1 22 GLN H 4.497 . 7.025 4.128 3.785 4.447 . 0 0 "[ . 1 . 2]" 3
96 1 11 SER HA 1 22 GLN H 2.454 . 3.207 2.087 1.882 2.441 . 0 0 "[ . 1 . 2]" 3
97 1 11 SER QB 1 22 GLN H 2.972 . 4.176 4.129 3.833 4.287 0.111 7 0 "[ . 1 . 2]" 3
98 1 20 ILE QG 1 22 GLN H 3.695 . 5.402 5.313 5.190 5.433 0.031 4 0 "[ . 1 . 2]" 3
99 1 21 PRO HA 1 22 GLN H 2.292 . 2.948 2.236 2.177 2.353 . 0 0 "[ . 1 . 2]" 3
100 1 21 PRO QB 1 22 GLN H 2.595 . 3.436 3.015 2.814 3.188 . 0 0 "[ . 1 . 2]" 3
101 1 21 PRO QD 1 22 GLN H 3.484 . 5.002 4.937 4.901 4.997 . 0 0 "[ . 1 . 2]" 3
102 1 22 GLN H 1 22 GLN HA 2.621 . 3.480 2.790 2.733 2.871 . 0 0 "[ . 1 . 2]" 3
103 1 22 GLN H 1 22 GLN QB 2.215 . 2.828 2.244 2.238 2.257 . 0 0 "[ . 1 . 2]" 3
104 1 22 GLN H 1 22 GLN QG 2.756 . 4.078 3.972 3.958 4.001 . 0 0 "[ . 1 . 2]" 3
105 1 22 GLN HE21 1 22 GLN QG 2.808 . 3.794 2.599 2.562 2.698 . 0 0 "[ . 1 . 2]" 3
106 1 10 ALA MB 1 22 GLN HE21 3.206 . 4.491 4.437 3.810 4.574 0.083 1 0 "[ . 1 . 2]" 3
107 1 10 ALA MB 1 22 GLN HE22 3.314 . 4.687 4.649 4.514 4.773 0.086 12 0 "[ . 1 . 2]" 3
108 1 21 PRO HA 1 23 LEU H 3.180 . 4.444 3.778 3.674 3.907 . 0 0 "[ . 1 . 2]" 3
109 1 21 PRO QB 1 23 LEU H 2.826 . 3.824 2.265 2.143 2.586 . 0 0 "[ . 1 . 2]" 3
110 1 21 PRO QD 1 23 LEU H 3.860 . 5.723 5.163 4.710 5.511 . 0 0 "[ . 1 . 2]" 3
111 1 22 GLN HA 1 23 LEU H 3.039 . 4.194 3.367 3.016 3.500 . 0 0 "[ . 1 . 2]" 3
112 1 22 GLN QG 1 23 LEU H 3.215 . 4.507 4.015 3.711 4.358 . 0 0 "[ . 1 . 2]" 3
113 1 23 LEU H 1 23 LEU MD2 3.010 . 4.143 3.996 3.840 4.271 0.128 7 0 "[ . 1 . 2]" 3
114 1 23 LEU H 1 24 TRP HA 3.894 . 5.789 5.270 4.578 5.456 . 0 0 "[ . 1 . 2]" 3
115 1 20 ILE HB 1 24 TRP H 4.050 . 6.100 4.786 4.539 4.906 . 0 0 "[ . 1 . 2]" 3
116 1 20 ILE MD 1 24 TRP H 2.928 . 4.200 4.188 3.720 4.473 0.273 17 0 "[ . 1 . 2]" 3
117 1 20 ILE QG 1 24 TRP H 3.772 . 5.550 4.941 4.249 5.296 . 0 0 "[ . 1 . 2]" 3
118 1 21 PRO QB 1 24 TRP H 2.736 . 3.671 2.864 2.476 3.531 . 0 0 "[ . 1 . 2]" 3
119 1 21 PRO QD 1 24 TRP H 3.336 . 6.500 4.589 4.490 4.879 . 0 0 "[ . 1 . 2]" 3
120 1 22 GLN HA 1 24 TRP H 3.141 . 6.500 4.811 3.460 5.322 . 0 0 "[ . 1 . 2]" 3
121 1 21 PRO QG 1 24 TRP H 2.808 . 3.794 2.954 2.672 3.563 . 0 0 "[ . 1 . 2]" 3
122 1 23 LEU QB 1 24 TRP H 2.619 . 3.477 2.202 1.827 3.363 . 0 0 "[ . 1 . 2]" 3
123 1 23 LEU MD2 1 24 TRP H 4.148 . 6.299 4.447 4.048 5.331 . 0 0 "[ . 1 . 2]" 3
124 1 24 TRP H 1 24 TRP HA 2.568 . 3.392 2.740 2.660 2.939 . 0 0 "[ . 1 . 2]" 3
125 1 24 TRP H 1 24 TRP QB 2.381 . 3.090 2.525 2.268 2.635 . 0 0 "[ . 1 . 2]" 3
126 1 24 TRP H 1 25 ALA HA 3.650 . 5.315 5.332 4.601 5.518 0.203 18 0 "[ . 1 . 2]" 3
127 1 24 TRP H 1 25 ALA MB 2.772 . 6.500 4.398 3.651 4.647 . 0 0 "[ . 1 . 2]" 3
128 1 21 PRO QB 1 24 TRP HE1 3.551 . 5.128 4.418 4.043 4.624 . 0 0 "[ . 1 . 2]" 3
129 1 21 PRO QG 1 24 TRP HE1 3.292 . 4.647 3.277 2.882 3.501 . 0 0 "[ . 1 . 2]" 3
130 1 23 LEU MD2 1 24 TRP HE1 4.718 . 7.501 4.665 4.176 5.158 . 0 0 "[ . 1 . 2]" 3
131 1 24 TRP HA 1 24 TRP HE1 3.629 . 5.275 4.800 4.665 4.873 . 0 0 "[ . 1 . 2]" 3
132 1 20 ILE MD 1 25 ALA H 2.856 . 3.876 3.034 2.613 3.398 . 0 0 "[ . 1 . 2]" 3
133 1 21 PRO QB 1 25 ALA H 3.372 . 6.194 4.673 4.494 5.256 . 0 0 "[ . 1 . 2]" 3
134 1 22 GLN HA 1 25 ALA H 3.005 . 4.133 3.600 3.369 3.737 . 0 0 "[ . 1 . 2]" 3
135 1 24 TRP HA 1 25 ALA H 2.724 . 3.652 3.497 3.394 3.582 . 0 0 "[ . 1 . 2]" 3
136 1 24 TRP QB 1 25 ALA H 2.762 . 3.716 2.779 2.410 3.104 . 0 0 "[ . 1 . 2]" 3
137 1 25 ALA H 1 25 ALA MB 2.023 . 2.535 2.134 2.069 2.220 . 0 0 "[ . 1 . 2]" 3
138 1 25 ALA H 1 26 CYS HA 3.534 . 6.500 6.115 5.906 6.377 . 0 0 "[ . 1 . 2]" 3
139 1 25 ALA H 1 26 CYS QB 3.894 . 5.789 5.380 5.182 5.669 . 0 0 "[ . 1 . 2]" 3
140 1 25 ALA H 1 37 ASP QB 3.148 . 4.387 4.160 3.798 4.438 0.051 10 0 "[ . 1 . 2]" 3
141 1 20 ILE MD 1 26 CYS H 3.189 . 4.460 3.879 3.562 4.678 0.218 7 0 "[ . 1 . 2]" 3
142 1 25 ALA MB 1 26 CYS H 2.537 . 3.542 3.450 2.556 3.701 0.159 11 0 "[ . 1 . 2]" 3
143 1 26 CYS H 1 26 CYS HA 2.405 . 3.128 2.309 2.277 2.332 . 0 0 "[ . 1 . 2]" 3
144 1 26 CYS H 1 26 CYS QB 2.788 . 3.760 3.000 2.692 3.175 . 0 0 "[ . 1 . 2]" 3
145 1 26 CYS H 1 27 ASP QB 3.589 . 5.199 4.393 4.114 4.792 . 0 0 "[ . 1 . 2]" 3
146 1 26 CYS H 1 37 ASP QB 2.775 . 3.738 2.081 1.836 3.338 . 0 0 "[ . 1 . 2]" 3
147 1 26 CYS H 1 38 GLU QG 3.929 . 5.859 4.121 3.456 4.501 . 0 0 "[ . 1 . 2]" 3
148 1 25 ALA MB 1 27 ASP H 3.398 . 6.500 5.078 4.457 5.496 . 0 0 "[ . 1 . 2]" 3
149 1 26 CYS HA 1 27 ASP H 2.348 . 3.037 2.629 2.414 3.090 0.053 6 0 "[ . 1 . 2]" 3
150 1 26 CYS QB 1 27 ASP H 2.924 . 6.500 3.929 3.659 4.018 . 0 0 "[ . 1 . 2]" 3
151 1 27 ASP H 1 27 ASP HA 2.682 . 3.581 2.895 2.759 2.944 . 0 0 "[ . 1 . 2]" 3
152 1 27 ASP H 1 27 ASP QB 2.660 . 3.544 2.501 2.162 2.753 . 0 0 "[ . 1 . 2]" 3
153 1 27 ASP H 1 29 ASP QB 4.265 . 6.539 5.977 5.584 6.542 0.003 16 0 "[ . 1 . 2]" 3
154 1 27 ASP H 1 37 ASP QB 3.517 . 5.063 3.990 3.597 4.720 . 0 0 "[ . 1 . 2]" 3
155 1 27 ASP H 1 38 GLU QG 3.800 . 5.605 4.163 3.803 4.759 . 0 0 "[ . 1 . 2]" 3
156 1 27 ASP HA 1 28 ASN H 2.897 . 3.946 3.560 3.541 3.587 . 0 0 "[ . 1 . 2]" 3
157 1 27 ASP QB 1 28 ASN H 3.148 . 4.387 3.301 2.977 3.369 . 0 0 "[ . 1 . 2]" 3
158 1 28 ASN H 1 28 ASN HA 2.182 . 2.777 2.753 2.719 2.789 0.012 4 0 "[ . 1 . 2]" 3
159 1 28 ASN H 1 29 ASP QB 3.272 . 4.610 4.382 4.034 4.549 . 0 0 "[ . 1 . 2]" 3
160 1 28 ASN H 1 38 GLU HA 3.772 . 5.550 5.207 4.871 5.577 0.027 19 0 "[ . 1 . 2]" 3
161 1 28 ASN H 1 38 GLU QB 3.720 . 5.449 4.541 4.212 4.815 . 0 0 "[ . 1 . 2]" 3
162 1 28 ASN H 1 38 GLU QG 3.454 . 4.945 3.764 3.531 3.942 . 0 0 "[ . 1 . 2]" 3
163 1 28 ASN QB 1 28 ASN HD21 2.815 . 3.806 2.333 2.090 2.690 . 0 0 "[ . 1 . 2]" 3
164 1 28 ASN QB 1 28 ASN HD22 2.830 . 3.831 3.300 3.212 3.449 . 0 0 "[ . 1 . 2]" 3
165 1 27 ASP HA 1 29 ASP H 3.425 . 6.500 5.193 5.092 5.313 . 0 0 "[ . 1 . 2]" 3
166 1 27 ASP QB 1 29 ASP H 3.189 . 4.460 4.186 3.877 4.337 . 0 0 "[ . 1 . 2]" 3
167 1 28 ASN HA 1 29 ASP H 2.389 . 6.500 3.470 3.267 3.531 . 0 0 "[ . 1 . 2]" 3
168 1 29 ASP H 1 29 ASP QB 2.176 . 6.500 2.716 2.396 2.879 . 0 0 "[ . 1 . 2]" 3
169 1 29 ASP H 1 30 PRO HA 3.650 . 5.315 5.056 4.746 5.196 . 0 0 "[ . 1 . 2]" 3
170 1 29 ASP H 1 30 PRO QB 3.469 . 6.500 6.171 5.949 6.272 . 0 0 "[ . 1 . 2]" 3
171 1 29 ASP H 1 30 PRO QG 3.469 . 6.500 5.714 5.455 5.838 . 0 0 "[ . 1 . 2]" 3
172 1 29 ASP H 1 38 GLU HA 4.097 . 6.500 6.274 5.700 6.611 0.111 7 0 "[ . 1 . 2]" 3
173 1 29 ASP H 1 38 GLU QB 3.189 . 6.500 5.034 4.373 5.428 . 0 0 "[ . 1 . 2]" 3
174 1 29 ASP H 1 38 GLU QG 3.039 . 4.194 3.654 2.966 3.967 . 0 0 "[ . 1 . 2]" 3
175 1 20 ILE MG 1 31 ASP H 3.672 . 5.358 5.050 4.730 5.409 0.051 18 0 "[ . 1 . 2]" 3
176 1 25 ALA HA 1 31 ASP H 3.829 . 6.362 6.100 5.626 6.562 0.200 18 0 "[ . 1 . 2]" 3
177 1 30 PRO QB 1 31 ASP H 2.893 . 3.939 3.572 3.233 3.962 0.023 8 0 "[ . 1 . 2]" 3
178 1 30 PRO QD 1 31 ASP H 3.695 . 5.402 4.731 3.906 4.971 . 0 0 "[ . 1 . 2]" 3
179 1 30 PRO QG 1 31 ASP H 3.156 . 6.500 4.852 4.703 4.940 . 0 0 "[ . 1 . 2]" 3
180 1 31 ASP H 1 31 ASP HA 2.844 . 3.855 2.915 2.725 2.947 . 0 0 "[ . 1 . 2]" 3
181 1 31 ASP H 1 31 ASP QB 2.674 . 3.568 2.444 2.332 2.672 . 0 0 "[ . 1 . 2]" 3
182 1 31 ASP H 1 32 CYS QB 3.097 . 4.646 4.015 3.471 4.874 0.228 18 0 "[ . 1 . 2]" 3
183 1 31 ASP H 1 37 ASP QB 3.745 . 6.098 3.596 3.200 4.522 . 0 0 "[ . 1 . 2]" 3
184 1 24 TRP QB 1 31 ASP H 3.469 . 4.973 4.553 4.207 4.794 . 0 0 "[ . 1 . 2]" 3
185 1 31 ASP H 1 38 GLU QG 3.039 . 4.194 3.478 3.232 3.815 . 0 0 "[ . 1 . 2]" 3
186 1 20 ILE MD 1 32 CYS H 2.915 . 4.277 3.678 3.185 4.401 0.124 10 0 "[ . 1 . 2]" 3
187 1 20 ILE MG 1 32 CYS H 3.282 . 4.628 4.162 3.698 4.707 0.079 7 0 "[ . 1 . 2]" 3
188 1 30 PRO HA 1 32 CYS H 2.738 . 3.675 3.538 3.274 3.756 0.081 12 0 "[ . 1 . 2]" 3
189 1 30 PRO QB 1 32 CYS H 3.084 . 4.273 3.890 3.368 4.335 0.062 18 0 "[ . 1 . 2]" 3
190 1 30 PRO QG 1 32 CYS H 3.629 . 5.875 5.685 5.249 6.019 0.144 18 0 "[ . 1 . 2]" 3
191 1 31 ASP QB 1 32 CYS H 2.697 . 3.606 3.139 2.551 3.829 0.223 7 0 "[ . 1 . 2]" 3
192 1 32 CYS H 1 32 CYS QB 2.349 . 3.039 2.382 2.222 2.548 . 0 0 "[ . 1 . 2]" 3
193 1 24 TRP QB 1 32 CYS H 3.650 . 6.165 5.315 4.809 6.335 0.170 7 0 "[ . 1 . 2]" 3
194 1 32 CYS H 1 35 GLY QA 3.118 . 4.334 3.237 2.287 3.917 . 0 0 "[ . 1 . 2]" 3
195 1 32 CYS H 1 37 ASP QB 3.148 . 4.387 3.640 3.167 4.431 0.044 10 0 "[ . 1 . 2]" 3
196 1 32 CYS H 1 38 GLU QG 3.469 . 4.973 4.777 4.499 5.187 0.214 14 0 "[ . 1 . 2]" 3
197 1 32 CYS QB 1 34 ASP H 3.589 . 5.199 2.666 2.322 3.455 . 0 0 "[ . 1 . 2]" 3
198 1 33 GLU HA 1 34 ASP H 3.772 . 5.550 3.441 2.824 3.571 . 0 0 "[ . 1 . 2]" 3
199 1 33 GLU QB 1 34 ASP H 3.650 . 5.315 2.913 1.979 3.835 0.006 4 0 "[ . 1 . 2]" 3
200 1 33 GLU QG 1 34 ASP H 3.860 . 5.723 4.575 4.039 4.955 . 0 0 "[ . 1 . 2]" 3
201 1 34 ASP H 1 34 ASP QB 3.398 . 4.841 2.582 2.290 3.048 . 0 0 "[ . 1 . 2]" 3
202 1 34 ASP H 1 35 GLY QA 3.929 . 5.859 3.973 3.577 4.466 . 0 0 "[ . 1 . 2]" 3
203 1 14 CYS QB 1 35 GLY H 3.589 . 5.399 4.575 4.184 4.979 . 0 0 "[ . 1 . 2]" 3
204 1 16 SER QB 1 35 GLY H 3.570 . 5.163 4.466 3.932 5.024 . 0 0 "[ . 1 . 2]" 3
205 1 30 PRO QB 1 35 GLY H 2.906 . 3.961 3.928 3.634 4.086 0.125 5 0 "[ . 1 . 2]" 3
206 1 30 PRO QG 1 35 GLY H 4.148 . 6.299 5.721 5.561 5.847 . 0 0 "[ . 1 . 2]" 3
207 1 32 CYS HA 1 35 GLY H 3.720 . 5.449 4.558 4.236 5.124 . 0 0 "[ . 1 . 2]" 3
208 1 32 CYS QB 1 35 GLY H 2.741 . 3.680 2.290 2.011 2.856 . 0 0 "[ . 1 . 2]" 3
209 1 33 GLU HA 1 35 GLY H 3.148 . 5.037 4.550 4.110 4.887 . 0 0 "[ . 1 . 2]" 3
210 1 34 ASP HA 1 35 GLY H 2.952 . 4.041 3.306 3.002 3.499 . 0 0 "[ . 1 . 2]" 3
211 1 34 ASP QB 1 35 GLY H 3.242 . 4.556 3.290 2.842 3.744 . 0 0 "[ . 1 . 2]" 3
212 1 35 GLY H 1 35 GLY QA 2.256 . 2.892 2.310 2.188 2.410 . 0 0 "[ . 1 . 2]" 3
213 1 35 GLY H 1 36 SER QB 3.517 . 5.063 4.579 4.314 5.151 0.088 16 0 "[ . 1 . 2]" 3
214 1 32 CYS QB 1 36 SER H 2.514 . 3.304 2.703 2.071 3.248 . 0 0 "[ . 1 . 2]" 3
215 1 34 ASP HA 1 36 SER H 3.589 . 5.599 4.665 4.364 4.931 . 0 0 "[ . 1 . 2]" 3
216 1 52 ASP QB 1 53 SER H 3.629 . 5.275 2.694 1.917 3.791 0.066 18 0 "[ . 1 . 2]" 3
217 1 35 GLY QA 1 36 SER H 2.815 . 3.806 2.882 2.791 2.930 . 0 0 "[ . 1 . 2]" 3
218 1 36 SER H 1 36 SER QB 2.436 . 3.178 2.838 2.452 2.984 . 0 0 "[ . 1 . 2]" 3
219 1 14 CYS QB 1 36 SER H 3.141 . 4.374 3.891 3.305 4.432 0.058 18 0 "[ . 1 . 2]" 3
220 1 36 SER H 1 39 TRP HH2 3.860 . 5.723 5.326 4.766 5.817 0.094 11 0 "[ . 1 . 2]" 3
221 1 36 SER H 1 39 TRP HZ2 3.894 . 5.789 4.778 4.337 5.383 . 0 0 "[ . 1 . 2]" 3
222 1 12 PHE QE 1 37 ASP H 3.589 . 5.199 4.047 3.644 4.591 . 0 0 "[ . 1 . 2]" 3
223 1 30 PRO QB 1 37 ASP H 4.148 . 6.299 4.811 4.175 5.139 . 0 0 "[ . 1 . 2]" 3
224 1 32 CYS QB 1 37 ASP H 2.619 . 3.477 2.456 2.228 2.738 . 0 0 "[ . 1 . 2]" 3
225 1 35 GLY QA 1 37 ASP H 3.197 . 4.475 3.270 3.002 3.511 . 0 0 "[ . 1 . 2]" 3
226 1 37 ASP H 1 37 ASP QB 2.730 . 3.661 2.626 2.064 2.747 . 0 0 "[ . 1 . 2]" 3
227 1 37 ASP H 1 38 GLU QB 3.314 . 5.087 5.101 4.926 5.361 0.274 19 0 "[ . 1 . 2]" 3
228 1 37 ASP H 1 38 GLU QG 3.589 . 5.199 4.193 3.910 4.425 . 0 0 "[ . 1 . 2]" 3
229 1 37 ASP H 1 39 TRP QB 3.800 . 5.605 4.528 4.220 4.832 . 0 0 "[ . 1 . 2]" 3
230 1 37 ASP H 1 39 TRP HD1 3.860 . 6.123 5.774 5.338 6.124 0.001 19 0 "[ . 1 . 2]" 3
231 1 30 PRO HA 1 38 GLU H 3.454 . 4.945 3.393 3.143 3.664 . 0 0 "[ . 1 . 2]" 3
232 1 32 CYS QB 1 38 GLU H 3.695 . 5.402 4.565 4.181 4.811 . 0 0 "[ . 1 . 2]" 3
233 1 35 GLY QA 1 38 GLU H 3.589 . 5.199 3.540 3.099 4.127 . 0 0 "[ . 1 . 2]" 3
234 1 36 SER HA 1 38 GLU H 3.064 . 4.838 4.486 4.082 4.875 0.037 11 0 "[ . 1 . 2]" 3
235 1 37 ASP QB 1 38 GLU H 3.148 . 4.787 3.134 2.981 3.262 . 0 0 "[ . 1 . 2]" 3
236 1 38 GLU H 1 38 GLU HA 2.669 . 3.560 2.894 2.848 2.934 . 0 0 "[ . 1 . 2]" 3
237 1 38 GLU H 1 38 GLU QB 2.589 . 3.427 2.669 2.564 2.813 . 0 0 "[ . 1 . 2]" 3
238 1 38 GLU H 1 38 GLU QG 2.822 . 3.818 1.999 1.844 2.154 . 0 0 "[ . 1 . 2]" 3
239 1 38 GLU H 1 39 TRP HD1 3.500 . 5.031 4.715 4.485 4.971 . 0 0 "[ . 1 . 2]" 3
240 1 26 CYS HA 1 39 TRP H 3.360 . 5.171 4.975 4.238 5.254 0.083 8 0 "[ . 1 . 2]" 3
241 1 37 ASP QB 1 39 TRP H 3.325 . 5.007 4.822 4.558 4.981 . 0 0 "[ . 1 . 2]" 3
242 1 39 TRP H 1 42 ARG QB 2.765 . 3.721 3.397 2.560 3.729 0.008 1 0 "[ . 1 . 2]" 3
243 1 38 GLU QG 1 39 TRP H 3.348 . 4.749 4.150 3.784 4.635 . 0 0 "[ . 1 . 2]" 3
244 1 39 TRP H 1 39 TRP HA 2.532 . 3.334 2.758 2.616 2.949 . 0 0 "[ . 1 . 2]" 3
245 1 39 TRP H 1 39 TRP QB 2.388 . 3.101 2.334 2.150 2.425 . 0 0 "[ . 1 . 2]" 3
246 1 39 TRP H 1 39 TRP HD1 2.962 . 4.059 3.291 2.799 4.001 . 0 0 "[ . 1 . 2]" 3
247 1 39 TRP H 1 40 PRO QB 3.860 . 6.500 6.521 6.265 6.634 0.134 16 0 "[ . 1 . 2]" 3
248 1 39 TRP H 1 40 PRO QD 2.833 . 6.500 4.293 4.216 4.384 . 0 0 "[ . 1 . 2]" 3
249 1 39 TRP H 1 42 ARG QG 3.206 . 4.791 4.655 4.017 5.044 0.253 1 0 "[ . 1 . 2]" 3
250 1 34 ASP QB 1 39 TRP HE1 4.050 . 6.100 4.537 3.781 5.113 . 0 0 "[ . 1 . 2]" 3
251 1 36 SER HA 1 39 TRP HE1 2.897 . 6.500 4.355 3.410 4.781 . 0 0 "[ . 1 . 2]" 3
252 1 39 TRP HA 1 39 TRP HE1 2.924 . 6.500 4.458 4.411 4.485 . 0 0 "[ . 1 . 2]" 3
253 1 39 TRP HE1 1 40 PRO QD 3.325 . 6.500 4.824 4.501 4.965 . 0 0 "[ . 1 . 2]" 3
254 1 40 PRO HA 1 42 ARG H 3.517 . 5.063 4.403 3.593 5.197 0.134 14 0 "[ . 1 . 2]" 3
255 1 39 TRP QB 1 42 ARG H 2.741 . 3.680 2.629 2.421 2.987 . 0 0 "[ . 1 . 2]" 3
256 1 41 GLN QG 1 42 ARG H 3.303 . 4.667 2.185 1.872 3.253 0.067 16 0 "[ . 1 . 2]" 3
257 1 42 ARG H 1 42 ARG QB 2.546 . 3.356 2.334 2.228 2.533 . 0 0 "[ . 1 . 2]" 3
258 1 42 ARG H 1 42 ARG QD 3.104 . 4.308 4.222 3.941 4.408 0.100 12 0 "[ . 1 . 2]" 3
259 1 42 ARG H 1 42 ARG QG 2.852 . 3.869 2.726 2.409 3.241 . 0 0 "[ . 1 . 2]" 3
260 1 42 ARG H 1 42 ARG HA 2.826 . 3.824 2.874 2.701 2.937 . 0 0 "[ . 1 . 2]" 3
261 1 42 ARG H 1 43 CYS QB 2.967 . 6.500 4.120 3.404 4.979 . 0 0 "[ . 1 . 2]" 3
262 1 26 CYS QB 1 43 CYS H 3.411 . 6.500 5.277 4.822 5.968 . 0 0 "[ . 1 . 2]" 3
263 1 40 PRO HA 1 43 CYS H 2.915 . 5.177 4.326 3.316 5.063 . 0 0 "[ . 1 . 2]" 3
264 1 40 PRO QB 1 43 CYS H 3.242 . 6.500 5.254 4.609 5.931 . 0 0 "[ . 1 . 2]" 3
265 1 41 GLN HA 1 43 CYS H 3.570 . 5.163 4.077 3.857 4.877 . 0 0 "[ . 1 . 2]" 3
266 1 41 GLN QG 1 43 CYS H 3.829 . 5.662 4.616 4.011 5.261 . 0 0 "[ . 1 . 2]" 3
267 1 43 CYS H 1 43 CYS HA 2.460 . 3.216 2.863 2.795 2.926 . 0 0 "[ . 1 . 2]" 3
268 1 43 CYS H 1 43 CYS QB 2.241 . 2.869 2.661 2.236 2.987 0.118 17 0 "[ . 1 . 2]" 3
269 1 43 CYS H 1 44 ARG HA 3.650 . 5.315 4.793 4.333 5.537 0.222 20 0 "[ . 1 . 2]" 3
270 1 43 CYS H 1 46 LEU MD2 3.829 . 5.662 2.763 1.847 4.375 0.149 7 0 "[ . 1 . 2]" 3
271 1 40 PRO HA 1 44 ARG H 4.097 . 6.195 4.503 3.210 6.156 . 0 0 "[ . 1 . 2]" 3
272 1 43 CYS HA 1 44 ARG H 3.016 . 4.153 3.359 2.583 3.572 . 0 0 "[ . 1 . 2]" 3
273 1 43 CYS QB 1 44 ARG H 3.104 . 4.308 2.625 1.856 3.898 0.044 6 0 "[ . 1 . 2]" 3
274 1 44 ARG H 1 44 ARG QB 2.429 . 3.167 2.728 2.568 3.134 . 0 0 "[ . 1 . 2]" 3
275 1 51 GLY QA 1 52 ASP H 4.599 . 7.242 2.309 2.109 2.819 . 0 0 "[ . 1 . 2]" 3
276 1 44 ARG H 1 44 ARG QG 2.906 . 3.961 2.439 1.932 3.573 . 0 0 "[ . 1 . 2]" 3
277 1 45 GLY QA 1 46 LEU H 3.045 . 4.204 2.708 2.470 2.915 . 0 0 "[ . 1 . 2]" 3
278 1 46 LEU H 1 46 LEU QB 2.860 . 3.882 2.506 2.231 2.651 . 0 0 "[ . 1 . 2]" 3
279 1 46 LEU H 1 46 LEU HG 3.282 . 4.628 4.320 3.872 4.650 0.022 6 0 "[ . 1 . 2]" 3
280 1 45 GLY QA 1 47 TYR H 3.534 . 5.095 4.426 3.651 5.090 . 0 0 "[ . 1 . 2]" 3
281 1 43 CYS HA 1 47 TYR H 2.801 . 3.782 3.401 2.785 3.918 0.136 5 0 "[ . 1 . 2]" 3
282 1 46 LEU QB 1 47 TYR H 3.242 . 4.556 2.293 1.877 2.857 0.051 7 0 "[ . 1 . 2]" 3
283 1 46 LEU MD1 1 47 TYR H 3.745 . 5.498 4.496 4.299 4.758 . 0 0 "[ . 1 . 2]" 3
284 1 46 LEU MD2 1 47 TYR H 3.608 . 5.235 3.603 3.412 3.836 . 0 0 "[ . 1 . 2]" 3
285 1 47 TYR H 1 47 TYR QB 2.864 . 3.889 2.612 2.435 2.908 . 0 0 "[ . 1 . 2]" 3
286 1 47 TYR HA 1 48 VAL H 2.637 . 3.506 2.969 2.148 3.572 0.066 16 0 "[ . 1 . 2]" 3
287 1 47 TYR QB 1 48 VAL H 3.111 . 4.165 3.429 1.855 4.044 0.046 12 0 "[ . 1 . 2]" 3
288 1 46 LEU H 1 47 TYR QD 4.097 . 6.195 3.127 2.764 3.390 . 0 0 "[ . 1 . 2]" 3
289 1 48 VAL H 1 48 VAL HB 3.010 . 4.143 3.310 2.565 3.774 . 0 0 "[ . 1 . 2]" 3
290 1 48 VAL H 1 48 VAL MG2 2.864 . 3.889 2.687 2.008 3.154 . 0 0 "[ . 1 . 2]" 3
291 1 48 VAL HA 1 49 PHE H 2.772 . 3.732 3.049 2.154 3.571 . 0 0 "[ . 1 . 2]" 3
292 1 49 PHE H 1 49 PHE QB 3.077 . 4.261 3.053 2.449 3.481 . 0 0 "[ . 1 . 2]" 3
293 1 54 SER HA 1 56 CYS H 3.206 . 4.791 4.123 3.970 4.654 . 0 0 "[ . 1 . 2]" 3
294 1 55 PRO HA 1 56 CYS H 2.433 . 6.500 3.254 3.008 3.555 . 0 0 "[ . 1 . 2]" 3
295 1 55 PRO QB 1 56 CYS H 2.741 . 3.880 3.694 2.841 3.974 0.094 11 0 "[ . 1 . 2]" 3
296 1 55 PRO QD 1 56 CYS H 2.692 . 3.598 2.858 2.281 3.204 . 0 0 "[ . 1 . 2]" 3
297 1 55 PRO QG 1 56 CYS H 2.815 . 3.806 3.293 1.931 3.922 0.116 11 0 "[ . 1 . 2]" 3
298 1 56 CYS H 1 56 CYS HA 2.694 . 3.602 2.896 2.684 2.941 . 0 0 "[ . 1 . 2]" 3
299 1 56 CYS H 1 56 CYS QB 2.375 . 3.080 2.891 2.611 3.138 0.058 17 0 "[ . 1 . 2]" 3
300 1 56 CYS H 1 57 SER HA 3.517 . 6.500 5.215 4.551 5.867 . 0 0 "[ . 1 . 2]" 3
301 1 56 CYS H 1 60 GLU QB 3.282 . 6.500 5.019 4.757 5.444 . 0 0 "[ . 1 . 2]" 3
302 1 57 SER QB 1 59 PHE H 3.695 . 5.402 2.551 2.201 2.820 . 0 0 "[ . 1 . 2]" 3
303 1 58 ALA MB 1 59 PHE H 3.372 . 4.794 2.911 2.373 3.458 . 0 0 "[ . 1 . 2]" 3
304 1 59 PHE H 1 59 PHE QB 3.172 . 4.430 2.630 2.533 2.743 . 0 0 "[ . 1 . 2]" 3
305 1 60 GLU H 1 68 CYS QB 3.360 . 6.500 6.594 6.126 6.762 0.262 2 0 "[ . 1 . 2]" 3
306 1 60 GLU H 1 71 SER QB 3.156 . 4.601 4.289 4.074 4.882 0.281 20 0 "[ . 1 . 2]" 3
307 1 57 SER HA 1 60 GLU H 3.720 . 5.449 4.952 4.560 5.112 . 0 0 "[ . 1 . 2]" 3
308 1 57 SER QB 1 60 GLU H 3.156 . 4.401 3.361 2.021 3.695 . 0 0 "[ . 1 . 2]" 3
309 1 59 PHE HA 1 60 GLU H 2.611 . 3.463 3.052 2.892 3.553 0.090 17 0 "[ . 1 . 2]" 3
310 1 59 PHE QB 1 60 GLU H 2.502 . 3.784 3.525 1.967 3.831 0.047 15 0 "[ . 1 . 2]" 3
311 1 59 PHE QD 1 60 GLU H 3.800 . 5.605 4.465 3.519 4.793 . 0 0 "[ . 1 . 2]" 3
312 1 60 GLU H 1 60 GLU QB 2.361 . 3.058 2.691 2.397 2.795 . 0 0 "[ . 1 . 2]" 3
313 1 60 GLU H 1 60 GLU QG 2.511 . 3.299 2.813 2.076 3.031 . 0 0 "[ . 1 . 2]" 3
314 1 60 GLU H 1 70 HIS HA 3.303 . 6.500 5.163 4.565 5.377 . 0 0 "[ . 1 . 2]" 3
315 1 56 CYS QB 1 61 PHE H 2.938 . 4.017 3.565 3.247 4.120 0.103 20 0 "[ . 1 . 2]" 3
316 1 60 GLU HA 1 61 PHE H 2.410 . 3.136 2.589 2.380 2.789 . 0 0 "[ . 1 . 2]" 3
317 1 60 GLU QB 1 61 PHE H 2.575 . 3.404 2.086 1.817 2.462 . 0 0 "[ . 1 . 2]" 3
318 1 60 GLU QG 1 61 PHE H 2.750 . 6.500 3.820 3.533 3.996 . 0 0 "[ . 1 . 2]" 3
319 1 61 PHE H 1 61 PHE HA 2.860 . 3.882 2.933 2.912 2.949 . 0 0 "[ . 1 . 2]" 3
320 1 61 PHE H 1 61 PHE QB 2.502 . 3.284 2.555 2.344 2.689 . 0 0 "[ . 1 . 2]" 3
321 1 61 PHE H 1 61 PHE QD 3.425 . 4.891 4.247 4.166 4.401 . 0 0 "[ . 1 . 2]" 3
322 1 61 PHE H 1 68 CYS QB 3.272 . 4.610 4.210 3.799 4.789 0.179 20 0 "[ . 1 . 2]" 3
323 1 61 PHE H 1 69 ILE QG 2.795 . 3.771 3.432 3.324 3.578 . 0 0 "[ . 1 . 2]" 3
324 1 61 PHE H 1 71 SER HA 2.812 . 4.200 3.859 3.365 4.274 0.074 19 0 "[ . 1 . 2]" 3
325 1 61 PHE H 1 74 ARG QB 3.589 . 5.899 5.339 4.959 5.878 . 0 0 "[ . 1 . 2]" 3
326 1 56 CYS QB 1 62 HIS H 3.745 . 5.498 4.340 4.033 5.123 . 0 0 "[ . 1 . 2]" 3
327 1 61 PHE HA 1 62 HIS H 2.307 . 2.972 2.249 2.188 2.307 . 0 0 "[ . 1 . 2]" 3
328 1 61 PHE QB 1 62 HIS H 2.812 . 3.800 3.511 3.397 3.599 . 0 0 "[ . 1 . 2]" 3
329 1 61 PHE QD 1 62 HIS H 3.385 . 4.817 2.785 2.492 3.052 . 0 0 "[ . 1 . 2]" 3
330 1 62 HIS H 1 62 HIS HA 2.795 . 3.771 2.936 2.926 2.947 . 0 0 "[ . 1 . 2]" 3
331 1 62 HIS H 1 62 HIS QB 2.255 . 2.891 2.411 2.330 2.643 . 0 0 "[ . 1 . 2]" 3
332 1 62 HIS H 1 62 HIS HD2 3.894 . 5.789 5.041 4.937 5.159 . 0 0 "[ . 1 . 2]" 3
333 1 62 HIS H 1 63 CYS QB 4.204 . 6.413 5.446 4.975 5.722 . 0 0 "[ . 1 . 2]" 3
334 1 62 HIS HA 1 63 CYS H 2.206 . 2.814 2.205 2.149 2.301 . 0 0 "[ . 1 . 2]" 3
335 1 62 HIS QB 1 63 CYS H 2.844 . 6.500 3.657 3.541 3.802 . 0 0 "[ . 1 . 2]" 3
336 1 63 CYS H 1 63 CYS HA 2.626 . 3.488 2.930 2.897 2.946 . 0 0 "[ . 1 . 2]" 3
337 1 63 CYS H 1 63 CYS QB 2.310 . 2.977 2.532 2.130 2.784 . 0 0 "[ . 1 . 2]" 3
338 1 63 CYS H 1 67 GLU QG 3.469 . 4.973 4.460 3.649 5.042 0.069 14 0 "[ . 1 . 2]" 3
339 1 63 CYS H 1 68 CYS HA 2.648 . 3.825 3.325 2.986 4.315 0.490 19 0 "[ . 1 . 2]" 3
340 1 63 CYS H 1 68 CYS QB 3.314 . 6.500 5.252 4.921 6.095 . 0 0 "[ . 1 . 2]" 3
341 1 63 CYS H 1 69 ILE QG 3.224 . 4.523 4.198 3.879 4.512 . 0 0 "[ . 1 . 2]" 3
342 1 63 CYS H 1 69 ILE MG 3.517 . 5.063 4.804 4.582 5.066 0.003 19 0 "[ . 1 . 2]" 3
343 1 61 PHE QE 1 64 LEU H 3.551 . 5.128 4.826 4.557 5.242 0.114 7 0 "[ . 1 . 2]" 3
344 1 63 CYS QB 1 64 LEU H 2.648 . 3.525 2.894 1.981 3.691 0.166 14 0 "[ . 1 . 2]" 3
345 1 64 LEU H 1 64 LEU QB 2.485 . 3.257 2.277 2.201 2.339 . 0 0 "[ . 1 . 2]" 3
346 1 64 LEU H 1 64 LEU MD2 2.957 . 4.050 3.778 3.311 4.091 0.041 10 0 "[ . 1 . 2]" 3
347 1 64 LEU H 1 64 LEU HG 2.682 . 6.500 4.041 3.828 4.651 . 0 0 "[ . 1 . 2]" 3
348 1 64 LEU H 1 85 SER QB 2.808 . 3.794 2.677 1.978 3.443 . 0 0 "[ . 1 . 2]" 3
349 1 63 CYS HA 1 65 SER H 2.978 . 4.786 4.299 3.914 4.918 0.132 20 0 "[ . 1 . 2]" 3
350 1 63 CYS QB 1 65 SER H 2.284 . 3.536 3.281 2.516 4.153 0.617 20 1 "[ . 1 . +]" 3
351 1 64 LEU QB 1 65 SER H 2.641 . 3.513 2.817 2.275 2.965 . 0 0 "[ . 1 . 2]" 3
352 1 64 LEU MD1 1 65 SER H 3.282 . 4.628 4.229 4.004 4.368 . 0 0 "[ . 1 . 2]" 3
353 1 64 LEU MD2 1 65 SER H 3.242 . 6.500 4.774 4.193 4.935 . 0 0 "[ . 1 . 2]" 3
354 1 64 LEU HG 1 65 SER H 3.262 . 6.500 5.199 4.894 5.283 . 0 0 "[ . 1 . 2]" 3
355 1 65 SER H 1 65 SER QB 2.321 . 2.995 2.242 2.057 2.319 . 0 0 "[ . 1 . 2]" 3
356 1 65 SER H 1 66 GLY QA 3.033 . 6.500 4.623 4.525 4.893 . 0 0 "[ . 1 . 2]" 3
357 1 65 SER H 1 82 LYS QB 3.570 . 5.163 5.026 4.653 5.202 0.039 9 0 "[ . 1 . 2]" 3
358 1 65 SER H 1 67 GLU QB 4.410 . 6.841 4.680 4.318 5.285 . 0 0 "[ . 1 . 2]" 3
359 1 65 SER H 1 83 ASP QB 3.084 . 4.273 2.531 2.068 2.801 . 0 0 "[ . 1 . 2]" 3
360 1 63 CYS HA 1 66 GLY H 3.282 . 5.928 5.021 4.681 5.515 . 0 0 "[ . 1 . 2]" 3
361 1 63 CYS QB 1 66 GLY H 2.428 . 4.715 4.289 3.227 5.183 0.468 20 0 "[ . 1 . 2]" 3
362 1 64 LEU QB 1 66 GLY H 3.589 . 5.199 4.354 4.097 4.434 . 0 0 "[ . 1 . 2]" 3
363 1 65 SER HA 1 66 GLY H 2.619 . 3.477 3.264 2.844 3.405 . 0 0 "[ . 1 . 2]" 3
364 1 65 SER QB 1 66 GLY H 2.844 . 3.855 3.486 3.272 3.893 0.038 20 0 "[ . 1 . 2]" 3
365 1 66 GLY H 1 66 GLY QA 2.136 . 2.706 2.242 2.188 2.290 . 0 0 "[ . 1 . 2]" 3
366 1 66 GLY H 1 67 GLU QB 3.894 . 5.789 4.322 4.137 4.655 . 0 0 "[ . 1 . 2]" 3
367 1 66 GLY H 1 67 GLU QG 3.772 . 6.500 5.820 4.810 6.613 0.113 20 0 "[ . 1 . 2]" 3
368 1 63 CYS QB 1 67 GLU H 2.919 . 3.984 3.633 2.446 4.236 0.252 19 0 "[ . 1 . 2]" 3
369 1 66 GLY QA 1 67 GLU H 3.126 . 4.347 2.793 2.387 2.943 . 0 0 "[ . 1 . 2]" 3
370 1 67 GLU H 1 67 GLU QB 2.872 . 3.903 2.450 2.233 2.671 . 0 0 "[ . 1 . 2]" 3
371 1 67 GLU H 1 67 GLU QG 3.262 . 4.592 3.754 2.971 4.057 . 0 0 "[ . 1 . 2]" 3
372 1 56 CYS QB 1 68 CYS H 3.570 . 6.500 5.480 5.247 5.638 . 0 0 "[ . 1 . 2]" 3
373 1 67 GLU QB 1 68 CYS H 2.339 . 6.500 3.502 3.182 3.936 . 0 0 "[ . 1 . 2]" 3
374 1 67 GLU QG 1 68 CYS H 2.650 . 3.528 2.386 1.965 3.242 . 0 0 "[ . 1 . 2]" 3
375 1 56 CYS QB 1 69 ILE H 3.385 . 6.500 3.996 3.880 4.115 . 0 0 "[ . 1 . 2]" 3
376 1 60 GLU QB 1 69 ILE H 3.118 . 6.500 3.545 3.359 3.659 . 0 0 "[ . 1 . 2]" 3
377 1 67 GLU QG 1 69 ILE H 3.314 . 4.687 4.504 4.103 4.739 0.052 11 0 "[ . 1 . 2]" 3
378 1 61 PHE QB 1 69 ILE H 3.027 . 6.500 3.646 3.308 3.927 . 0 0 "[ . 1 . 2]" 3
379 1 68 CYS HA 1 69 ILE H 2.232 . 2.855 2.208 2.110 2.300 . 0 0 "[ . 1 . 2]" 3
380 1 68 CYS QB 1 69 ILE H 2.665 . 6.500 2.884 2.607 3.261 . 0 0 "[ . 1 . 2]" 3
381 1 69 ILE H 1 69 ILE HA 2.791 . 3.765 2.909 2.884 2.917 . 0 0 "[ . 1 . 2]" 3
382 1 69 ILE H 1 69 ILE QG 2.475 . 3.241 2.357 2.288 2.493 . 0 0 "[ . 1 . 2]" 3
383 1 60 GLU QG 1 70 HIS H 3.695 . 5.402 4.488 3.748 4.700 . 0 0 "[ . 1 . 2]" 3
384 1 69 ILE HA 1 70 HIS H 2.363 . 3.061 2.262 2.208 2.367 . 0 0 "[ . 1 . 2]" 3
385 1 69 ILE QG 1 70 HIS H 3.070 . 4.248 4.037 3.820 4.190 . 0 0 "[ . 1 . 2]" 3
386 1 70 HIS H 1 70 HIS HA 2.587 . 3.423 2.735 2.712 2.791 . 0 0 "[ . 1 . 2]" 3
387 1 70 HIS H 1 70 HIS QB 2.315 . 2.985 2.166 2.116 2.206 . 0 0 "[ . 1 . 2]" 3
388 1 70 HIS H 1 70 HIS HD2 3.650 . 5.315 4.561 4.286 4.720 . 0 0 "[ . 1 . 2]" 3
389 1 70 HIS H 1 73 TRP QB 3.589 . 5.199 3.725 3.612 3.797 . 0 0 "[ . 1 . 2]" 3
390 1 61 PHE QD 1 71 SER H 3.860 . 5.923 5.984 5.729 6.102 0.179 2 0 "[ . 1 . 2]" 3
391 1 60 GLU QB 1 71 SER H 2.972 . 4.376 4.084 3.857 4.207 . 0 0 "[ . 1 . 2]" 3
392 1 60 GLU QG 1 71 SER H 2.785 . 3.904 3.872 3.610 3.954 0.050 2 0 "[ . 1 . 2]" 3
393 1 61 PHE QB 1 71 SER H 3.360 . 4.771 3.924 3.647 4.047 . 0 0 "[ . 1 . 2]" 3
394 1 70 HIS QB 1 71 SER H 2.753 . 3.701 3.500 3.362 3.661 . 0 0 "[ . 1 . 2]" 3
395 1 70 HIS HD2 1 71 SER H 3.966 . 5.933 2.967 2.260 4.197 . 0 0 "[ . 1 . 2]" 3
396 1 70 HIS HE1 1 71 SER H 3.800 . 6.500 5.197 4.625 5.518 . 0 0 "[ . 1 . 2]" 3
397 1 71 SER H 1 71 SER QB 2.288 . 2.943 2.067 2.033 2.077 . 0 0 "[ . 1 . 2]" 3
398 1 52 ASP H 1 52 ASP QB 3.252 . 4.574 2.819 2.247 3.393 . 0 0 "[ . 1 . 2]" 3
399 1 69 ILE QG 1 73 TRP H 3.570 . 5.163 5.069 4.897 5.179 0.016 15 0 "[ . 1 . 2]" 3
400 1 72 SER HA 1 73 TRP H 2.988 . 4.104 3.471 3.440 3.494 . 0 0 "[ . 1 . 2]" 3
401 1 72 SER QB 1 73 TRP H 2.901 . 3.953 3.061 2.752 3.649 . 0 0 "[ . 1 . 2]" 3
402 1 73 TRP H 1 73 TRP QB 2.381 . 3.090 2.492 2.465 2.509 . 0 0 "[ . 1 . 2]" 3
403 1 73 TRP H 1 73 TRP HD1 2.646 . 3.521 2.446 2.331 2.581 . 0 0 "[ . 1 . 2]" 3
404 1 70 HIS QB 1 73 TRP HE1 2.962 . 4.059 3.002 2.778 3.134 . 0 0 "[ . 1 . 2]" 3
405 1 74 ARG H 1 76 ASP QB 3.097 . 4.596 4.078 3.875 4.310 . 0 0 "[ . 1 . 2]" 3
406 1 69 ILE MD 1 74 ARG H 3.517 . 5.063 3.447 3.208 3.688 . 0 0 "[ . 1 . 2]" 3
407 1 71 SER HA 1 74 ARG H 2.915 . 3.977 3.480 3.213 3.781 . 0 0 "[ . 1 . 2]" 3
408 1 72 SER HA 1 74 ARG H 2.897 . 4.546 3.583 3.447 3.775 . 0 0 "[ . 1 . 2]" 3
409 1 73 TRP QB 1 74 ARG H 2.893 . 3.939 3.328 3.122 3.551 . 0 0 "[ . 1 . 2]" 3
410 1 73 TRP HD1 1 74 ARG H 3.672 . 5.358 4.469 4.416 4.508 . 0 0 "[ . 1 . 2]" 3
411 1 74 ARG H 1 74 ARG HA 2.665 . 3.552 2.896 2.852 2.922 . 0 0 "[ . 1 . 2]" 3
412 1 74 ARG H 1 74 ARG QB 2.167 . 2.754 2.291 2.169 2.364 . 0 0 "[ . 1 . 2]" 3
413 1 74 ARG H 1 74 ARG QD 3.010 . 4.493 4.479 4.416 4.535 0.042 20 0 "[ . 1 . 2]" 3
414 1 74 ARG H 1 74 ARG QG 2.502 . 6.500 3.968 3.849 4.035 . 0 0 "[ . 1 . 2]" 3
415 1 74 ARG H 1 86 ASP QB 3.262 . 4.592 4.533 4.415 4.678 0.086 20 0 "[ . 1 . 2]" 3
416 1 69 ILE MD 1 75 CYS H 3.206 . 4.891 4.597 4.413 4.932 0.041 20 0 "[ . 1 . 2]" 3
417 1 74 ARG QB 1 75 CYS H 2.765 . 3.921 3.750 3.358 3.867 . 0 0 "[ . 1 . 2]" 3
418 1 74 ARG QD 1 75 CYS H 2.506 . 4.341 4.263 3.723 4.440 0.099 6 0 "[ . 1 . 2]" 3
419 1 74 ARG QG 1 75 CYS H 2.628 . 3.491 2.773 2.221 2.974 . 0 0 "[ . 1 . 2]" 3
420 1 75 CYS H 1 75 CYS QB 2.510 . 3.297 3.136 2.664 3.453 0.156 17 0 "[ . 1 . 2]" 3
421 1 75 CYS H 1 76 ASP HA 3.772 . 5.550 5.238 5.109 5.474 . 0 0 "[ . 1 . 2]" 3
422 1 75 CYS H 1 86 ASP QB 2.653 . 3.533 1.955 1.807 2.120 . 0 0 "[ . 1 . 2]" 3
423 1 75 CYS H 1 87 GLU HA 2.942 . 4.324 3.675 3.344 3.950 . 0 0 "[ . 1 . 2]" 3
424 1 74 ARG QB 1 76 ASP H 3.411 . 5.666 5.225 4.250 5.484 . 0 0 "[ . 1 . 2]" 3
425 1 74 ARG QG 1 76 ASP H 4.333 . 6.680 5.192 4.607 5.316 . 0 0 "[ . 1 . 2]" 3
426 1 75 CYS HA 1 76 ASP H 2.272 . 3.117 2.716 2.558 3.198 0.081 20 0 "[ . 1 . 2]" 3
427 1 75 CYS QB 1 76 ASP H 2.657 . 6.500 3.907 3.556 4.014 . 0 0 "[ . 1 . 2]" 3
428 1 76 ASP H 1 76 ASP HA 2.513 . 3.302 2.914 2.724 2.945 . 0 0 "[ . 1 . 2]" 3
429 1 76 ASP H 1 76 ASP QB 2.461 . 3.218 2.658 2.254 2.810 . 0 0 "[ . 1 . 2]" 3
430 1 76 ASP H 1 77 GLY QA 2.531 . 6.500 4.306 4.016 4.767 . 0 0 "[ . 1 . 2]" 3
431 1 73 TRP HA 1 76 ASP H 3.425 . 5.291 4.568 4.202 5.123 . 0 0 "[ . 1 . 2]" 3
432 1 75 CYS HA 1 77 GLY H 2.687 . 4.289 3.264 3.081 4.373 0.084 20 0 "[ . 1 . 2]" 3
433 1 76 ASP HA 1 77 GLY H 2.952 . 4.041 3.264 3.153 3.608 . 0 0 "[ . 1 . 2]" 3
434 1 76 ASP QB 1 77 GLY H 3.016 . 4.153 3.857 2.931 3.970 . 0 0 "[ . 1 . 2]" 3
435 1 77 GLY H 1 77 GLY QA 2.104 . 2.657 2.283 2.216 2.469 . 0 0 "[ . 1 . 2]" 3
436 1 77 GLY H 1 78 GLY QA 3.164 . 4.415 4.490 3.778 4.624 0.209 7 0 "[ . 1 . 2]" 3
437 1 77 GLY H 1 87 GLU HA 3.608 . 5.735 4.587 4.232 5.349 . 0 0 "[ . 1 . 2]" 3
438 1 77 GLY H 1 87 GLU QG 3.027 . 4.373 4.016 3.634 4.342 . 0 0 "[ . 1 . 2]" 3
439 1 79 PRO HA 1 80 ASP H 2.399 . 3.119 2.184 2.149 2.244 . 0 0 "[ . 1 . 2]" 3
440 1 79 PRO QB 1 80 ASP H 2.765 . 3.721 3.532 3.348 3.717 . 0 0 "[ . 1 . 2]" 3
441 1 79 PRO QD 1 80 ASP H 3.772 . 5.550 4.761 4.578 4.909 . 0 0 "[ . 1 . 2]" 3
442 1 79 PRO QG 1 80 ASP H 3.303 . 6.500 4.693 4.630 4.739 . 0 0 "[ . 1 . 2]" 3
443 1 80 ASP H 1 80 ASP QB 2.591 . 3.430 2.435 2.320 2.532 . 0 0 "[ . 1 . 2]" 3
444 1 80 ASP H 1 81 CYS HA 3.372 . 4.994 4.845 4.625 4.981 . 0 0 "[ . 1 . 2]" 3
445 1 80 ASP H 1 84 LYS QD 3.695 . 5.402 5.342 5.106 5.464 0.062 8 0 "[ . 1 . 2]" 3
446 1 80 ASP H 1 87 GLU QG 3.033 . 4.183 3.702 3.549 3.881 . 0 0 "[ . 1 . 2]" 3
447 1 79 PRO HA 1 81 CYS H 2.769 . 3.727 3.520 3.434 3.746 0.019 20 0 "[ . 1 . 2]" 3
448 1 79 PRO QG 1 81 CYS H 4.007 . 6.014 5.090 4.592 5.836 . 0 0 "[ . 1 . 2]" 3
449 1 80 ASP QB 1 81 CYS H 2.756 . 3.706 3.350 2.813 3.814 0.108 10 0 "[ . 1 . 2]" 3
450 1 81 CYS H 1 81 CYS QB 2.339 . 3.023 2.585 2.176 2.814 . 0 0 "[ . 1 . 2]" 3
451 1 79 PRO QB 1 81 CYS H 3.058 . 4.227 3.552 3.100 4.255 0.028 20 0 "[ . 1 . 2]" 3
452 1 81 CYS H 1 84 LYS QG 3.215 . 4.807 3.811 3.370 4.079 . 0 0 "[ . 1 . 2]" 3
453 1 65 SER QB 1 82 LYS H 3.500 . 5.031 3.471 2.802 4.052 . 0 0 "[ . 1 . 2]" 3
454 1 81 CYS HA 1 82 LYS H 2.694 . 3.602 2.219 2.176 2.341 . 0 0 "[ . 1 . 2]" 3
455 1 81 CYS QB 1 82 LYS H 2.957 . 4.050 3.526 2.721 3.665 . 0 0 "[ . 1 . 2]" 3
456 1 82 LYS H 1 82 LYS QB 2.822 . 3.818 2.238 2.227 2.251 . 0 0 "[ . 1 . 2]" 3
457 1 82 LYS H 1 82 LYS QG 2.972 . 4.076 3.993 3.980 4.003 . 0 0 "[ . 1 . 2]" 3
458 1 65 SER QB 1 83 ASP H 2.461 . 3.218 2.489 2.048 2.965 . 0 0 "[ . 1 . 2]" 3
459 1 81 CYS HA 1 83 ASP H 3.070 . 4.748 3.974 3.865 4.101 . 0 0 "[ . 1 . 2]" 3
460 1 81 CYS QB 1 83 ASP H 2.376 . 3.732 3.186 2.244 3.422 . 0 0 "[ . 1 . 2]" 3
461 1 82 LYS HA 1 83 ASP H 2.756 . 3.706 3.483 3.456 3.511 . 0 0 "[ . 1 . 2]" 3
462 1 82 LYS QB 1 83 ASP H 2.571 . 3.398 2.832 2.721 2.941 . 0 0 "[ . 1 . 2]" 3
463 1 82 LYS QG 1 83 ASP H 2.952 . 6.500 4.047 3.871 4.259 . 0 0 "[ . 1 . 2]" 3
464 1 83 ASP H 1 83 ASP HA 2.599 . 3.443 2.916 2.894 2.943 . 0 0 "[ . 1 . 2]" 3
465 1 83 ASP H 1 83 ASP QB 2.484 . 3.255 2.336 2.249 2.494 . 0 0 "[ . 1 . 2]" 3
466 1 65 SER HA 1 83 ASP H 2.601 . 6.500 5.047 4.631 5.619 . 0 0 "[ . 1 . 2]" 3
467 1 83 ASP H 1 84 LYS QB 3.425 . 6.500 4.470 4.359 4.799 . 0 0 "[ . 1 . 2]" 3
468 1 81 CYS HA 1 84 LYS H 3.262 . 4.892 4.322 4.097 4.713 . 0 0 "[ . 1 . 2]" 3
469 1 81 CYS QB 1 84 LYS H 2.387 . 3.099 2.259 1.964 2.928 . 0 0 "[ . 1 . 2]" 3
470 1 82 LYS HA 1 84 LYS H 3.233 . 4.939 4.649 3.951 4.894 . 0 0 "[ . 1 . 2]" 3
471 1 82 LYS QB 1 84 LYS H 3.282 . 4.628 4.803 4.655 4.874 0.246 2 0 "[ . 1 . 2]" 3
472 1 83 ASP HA 1 84 LYS H 2.876 . 3.910 3.455 2.873 3.536 . 0 0 "[ . 1 . 2]" 3
473 1 83 ASP QB 1 84 LYS H 3.033 . 4.183 2.726 2.452 3.781 . 0 0 "[ . 1 . 2]" 3
474 1 84 LYS H 1 84 LYS QB 2.527 . 3.325 2.980 2.539 3.088 . 0 0 "[ . 1 . 2]" 3
475 1 84 LYS H 1 84 LYS QG 2.487 . 6.500 4.057 3.586 4.159 . 0 0 "[ . 1 . 2]" 3
476 1 64 LEU QB 1 85 SER H 3.303 . 4.667 3.876 3.269 4.443 . 0 0 "[ . 1 . 2]" 3
477 1 81 CYS HA 1 85 SER H 3.800 . 6.500 6.156 5.412 6.446 . 0 0 "[ . 1 . 2]" 3
478 1 81 CYS QB 1 85 SER H 2.571 . 3.398 3.257 2.406 3.506 0.108 16 0 "[ . 1 . 2]" 3
479 1 83 ASP QB 1 85 SER H 3.570 . 5.163 2.621 2.356 3.242 . 0 0 "[ . 1 . 2]" 3
480 1 84 LYS HA 1 85 SER H 3.010 . 4.143 2.876 2.759 3.007 . 0 0 "[ . 1 . 2]" 3
481 1 84 LYS QB 1 85 SER H 3.894 . 5.789 3.824 3.728 3.922 . 0 0 "[ . 1 . 2]" 3
482 1 85 SER H 1 85 SER QB 2.529 . 3.329 2.519 2.056 2.890 . 0 0 "[ . 1 . 2]" 3
483 1 85 SER H 1 88 GLU QB 4.007 . 6.014 4.396 4.221 4.479 . 0 0 "[ . 1 . 2]" 3
484 1 85 SER H 1 88 GLU QG 3.720 . 5.449 4.425 4.141 4.603 . 0 0 "[ . 1 . 2]" 3
485 1 61 PHE HZ 1 86 ASP H 3.745 . 5.498 4.070 3.836 4.349 . 0 0 "[ . 1 . 2]" 3
486 1 74 ARG QD 1 86 ASP H 3.608 . 6.500 6.544 6.463 6.615 0.115 7 0 "[ . 1 . 2]" 3
487 1 85 SER QB 1 86 ASP H 3.027 . 4.173 3.090 2.749 3.454 . 0 0 "[ . 1 . 2]" 3
488 1 84 LYS HA 1 86 ASP H 2.999 . 4.123 3.337 3.213 3.454 . 0 0 "[ . 1 . 2]" 3
489 1 84 LYS QB 1 86 ASP H 3.484 . 5.002 4.829 4.702 4.958 . 0 0 "[ . 1 . 2]" 3
490 1 86 ASP H 1 86 ASP QB 2.318 . 2.990 2.654 2.585 2.758 . 0 0 "[ . 1 . 2]" 3
491 1 86 ASP H 1 87 GLU QG 3.180 . 4.444 4.208 4.119 4.473 0.029 19 0 "[ . 1 . 2]" 3
492 1 86 ASP H 1 88 GLU QB 3.517 . 5.063 4.442 4.272 4.543 . 0 0 "[ . 1 . 2]" 3
493 1 84 LYS HA 1 87 GLU H 3.303 . 4.667 3.777 3.622 4.319 . 0 0 "[ . 1 . 2]" 3
494 1 85 SER HA 1 87 GLU H 2.994 . 5.164 4.651 4.404 5.437 0.273 20 0 "[ . 1 . 2]" 3
495 1 86 ASP QB 1 87 GLU H 2.868 . 3.896 3.068 2.463 3.195 . 0 0 "[ . 1 . 2]" 3
496 1 87 GLU H 1 87 GLU HA 2.650 . 3.528 2.849 2.713 2.887 . 0 0 "[ . 1 . 2]" 3
497 1 87 GLU H 1 87 GLU QB 2.279 . 2.928 2.651 2.598 2.789 . 0 0 "[ . 1 . 2]" 3
498 1 87 GLU H 1 87 GLU QG 2.390 . 3.104 1.964 1.885 2.071 . 0 0 "[ . 1 . 2]" 3
499 1 87 GLU H 1 88 GLU QB 2.733 . 6.500 4.362 4.251 4.675 . 0 0 "[ . 1 . 2]" 3
500 1 86 ASP QB 1 88 GLU H 3.411 . 6.500 4.756 4.592 4.856 . 0 0 "[ . 1 . 2]" 3
501 1 87 GLU HA 1 88 GLU H 2.617 . 3.473 3.451 3.269 3.541 0.068 19 0 "[ . 1 . 2]" 3
502 1 87 GLU QB 1 88 GLU H 2.689 . 3.593 2.942 2.522 3.438 . 0 0 "[ . 1 . 2]" 3
503 1 88 GLU H 1 88 GLU HA 2.323 . 2.998 2.836 2.728 2.925 . 0 0 "[ . 1 . 2]" 3
504 1 88 GLU H 1 88 GLU QB 2.032 . 2.548 2.221 2.195 2.307 . 0 0 "[ . 1 . 2]" 3
505 1 88 GLU H 1 88 GLU QG 2.308 . 3.524 2.735 2.655 2.937 . 0 0 "[ . 1 . 2]" 3
506 1 88 GLU QB 1 89 ASN HD21 3.517 . 5.063 4.072 3.250 4.517 . 0 0 "[ . 1 . 2]" 3
507 1 89 ASN QB 1 89 ASN HD21 2.672 . 3.564 2.139 2.089 2.433 . 0 0 "[ . 1 . 2]" 3
508 1 88 GLU QB 1 89 ASN HD22 4.148 . 6.299 5.127 3.825 5.674 . 0 0 "[ . 1 . 2]" 3
509 1 89 ASN HA 1 89 ASN HD22 3.772 . 5.550 5.211 5.012 5.308 . 0 0 "[ . 1 . 2]" 3
510 1 89 ASN QB 1 89 ASN HD22 2.689 . 3.593 3.256 3.217 3.367 . 0 0 "[ . 1 . 2]" 3
511 1 89 ASN HA 1 90 CYS H 3.303 . 4.667 3.548 3.502 3.581 . 0 0 "[ . 1 . 2]" 3
512 1 89 ASN QB 1 90 CYS H 3.720 . 5.449 3.373 3.182 3.562 . 0 0 "[ . 1 . 2]" 3
513 1 90 CYS H 1 90 CYS QB 2.812 . 3.800 2.176 2.037 2.954 . 0 0 "[ . 1 . 2]" 3
514 1 91 ALA MB 1 92 VAL H 3.454 . 4.945 3.570 2.194 3.721 . 0 0 "[ . 1 . 2]" 3
515 1 92 VAL H 1 92 VAL HB 3.695 . 5.402 3.184 2.590 3.642 . 0 0 "[ . 1 . 2]" 3
516 1 93 ALA HA 1 94 THR H 2.118 . 2.679 2.387 2.163 2.693 0.014 18 0 "[ . 1 . 2]" 3
517 1 94 THR H 1 94 THR HB 3.720 . 5.449 3.191 2.510 3.976 . 0 0 "[ . 1 . 2]" 3
518 1 65 SER HB2 1 83 ASP HB3 2.479 . 3.497 3.331 2.896 3.613 0.116 2 0 "[ . 1 . 2]" 3
519 1 65 SER HB2 1 83 ASP HB2 2.412 . 3.139 1.974 1.828 2.419 . 0 0 "[ . 1 . 2]" 3
520 1 65 SER HB3 1 82 LYS HE3 3.170 . 4.426 3.901 3.483 4.231 . 0 0 "[ . 1 . 2]" 3
521 1 65 SER HB3 1 83 ASP HB2 2.435 . 3.176 3.175 1.995 3.540 0.364 17 0 "[ . 1 . 2]" 3
522 1 65 SER HB3 1 82 LYS HB3 2.280 . 3.230 3.124 2.350 3.342 0.112 9 0 "[ . 1 . 2]" 3
523 1 61 PHE HZ 1 85 SER HB2 3.512 . 5.054 4.015 3.167 5.113 0.059 20 0 "[ . 1 . 2]" 3
524 1 61 PHE QE 1 85 SER HB2 3.964 . 5.928 4.394 3.448 5.432 . 0 0 "[ . 1 . 2]" 3
525 1 6 THR HB 1 6 THR MG 1.749 . 2.131 2.087 2.071 2.113 . 0 0 "[ . 1 . 2]" 3
526 1 6 THR HB 1 13 GLN HB2 3.493 . 5.018 2.638 1.944 3.975 0.024 8 0 "[ . 1 . 2]" 3
527 1 14 CYS HB3 1 18 THR HB 2.590 . 6.500 3.631 3.077 5.474 . 0 0 "[ . 1 . 2]" 3
528 1 14 CYS HB2 1 18 THR HB 2.373 . 3.777 2.370 1.988 3.925 0.148 20 0 "[ . 1 . 2]" 3
529 1 18 THR HB 1 32 CYS HB3 3.552 . 5.129 3.659 2.925 5.283 0.154 20 0 "[ . 1 . 2]" 3
530 1 18 THR HB 1 33 GLU HB3 3.880 . 5.761 4.826 3.182 5.396 . 0 0 "[ . 1 . 2]" 3
531 1 18 THR HB 1 19 CYS HA 3.942 . 5.884 4.972 4.498 5.626 . 0 0 "[ . 1 . 2]" 3
532 1 7 CYS HB2 1 11 SER QB 1.973 . 3.010 2.878 2.156 3.089 0.079 11 0 "[ . 1 . 2]" 3
533 1 7 CYS HB3 1 11 SER QB 1.964 . 6.500 2.036 1.846 2.561 . 0 0 "[ . 1 . 2]" 3
534 1 11 SER QB 1 12 PHE HA 3.259 . 4.586 3.998 3.750 4.334 . 0 0 "[ . 1 . 2]" 3
535 1 11 SER HA 1 11 SER QB 1.913 . 2.370 2.293 2.157 2.405 0.035 3 0 "[ . 1 . 2]" 3
536 1 11 SER QB 1 19 CYS HA 2.757 . 6.500 5.100 4.303 5.679 . 0 0 "[ . 1 . 2]" 3
537 1 11 SER QB 1 22 GLN HB3 2.944 . 5.827 5.799 5.595 5.943 0.116 8 0 "[ . 1 . 2]" 3
538 1 11 SER QB 1 21 PRO HB2 4.063 . 6.127 5.960 5.537 6.173 0.046 20 0 "[ . 1 . 2]" 3
539 1 11 SER QB 1 12 PHE QD 3.880 . 6.500 5.710 5.489 5.963 . 0 0 "[ . 1 . 2]" 3
540 1 40 PRO HA 1 44 ARG QG 2.995 . 6.500 3.983 3.178 4.567 . 0 0 "[ . 1 . 2]" 3
541 1 40 PRO HA 1 43 CYS HB2 2.585 . 6.500 3.375 2.897 4.304 . 0 0 "[ . 1 . 2]" 3
542 1 39 TRP HB3 1 40 PRO HA 3.632 . 5.281 4.938 4.865 4.979 . 0 0 "[ . 1 . 2]" 3
543 1 40 PRO HA 1 40 PRO HD2 2.906 . 3.961 3.937 3.934 3.940 . 0 0 "[ . 1 . 2]" 3
544 1 40 PRO HA 1 43 CYS HA 3.456 . 5.649 5.711 5.358 5.967 0.318 7 0 "[ . 1 . 2]" 3
545 1 39 TRP HA 1 40 PRO HA 3.399 . 4.843 4.418 4.403 4.446 . 0 0 "[ . 1 . 2]" 3
546 1 40 PRO HA 1 46 LEU MD2 3.698 . 6.500 6.186 5.967 6.721 0.221 16 0 "[ . 1 . 2]" 3
547 1 57 SER HB3 1 59 PHE QE 3.340 . 4.735 4.536 3.763 4.741 0.006 15 0 "[ . 1 . 2]" 3
548 1 57 SER HB2 1 68 CYS QB 3.987 . 6.274 6.155 5.917 6.299 0.025 18 0 "[ . 1 . 2]" 3
549 1 57 SER HB2 1 60 GLU HG3 3.035 . 4.186 2.201 1.920 2.394 . 0 0 "[ . 1 . 2]" 3
550 1 9 PRO HA 1 9 PRO HB2 2.023 . 2.634 2.748 2.709 2.787 0.153 10 0 "[ . 1 . 2]" 3
551 1 9 PRO HA 1 10 ALA MB 3.170 . 4.876 4.667 4.057 5.023 0.147 4 0 "[ . 1 . 2]" 3
552 1 9 PRO HA 1 9 PRO QD 2.399 . 3.318 3.285 3.188 3.381 0.063 16 0 "[ . 1 . 2]" 3
553 1 8 GLY HA2 1 9 PRO HA 3.064 . 4.238 4.399 4.385 4.407 0.169 19 0 "[ . 1 . 2]" 3
554 1 30 PRO HA 1 30 PRO HB2 2.325 . 3.001 2.936 2.893 2.965 . 0 0 "[ . 1 . 2]" 3
555 1 3 PRO HA 1 3 PRO HB2 2.324 . 2.999 2.757 2.747 2.764 . 0 0 "[ . 1 . 2]" 3
556 1 3 PRO HA 1 3 PRO HB3 2.002 . 2.503 2.279 2.275 2.283 . 0 0 "[ . 1 . 2]" 3
557 1 3 PRO HA 1 6 THR MG 3.789 . 5.584 5.585 5.299 5.653 0.069 12 0 "[ . 1 . 2]" 3
558 1 55 PRO HA 1 55 PRO HG2 2.633 . 6.500 3.861 3.850 3.890 . 0 0 "[ . 1 . 2]" 3
559 1 55 PRO HA 1 55 PRO HB2 2.004 . 2.706 2.679 2.652 2.731 0.025 4 0 "[ . 1 . 2]" 3
560 1 55 PRO HA 1 55 PRO HD2 2.890 . 3.934 4.066 4.035 4.093 0.159 10 0 "[ . 1 . 2]" 3
561 1 55 PRO HA 1 55 PRO HD3 2.927 . 3.998 3.774 3.537 3.895 . 0 0 "[ . 1 . 2]" 3
562 1 79 PRO HA 1 84 LYS QG 2.857 . 3.877 1.948 1.833 2.109 0.004 9 0 "[ . 1 . 2]" 3
563 1 79 PRO HA 1 84 LYS QD 2.602 . 3.848 3.637 3.436 3.788 . 0 0 "[ . 1 . 2]" 3
564 1 79 PRO HA 1 79 PRO QD 2.668 . 3.558 3.528 3.504 3.540 . 0 0 "[ . 1 . 2]" 3
565 1 78 GLY HA2 1 79 PRO HA 3.142 . 6.500 4.424 4.419 4.428 . 0 0 "[ . 1 . 2]" 3
566 1 30 PRO HA 1 38 GLU HG2 2.394 . 3.110 2.191 1.928 2.458 . 0 0 "[ . 1 . 2]" 3
567 1 30 PRO HA 1 30 PRO HB3 2.248 . 2.880 2.272 2.259 2.287 . 0 0 "[ . 1 . 2]" 3
568 1 30 PRO HA 1 38 GLU HB3 2.952 . 5.041 4.910 4.613 5.193 0.152 16 0 "[ . 1 . 2]" 3
569 1 30 PRO HA 1 35 GLY HA2 3.038 . 4.192 2.913 2.165 3.276 . 0 0 "[ . 1 . 2]" 3
570 1 30 PRO HA 1 35 GLY HA3 3.184 . 4.451 4.115 3.402 4.595 0.144 12 0 "[ . 1 . 2]" 3
571 1 29 ASP HA 1 30 PRO HA 3.340 . 4.735 4.421 4.411 4.436 . 0 0 "[ . 1 . 2]" 3
572 1 54 SER HA 1 54 SER HB3 2.002 . 2.503 2.337 2.254 2.425 . 0 0 "[ . 1 . 2]" 3
573 1 54 SER HB3 1 55 PRO HG3 3.087 . 4.878 4.783 4.544 5.022 0.144 13 0 "[ . 1 . 2]" 3
574 1 54 SER HB3 1 55 PRO HG2 3.340 . 4.735 4.265 4.041 4.554 . 0 0 "[ . 1 . 2]" 3
575 1 54 SER HB3 1 62 HIS HB3 2.979 . 4.088 3.214 1.977 4.184 0.096 13 0 "[ . 1 . 2]" 3
576 1 53 SER HA 1 53 SER QB . . 2.339 2.285 2.179 2.438 0.099 2 0 "[ . 1 . 2]" 3
577 1 2 SER HB2 1 6 THR MG 3.596 . 5.213 5.127 3.503 5.245 0.032 13 0 "[ . 1 . 2]" 3
578 1 2 SER HB3 1 3 PRO QG 3.151 . 4.392 3.349 3.275 4.372 . 0 0 "[ . 1 . 2]" 3
579 1 16 SER HB2 1 34 ASP HB2 2.944 . 4.027 2.521 1.959 2.898 . 0 0 "[ . 1 . 2]" 3
580 1 16 SER HB3 1 34 ASP HB2 3.264 . 4.596 3.760 2.777 4.399 . 0 0 "[ . 1 . 2]" 3
581 1 16 SER HB3 1 33 GLU HG3 3.608 . 5.235 3.860 3.343 4.643 . 0 0 "[ . 1 . 2]" 3
582 1 2 SER HA 1 2 SER HB3 2.256 . 2.892 2.597 2.279 2.624 . 0 0 "[ . 1 . 2]" 3
583 1 2 SER HA 1 2 SER HB2 2.349 . 3.039 2.985 2.695 3.008 . 0 0 "[ . 1 . 2]" 3
584 1 21 PRO HA 1 23 LEU MD1 2.880 . 3.917 3.701 3.508 3.806 . 0 0 "[ . 1 . 2]" 3
585 1 21 PRO HA 1 21 PRO HB2 2.349 . 3.039 2.832 2.789 2.872 . 0 0 "[ . 1 . 2]" 3
586 1 11 SER HA 1 21 PRO HA 2.232 . 2.855 2.173 1.902 2.357 . 0 0 "[ . 1 . 2]" 3
587 1 21 PRO HA 1 24 TRP HD1 3.742 . 6.500 6.517 6.146 6.672 0.172 5 0 "[ . 1 . 2]" 3
588 1 20 ILE HA 1 21 PRO HA 3.247 . 4.565 4.412 4.402 4.422 . 0 0 "[ . 1 . 2]" 3
589 1 11 SER QB 1 21 PRO HA 2.819 . 3.813 3.390 2.948 3.618 . 0 0 "[ . 1 . 2]" 3
590 1 21 PRO HA 1 21 PRO HD3 2.819 . 3.813 3.210 3.126 3.334 . 0 0 "[ . 1 . 2]" 3
591 1 21 PRO HA 1 22 GLN HA 2.780 . 6.500 4.341 4.327 4.352 . 0 0 "[ . 1 . 2]" 3
592 1 16 SER HB2 1 39 TRP HH2 3.620 . 5.258 5.193 4.582 5.410 0.152 16 0 "[ . 1 . 2]" 3
593 1 16 SER HB2 1 33 GLU HB3 3.038 . 4.192 3.191 2.756 3.567 . 0 0 "[ . 1 . 2]" 3
594 1 94 THR HA 1 94 THR MG 2.668 . 3.558 2.896 2.092 3.227 . 0 0 "[ . 1 . 2]" 3
595 1 16 SER HB3 1 33 GLU HB3 3.095 . 4.292 2.755 2.066 3.345 . 0 0 "[ . 1 . 2]" 3
596 1 18 THR HA 1 19 CYS HA 3.574 . 5.171 4.392 4.355 4.496 . 0 0 "[ . 1 . 2]" 3
597 1 18 THR HA 1 18 THR MG 1.997 . 6.500 2.486 2.262 3.175 . 0 0 "[ . 1 . 2]" 3
598 1 61 PHE HB3 1 71 SER HB2 2.745 . 6.500 5.198 5.070 5.331 . 0 0 "[ . 1 . 2]" 3
599 1 61 PHE HB2 1 71 SER HB2 3.151 . 4.392 4.414 3.996 4.508 0.116 16 0 "[ . 1 . 2]" 3
600 1 71 SER HB2 1 74 ARG HB3 3.727 . 6.463 5.937 5.765 6.170 . 0 0 "[ . 1 . 2]" 3
601 1 60 GLU HB2 1 71 SER HB2 3.532 . 5.891 5.940 5.747 6.031 0.140 8 0 "[ . 1 . 2]" 3
602 1 71 SER HB2 1 74 ARG HB2 3.075 . 5.657 5.490 5.188 5.563 . 0 0 "[ . 1 . 2]" 3
603 1 71 SER HB3 1 74 ARG HB2 3.083 . 5.321 4.786 4.627 4.895 . 0 0 "[ . 1 . 2]" 3
604 1 71 SER HB3 1 74 ARG HG3 3.880 . 6.561 6.583 6.508 6.630 0.069 13 0 "[ . 1 . 2]" 3
605 1 71 SER HB3 1 74 ARG HD2 3.585 . 5.192 5.265 5.102 5.355 0.163 8 0 "[ . 1 . 2]" 3
606 1 61 PHE HB3 1 71 SER HB3 2.763 . 6.500 5.516 5.396 5.711 . 0 0 "[ . 1 . 2]" 3
607 1 71 SER HB3 1 74 ARG HB3 3.423 . 4.887 4.746 4.600 4.899 0.012 8 0 "[ . 1 . 2]" 3
608 1 61 PHE HB2 1 71 SER HB3 3.209 . 4.496 4.534 4.449 4.591 0.095 19 0 "[ . 1 . 2]" 3
609 1 71 SER HB3 1 72 SER HA 3.712 . 5.435 3.991 3.931 4.033 . 0 0 "[ . 1 . 2]" 3
610 1 71 SER HA 1 74 ARG HB2 2.757 . 3.707 2.753 2.627 2.857 . 0 0 "[ . 1 . 2]" 3
611 1 71 SER HA 1 74 ARG HG3 3.204 . 4.487 4.534 4.392 4.627 0.140 1 0 "[ . 1 . 2]" 3
612 1 69 ILE HG13 1 71 SER HA 3.160 . 4.908 4.707 4.558 4.813 . 0 0 "[ . 1 . 2]" 3
613 1 71 SER HA 1 74 ARG HB3 3.087 . 4.278 3.717 3.480 3.975 . 0 0 "[ . 1 . 2]" 3
614 1 61 PHE HB3 1 71 SER HA 2.502 . 3.284 2.754 2.634 2.908 . 0 0 "[ . 1 . 2]" 3
615 1 60 GLU HA 1 71 SER HA 2.815 . 4.006 3.888 3.796 4.106 0.100 20 0 "[ . 1 . 2]" 3
616 1 81 CYS HB3 1 85 SER HA 3.184 . 6.500 6.021 5.191 6.286 . 0 0 "[ . 1 . 2]" 3
617 1 85 SER HA 1 88 GLU HG2 2.157 . 3.689 3.407 2.864 3.784 0.095 19 0 "[ . 1 . 2]" 3
618 1 92 VAL HA 1 92 VAL HB 2.209 . 2.819 2.454 2.298 2.520 . 0 0 "[ . 1 . 2]" 3
619 1 61 PHE HZ 1 85 SER HA 3.347 . 5.548 5.588 5.463 5.669 0.121 18 0 "[ . 1 . 2]" 3
620 1 70 HIS HE1 1 72 SER QB 2.467 . 3.228 3.169 2.784 3.270 0.042 20 0 "[ . 1 . 2]" 3
621 1 61 PHE QE 1 71 SER HA 3.987 . 6.500 6.000 5.855 6.091 . 0 0 "[ . 1 . 2]" 3
622 1 61 PHE QD 1 71 SER HA 2.932 . 4.307 4.184 4.098 4.238 . 0 0 "[ . 1 . 2]" 3
623 1 61 PHE QD 1 71 SER HB3 3.314 . 6.500 6.087 6.008 6.175 . 0 0 "[ . 1 . 2]" 3
624 1 70 HIS HE1 1 72 SER HA 3.225 . 6.500 5.615 5.192 5.791 . 0 0 "[ . 1 . 2]" 3
625 1 72 SER HA 1 73 TRP HD1 3.361 . 4.773 4.363 4.266 4.462 . 0 0 "[ . 1 . 2]" 3
626 1 6 THR HA 1 13 GLN HB2 3.194 . 4.469 2.767 1.965 3.621 . 0 0 "[ . 1 . 2]" 3
627 1 6 THR HA 1 13 GLN HG3 3.757 . 5.522 4.342 3.755 4.926 . 0 0 "[ . 1 . 2]" 3
628 1 6 THR HA 1 7 CYS HB2 3.574 . 6.500 4.585 3.890 5.208 . 0 0 "[ . 1 . 2]" 3
629 1 6 THR HA 1 7 CYS HB3 3.742 . 5.992 5.881 5.251 6.345 0.353 17 0 "[ . 1 . 2]" 3
630 1 6 THR HA 1 7 CYS HA 3.789 . 5.584 4.507 4.310 4.630 . 0 0 "[ . 1 . 2]" 3
631 1 4 VAL MG2 1 6 THR HA 3.021 . 4.162 3.698 3.381 4.168 0.006 16 0 "[ . 1 . 2]" 3
632 1 72 SER HA 1 76 ASP HB2 3.596 . 6.200 6.132 5.737 6.483 0.283 20 0 "[ . 1 . 2]" 3
633 1 71 SER HB2 1 72 SER HA 3.620 . 5.258 5.075 5.020 5.305 0.047 20 0 "[ . 1 . 2]" 3
634 1 70 HIS HA 1 70 HIS HD2 2.745 . 3.687 2.376 2.211 2.942 . 0 0 "[ . 1 . 2]" 3
635 1 70 HIS HA 1 73 TRP HZ2 3.789 . 6.500 6.579 6.524 6.670 0.170 20 0 "[ . 1 . 2]" 3
636 1 70 HIS HA 1 70 HIS HB3 2.359 . 3.055 3.003 2.980 3.020 . 0 0 "[ . 1 . 2]" 3
637 1 82 LYS HA 1 82 LYS HB2 2.222 . 2.839 2.414 2.389 2.440 . 0 0 "[ . 1 . 2]" 3
638 1 60 GLU HG2 1 70 HIS HA 2.358 . 3.353 2.803 2.137 2.966 . 0 0 "[ . 1 . 2]" 3
639 1 69 ILE MG 1 70 HIS HA 3.684 . 5.581 5.684 5.621 5.715 0.134 20 0 "[ . 1 . 2]" 3
640 1 33 GLU HA 1 33 GLU HG2 2.108 . 6.500 2.447 2.222 2.640 . 0 0 "[ . 1 . 2]" 3
641 1 32 CYS HA 1 33 GLU HA 3.552 . 5.129 4.331 4.295 4.447 . 0 0 "[ . 1 . 2]" 3
642 1 32 CYS HB3 1 33 GLU HA 3.574 . 5.171 4.503 4.351 4.621 . 0 0 "[ . 1 . 2]" 3
643 1 36 SER HB3 1 39 TRP HA 4.151 . 6.500 6.460 5.682 6.713 0.213 7 0 "[ . 1 . 2]" 3
644 1 36 SER HB3 1 42 ARG HA 4.151 . 6.500 6.301 5.975 6.583 0.083 11 0 "[ . 1 . 2]" 3
645 1 15 ASN HB2 1 36 SER HB3 2.992 . 4.111 2.543 2.265 2.793 . 0 0 "[ . 1 . 2]" 3
646 1 36 SER HB3 1 39 TRP HE3 3.361 . 4.773 2.958 2.344 3.188 . 0 0 "[ . 1 . 2]" 3
647 1 36 SER HB3 1 39 TRP HZ3 3.184 . 4.451 3.664 3.289 3.870 . 0 0 "[ . 1 . 2]" 3
648 1 36 SER HB2 1 39 TRP HE3 3.314 . 4.687 4.583 4.097 4.746 0.059 11 0 "[ . 1 . 2]" 3
649 1 12 PHE QE 1 36 SER HB2 3.231 . 4.536 3.815 3.478 4.607 0.071 14 0 "[ . 1 . 2]" 3
650 1 36 SER HA 1 39 TRP HE3 3.231 . 4.536 2.894 2.531 3.701 . 0 0 "[ . 1 . 2]" 3
651 1 14 CYS HB3 1 36 SER HB2 3.574 . 5.171 2.527 1.970 3.166 0.007 4 0 "[ . 1 . 2]" 3
652 1 32 CYS HB3 1 36 SER HB2 4.037 . 6.074 3.799 3.345 4.394 . 0 0 "[ . 1 . 2]" 3
653 1 36 SER HA 1 36 SER HB2 2.228 . 6.500 2.961 2.868 3.021 . 0 0 "[ . 1 . 2]" 3
654 1 15 ASN HB2 1 36 SER HB2 3.011 . 4.144 3.708 2.816 4.145 0.001 10 0 "[ . 1 . 2]" 3
655 1 36 SER HA 1 36 SER HB3 2.163 . 2.748 2.297 2.228 2.444 . 0 0 "[ . 1 . 2]" 3
656 1 36 SER HA 1 40 PRO HD2 4.183 . 6.370 5.962 5.720 6.285 . 0 0 "[ . 1 . 2]" 3
657 1 36 SER HA 1 39 TRP HB3 3.099 . 4.300 3.591 3.258 3.981 . 0 0 "[ . 1 . 2]" 3
658 1 15 ASN HB2 1 36 SER HA 3.064 . 4.638 4.554 4.219 4.774 0.136 14 0 "[ . 1 . 2]" 3
659 1 36 SER HA 1 39 TRP HB2 3.307 . 4.674 2.349 2.048 2.802 . 0 0 "[ . 1 . 2]" 3
660 1 20 ILE HG13 1 22 GLN HA 3.209 . 6.500 4.597 4.344 4.680 . 0 0 "[ . 1 . 2]" 3
661 1 33 GLU HA 1 34 ASP HA 3.942 . 5.884 4.511 4.358 4.562 . 0 0 "[ . 1 . 2]" 3
662 1 32 CYS HB2 1 33 GLU HA 4.037 . 6.074 5.207 4.821 5.552 . 0 0 "[ . 1 . 2]" 3
663 1 16 SER HA 1 16 SER HB2 1.976 . 2.464 2.435 2.392 2.563 0.099 12 0 "[ . 1 . 2]" 3
664 1 16 SER HA 1 34 ASP HB3 3.483 . 5.400 5.402 4.910 5.529 0.129 19 0 "[ . 1 . 2]" 3
665 1 15 ASN HB3 1 16 SER HA 3.340 . 4.735 4.355 4.150 4.551 . 0 0 "[ . 1 . 2]" 3
666 1 16 SER HA 1 34 ASP HB2 3.376 . 4.801 4.630 4.052 4.862 0.061 13 0 "[ . 1 . 2]" 3
667 1 16 SER HA 1 33 GLU HG3 3.727 . 6.113 5.790 5.060 6.207 0.094 12 0 "[ . 1 . 2]" 3
668 1 16 SER HA 1 33 GLU HB3 3.574 . 5.171 4.864 4.440 5.182 0.011 11 0 "[ . 1 . 2]" 3
669 1 11 SER HA 1 22 GLN HA 3.137 . 4.367 3.751 3.441 4.277 . 0 0 "[ . 1 . 2]" 3
670 1 12 PHE QD 1 22 GLN HA 2.695 . 6.500 4.143 3.950 4.252 . 0 0 "[ . 1 . 2]" 3
671 1 12 PHE QB 1 22 GLN HA 2.267 . 2.909 2.109 1.946 2.283 . 0 0 "[ . 1 . 2]" 3
672 1 22 GLN HA 1 22 GLN HG3 2.438 . 3.181 2.811 2.670 3.216 0.035 12 0 "[ . 1 . 2]" 3
673 1 20 ILE HG12 1 22 GLN HA 3.170 . 6.226 6.191 5.906 6.299 0.073 14 0 "[ . 1 . 2]" 3
674 1 22 GLN HA 1 25 ALA MB 2.378 . 4.985 2.663 2.398 3.112 . 0 0 "[ . 1 . 2]" 3
675 1 69 ILE HA 1 73 TRP HZ3 3.021 . 4.162 3.870 3.742 3.978 . 0 0 "[ . 1 . 2]" 3
676 1 69 ILE HA 1 73 TRP HE3 3.035 . 4.186 3.684 3.429 3.926 . 0 0 "[ . 1 . 2]" 3
677 1 68 CYS HA 1 69 ILE HA 3.964 . 5.928 4.442 4.384 4.493 . 0 0 "[ . 1 . 2]" 3
678 1 69 ILE HA 1 73 TRP HB2 3.842 . 5.687 4.732 4.372 5.006 . 0 0 "[ . 1 . 2]" 3
679 1 68 CYS QB 1 69 ILE HA 2.988 . 6.500 3.986 3.884 4.059 . 0 0 "[ . 1 . 2]" 3
680 1 69 ILE HA 1 69 ILE HB 2.119 . 2.680 2.480 2.467 2.509 . 0 0 "[ . 1 . 2]" 3
681 1 69 ILE HA 1 69 ILE HG12 2.895 . 3.943 3.954 3.915 3.972 0.029 16 0 "[ . 1 . 2]" 3
682 1 69 ILE HA 1 69 ILE HG13 2.743 . 3.684 3.550 3.543 3.567 . 0 0 "[ . 1 . 2]" 3
683 1 61 PHE HB3 1 69 ILE HA 3.757 . 5.522 5.342 5.041 5.598 0.076 5 0 "[ . 1 . 2]" 3
684 1 41 GLN HA 1 41 GLN QB 1.848 . 2.275 2.177 2.163 2.183 . 0 0 "[ . 1 . 2]" 3
685 1 65 SER HA 1 83 ASP HB2 2.216 . 3.680 3.403 2.810 4.114 0.434 20 0 "[ . 1 . 2]" 3
686 1 41 GLN HA 1 46 LEU MD2 3.423 . 4.887 4.604 4.148 4.870 . 0 0 "[ . 1 . 2]" 3
687 1 41 GLN HA 1 44 ARG QG 2.837 . 4.343 3.980 3.367 4.484 0.141 7 0 "[ . 1 . 2]" 3
688 1 41 GLN HA 1 44 ARG QB 2.698 . 4.608 4.002 2.787 4.556 . 0 0 "[ . 1 . 2]" 3
689 1 65 SER HA 1 65 SER HB2 1.968 . 2.452 2.438 2.232 2.591 0.139 17 0 "[ . 1 . 2]" 3
690 1 41 GLN HA 1 44 ARG QD 2.699 . 3.610 2.095 1.817 2.633 . 0 0 "[ . 1 . 2]" 3
691 1 65 SER HA 1 82 LYS HE3 3.423 . 4.887 4.441 3.824 4.936 0.049 10 0 "[ . 1 . 2]" 3
692 1 19 CYS HA 1 20 ILE HA 3.880 . 5.761 4.469 4.383 4.510 . 0 0 "[ . 1 . 2]" 3
693 1 20 ILE HA 1 21 PRO HG2 2.822 . 4.167 4.237 4.182 4.288 0.121 11 0 "[ . 1 . 2]" 3
694 1 20 ILE HA 1 20 ILE HG13 3.214 . 4.506 3.630 3.600 3.664 . 0 0 "[ . 1 . 2]" 3
695 1 20 ILE HA 1 20 ILE HG12 2.559 . 3.709 3.825 3.787 3.860 0.151 4 0 "[ . 1 . 2]" 3
696 1 20 ILE HA 1 21 PRO HD2 2.241 . 2.869 2.059 2.004 2.116 . 0 0 "[ . 1 . 2]" 3
697 1 20 ILE HA 1 21 PRO HD3 2.273 . 2.919 2.615 2.535 2.663 . 0 0 "[ . 1 . 2]" 3
698 1 20 ILE HA 1 24 TRP HB3 3.773 . 6.053 5.783 5.654 5.978 . 0 0 "[ . 1 . 2]" 3
699 1 20 ILE HA 1 32 CYS HA 3.712 . 6.500 6.494 5.969 6.707 0.207 12 0 "[ . 1 . 2]" 3
700 1 11 SER HA 1 12 PHE QB 3.091 . 4.285 3.918 3.840 3.957 . 0 0 "[ . 1 . 2]" 3
701 1 11 SER HA 1 22 GLN HB3 2.756 . 4.205 4.130 3.947 4.254 0.049 15 0 "[ . 1 . 2]" 3
702 1 11 SER HA 1 20 ILE HA 3.684 . 5.681 5.643 5.435 5.747 0.066 17 0 "[ . 1 . 2]" 3
703 1 11 SER HA 1 12 PHE HA 3.671 . 5.355 4.496 4.418 4.686 . 0 0 "[ . 1 . 2]" 3
704 1 11 SER HA 1 21 PRO HD3 3.124 . 5.644 5.103 4.928 5.191 . 0 0 "[ . 1 . 2]" 3
705 1 11 SER HA 1 22 GLN HG3 3.307 . 6.500 5.340 5.067 5.680 . 0 0 "[ . 1 . 2]" 3
706 1 11 SER HA 1 23 LEU MD1 3.574 . 5.171 4.622 4.254 4.804 . 0 0 "[ . 1 . 2]" 3
707 1 11 SER HA 1 21 PRO HB2 3.574 . 5.171 4.639 4.361 4.848 . 0 0 "[ . 1 . 2]" 3
708 1 11 SER HA 1 12 PHE QD 4.151 . 6.305 5.847 5.815 5.860 . 0 0 "[ . 1 . 2]" 3
709 1 49 PHE HA 1 49 PHE QD 2.177 . 6.500 2.935 2.108 3.717 . 0 0 "[ . 1 . 2]" 3
710 1 47 TYR HA 1 47 TYR QD 2.171 . 6.500 3.716 3.467 3.740 . 0 0 "[ . 1 . 2]" 3
711 1 20 ILE HA 1 24 TRP HE3 2.911 . 4.170 4.035 3.852 4.176 0.006 16 0 "[ . 1 . 2]" 3
712 1 81 CYS HA 1 84 LYS HA 3.574 . 5.171 5.109 4.900 5.252 0.081 2 0 "[ . 1 . 2]" 3
713 1 79 PRO HA 1 84 LYS HA 2.759 . 4.411 3.660 3.502 3.794 . 0 0 "[ . 1 . 2]" 3
714 1 84 LYS HA 1 85 SER HB2 3.900 . 5.801 5.524 4.876 5.955 0.154 19 0 "[ . 1 . 2]" 3
715 1 81 CYS HB2 1 84 LYS HA 2.730 . 4.661 4.224 2.865 4.603 . 0 0 "[ . 1 . 2]" 3
716 1 84 LYS HA 1 84 LYS QE 3.072 . 4.451 4.482 4.332 4.559 0.108 7 0 "[ . 1 . 2]" 3
717 1 84 LYS HA 1 84 LYS HB3 2.157 . 2.939 2.999 2.947 3.020 0.081 11 0 "[ . 1 . 2]" 3
718 1 84 LYS HA 1 84 LYS QD 2.460 . 3.916 4.012 3.950 4.047 0.131 7 0 "[ . 1 . 2]" 3
719 1 84 LYS HA 1 84 LYS QG 2.181 . 2.776 2.356 2.235 2.411 . 0 0 "[ . 1 . 2]" 3
720 1 64 LEU HA 1 66 GLY HA2 3.684 . 5.381 4.980 4.868 5.151 . 0 0 "[ . 1 . 2]" 3
721 1 64 LEU HA 1 64 LEU MD2 2.599 . 6.500 3.791 3.759 3.844 . 0 0 "[ . 1 . 2]" 3
722 1 49 PHE HA 1 49 PHE QB 1.779 . 2.175 2.276 2.174 2.408 0.233 17 0 "[ . 1 . 2]" 3
723 1 49 PHE HA 1 50 GLN QG 2.935 . 4.312 3.884 3.046 4.425 0.113 16 0 "[ . 1 . 2]" 3
724 1 47 TYR HA 1 47 TYR HB2 2.105 . 2.659 2.458 2.421 2.494 . 0 0 "[ . 1 . 2]" 3
725 1 57 SER HA 1 58 ALA MB 2.871 . 6.500 4.103 4.041 4.155 . 0 0 "[ . 1 . 2]" 3
726 1 57 SER HA 1 60 GLU HG3 3.340 . 5.035 4.996 4.777 5.176 0.141 17 0 "[ . 1 . 2]" 3
727 1 56 CYS HB2 1 57 SER HA 3.542 . 5.510 4.931 4.438 5.117 . 0 0 "[ . 1 . 2]" 3
728 1 57 SER HA 1 60 GLU HB3 3.314 . 6.187 6.257 5.982 6.515 0.328 19 0 "[ . 1 . 2]" 3
729 1 57 SER HA 1 59 PHE HB2 3.757 . 6.600 6.171 5.710 6.516 . 0 0 "[ . 1 . 2]" 3
730 1 56 CYS HA 1 57 SER HA 3.384 . 4.815 4.326 4.289 4.757 . 0 0 "[ . 1 . 2]" 3
731 1 44 ARG HA 1 46 LEU MD2 3.214 . 4.506 4.209 3.687 4.810 0.304 20 0 "[ . 1 . 2]" 3
732 1 44 ARG HA 1 44 ARG QG 2.136 . 3.006 2.445 2.301 2.591 . 0 0 "[ . 1 . 2]" 3
733 1 44 ARG HA 1 44 ARG QB 1.945 . 2.418 2.357 2.281 2.463 0.045 16 0 "[ . 1 . 2]" 3
734 1 44 ARG HA 1 45 GLY QA 3.225 . 4.525 4.127 3.883 4.318 . 0 0 "[ . 1 . 2]" 3
735 1 43 CYS HA 1 44 ARG HA 3.574 . 5.171 4.848 4.352 5.245 0.074 20 0 "[ . 1 . 2]" 3
736 1 15 ASN HA 1 15 ASN HB2 2.138 . 2.710 2.504 2.452 2.597 . 0 0 "[ . 1 . 2]" 3
737 1 6 THR MG 1 15 ASN HA 3.900 . 6.001 5.502 4.436 6.054 0.053 5 0 "[ . 1 . 2]" 3
738 1 23 LEU HA 1 23 LEU MD1 1.940 . 6.500 3.386 3.268 3.573 . 0 0 "[ . 1 . 2]" 3
739 1 22 GLN HA 1 23 LEU HA 3.900 . 5.801 4.753 4.496 4.845 . 0 0 "[ . 1 . 2]" 3
740 1 23 LEU HA 1 24 TRP HD1 3.307 . 4.674 4.697 4.273 4.836 0.162 20 0 "[ . 1 . 2]" 3
741 1 23 LEU HA 1 24 TRP HA 3.608 . 5.235 4.826 4.584 4.893 . 0 0 "[ . 1 . 2]" 3
742 1 22 GLN HG2 1 23 LEU HA 2.871 . 4.201 4.030 3.704 4.411 0.210 12 0 "[ . 1 . 2]" 3
743 1 23 LEU HA 1 23 LEU HG 2.382 . 3.091 2.506 2.436 2.592 . 0 0 "[ . 1 . 2]" 3
744 1 21 PRO HB3 1 23 LEU HA 3.095 . 6.500 6.306 6.240 6.470 . 0 0 "[ . 1 . 2]" 3
745 1 12 PHE HA 1 12 PHE QD 2.420 . 6.500 2.675 2.430 2.895 . 0 0 "[ . 1 . 2]" 3
746 1 59 PHE HA 1 59 PHE QD 2.122 . 6.500 2.977 2.247 3.232 . 0 0 "[ . 1 . 2]" 3
747 1 24 TRP HE3 1 31 ASP HA 2.772 . 5.133 5.130 4.707 5.272 0.139 13 0 "[ . 1 . 2]" 3
748 1 73 TRP HE3 1 80 ASP HA 3.049 . 6.500 5.217 4.876 5.734 . 0 0 "[ . 1 . 2]" 3
749 1 54 SER HA 1 62 HIS HE1 3.742 . 5.492 5.472 4.499 5.627 0.135 12 0 "[ . 1 . 2]" 3
750 1 12 PHE QE 1 14 CYS HA 2.592 . 3.432 3.234 2.763 3.631 0.199 7 0 "[ . 1 . 2]" 3
751 1 61 PHE QE 1 86 ASP HA 2.451 . 3.602 3.112 2.785 3.291 . 0 0 "[ . 1 . 2]" 3
752 1 61 PHE HZ 1 86 ASP HA 2.467 . 3.728 2.920 2.809 3.051 . 0 0 "[ . 1 . 2]" 3
753 1 61 PHE HZ 1 63 CYS HA 2.232 . 3.555 3.536 2.970 3.664 0.109 4 0 "[ . 1 . 2]" 3
754 1 31 ASP HA 1 31 ASP HB3 2.032 . 2.548 2.557 2.477 2.640 0.092 12 0 "[ . 1 . 2]" 3
755 1 80 ASP HA 1 80 ASP HB2 2.102 . 2.854 3.013 3.000 3.021 0.167 7 0 "[ . 1 . 2]" 3
756 1 75 CYS HA 1 75 CYS HB3 2.156 . 3.037 2.734 2.365 3.029 . 0 0 "[ . 1 . 2]" 3
757 1 74 ARG HG2 1 75 CYS HA 3.264 . 4.596 4.506 4.337 4.617 0.021 14 0 "[ . 1 . 2]" 3
758 1 12 PHE HA 1 12 PHE QB 2.176 . 2.768 2.326 2.292 2.349 . 0 0 "[ . 1 . 2]" 3
759 1 12 PHE HA 1 22 GLN HA 2.687 . 4.689 4.229 4.075 4.712 0.023 12 0 "[ . 1 . 2]" 3
760 1 6 THR HB 1 12 PHE HA 3.376 . 4.801 2.948 1.992 3.714 . 0 0 "[ . 1 . 2]" 3
761 1 6 THR MG 1 12 PHE HA 3.231 . 4.536 3.755 3.348 4.178 . 0 0 "[ . 1 . 2]" 3
762 1 12 PHE HA 1 13 GLN HB2 2.921 . 6.500 4.367 4.171 4.864 . 0 0 "[ . 1 . 2]" 3
763 1 12 PHE HA 1 22 GLN HG3 3.270 . 5.057 5.111 4.945 5.195 0.138 8 0 "[ . 1 . 2]" 3
764 1 12 PHE HA 1 13 GLN HB3 3.347 . 4.948 4.840 4.619 5.041 0.093 12 0 "[ . 1 . 2]" 3
765 1 61 PHE HA 1 61 PHE HB2 2.374 . 3.078 2.390 2.378 2.432 . 0 0 "[ . 1 . 2]" 3
766 1 61 PHE HA 1 74 ARG HG3 3.004 . 6.500 5.263 5.043 5.619 . 0 0 "[ . 1 . 2]" 3
767 1 42 ARG HA 1 42 ARG HD3 1.962 . 2.443 2.242 1.955 2.470 0.027 13 0 "[ . 1 . 2]" 3
768 1 26 CYS HA 1 26 CYS HB2 2.060 . 2.891 2.716 2.594 2.953 0.062 7 0 "[ . 1 . 2]" 3
769 1 42 ARG HA 1 42 ARG HB2 2.114 . 2.823 3.004 2.980 3.017 0.194 10 0 "[ . 1 . 2]" 3
770 1 42 ARG HA 1 42 ARG HG2 2.253 . 2.888 2.796 2.605 2.995 0.107 7 0 "[ . 1 . 2]" 3
771 1 42 ARG HA 1 46 LEU HG 2.698 . 3.608 2.785 1.991 3.312 . 0 0 "[ . 1 . 2]" 3
772 1 43 CYS HA 1 43 CYS HB3 2.205 . 2.813 2.889 2.495 3.017 0.204 10 0 "[ . 1 . 2]" 3
773 1 43 CYS HA 1 46 LEU HB2 2.793 . 3.768 2.581 2.145 3.185 . 0 0 "[ . 1 . 2]" 3
774 1 42 ARG HA 1 43 CYS HA 2.900 . 6.500 4.453 4.302 4.718 . 0 0 "[ . 1 . 2]" 3
775 1 43 CYS HA 1 47 TYR QD 3.407 . 4.858 2.408 1.983 3.591 . 0 0 "[ . 1 . 2]" 3
776 1 32 CYS HA 1 32 CYS HB3 2.264 . 2.905 2.575 2.445 2.682 . 0 0 "[ . 1 . 2]" 3
777 1 67 GLU HA 1 67 GLU HG2 2.373 . 3.627 3.620 3.207 3.758 0.131 8 0 "[ . 1 . 2]" 3
778 1 67 GLU HA 1 67 GLU HB3 2.098 . 2.898 2.965 2.743 3.021 0.123 20 0 "[ . 1 . 2]" 3
779 1 28 ASN HA 1 29 ASP HA 3.512 . 5.054 4.510 4.447 4.539 . 0 0 "[ . 1 . 2]" 3
780 1 27 ASP HA 1 28 ASN HA 3.407 . 4.858 4.768 4.710 4.820 . 0 0 "[ . 1 . 2]" 3
781 1 28 ASN HA 1 38 GLU HG3 3.288 . 4.940 4.789 4.470 5.091 0.151 16 0 "[ . 1 . 2]" 3
782 1 28 ASN HA 1 38 GLU HB2 3.276 . 6.500 6.224 5.761 6.561 0.061 20 0 "[ . 1 . 2]" 3
783 1 74 ARG HA 1 86 ASP HB2 2.285 2.002 3.938 1.984 1.910 2.211 0.092 11 0 "[ . 1 . 2]" 3
784 1 14 CYS HA 1 14 CYS HB3 2.414 . 3.143 2.410 2.298 2.671 . 0 0 "[ . 1 . 2]" 3
785 1 14 CYS HA 1 14 CYS HB2 2.339 . 3.023 3.015 2.974 3.027 0.004 9 0 "[ . 1 . 2]" 3
786 1 14 CYS HA 1 32 CYS HB3 2.885 . 6.500 4.503 4.172 5.272 . 0 0 "[ . 1 . 2]" 3
787 1 45 GLY QA 1 46 LEU HA 2.740 . 6.500 4.014 3.968 4.092 . 0 0 "[ . 1 . 2]" 3
788 1 43 CYS HA 1 46 LEU HA 3.347 . 6.500 5.434 5.038 5.840 . 0 0 "[ . 1 . 2]" 3
789 1 14 CYS HA 1 15 ASN HB2 3.340 . 4.735 4.462 4.343 4.552 . 0 0 "[ . 1 . 2]" 3
790 1 50 GLN HA 1 50 GLN HB3 2.118 . 2.679 2.440 2.343 2.601 . 0 0 "[ . 1 . 2]" 3
791 1 46 LEU HA 1 46 LEU HB3 1.978 . 2.467 2.518 2.462 2.610 0.143 20 0 "[ . 1 . 2]" 3
792 1 88 GLU HA 1 88 GLU HG3 2.151 . 3.529 3.621 3.598 3.637 0.108 14 0 "[ . 1 . 2]" 3
793 1 88 GLU HA 1 88 GLU HB3 2.055 . 2.583 2.621 2.581 2.682 0.099 19 0 "[ . 1 . 2]" 3
794 1 63 CYS HA 1 63 CYS HB3 2.363 . 3.061 2.702 2.503 3.024 . 0 0 "[ . 1 . 2]" 3
795 1 63 CYS HA 1 85 SER HB2 2.770 . 4.129 3.658 2.946 4.402 0.273 19 0 "[ . 1 . 2]" 3
796 1 5 LEU HA 1 5 LEU QB 1.867 . 2.503 2.492 2.280 2.530 0.027 1 0 "[ . 1 . 2]" 3
797 1 5 LEU HA 1 5 LEU MD2 1.951 . 2.427 2.009 1.932 2.356 . 0 0 "[ . 1 . 2]" 3
798 1 62 HIS HD2 1 67 GLU HA 3.671 . 5.355 4.238 3.582 4.879 . 0 0 "[ . 1 . 2]" 3
799 1 72 SER HA 1 73 TRP HA 4.063 . 6.127 4.712 4.672 4.751 . 0 0 "[ . 1 . 2]" 3
800 1 73 TRP HA 1 73 TRP HB3 2.281 . 2.931 2.438 2.425 2.454 . 0 0 "[ . 1 . 2]" 3
801 1 73 TRP HA 1 73 TRP HB2 2.417 . 3.147 3.025 3.023 3.026 . 0 0 "[ . 1 . 2]" 3
802 1 73 TRP HA 1 80 ASP HB3 3.964 . 6.228 5.925 5.586 6.170 . 0 0 "[ . 1 . 2]" 3
803 1 73 TRP HA 1 76 ASP HB2 2.730 . 4.211 3.840 3.615 4.064 . 0 0 "[ . 1 . 2]" 3
804 1 69 ILE HG13 1 73 TRP HA 4.217 . 6.500 6.565 6.347 6.624 0.124 15 0 "[ . 1 . 2]" 3
805 1 73 TRP HA 1 73 TRP HE3 3.384 . 6.500 5.084 5.002 5.123 . 0 0 "[ . 1 . 2]" 3
806 1 73 TRP HA 1 73 TRP HD1 2.213 . 2.825 2.573 2.539 2.652 . 0 0 "[ . 1 . 2]" 3
807 1 13 GLN HA 1 19 CYS HA 2.232 . 2.855 2.037 1.816 2.172 . 0 0 "[ . 1 . 2]" 3
808 1 19 CYS HA 1 19 CYS HB3 2.367 . 3.067 3.015 3.002 3.025 . 0 0 "[ . 1 . 2]" 3
809 1 62 HIS HD2 1 68 CYS HA 2.587 . 6.500 3.054 2.250 3.719 . 0 0 "[ . 1 . 2]" 3
810 1 62 HIS HA 1 68 CYS HA 2.202 . 2.808 2.493 2.334 2.742 . 0 0 "[ . 1 . 2]" 3
811 1 56 CYS HB3 1 68 CYS HA 2.817 . 5.309 4.091 3.559 4.371 . 0 0 "[ . 1 . 2]" 3
812 1 13 GLN HG2 1 19 CYS HA 2.841 . 3.850 3.699 3.033 3.957 0.107 18 0 "[ . 1 . 2]" 3
813 1 68 CYS HA 1 68 CYS QB 2.054 . 2.582 2.409 2.376 2.436 . 0 0 "[ . 1 . 2]" 3
814 1 89 ASN HA 1 91 ALA MB 3.942 . 6.084 5.212 4.224 6.176 0.092 11 0 "[ . 1 . 2]" 3
815 1 88 GLU HB3 1 89 ASN HA 3.423 . 4.887 3.940 3.866 4.012 . 0 0 "[ . 1 . 2]" 3
816 1 88 GLU HG3 1 89 ASN HA 3.574 . 6.500 6.297 6.221 6.414 . 0 0 "[ . 1 . 2]" 3
817 1 60 GLU HA 1 60 GLU HG2 2.204 . 2.811 2.689 2.472 2.783 . 0 0 "[ . 1 . 2]" 3
818 1 60 GLU HA 1 60 GLU HB3 2.455 . 3.208 2.455 2.419 2.539 . 0 0 "[ . 1 . 2]" 3
819 1 7 CYS HA 1 13 GLN HG3 2.958 . 4.852 4.699 4.016 4.937 0.085 9 0 "[ . 1 . 2]" 3
820 1 60 GLU HA 1 70 HIS HA 2.288 . 3.242 2.390 2.247 2.521 . 0 0 "[ . 1 . 2]" 3
821 1 60 GLU HA 1 60 GLU HB2 2.391 . 3.106 3.022 3.015 3.028 . 0 0 "[ . 1 . 2]" 3
822 1 87 GLU HA 1 87 GLU HB2 2.255 . 6.500 3.010 3.005 3.019 . 0 0 "[ . 1 . 2]" 3
823 1 87 GLU HA 1 87 GLU HB3 2.184 . 2.780 2.365 2.354 2.399 . 0 0 "[ . 1 . 2]" 3
824 1 87 GLU HA 1 90 CYS HB3 2.906 . 3.961 3.611 2.993 4.230 0.269 19 0 "[ . 1 . 2]" 3
825 1 7 CYS HA 1 7 CYS HB3 2.097 . 2.797 2.781 2.629 2.887 0.090 13 0 "[ . 1 . 2]" 3
826 1 60 GLU HA 1 71 SER HB2 2.426 . 3.762 3.227 3.093 3.280 . 0 0 "[ . 1 . 2]" 3
827 1 6 THR HB 1 13 GLN HA 3.727 . 5.463 4.209 3.727 4.683 . 0 0 "[ . 1 . 2]" 3
828 1 51 GLY QA 1 52 ASP HA 2.765 . 6.500 4.082 3.936 4.523 . 0 0 "[ . 1 . 2]" 3
829 1 60 GLU HA 1 70 HIS HD2 4.037 . 6.074 3.204 2.724 4.302 . 0 0 "[ . 1 . 2]" 3
830 1 12 PHE QE 1 13 GLN HA 3.684 . 6.231 5.481 5.202 6.332 0.101 7 0 "[ . 1 . 2]" 3
831 1 13 GLN HA 1 13 GLN HG3 2.351 . 3.042 2.719 2.451 3.084 0.042 13 0 "[ . 1 . 2]" 3
832 1 13 GLN HA 1 13 GLN HG2 2.274 . 2.921 2.667 2.362 2.813 . 0 0 "[ . 1 . 2]" 3
833 1 13 GLN HA 1 13 GLN HB3 2.350 . 3.040 3.010 2.979 3.022 . 0 0 "[ . 1 . 2]" 3
834 1 13 GLN HA 1 13 GLN HB2 2.327 . 3.004 2.564 2.460 2.651 . 0 0 "[ . 1 . 2]" 3
835 1 26 CYS HA 1 38 GLU HA 2.497 . 3.277 2.117 1.897 2.792 . 0 0 "[ . 1 . 2]" 3
836 1 24 TRP HA 1 24 TRP HB3 2.347 . 3.035 2.492 2.462 2.564 . 0 0 "[ . 1 . 2]" 3
837 1 81 CYS HA 1 82 LYS QD 2.880 . 6.367 6.337 6.210 6.583 0.216 20 0 "[ . 1 . 2]" 3
838 1 24 TRP HA 1 27 ASP HB2 2.952 . 4.541 3.760 3.307 3.955 . 0 0 "[ . 1 . 2]" 3
839 1 69 ILE MG 1 81 CYS HA 2.850 . 4.065 4.036 3.823 4.227 0.162 8 0 "[ . 1 . 2]" 3
840 1 24 TRP HA 1 24 TRP HD1 2.171 . 2.760 2.487 2.346 2.553 . 0 0 "[ . 1 . 2]" 3
841 1 24 TRP HA 1 24 TRP HE3 3.189 . 6.500 5.048 5.013 5.103 . 0 0 "[ . 1 . 2]" 3
842 1 81 CYS HA 1 82 LYS HA 3.184 . 4.451 4.313 4.291 4.336 . 0 0 "[ . 1 . 2]" 3
843 1 25 ALA HA 1 37 ASP HA 2.581 . 3.413 2.985 2.314 3.457 0.044 8 0 "[ . 1 . 2]" 3
844 1 37 ASP HA 1 37 ASP HB3 2.358 . 3.053 2.391 2.334 2.826 . 0 0 "[ . 1 . 2]" 3
845 1 37 ASP HA 1 37 ASP HB2 2.410 . 3.136 2.533 2.240 2.590 . 0 0 "[ . 1 . 2]" 3
846 1 36 SER HA 1 37 ASP HA 3.542 . 5.110 4.812 4.732 4.892 . 0 0 "[ . 1 . 2]" 3
847 1 30 PRO HA 1 37 ASP HA 3.307 . 6.500 6.076 5.793 6.274 . 0 0 "[ . 1 . 2]" 3
848 1 20 ILE HG12 1 37 ASP HA 3.742 . 5.892 5.233 4.920 5.668 . 0 0 "[ . 1 . 2]" 3
849 1 12 PHE QE 1 37 ASP HA 2.213 . 2.825 2.056 1.929 2.240 . 0 0 "[ . 1 . 2]" 3
850 1 58 ALA HA 1 59 PHE QD 3.773 . 5.553 5.011 4.518 5.284 . 0 0 "[ . 1 . 2]" 3
851 1 57 SER HA 1 58 ALA HA 3.288 . 4.640 4.299 4.289 4.337 . 0 0 "[ . 1 . 2]" 3
852 1 58 ALA HA 1 59 PHE HA 3.512 . 5.154 4.610 4.468 4.857 . 0 0 "[ . 1 . 2]" 3
853 1 39 TRP HA 1 39 TRP HB3 2.710 . 3.628 2.670 2.632 2.747 . 0 0 "[ . 1 . 2]" 3
854 1 36 SER HA 1 39 TRP HA 3.920 . 5.841 4.466 4.141 4.627 . 0 0 "[ . 1 . 2]" 3
855 1 39 TRP HA 1 39 TRP HD1 2.268 . 2.911 2.011 1.951 2.041 . 0 0 "[ . 1 . 2]" 3
856 1 39 TRP HA 1 39 TRP HE3 4.183 . 6.370 5.117 5.099 5.153 . 0 0 "[ . 1 . 2]" 3
857 1 38 GLU HA 1 38 GLU HB2 2.410 . 3.136 3.000 2.975 3.015 . 0 0 "[ . 1 . 2]" 3
858 1 38 GLU HA 1 38 GLU HG2 2.723 . 3.650 3.300 3.189 3.382 . 0 0 "[ . 1 . 2]" 3
859 1 38 GLU HA 1 38 GLU HB3 2.332 . 3.012 2.346 2.296 2.396 . 0 0 "[ . 1 . 2]" 3
860 1 37 ASP HA 1 38 GLU HA 3.532 . 5.091 4.642 4.598 4.687 . 0 0 "[ . 1 . 2]" 3
861 1 38 GLU HA 1 39 TRP HD1 3.684 . 5.681 5.652 5.113 5.911 0.230 16 0 "[ . 1 . 2]" 3
862 1 62 HIS HA 1 62 HIS HB2 2.349 . 3.039 2.517 2.407 2.648 . 0 0 "[ . 1 . 2]" 3
863 1 62 HIS HA 1 62 HIS HD2 2.105 . 2.659 2.400 2.198 2.574 . 0 0 "[ . 1 . 2]" 3
864 1 73 TRP HA 1 76 ASP HA 3.011 . 6.500 5.236 4.942 5.598 . 0 0 "[ . 1 . 2]" 3
865 1 76 ASP HA 1 77 GLY HA3 3.179 . 4.642 4.448 4.415 4.638 . 0 0 "[ . 1 . 2]" 3
866 1 76 ASP HA 1 76 ASP HB3 1.996 . 2.494 2.530 2.326 2.578 0.084 12 0 "[ . 1 . 2]" 3
867 1 76 ASP HA 1 76 ASP HB2 2.027 . 2.541 2.380 2.338 2.597 0.056 20 0 "[ . 1 . 2]" 3
868 1 62 HIS HA 1 62 HIS HB3 2.347 . 3.036 3.020 3.000 3.028 . 0 0 "[ . 1 . 2]" 3
869 1 20 ILE HG12 1 25 ALA HA 3.789 . 5.584 4.853 4.496 5.467 . 0 0 "[ . 1 . 2]" 3
870 1 25 ALA HA 1 37 ASP HB2 2.291 . 2.947 2.251 1.915 2.537 . 0 0 "[ . 1 . 2]" 3
871 1 25 ALA HA 1 37 ASP HB3 2.409 . 3.734 2.996 2.599 3.633 . 0 0 "[ . 1 . 2]" 3
872 1 25 ALA HA 1 26 CYS HA 3.987 . 5.974 4.404 4.347 4.465 . 0 0 "[ . 1 . 2]" 3
873 1 12 PHE QD 1 25 ALA HA 2.976 . 4.083 3.105 2.617 3.683 . 0 0 "[ . 1 . 2]" 3
874 1 24 TRP HA 1 25 ALA HA 3.920 . 5.841 4.870 4.830 4.911 . 0 0 "[ . 1 . 2]" 3
875 1 20 ILE HG13 1 25 ALA HA 3.942 . 5.884 4.162 3.800 4.719 . 0 0 "[ . 1 . 2]" 3
876 1 10 ALA HA 1 23 LEU MD1 3.103 . 5.007 4.826 4.377 5.097 0.090 3 0 "[ . 1 . 2]" 3
877 1 90 CYS HB3 1 91 ALA HA 3.129 . 4.353 4.235 3.893 4.482 0.129 5 0 "[ . 1 . 2]" 3
878 1 93 ALA HA 1 93 ALA MB 1.952 . 2.428 2.099 2.095 2.103 . 0 0 "[ . 1 . 2]" 3
879 1 92 VAL MG2 1 93 ALA HA 3.314 . 4.687 3.723 3.044 4.719 0.032 6 0 "[ . 1 . 2]" 3
880 1 10 ALA HA 1 11 SER QB 3.824 . 5.652 5.170 4.692 5.623 . 0 0 "[ . 1 . 2]" 3
881 1 10 ALA HA 1 22 GLN HB3 2.781 . 3.748 3.313 2.908 3.656 . 0 0 "[ . 1 . 2]" 3
882 1 92 VAL HB 1 93 ALA HA 4.183 . 6.370 5.237 4.082 6.044 . 0 0 "[ . 1 . 2]" 3
883 1 34 ASP HA 1 39 TRP HZ2 3.204 . 6.500 5.108 4.637 5.474 . 0 0 "[ . 1 . 2]" 3
884 1 34 ASP HA 1 39 TRP HH2 3.585 . 6.500 6.269 5.754 6.517 0.017 3 0 "[ . 1 . 2]" 3
885 1 83 ASP HA 1 84 LYS QG 2.801 . 6.500 5.986 5.747 6.052 . 0 0 "[ . 1 . 2]" 3
886 1 27 ASP HA 1 27 ASP HB3 2.006 . 2.509 2.596 2.532 2.808 0.299 7 0 "[ . 1 . 2]" 3
887 1 83 ASP HA 1 83 ASP HB2 2.008 . 2.512 2.604 2.457 2.710 0.198 19 0 "[ . 1 . 2]" 3
888 1 65 SER HB2 1 83 ASP HA 2.661 . 4.346 4.015 3.869 4.395 0.049 19 0 "[ . 1 . 2]" 3
889 1 16 SER HB2 1 34 ASP HA 3.301 . 4.963 4.830 4.233 5.040 0.077 11 0 "[ . 1 . 2]" 3
890 1 27 ASP HA 1 27 ASP HB2 2.067 . 2.601 2.331 2.230 2.378 . 0 0 "[ . 1 . 2]" 3
891 1 56 CYS HA 1 60 GLU HB3 2.713 . 5.133 5.004 4.412 5.223 0.090 8 0 "[ . 1 . 2]" 3
892 1 29 ASP HA 1 29 ASP HB3 2.442 . 3.188 2.475 2.372 2.779 . 0 0 "[ . 1 . 2]" 3
893 1 29 ASP HA 1 29 ASP HB2 2.186 . 2.833 2.996 2.912 3.016 0.183 17 0 "[ . 1 . 2]" 3
894 1 29 ASP HA 1 38 GLU HG3 3.964 . 5.928 3.169 2.784 3.596 . 0 0 "[ . 1 . 2]" 3
895 1 29 ASP HA 1 30 PRO HD3 2.235 . 2.860 1.871 1.847 1.926 . 0 0 "[ . 1 . 2]" 3
896 1 38 GLU HB2 1 40 PRO HD3 3.880 . 6.500 5.447 5.179 5.902 . 0 0 "[ . 1 . 2]" 3
897 1 40 PRO HB3 1 40 PRO HD3 2.848 . 3.862 4.031 4.026 4.035 0.173 17 0 "[ . 1 . 2]" 3
898 1 40 PRO HD3 1 40 PRO HG2 2.232 . 2.855 2.704 2.688 2.713 . 0 0 "[ . 1 . 2]" 3
899 1 39 TRP HB3 1 40 PRO HD3 2.731 . 3.664 3.739 3.653 3.853 0.189 11 0 "[ . 1 . 2]" 3
900 1 39 TRP HB2 1 40 PRO HD3 2.941 . 6.500 4.671 4.574 4.712 . 0 0 "[ . 1 . 2]" 3
901 1 39 TRP HA 1 40 PRO HD3 2.197 . 2.800 1.965 1.897 2.004 . 0 0 "[ . 1 . 2]" 3
902 1 39 TRP HE3 1 40 PRO HD3 3.842 . 6.500 6.339 6.126 6.463 . 0 0 "[ . 1 . 2]" 3
903 1 39 TRP HD1 1 40 PRO HD3 2.557 . 6.500 3.298 3.017 3.432 . 0 0 "[ . 1 . 2]" 3
904 1 39 TRP HD1 1 40 PRO HD2 2.685 . 3.836 3.828 3.567 3.912 0.076 1 0 "[ . 1 . 2]" 3
905 1 39 TRP HE3 1 40 PRO HD2 4.183 . 6.370 5.260 5.030 5.586 . 0 0 "[ . 1 . 2]" 3
906 1 39 TRP HB3 1 40 PRO HD2 2.768 . 3.726 2.874 2.729 3.162 . 0 0 "[ . 1 . 2]" 3
907 1 39 TRP HB2 1 40 PRO HD2 2.927 . 6.500 4.344 4.235 4.565 . 0 0 "[ . 1 . 2]" 3
908 1 30 PRO HD3 1 38 GLU HG2 3.742 . 5.492 4.407 3.910 4.941 . 0 0 "[ . 1 . 2]" 3
909 1 40 PRO HB2 1 40 PRO HD2 2.520 . 6.500 2.995 2.981 3.010 . 0 0 "[ . 1 . 2]" 3
910 1 2 SER HA 1 3 PRO HD3 1.821 . 6.500 2.537 2.514 2.549 . 0 0 "[ . 1 . 2]" 3
911 1 2 SER HA 1 3 PRO HD2 1.824 . 2.240 2.370 2.344 2.399 0.159 19 0 "[ . 1 . 2]" 3
912 1 3 PRO HA 1 3 PRO HD3 2.822 . 3.817 3.411 3.387 3.447 . 0 0 "[ . 1 . 2]" 3
913 1 3 PRO HD3 1 3 PRO QG 1.958 . 2.437 2.248 2.245 2.250 . 0 0 "[ . 1 . 2]" 3
914 1 3 PRO HD2 1 3 PRO QG 1.938 . 2.408 2.188 2.187 2.189 . 0 0 "[ . 1 . 2]" 3
915 1 39 TRP HA 1 40 PRO HD2 2.103 . 2.656 2.636 2.588 2.750 0.094 12 0 "[ . 1 . 2]" 3
916 1 29 ASP HA 1 30 PRO HD2 2.054 . 2.981 2.879 2.781 3.107 0.126 18 0 "[ . 1 . 2]" 3
917 1 29 ASP HB3 1 30 PRO HD3 2.898 . 3.948 3.287 3.129 3.480 . 0 0 "[ . 1 . 2]" 3
918 1 30 PRO HD3 1 30 PRO HG2 2.280 . 2.930 2.676 2.671 2.688 . 0 0 "[ . 1 . 2]" 3
919 1 30 PRO HD3 1 30 PRO HG3 2.290 . 2.946 2.315 2.310 2.318 . 0 0 "[ . 1 . 2]" 3
920 1 29 ASP HB3 1 30 PRO HD2 2.893 . 3.939 2.746 2.544 2.938 . 0 0 "[ . 1 . 2]" 3
921 1 30 PRO HA 1 30 PRO HD3 3.320 . 4.698 3.839 3.740 3.939 . 0 0 "[ . 1 . 2]" 3
922 1 30 PRO HD3 1 38 GLU HG3 3.423 . 4.887 3.103 2.619 3.920 . 0 0 "[ . 1 . 2]" 3
923 1 55 PRO HD3 1 62 HIS HE1 3.448 . 4.934 3.667 3.371 4.128 . 0 0 "[ . 1 . 2]" 3
924 1 55 PRO HD2 1 62 HIS HE1 3.585 . 5.192 4.130 3.613 4.539 . 0 0 "[ . 1 . 2]" 3
925 1 79 PRO QD 1 84 LYS QG 3.327 . 6.500 4.339 4.188 4.514 . 0 0 "[ . 1 . 2]" 3
926 1 79 PRO QD 1 84 LYS QD 3.146 . 4.383 4.306 4.120 4.465 0.082 12 0 "[ . 1 . 2]" 3
927 1 30 PRO HD2 1 30 PRO HG2 2.453 . 3.205 2.322 2.315 2.326 . 0 0 "[ . 1 . 2]" 3
928 1 78 GLY HA3 1 79 PRO QD 1.972 . 2.808 2.670 2.475 2.826 0.018 13 0 "[ . 1 . 2]" 3
929 1 54 SER HA 1 55 PRO HD2 1.906 . 3.010 2.709 2.502 3.014 0.004 17 0 "[ . 1 . 2]" 3
930 1 54 SER HA 1 55 PRO HD3 1.923 . 6.500 2.210 2.008 2.492 . 0 0 "[ . 1 . 2]" 3
931 1 54 SER HB3 1 55 PRO HD2 2.410 . 3.136 2.104 1.985 2.340 . 0 0 "[ . 1 . 2]" 3
932 1 54 SER HB3 1 55 PRO HD3 2.500 . 3.281 3.143 2.687 3.376 0.095 8 0 "[ . 1 . 2]" 3
933 1 55 PRO HD3 1 55 PRO HG3 2.116 . 2.676 2.284 2.267 2.311 . 0 0 "[ . 1 . 2]" 3
934 1 55 PRO HD2 1 55 PRO HG3 2.117 . 2.677 2.759 2.696 2.804 0.127 13 0 "[ . 1 . 2]" 3
935 1 55 PRO HD2 1 55 PRO HG2 2.286 . 2.939 2.281 2.263 2.307 . 0 0 "[ . 1 . 2]" 3
936 1 9 PRO QD 1 10 ALA MB 3.431 . 6.500 4.569 3.996 5.102 . 0 0 "[ . 1 . 2]" 3
937 1 8 GLY HA2 1 9 PRO QD 1.820 . 2.434 2.446 2.259 2.531 0.097 20 0 "[ . 1 . 2]" 3
938 1 21 PRO HD2 1 24 TRP HE3 3.099 . 4.300 3.148 2.990 3.270 . 0 0 "[ . 1 . 2]" 3
939 1 21 PRO HD3 1 24 TRP HD1 3.964 . 6.500 6.272 6.075 6.431 . 0 0 "[ . 1 . 2]" 3
940 1 21 PRO HD2 1 24 TRP HD1 4.183 . 6.370 5.358 5.153 5.597 . 0 0 "[ . 1 . 2]" 3
941 1 21 PRO HD3 1 21 PRO HG2 2.572 . 3.399 2.993 2.984 2.998 . 0 0 "[ . 1 . 2]" 3
942 1 20 ILE MG 1 21 PRO HD2 2.461 . 3.218 3.189 3.080 3.322 0.104 7 0 "[ . 1 . 2]" 3
943 1 21 PRO HD2 1 21 PRO HG2 2.667 . 3.556 2.318 2.304 2.325 . 0 0 "[ . 1 . 2]" 3
944 1 21 PRO HD3 1 21 PRO HG3 2.470 . 3.232 2.321 2.310 2.328 . 0 0 "[ . 1 . 2]" 3
945 1 21 PRO HD3 1 24 TRP HB3 3.964 . 6.278 6.325 6.207 6.427 0.149 12 0 "[ . 1 . 2]" 3
946 1 11 SER QB 1 21 PRO HD3 4.063 . 6.127 4.994 4.496 5.365 . 0 0 "[ . 1 . 2]" 3
947 1 21 PRO HD2 1 21 PRO HG3 2.592 . 3.432 2.678 2.667 2.699 . 0 0 "[ . 1 . 2]" 3
948 1 20 ILE HG13 1 21 PRO HD2 3.773 . 5.553 4.168 4.014 4.323 . 0 0 "[ . 1 . 2]" 3
949 1 21 PRO HA 1 21 PRO HD2 2.967 . 4.067 4.016 3.978 4.060 . 0 0 "[ . 1 . 2]" 3
950 1 62 HIS HD2 1 66 GLY HA2 3.431 . 4.902 3.999 3.721 4.521 . 0 0 "[ . 1 . 2]" 3
951 1 62 HIS HD2 1 66 GLY HA3 3.407 . 6.500 5.438 5.143 5.877 . 0 0 "[ . 1 . 2]" 3
952 1 65 SER HA 1 66 GLY HA3 3.620 . 5.258 4.440 4.403 4.474 . 0 0 "[ . 1 . 2]" 3
953 1 66 GLY HA3 1 67 GLU HB3 3.824 . 5.652 5.229 4.718 5.677 0.025 20 0 "[ . 1 . 2]" 3
954 1 35 GLY HA2 1 36 SER HA 3.632 . 5.281 4.923 4.685 5.060 . 0 0 "[ . 1 . 2]" 3
955 1 30 PRO HB3 1 35 GLY HA2 2.521 . 3.316 2.030 1.904 2.213 . 0 0 "[ . 1 . 2]" 3
956 1 32 CYS HB2 1 35 GLY HA2 3.209 . 4.496 2.937 2.724 3.224 . 0 0 "[ . 1 . 2]" 3
957 1 30 PRO HB3 1 35 GLY HA3 2.493 . 3.270 2.450 2.072 3.086 . 0 0 "[ . 1 . 2]" 3
958 1 35 GLY HA3 1 38 GLU HG2 3.542 . 5.610 4.867 4.507 5.494 . 0 0 "[ . 1 . 2]" 3
959 1 44 ARG QG 1 45 GLY QA 3.220 . 6.500 5.256 5.044 5.469 . 0 0 "[ . 1 . 2]" 3
960 1 44 ARG QB 1 45 GLY QA 2.911 . 4.270 3.673 3.403 4.073 . 0 0 "[ . 1 . 2]" 3
961 1 44 ARG QD 1 45 GLY QA 3.552 . 6.500 5.537 4.901 6.188 . 0 0 "[ . 1 . 2]" 3
962 1 45 GLY QA 1 47 TYR QD 3.585 . 5.192 4.985 4.479 5.298 0.106 16 0 "[ . 1 . 2]" 3
963 1 50 GLN HA 1 51 GLY QA 3.301 . 4.663 4.215 3.930 4.458 . 0 0 "[ . 1 . 2]" 3
964 1 51 GLY QA 1 52 ASP HB2 3.091 . 6.500 4.384 3.899 5.300 . 0 0 "[ . 1 . 2]" 3
965 1 50 GLN QG 1 51 GLY QA 3.439 . 5.168 5.170 5.078 5.327 0.159 8 0 "[ . 1 . 2]" 3
966 1 77 GLY HA3 1 78 GLY HA3 3.585 . 5.192 4.639 4.581 4.724 . 0 0 "[ . 1 . 2]" 3
967 1 8 GLY HA2 1 9 PRO QG 2.556 . 6.500 4.340 4.154 4.442 . 0 0 "[ . 1 . 2]" 3
968 1 8 GLY HA3 1 9 PRO HB3 3.270 . 6.500 5.457 5.328 5.625 . 0 0 "[ . 1 . 2]" 3
969 1 8 GLY HA2 1 9 PRO HB3 3.347 . 6.500 5.154 5.027 5.301 . 0 0 "[ . 1 . 2]" 3
970 1 8 GLY HA3 1 9 PRO QD 2.008 . 2.512 2.185 2.113 2.402 . 0 0 "[ . 1 . 2]" 3
971 1 8 GLY HA3 1 9 PRO HA 3.585 . 5.192 4.723 4.670 4.795 . 0 0 "[ . 1 . 2]" 3
972 1 7 CYS HB3 1 8 GLY HA2 3.942 . 5.884 4.651 4.354 5.581 . 0 0 "[ . 1 . 2]" 3
973 1 8 GLY HA3 1 10 ALA MB 3.806 . 5.817 5.457 4.568 6.033 0.216 13 0 "[ . 1 . 2]" 3
974 1 78 GLY HA3 1 79 PRO HG2 2.826 . 5.224 5.011 4.790 5.128 . 0 0 "[ . 1 . 2]" 3
975 1 78 GLY HA3 1 84 LYS QD 3.987 . 6.500 6.653 6.526 6.773 0.273 10 0 "[ . 1 . 2]" 3
976 1 77 GLY HA3 1 78 GLY HA2 3.880 . 5.761 4.524 4.382 4.921 . 0 0 "[ . 1 . 2]" 3
977 1 78 GLY HA2 1 79 PRO HG3 3.103 . 6.500 4.323 4.221 4.526 . 0 0 "[ . 1 . 2]" 3
978 1 78 GLY HA2 1 84 LYS QD 4.091 . 6.183 5.579 5.472 5.730 . 0 0 "[ . 1 . 2]" 3
979 1 78 GLY HA3 1 84 LYS QE 4.333 . 6.680 4.753 4.483 5.062 . 0 0 "[ . 1 . 2]" 3
980 1 78 GLY HA3 1 79 PRO HG3 2.964 . 6.500 5.215 5.028 5.406 . 0 0 "[ . 1 . 2]" 3
981 1 78 GLY HA3 1 87 GLU HG2 3.347 . 5.998 5.905 5.668 6.080 0.082 16 0 "[ . 1 . 2]" 3
982 1 78 GLY HA2 1 87 GLU HG2 3.474 . 5.483 5.443 5.068 5.540 0.057 12 0 "[ . 1 . 2]" 3
983 1 69 ILE HG12 1 80 ASP HB3 3.727 . 5.463 4.943 4.439 5.481 0.018 7 0 "[ . 1 . 2]" 3
984 1 69 ILE HG12 1 80 ASP HB2 3.585 . 5.192 4.661 4.140 5.078 . 0 0 "[ . 1 . 2]" 3
985 1 20 ILE HB 1 31 ASP HB3 3.684 . 5.381 4.584 4.096 4.880 . 0 0 "[ . 1 . 2]" 3
986 1 20 ILE HB 1 31 ASP HB2 3.376 . 4.801 4.510 4.179 4.664 . 0 0 "[ . 1 . 2]" 3
987 1 24 TRP HB2 1 31 ASP HB3 3.532 . 5.091 4.935 4.558 5.218 0.127 16 0 "[ . 1 . 2]" 3
988 1 73 TRP HB2 1 80 ASP HB2 3.439 . 4.918 4.189 3.883 4.702 . 0 0 "[ . 1 . 2]" 3
989 1 73 TRP HB2 1 80 ASP HB3 3.712 . 5.435 4.619 4.433 4.969 . 0 0 "[ . 1 . 2]" 3
990 1 73 TRP HE3 1 80 ASP HB3 2.743 . 3.684 2.768 2.412 3.328 . 0 0 "[ . 1 . 2]" 3
991 1 24 TRP HE3 1 31 ASP HB3 2.655 . 3.536 2.681 2.412 2.942 . 0 0 "[ . 1 . 2]" 3
992 1 73 TRP HE3 1 80 ASP HB2 2.837 . 4.143 3.603 3.057 4.227 0.084 20 0 "[ . 1 . 2]" 3
993 1 24 TRP HE3 1 31 ASP HB2 2.605 . 3.453 3.125 2.480 3.487 0.034 7 0 "[ . 1 . 2]" 3
994 1 11 SER QB 1 19 CYS HB3 2.651 . 6.500 5.198 4.763 5.676 . 0 0 "[ . 1 . 2]" 3
995 1 11 SER QB 1 19 CYS HB2 2.730 . 6.500 5.359 4.958 5.822 . 0 0 "[ . 1 . 2]" 3
996 1 18 THR HA 1 19 CYS HB2 3.920 . 5.841 4.333 4.092 4.518 . 0 0 "[ . 1 . 2]" 3
997 1 13 GLN HA 1 19 CYS HB3 2.813 . 4.752 4.878 4.602 5.085 0.333 17 0 "[ . 1 . 2]" 3
998 1 19 CYS HA 1 19 CYS HB2 2.616 . 3.472 2.523 2.441 2.602 . 0 0 "[ . 1 . 2]" 3
999 1 19 CYS HB3 1 20 ILE MG 4.120 . 6.242 4.523 4.423 4.726 . 0 0 "[ . 1 . 2]" 3
1000 1 18 THR HA 1 19 CYS HB3 3.842 . 5.687 4.769 4.550 4.916 . 0 0 "[ . 1 . 2]" 3
1001 1 44 ARG QD 1 46 LEU MD2 3.095 . 4.292 3.818 3.089 4.550 0.258 14 0 "[ . 1 . 2]" 3
1002 1 44 ARG QD 1 44 ARG QG . . 2.159 2.025 1.998 2.059 . 0 0 "[ . 1 . 2]" 3
1003 1 44 ARG QB 1 44 ARG QD 1.868 . 2.304 2.095 1.914 2.338 0.034 5 0 "[ . 1 . 2]" 3
1004 1 44 ARG HA 1 44 ARG QD 2.226 . 6.500 3.943 3.642 4.100 . 0 0 "[ . 1 . 2]" 3
1005 1 42 ARG HA 1 44 ARG QD 3.842 . 5.687 4.846 3.967 5.949 0.262 14 0 "[ . 1 . 2]" 3
1006 1 44 ARG QD 1 47 TYR QD 3.964 . 6.500 6.664 6.443 6.943 0.443 18 0 "[ . 1 . 2]" 3
1007 1 69 ILE HB 1 80 ASP HB2 2.935 . 4.612 4.239 3.943 4.715 0.103 19 0 "[ . 1 . 2]" 3
1008 1 69 ILE HB 1 73 TRP HB2 3.083 . 4.271 2.588 2.173 2.826 . 0 0 "[ . 1 . 2]" 3
1009 1 69 ILE HB 1 73 TRP HA 3.757 . 5.822 5.466 5.001 5.695 . 0 0 "[ . 1 . 2]" 3
1010 1 69 ILE HB 1 73 TRP HE3 2.639 . 3.510 1.933 1.897 1.956 . 0 0 "[ . 1 . 2]" 3
1011 1 69 ILE HB 1 73 TRP HZ3 2.690 . 3.645 3.667 3.474 3.829 0.184 20 0 "[ . 1 . 2]" 3
1012 1 69 ILE HB 1 80 ASP HB3 3.320 . 4.698 3.934 3.592 4.302 . 0 0 "[ . 1 . 2]" 3
1013 1 61 PHE QD 1 74 ARG HD3 2.645 . 4.919 4.796 4.650 5.014 0.095 19 0 "[ . 1 . 2]" 3
1014 1 61 PHE QE 1 74 ARG HD2 2.985 . 4.699 4.180 3.984 4.508 . 0 0 "[ . 1 . 2]" 3
1015 1 61 PHE QD 1 74 ARG HD2 2.638 . 4.058 3.586 3.328 3.885 . 0 0 "[ . 1 . 2]" 3
1016 1 28 ASN QB 1 29 ASP HB2 3.542 . 5.110 4.199 3.587 4.573 . 0 0 "[ . 1 . 2]" 3
1017 1 29 ASP HB2 1 30 PRO HD2 3.079 . 4.264 4.142 3.898 4.397 0.133 19 0 "[ . 1 . 2]" 3
1018 1 29 ASP HB2 1 30 PRO HD3 3.091 . 4.285 4.344 4.220 4.428 0.143 20 0 "[ . 1 . 2]" 3
1019 1 29 ASP HB2 1 38 GLU HG2 4.063 . 6.127 6.023 5.739 6.157 0.030 12 0 "[ . 1 . 2]" 3
1020 1 74 ARG HD2 1 74 ARG HG2 2.160 . 2.943 2.986 2.951 3.000 0.057 10 0 "[ . 1 . 2]" 3
1021 1 74 ARG HD2 1 74 ARG HG3 2.423 . 3.157 2.586 2.546 2.670 . 0 0 "[ . 1 . 2]" 3
1022 1 74 ARG HB3 1 74 ARG HD2 2.631 . 3.497 2.284 2.134 2.476 . 0 0 "[ . 1 . 2]" 3
1023 1 61 PHE HB2 1 74 ARG HD2 2.970 . 4.073 3.775 3.495 3.960 . 0 0 "[ . 1 . 2]" 3
1024 1 74 ARG HD2 1 86 ASP HA 2.284 . 5.236 5.273 5.101 5.423 0.187 5 0 "[ . 1 . 2]" 3
1025 1 61 PHE HA 1 74 ARG HD2 3.773 . 5.953 5.594 5.199 5.932 . 0 0 "[ . 1 . 2]" 3
1026 1 74 ARG HD3 1 74 ARG HG2 2.089 . 2.634 2.322 2.268 2.351 . 0 0 "[ . 1 . 2]" 3
1027 1 74 ARG HB3 1 74 ARG HD3 2.562 . 3.382 2.619 2.537 2.782 . 0 0 "[ . 1 . 2]" 3
1028 1 74 ARG HD3 1 86 ASP HB2 2.705 . 4.570 4.498 4.324 4.612 0.042 20 0 "[ . 1 . 2]" 3
1029 1 74 ARG HD3 1 86 ASP HA 2.138 . 4.510 4.525 4.427 4.640 0.130 7 0 "[ . 1 . 2]" 3
1030 1 12 PHE QE 1 32 CYS HB3 3.942 . 6.084 5.844 5.564 6.148 0.064 10 0 "[ . 1 . 2]" 3
1031 1 32 CYS HB2 1 35 GLY HA3 3.204 . 4.887 4.272 4.157 4.530 . 0 0 "[ . 1 . 2]" 3
1032 1 20 ILE MD 1 32 CYS HB2 3.391 . 4.828 4.075 3.754 4.312 . 0 0 "[ . 1 . 2]" 3
1033 1 60 GLU HB2 1 68 CYS QB 2.522 . 4.117 4.110 3.884 4.306 0.189 20 0 "[ . 1 . 2]" 3
1034 1 60 GLU HB3 1 68 CYS QB 2.653 . 3.533 3.435 3.129 3.802 0.269 19 0 "[ . 1 . 2]" 3
1035 1 68 CYS QB 1 69 ILE MG 3.987 . 5.974 4.275 4.193 4.327 . 0 0 "[ . 1 . 2]" 3
1036 1 56 CYS HA 1 68 CYS QB 2.421 . 3.954 3.740 3.190 4.068 0.114 4 0 "[ . 1 . 2]" 3
1037 1 62 HIS HD2 1 68 CYS QB 3.824 . 5.652 4.342 3.462 5.039 . 0 0 "[ . 1 . 2]" 3
1038 1 12 PHE QB 1 12 PHE QD 2.470 . 3.232 2.126 2.124 2.134 . 0 0 "[ . 1 . 2]" 3
1039 1 61 PHE HB2 1 61 PHE QD 2.449 . 3.199 2.537 2.459 2.632 . 0 0 "[ . 1 . 2]" 3
1040 1 32 CYS HA 1 32 CYS HB2 2.332 . 3.012 3.006 2.974 3.028 0.016 10 0 "[ . 1 . 2]" 3
1041 1 46 LEU HB2 1 46 LEU MD2 2.083 . 2.625 2.216 2.129 2.328 . 0 0 "[ . 1 . 2]" 3
1042 1 46 LEU HB2 1 47 TYR HB3 2.982 . 4.094 4.056 3.898 4.285 0.191 20 0 "[ . 1 . 2]" 3
1043 1 46 LEU HB3 1 47 TYR HB3 3.225 . 4.825 4.568 4.147 4.753 . 0 0 "[ . 1 . 2]" 3
1044 1 43 CYS HA 1 46 LEU HB3 3.415 . 4.872 4.124 3.651 4.872 . 0 0 "[ . 1 . 2]" 3
1045 1 4 VAL HA 1 5 LEU QB 3.493 . 5.018 3.883 3.772 4.465 . 0 0 "[ . 1 . 2]" 3
1046 1 46 LEU HB3 1 47 TYR QD 3.301 . 4.663 4.332 4.002 4.585 . 0 0 "[ . 1 . 2]" 3
1047 1 23 LEU QB 1 24 TRP HD1 2.317 . 2.988 2.477 2.422 2.662 . 0 0 "[ . 1 . 2]" 3
1048 1 45 GLY QA 1 46 LEU HB2 3.742 . 5.492 4.813 4.633 4.985 . 0 0 "[ . 1 . 2]" 3
1049 1 21 PRO HB2 1 23 LEU QB 3.035 . 4.486 2.626 2.445 2.879 . 0 0 "[ . 1 . 2]" 3
1050 1 23 LEU HA 1 23 LEU QB 1.910 . 2.366 2.349 2.309 2.384 0.018 10 0 "[ . 1 . 2]" 3
1051 1 42 ARG HD3 1 46 LEU HB3 3.632 . 5.281 5.017 4.304 5.381 0.100 7 0 "[ . 1 . 2]" 3
1052 1 46 LEU HB3 1 47 TYR HA 3.456 . 4.949 4.261 3.864 4.544 . 0 0 "[ . 1 . 2]" 3
1053 1 84 LYS QD 1 84 LYS QE 1.754 . 2.139 2.068 2.037 2.090 . 0 0 "[ . 1 . 2]" 3
1054 1 84 LYS QE 1 84 LYS QG 1.940 . 2.410 2.108 2.029 2.147 . 0 0 "[ . 1 . 2]" 3
1055 1 79 PRO HG2 1 84 LYS QE 2.347 . 4.236 4.279 4.153 4.362 0.126 16 0 "[ . 1 . 2]" 3
1056 1 79 PRO QD 1 84 LYS QE 2.763 . 3.917 2.969 2.728 3.200 . 0 0 "[ . 1 . 2]" 3
1057 1 81 CYS HA 1 82 LYS HE3 3.327 . 6.510 6.579 6.537 6.619 0.109 9 0 "[ . 1 . 2]" 3
1058 1 79 PRO HA 1 84 LYS QE 2.742 . 3.682 2.640 2.098 3.084 . 0 0 "[ . 1 . 2]" 3
1059 1 61 PHE HB3 1 61 PHE QE 3.199 . 4.478 4.378 4.371 4.391 . 0 0 "[ . 1 . 2]" 3
1060 1 65 SER HB2 1 82 LYS HE3 3.448 . 4.934 3.493 2.094 4.195 . 0 0 "[ . 1 . 2]" 3
1061 1 73 TRP HA 1 76 ASP HB3 2.797 . 3.775 2.727 2.532 3.028 . 0 0 "[ . 1 . 2]" 3
1062 1 39 TRP HE3 1 42 ARG HD3 3.334 . 6.500 5.619 4.957 6.010 . 0 0 "[ . 1 . 2]" 3
1063 1 12 PHE HZ 1 42 ARG HD3 2.736 . 3.672 2.411 1.967 3.186 . 0 0 "[ . 1 . 2]" 3
1064 1 39 TRP HE3 1 42 ARG HD2 3.742 . 5.492 5.021 4.515 5.492 . 0 0 "[ . 1 . 2]" 3
1065 1 12 PHE HZ 1 42 ARG HD2 2.903 . 3.956 2.569 1.986 3.615 . 0 0 "[ . 1 . 2]" 3
1066 1 12 PHE QB 1 22 GLN HG3 3.184 . 4.451 3.443 3.157 3.574 . 0 0 "[ . 1 . 2]" 3
1067 1 64 LEU HB2 1 83 ASP HB2 3.465 . 4.966 3.658 3.287 3.927 . 0 0 "[ . 1 . 2]" 3
1068 1 82 LYS HB3 1 83 ASP HB2 3.361 . 4.773 4.023 3.732 4.218 . 0 0 "[ . 1 . 2]" 3
1069 1 64 LEU HB2 1 83 ASP HB3 3.276 . 4.618 2.916 2.253 3.246 . 0 0 "[ . 1 . 2]" 3
1070 1 24 TRP HA 1 27 ASP HB3 3.474 . 4.983 2.444 1.908 3.265 0.057 14 0 "[ . 1 . 2]" 3
1071 1 42 ARG HD3 1 42 ARG HG2 2.396 . 3.114 2.777 2.591 2.946 . 0 0 "[ . 1 . 2]" 3
1072 1 42 ARG HD2 1 42 ARG HG2 2.403 . 3.125 2.867 2.697 2.994 . 0 0 "[ . 1 . 2]" 3
1073 1 42 ARG HD2 1 42 ARG HG3 2.251 . 2.884 2.258 2.221 2.326 . 0 0 "[ . 1 . 2]" 3
1074 1 36 SER HB3 1 42 ARG HD3 3.204 . 6.500 5.247 4.775 5.721 . 0 0 "[ . 1 . 2]" 3
1075 1 36 SER HB3 1 42 ARG HD2 3.376 . 4.801 4.102 3.375 4.593 . 0 0 "[ . 1 . 2]" 3
1076 1 42 ARG HA 1 42 ARG HD2 2.222 . 6.500 3.704 3.460 3.892 . 0 0 "[ . 1 . 2]" 3
1077 1 61 PHE HB3 1 69 ILE HG12 2.712 . 4.281 3.992 3.762 4.219 . 0 0 "[ . 1 . 2]" 3
1078 1 61 PHE HB3 1 74 ARG HD2 3.060 . 4.931 4.921 4.732 5.022 0.091 16 0 "[ . 1 . 2]" 3
1079 1 61 PHE HB3 1 69 ILE HG13 2.625 . 3.486 2.441 2.159 2.688 . 0 0 "[ . 1 . 2]" 3
1080 1 61 PHE HB3 1 69 ILE MD 2.631 . 3.497 3.035 2.902 3.176 . 0 0 "[ . 1 . 2]" 3
1081 1 61 PHE HB2 1 74 ARG HB2 2.660 . 3.544 2.969 2.786 3.239 . 0 0 "[ . 1 . 2]" 3
1082 1 61 PHE HB2 1 74 ARG HB3 3.259 . 4.586 4.216 3.960 4.709 0.123 19 0 "[ . 1 . 2]" 3
1083 1 61 PHE HB2 1 74 ARG HG3 2.750 . 4.196 3.553 3.362 3.891 . 0 0 "[ . 1 . 2]" 3
1084 1 61 PHE HB2 1 69 ILE HG13 2.809 . 6.500 4.193 3.915 4.438 . 0 0 "[ . 1 . 2]" 3
1085 1 61 PHE HB2 1 71 SER HA 2.600 . 3.445 2.253 2.104 2.340 . 0 0 "[ . 1 . 2]" 3
1086 1 12 PHE QB 1 20 ILE HG13 2.826 . 3.824 2.457 2.265 2.759 . 0 0 "[ . 1 . 2]" 3
1087 1 82 LYS HB3 1 82 LYS HE2 2.885 . 3.926 3.532 3.251 3.769 . 0 0 "[ . 1 . 2]" 3
1088 1 82 LYS QD 1 82 LYS HE2 2.202 . 2.808 2.302 2.248 2.387 . 0 0 "[ . 1 . 2]" 3
1089 1 34 ASP HB3 1 39 TRP HZ2 3.282 . 4.629 3.103 2.390 3.674 . 0 0 "[ . 1 . 2]" 3
1090 1 34 ASP HB2 1 39 TRP HZ2 3.301 . 5.063 4.492 3.875 4.964 . 0 0 "[ . 1 . 2]" 3
1091 1 12 PHE QE 1 14 CYS HB3 3.038 . 4.792 4.710 4.188 4.902 0.110 8 0 "[ . 1 . 2]" 3
1092 1 49 PHE QB 1 49 PHE QD 2.001 . 2.501 2.141 2.124 2.181 . 0 0 "[ . 1 . 2]" 3
1093 1 20 ILE HB 1 24 TRP HE3 2.890 . 3.934 2.287 1.952 2.453 . 0 0 "[ . 1 . 2]" 3
1094 1 90 CYS HA 1 90 CYS HB2 2.106 . 2.710 2.730 2.318 2.947 0.237 16 0 "[ . 1 . 2]" 3
1095 1 90 CYS HB2 1 91 ALA HA 3.270 . 5.507 5.354 4.931 5.822 0.315 5 0 "[ . 1 . 2]" 3
1096 1 43 CYS HA 1 43 CYS HB2 2.347 . 3.035 2.709 2.500 3.016 . 0 0 "[ . 1 . 2]" 3
1097 1 26 CYS HA 1 37 ASP HB3 3.087 . 5.878 5.456 5.048 5.995 0.117 14 0 "[ . 1 . 2]" 3
1098 1 14 CYS HB3 1 32 CYS HB3 2.334 . 3.015 2.342 2.142 3.024 0.009 8 0 "[ . 1 . 2]" 3
1099 1 62 HIS HA 1 63 CYS HB3 3.174 . 5.334 4.408 4.098 5.101 . 0 0 "[ . 1 . 2]" 3
1100 1 63 CYS HB3 1 67 GLU HB2 3.465 . 5.666 5.581 4.504 6.268 0.602 15 1 "[ . 1 + 2]" 3
1101 1 63 CYS HB3 1 67 GLU HG2 3.137 . 4.367 4.129 2.367 4.507 0.140 11 0 "[ . 1 . 2]" 3
1102 1 40 PRO HA 1 43 CYS HB3 2.538 . 4.443 3.509 2.893 4.532 0.089 14 0 "[ . 1 . 2]" 3
1103 1 63 CYS HA 1 63 CYS HB2 2.124 . 2.688 2.400 2.243 2.711 0.023 7 0 "[ . 1 . 2]" 3
1104 1 81 CYS HA 1 81 CYS HB2 2.233 . 2.856 2.457 2.382 2.913 0.057 19 0 "[ . 1 . 2]" 3
1105 1 7 CYS HB3 1 19 CYS HA 3.320 . 5.398 5.161 4.677 5.422 0.024 13 0 "[ . 1 . 2]" 3
1106 1 33 GLU HB3 1 34 ASP HB2 3.146 . 4.383 3.586 3.122 3.968 . 0 0 "[ . 1 . 2]" 3
1107 1 20 ILE HA 1 20 ILE HB 2.536 . 3.340 2.435 2.405 2.475 . 0 0 "[ . 1 . 2]" 3
1108 1 20 ILE HB 1 21 PRO HA 3.620 . 5.258 5.089 5.018 5.145 . 0 0 "[ . 1 . 2]" 3
1109 1 20 ILE HB 1 24 TRP HB2 2.638 . 3.508 2.551 2.422 2.707 . 0 0 "[ . 1 . 2]" 3
1110 1 20 ILE HB 1 20 ILE HG13 2.890 . 3.934 2.553 2.492 2.603 . 0 0 "[ . 1 . 2]" 3
1111 1 20 ILE HB 1 20 ILE HG12 2.738 . 3.675 3.014 3.004 3.027 . 0 0 "[ . 1 . 2]" 3
1112 1 20 ILE HB 1 21 PRO HG2 3.209 . 4.496 3.513 3.357 3.630 . 0 0 "[ . 1 . 2]" 3
1113 1 32 CYS HB2 1 37 ASP HB2 3.574 . 5.171 5.052 4.486 5.492 0.321 12 0 "[ . 1 . 2]" 3
1114 1 12 PHE QD 1 20 ILE HB 3.671 . 5.355 4.821 4.440 5.241 . 0 0 "[ . 1 . 2]" 3
1115 1 69 ILE MD 1 81 CYS HB3 3.742 . 5.492 4.533 4.349 5.328 . 0 0 "[ . 1 . 2]" 3
1116 1 81 CYS HB3 1 83 ASP HB2 3.712 . 5.635 5.064 4.539 5.572 . 0 0 "[ . 1 . 2]" 3
1117 1 81 CYS HB3 1 84 LYS HA 2.924 . 3.993 2.729 2.149 3.425 . 0 0 "[ . 1 . 2]" 3
1118 1 81 CYS HA 1 81 CYS HB3 2.288 . 2.942 3.010 2.778 3.028 0.086 5 0 "[ . 1 . 2]" 3
1119 1 69 ILE HG12 1 86 ASP HB3 3.542 . 5.110 4.769 4.539 5.009 . 0 0 "[ . 1 . 2]" 3
1120 1 74 ARG HD2 1 86 ASP HB3 3.423 . 5.787 5.293 5.029 5.465 . 0 0 "[ . 1 . 2]" 3
1121 1 74 ARG HB3 1 86 ASP HB3 3.327 . 5.410 4.937 4.831 5.097 . 0 0 "[ . 1 . 2]" 3
1122 1 86 ASP HA 1 86 ASP HB3 2.215 . 2.828 2.357 2.319 2.388 . 0 0 "[ . 1 . 2]" 3
1123 1 7 CYS HB2 1 11 SER HA 3.727 . 5.463 5.071 4.684 5.509 0.046 11 0 "[ . 1 . 2]" 3
1124 1 7 CYS HB2 1 19 CYS HA 3.742 . 5.492 4.202 3.846 4.574 . 0 0 "[ . 1 . 2]" 3
1125 1 14 CYS HB2 1 32 CYS HB3 2.236 . 3.411 3.216 2.717 3.521 0.110 19 0 "[ . 1 . 2]" 3
1126 1 20 ILE MD 1 37 ASP HB3 2.374 . 3.079 1.893 1.818 2.654 . 0 0 "[ . 1 . 2]" 3
1127 1 74 ARG HD2 1 86 ASP HB2 3.095 . 5.142 5.154 5.017 5.272 0.130 20 0 "[ . 1 . 2]" 3
1128 1 69 ILE MD 1 86 ASP HB2 2.433 . 3.673 3.667 3.557 3.816 0.143 20 0 "[ . 1 . 2]" 3
1129 1 7 CYS HB2 1 13 GLN HG3 3.399 . 4.843 4.194 3.883 4.716 . 0 0 "[ . 1 . 2]" 3
1130 1 64 LEU HA 1 64 LEU HB3 2.140 . 2.712 2.673 2.594 2.777 0.065 5 0 "[ . 1 . 2]" 3
1131 1 64 LEU HB3 1 64 LEU MD1 2.393 . 3.109 3.187 3.163 3.194 0.085 6 0 "[ . 1 . 2]" 3
1132 1 64 LEU HB2 1 64 LEU MD2 2.251 . 2.885 2.220 2.126 2.366 . 0 0 "[ . 1 . 2]" 3
1133 1 64 LEU HB2 1 64 LEU MD1 2.245 . 2.875 2.435 2.302 2.623 . 0 0 "[ . 1 . 2]" 3
1134 1 64 LEU HB3 1 64 LEU HG 2.123 . 2.686 2.400 2.316 2.450 . 0 0 "[ . 1 . 2]" 3
1135 1 47 TYR HB3 1 47 TYR QD 2.163 . 2.748 2.491 2.441 2.711 . 0 0 "[ . 1 . 2]" 3
1136 1 47 TYR HB2 1 47 TYR QD 2.171 . 6.500 2.344 2.296 2.515 . 0 0 "[ . 1 . 2]" 3
1137 1 43 CYS HB2 1 47 TYR HB3 3.942 . 6.384 6.141 5.424 6.571 0.187 17 0 "[ . 1 . 2]" 3
1138 1 46 LEU HA 1 47 TYR HB3 3.552 . 6.500 5.715 5.418 5.925 . 0 0 "[ . 1 . 2]" 3
1139 1 47 TYR HA 1 47 TYR HB3 2.232 . 2.855 2.447 2.408 2.487 . 0 0 "[ . 1 . 2]" 3
1140 1 59 PHE HB3 1 60 GLU HG3 3.632 . 5.281 4.515 4.300 4.964 . 0 0 "[ . 1 . 2]" 3
1141 1 59 PHE HB2 1 60 GLU HG3 3.608 . 5.235 3.229 3.078 3.604 . 0 0 "[ . 1 . 2]" 3
1142 1 57 SER HB2 1 59 PHE HB3 3.900 . 5.801 5.379 4.943 5.781 . 0 0 "[ . 1 . 2]" 3
1143 1 59 PHE HA 1 59 PHE HB3 2.091 . 2.637 2.380 2.332 2.495 . 0 0 "[ . 1 . 2]" 3
1144 1 59 PHE HB3 1 71 SER HB3 4.012 . 6.224 5.997 5.209 6.307 0.083 14 0 "[ . 1 . 2]" 3
1145 1 57 SER HB2 1 59 PHE HB2 3.684 . 5.381 3.775 3.285 4.084 . 0 0 "[ . 1 . 2]" 3
1146 1 59 PHE HB3 1 59 PHE QD 2.323 . 6.500 2.401 2.288 2.754 . 0 0 "[ . 1 . 2]" 3
1147 1 59 PHE HB3 1 59 PHE QE 3.448 . 4.934 4.408 4.377 4.500 . 0 0 "[ . 1 . 2]" 3
1148 1 15 ASN HB3 1 39 TRP HZ3 2.267 . 2.910 2.594 2.183 2.927 0.017 16 0 "[ . 1 . 2]" 3
1149 1 15 ASN HB3 1 39 TRP HE3 3.474 . 4.983 3.730 3.458 3.938 . 0 0 "[ . 1 . 2]" 3
1150 1 28 ASN QB 1 29 ASP HA 3.423 . 4.887 4.251 4.089 4.651 . 0 0 "[ . 1 . 2]" 3
1151 1 15 ASN HB3 1 36 SER HA 3.165 . 4.417 4.293 3.925 4.574 0.157 6 0 "[ . 1 . 2]" 3
1152 1 15 ASN HB3 1 36 SER HB2 2.866 . 3.893 3.628 2.465 3.976 0.083 12 0 "[ . 1 . 2]" 3
1153 1 28 ASN QB 1 29 ASP HB3 3.259 . 6.500 5.025 4.924 5.260 . 0 0 "[ . 1 . 2]" 3
1154 1 27 ASP HA 1 28 ASN QB 3.214 . 4.506 4.231 4.161 4.375 . 0 0 "[ . 1 . 2]" 3
1155 1 15 ASN HB2 1 39 TRP HE3 3.757 . 5.522 3.525 3.259 4.123 . 0 0 "[ . 1 . 2]" 3
1156 1 15 ASN HB2 1 39 TRP HZ3 2.830 . 3.831 3.221 2.791 3.856 0.025 12 0 "[ . 1 . 2]" 3
1157 1 56 CYS HA 1 56 CYS HB3 2.276 . 2.923 2.309 2.254 2.400 . 0 0 "[ . 1 . 2]" 3
1158 1 56 CYS HA 1 56 CYS HB2 2.248 . 2.879 2.981 2.920 3.019 0.140 5 0 "[ . 1 . 2]" 3
1159 1 56 CYS HB2 1 68 CYS HA 3.712 . 5.435 4.752 4.251 4.974 . 0 0 "[ . 1 . 2]" 3
1160 1 56 CYS HB3 1 62 HIS HD2 4.254 . 6.516 5.557 4.709 6.382 . 0 0 "[ . 1 . 2]" 3
1161 1 56 CYS HB3 1 68 CYS QB 2.617 . 3.473 2.347 2.119 2.604 . 0 0 "[ . 1 . 2]" 3
1162 1 56 CYS HB3 1 62 HIS HB3 3.214 . 6.500 6.346 6.129 6.580 0.080 5 0 "[ . 1 . 2]" 3
1163 1 56 CYS HB3 1 60 GLU HB3 2.522 . 3.317 2.923 2.542 3.231 . 0 0 "[ . 1 . 2]" 3
1164 1 56 CYS HB3 1 60 GLU HB2 2.606 . 3.455 2.535 2.357 2.910 . 0 0 "[ . 1 . 2]" 3
1165 1 56 CYS HB2 1 60 GLU HB3 2.454 . 3.507 3.454 3.186 3.654 0.147 20 0 "[ . 1 . 2]" 3
1166 1 56 CYS HB2 1 60 GLU HB2 2.533 . 3.335 2.565 2.232 2.843 . 0 0 "[ . 1 . 2]" 3
1167 1 56 CYS HB2 1 68 CYS QB 2.557 . 3.674 3.726 3.548 3.888 0.214 8 0 "[ . 1 . 2]" 3
1168 1 56 CYS HB2 1 62 HIS HB3 3.225 . 5.575 5.307 5.030 5.592 0.017 5 0 "[ . 1 . 2]" 3
1169 1 56 CYS HB3 1 70 HIS HA 4.120 . 6.242 6.154 5.851 6.339 0.097 17 0 "[ . 1 . 2]" 3
1170 1 15 ASN HB2 1 42 ARG HG3 2.765 . 3.720 3.272 2.840 3.807 0.087 12 0 "[ . 1 . 2]" 3
1171 1 15 ASN HB2 1 42 ARG HD2 3.880 . 5.761 3.657 3.410 4.644 . 0 0 "[ . 1 . 2]" 3
1172 1 15 ASN HB2 1 42 ARG HA 4.183 . 6.500 6.427 5.900 6.664 0.164 5 0 "[ . 1 . 2]" 3
1173 1 28 ASN QB 1 38 GLU HG3 3.712 . 6.500 5.696 5.463 6.042 . 0 0 "[ . 1 . 2]" 3
1174 1 60 GLU HA 1 60 GLU HG3 2.603 . 3.450 2.991 2.806 3.264 . 0 0 "[ . 1 . 2]" 3
1175 1 60 GLU HG2 1 70 HIS HD2 3.900 . 5.801 2.873 2.344 3.234 . 0 0 "[ . 1 . 2]" 3
1176 1 60 GLU HG3 1 70 HIS HA 2.815 . 4.106 4.150 3.545 4.282 0.176 8 0 "[ . 1 . 2]" 3
1177 1 57 SER HB2 1 60 GLU HG2 3.031 . 4.180 3.728 3.509 4.115 . 0 0 "[ . 1 . 2]" 3
1178 1 60 GLU HG3 1 68 CYS QB 3.155 . 6.500 5.631 5.294 5.821 . 0 0 "[ . 1 . 2]" 3
1179 1 60 GLU HG2 1 68 CYS QB 3.120 . 5.137 4.951 4.743 5.174 0.037 17 0 "[ . 1 . 2]" 3
1180 1 56 CYS HB2 1 60 GLU HG3 3.585 . 5.192 5.029 4.707 5.227 0.035 20 0 "[ . 1 . 2]" 3
1181 1 56 CYS HB2 1 60 GLU HG2 3.532 . 5.591 5.400 5.047 5.666 0.075 17 0 "[ . 1 . 2]" 3
1182 1 26 CYS HB2 1 46 LEU HB2 3.645 . 5.706 4.777 3.732 5.662 . 0 0 "[ . 1 . 2]" 3
1183 1 26 CYS HB3 1 43 CYS HB2 3.247 . 5.465 4.688 3.924 5.818 0.353 19 0 "[ . 1 . 2]" 3
1184 1 26 CYS HB2 1 43 CYS HB2 3.060 . 5.181 3.959 2.912 4.984 . 0 0 "[ . 1 . 2]" 3
1185 1 88 GLU HB2 1 89 ASN HB3 3.552 . 5.129 4.290 4.064 4.674 . 0 0 "[ . 1 . 2]" 3
1186 1 26 CYS HB2 1 38 GLU HA 3.137 . 4.767 3.597 3.009 4.805 0.038 7 0 "[ . 1 . 2]" 3
1187 1 26 CYS HB2 1 47 TYR QE 3.824 . 5.652 5.183 4.313 5.754 0.102 11 0 "[ . 1 . 2]" 3
1188 1 26 CYS HB2 1 47 TYR QD 3.563 . 5.150 3.863 3.448 4.369 . 0 0 "[ . 1 . 2]" 3
1189 1 74 ARG HG2 1 75 CYS HB3 3.347 . 5.048 4.743 4.283 5.158 0.110 7 0 "[ . 1 . 2]" 3
1190 1 74 ARG HG2 1 75 CYS HB2 3.137 . 5.117 3.936 3.301 4.440 . 0 0 "[ . 1 . 2]" 3
1191 1 74 ARG HG3 1 75 CYS HB3 3.757 . 6.700 6.340 5.790 6.857 0.157 7 0 "[ . 1 . 2]" 3
1192 1 75 CYS HB3 1 90 CYS HB2 2.955 . 4.047 3.813 3.202 4.316 0.269 20 0 "[ . 1 . 2]" 3
1193 1 75 CYS HB2 1 90 CYS HB2 2.961 . 4.857 3.462 2.321 4.803 . 0 0 "[ . 1 . 2]" 3
1194 1 75 CYS HB3 1 90 CYS HA 3.502 . 5.735 5.444 4.039 6.050 0.315 5 0 "[ . 1 . 2]" 3
1195 1 87 GLU HB3 1 87 GLU HG2 2.439 . 3.182 3.008 3.002 3.010 . 0 0 "[ . 1 . 2]" 3
1196 1 79 PRO HA 1 87 GLU HG3 2.511 . 3.299 2.958 2.701 3.341 0.042 12 0 "[ . 1 . 2]" 3
1197 1 67 GLU HG3 1 69 ILE MG 2.797 . 3.775 3.084 2.282 3.784 0.009 14 0 "[ . 1 . 2]" 3
1198 1 63 CYS HB3 1 67 GLU HG3 3.920 . 5.841 5.470 4.086 6.088 0.247 19 0 "[ . 1 . 2]" 3
1199 1 67 GLU HA 1 67 GLU HG3 2.684 . 3.584 2.810 2.469 3.599 0.015 1 0 "[ . 1 . 2]" 3
1200 1 67 GLU HG3 1 81 CYS HA 3.900 . 5.801 5.384 4.149 5.953 0.152 13 0 "[ . 1 . 2]" 3
1201 1 67 GLU HG2 1 69 ILE HA 3.773 . 5.553 5.117 4.681 5.713 0.160 16 0 "[ . 1 . 2]" 3
1202 1 85 SER HA 1 88 GLU HG3 2.452 . 6.500 3.286 2.971 3.698 . 0 0 "[ . 1 . 2]" 3
1203 1 88 GLU HA 1 88 GLU HG2 2.294 . 6.500 2.917 2.800 3.016 . 0 0 "[ . 1 . 2]" 3
1204 1 79 PRO HA 1 87 GLU HG2 2.522 . 3.717 3.063 2.831 3.312 . 0 0 "[ . 1 . 2]" 3
1205 1 84 LYS QD 1 88 GLU HG2 3.199 . 4.778 3.337 3.052 3.573 . 0 0 "[ . 1 . 2]" 3
1206 1 84 LYS QG 1 88 GLU HG2 3.474 . 4.983 3.514 2.973 4.259 . 0 0 "[ . 1 . 2]" 3
1207 1 84 LYS QD 1 88 GLU HG3 3.456 . 5.499 4.707 4.386 4.898 . 0 0 "[ . 1 . 2]" 3
1208 1 64 LEU MD2 1 88 GLU HG2 3.532 . 6.391 5.961 5.229 6.294 . 0 0 "[ . 1 . 2]" 3
1209 1 88 GLU HB3 1 88 GLU HG3 2.062 . 2.594 2.388 2.374 2.409 . 0 0 "[ . 1 . 2]" 3
1210 1 88 GLU HB2 1 88 GLU HG2 1.853 . 2.282 2.392 2.377 2.414 0.132 20 0 "[ . 1 . 2]" 3
1211 1 84 LYS QE 1 88 GLU HG3 3.288 . 6.200 6.224 5.998 6.287 0.087 3 0 "[ . 1 . 2]" 3
1212 1 84 LYS QE 1 88 GLU HG2 3.099 . 6.500 4.678 4.481 4.757 . 0 0 "[ . 1 . 2]" 3
1213 1 85 SER HB3 1 88 GLU HG2 2.368 . 6.500 5.831 5.008 6.421 . 0 0 "[ . 1 . 2]" 3
1214 1 87 GLU HB2 1 87 GLU HG2 2.447 . 3.196 2.425 2.367 2.456 . 0 0 "[ . 1 . 2]" 3
1215 1 79 PRO QD 1 87 GLU HG3 3.585 . 5.192 4.204 4.021 4.539 . 0 0 "[ . 1 . 2]" 3
1216 1 79 PRO QD 1 87 GLU HG2 3.712 . 5.435 5.404 5.090 5.532 0.097 12 0 "[ . 1 . 2]" 3
1217 1 38 GLU HB2 1 38 GLU HG3 2.709 . 3.626 2.389 2.277 2.482 . 0 0 "[ . 1 . 2]" 3
1218 1 38 GLU HB2 1 38 GLU HG2 2.631 . 3.497 2.474 2.377 2.617 . 0 0 "[ . 1 . 2]" 3
1219 1 38 GLU HB3 1 38 GLU HG3 2.664 . 3.551 2.466 2.373 2.602 . 0 0 "[ . 1 . 2]" 3
1220 1 38 GLU HB3 1 38 GLU HG2 2.687 . 3.589 3.004 2.986 3.010 . 0 0 "[ . 1 . 2]" 3
1221 1 28 ASN HA 1 38 GLU HG2 3.671 . 6.500 6.017 5.714 6.282 . 0 0 "[ . 1 . 2]" 3
1222 1 30 PRO HA 1 38 GLU HG3 2.677 . 3.573 2.880 2.476 3.177 . 0 0 "[ . 1 . 2]" 3
1223 1 38 GLU HA 1 38 GLU HG3 3.116 . 4.329 3.889 3.766 4.009 . 0 0 "[ . 1 . 2]" 3
1224 1 59 PHE QD 1 60 GLU HG3 3.806 . 5.617 4.399 4.011 4.848 . 0 0 "[ . 1 . 2]" 3
1225 1 30 PRO HD2 1 38 GLU HG3 3.596 . 5.213 4.371 3.939 5.093 . 0 0 "[ . 1 . 2]" 3
1226 1 30 PRO HB3 1 38 GLU HG2 2.988 . 4.104 3.740 3.360 4.217 0.113 10 0 "[ . 1 . 2]" 3
1227 1 60 GLU HB2 1 70 HIS HA 3.079 . 4.564 4.635 4.322 4.751 0.187 4 0 "[ . 1 . 2]" 3
1228 1 60 GLU HB2 1 68 CYS HA 4.183 . 6.370 5.791 5.242 6.004 . 0 0 "[ . 1 . 2]" 3
1229 1 13 GLN HG2 1 17 SER HA 2.486 . 3.758 3.726 3.513 3.912 0.154 13 0 "[ . 1 . 2]" 3
1230 1 13 GLN HG3 1 19 CYS HA 3.288 . 4.640 3.329 2.439 3.882 . 0 0 "[ . 1 . 2]" 3
1231 1 13 GLN HB2 1 13 GLN HG2 2.415 . 3.144 2.976 2.884 3.009 . 0 0 "[ . 1 . 2]" 3
1232 1 60 GLU HB3 1 70 HIS HD2 3.987 . 5.974 4.571 4.165 5.112 . 0 0 "[ . 1 . 2]" 3
1233 1 50 GLN HA 1 50 GLN QG 2.092 . 2.789 2.529 2.323 2.827 0.038 14 0 "[ . 1 . 2]" 3
1234 1 39 TRP HE3 1 41 GLN HG3 3.483 . 5.000 3.212 2.831 3.353 . 0 0 "[ . 1 . 2]" 3
1235 1 39 TRP HZ3 1 41 GLN HG3 3.880 . 5.761 4.868 4.381 5.153 . 0 0 "[ . 1 . 2]" 3
1236 1 39 TRP HD1 1 41 GLN HG2 3.806 . 5.817 5.754 5.333 5.927 0.110 16 0 "[ . 1 . 2]" 3
1237 1 39 TRP HE3 1 41 GLN HG2 3.502 . 5.035 3.505 2.978 3.717 . 0 0 "[ . 1 . 2]" 3
1238 1 41 GLN HG3 1 42 ARG HA 3.698 . 5.407 4.132 3.672 4.368 . 0 0 "[ . 1 . 2]" 3
1239 1 41 GLN HA 1 41 GLN HG3 2.427 . 6.500 3.995 3.827 4.162 . 0 0 "[ . 1 . 2]" 3
1240 1 41 GLN HG2 1 42 ARG HA 3.542 . 5.110 4.693 4.556 5.097 . 0 0 "[ . 1 . 2]" 3
1241 1 40 PRO HD3 1 41 GLN HG2 2.371 . 4.873 4.920 4.837 4.973 0.100 13 0 "[ . 1 . 2]" 3
1242 1 39 TRP HB3 1 41 GLN HG3 3.295 . 4.652 3.415 3.199 3.557 . 0 0 "[ . 1 . 2]" 3
1243 1 39 TRP HB2 1 41 GLN HG3 3.512 . 5.054 4.378 4.109 4.652 . 0 0 "[ . 1 . 2]" 3
1244 1 39 TRP HB2 1 41 GLN HG2 3.757 . 5.522 3.800 3.642 3.899 . 0 0 "[ . 1 . 2]" 3
1245 1 41 GLN HG3 1 42 ARG HG2 3.334 . 4.723 2.389 2.008 3.145 . 0 0 "[ . 1 . 2]" 3
1246 1 41 GLN HG2 1 42 ARG HG2 3.502 . 5.035 3.396 3.151 3.811 . 0 0 "[ . 1 . 2]" 3
1247 1 41 GLN QB 1 41 GLN HG3 1.970 . 2.455 2.191 2.129 2.281 . 0 0 "[ . 1 . 2]" 3
1248 1 41 GLN QB 1 41 GLN HG2 1.971 . 2.456 2.483 2.401 2.530 0.074 14 0 "[ . 1 . 2]" 3
1249 1 41 GLN HG3 1 46 LEU MD2 3.860 . 5.723 5.643 5.356 5.893 0.170 19 0 "[ . 1 . 2]" 3
1250 1 41 GLN HG2 1 46 LEU MD2 4.091 . 6.183 5.978 5.656 6.336 0.153 20 0 "[ . 1 . 2]" 3
1251 1 4 VAL HB 1 6 THR MG 3.632 . 5.281 4.907 4.502 5.351 0.070 10 0 "[ . 1 . 2]" 3
1252 1 4 VAL HB 1 5 LEU QB 3.742 . 5.492 4.079 3.797 4.325 . 0 0 "[ . 1 . 2]" 3
1253 1 3 PRO HB3 1 3 PRO HD3 2.544 . 3.353 2.916 2.905 2.922 . 0 0 "[ . 1 . 2]" 3
1254 1 39 TRP HA 1 40 PRO HB3 3.301 . 6.500 5.493 5.449 5.519 . 0 0 "[ . 1 . 2]" 3
1255 1 39 TRP HA 1 40 PRO HB2 2.973 . 6.500 5.103 5.066 5.183 . 0 0 "[ . 1 . 2]" 3
1256 1 55 PRO HB3 1 55 PRO HD3 2.731 . 6.500 3.102 2.962 3.230 . 0 0 "[ . 1 . 2]" 3
1257 1 40 PRO HB3 1 40 PRO HD2 2.704 . 6.500 3.915 3.897 3.926 . 0 0 "[ . 1 . 2]" 3
1258 1 9 PRO HB3 1 9 PRO QD 2.229 . 3.150 2.877 2.862 2.889 . 0 0 "[ . 1 . 2]" 3
1259 1 65 SER HB2 1 82 LYS HB3 2.178 . 3.271 2.850 2.526 3.219 . 0 0 "[ . 1 . 2]" 3
1260 1 62 HIS HB3 1 68 CYS HA 3.806 . 5.617 5.409 4.890 5.754 0.137 10 0 "[ . 1 . 2]" 3
1261 1 62 HIS HB2 1 68 CYS HA 3.742 . 5.492 4.470 3.687 4.844 . 0 0 "[ . 1 . 2]" 3
1262 1 62 HIS HB3 1 62 HIS HD2 3.155 . 4.400 3.913 3.794 3.962 . 0 0 "[ . 1 . 2]" 3
1263 1 62 HIS HB2 1 62 HIS HD2 2.958 . 4.052 3.371 3.206 3.600 . 0 0 "[ . 1 . 2]" 3
1264 1 55 PRO HD3 1 62 HIS HB2 3.698 . 5.407 4.067 3.614 5.439 0.032 19 0 "[ . 1 . 2]" 3
1265 1 55 PRO HD3 1 62 HIS HB3 3.900 . 5.801 4.528 3.780 5.823 0.022 19 0 "[ . 1 . 2]" 3
1266 1 21 PRO HB3 1 24 TRP HD1 3.423 . 5.387 5.378 5.045 5.533 0.146 13 0 "[ . 1 . 2]" 3
1267 1 21 PRO HB3 1 24 TRP HE3 3.512 . 6.500 6.596 6.365 6.685 0.185 3 0 "[ . 1 . 2]" 3
1268 1 3 PRO HB3 1 6 THR MG 3.512 . 5.054 4.771 4.532 4.953 . 0 0 "[ . 1 . 2]" 3
1269 1 40 PRO HB3 1 44 ARG QD 3.384 . 4.815 3.738 2.217 4.871 0.056 17 0 "[ . 1 . 2]" 3
1270 1 40 PRO HB3 1 44 ARG QG 3.320 . 4.698 4.424 3.467 4.861 0.163 17 0 "[ . 1 . 2]" 3
1271 1 40 PRO HB3 1 40 PRO HG2 2.090 . 2.636 2.667 2.661 2.678 0.042 12 0 "[ . 1 . 2]" 3
1272 1 29 ASP HA 1 30 PRO HB3 3.288 . 6.500 5.394 5.261 5.479 . 0 0 "[ . 1 . 2]" 3
1273 1 29 ASP HA 1 30 PRO HB2 3.189 . 6.500 5.239 5.173 5.391 . 0 0 "[ . 1 . 2]" 3
1274 1 30 PRO HB2 1 30 PRO HD3 2.837 . 3.843 3.906 3.878 3.962 0.119 18 0 "[ . 1 . 2]" 3
1275 1 30 PRO HB2 1 30 PRO HD2 2.878 . 3.913 2.981 2.946 3.081 . 0 0 "[ . 1 . 2]" 3
1276 1 29 ASP HB3 1 30 PRO HB2 3.806 . 5.617 5.194 5.030 5.344 . 0 0 "[ . 1 . 2]" 3
1277 1 30 PRO HB2 1 35 GLY HA2 2.702 . 3.615 3.270 2.811 3.646 0.031 12 0 "[ . 1 . 2]" 3
1278 1 79 PRO HB2 1 84 LYS QE 2.843 . 3.854 3.598 3.471 3.688 . 0 0 "[ . 1 . 2]" 3
1279 1 20 ILE HA 1 21 PRO HB3 3.391 . 6.500 5.206 5.077 5.322 . 0 0 "[ . 1 . 2]" 3
1280 1 11 SER HA 1 21 PRO HB3 3.236 . 4.745 4.264 3.942 4.481 . 0 0 "[ . 1 . 2]" 3
1281 1 21 PRO HB3 1 21 PRO HD3 2.815 . 3.806 3.033 2.945 3.149 . 0 0 "[ . 1 . 2]" 3
1282 1 21 PRO HB3 1 23 LEU MD1 2.793 . 3.768 2.646 2.493 2.760 . 0 0 "[ . 1 . 2]" 3
1283 1 21 PRO HB3 1 21 PRO HG3 2.471 . 3.234 2.293 2.275 2.313 . 0 0 "[ . 1 . 2]" 3
1284 1 21 PRO HB3 1 23 LEU QB 3.025 . 4.168 4.103 3.978 4.289 0.121 7 0 "[ . 1 . 2]" 3
1285 1 55 PRO HB2 1 55 PRO HD3 2.578 . 6.500 3.982 3.903 4.038 . 0 0 "[ . 1 . 2]" 3
1286 1 55 PRO HB2 1 55 PRO HD2 2.653 . 3.983 3.989 3.928 4.044 0.061 12 0 "[ . 1 . 2]" 3
1287 1 54 SER HA 1 55 PRO HB2 3.264 . 6.500 5.616 5.533 5.715 . 0 0 "[ . 1 . 2]" 3
1288 1 55 PRO HB2 1 56 CYS HA 3.964 . 5.928 4.472 3.947 4.755 . 0 0 "[ . 1 . 2]" 3
1289 1 88 GLU HB3 1 89 ASN HB3 3.021 . 4.462 4.471 3.929 4.562 0.100 11 0 "[ . 1 . 2]" 3
1290 1 55 PRO HB3 1 55 PRO HD2 2.721 . 6.500 3.878 3.870 3.895 . 0 0 "[ . 1 . 2]" 3
1291 1 30 PRO HB2 1 35 GLY HA3 2.822 . 4.617 3.853 3.246 4.725 0.108 7 0 "[ . 1 . 2]" 3
1292 1 69 ILE MD 1 70 HIS HB3 3.789 . 5.584 4.765 4.619 5.141 . 0 0 "[ . 1 . 2]" 3
1293 1 70 HIS HB3 1 73 TRP HD1 3.064 . 4.238 2.947 2.720 3.092 . 0 0 "[ . 1 . 2]" 3
1294 1 70 HIS HB3 1 70 HIS HD2 2.774 . 3.936 3.933 3.879 3.962 0.026 9 0 "[ . 1 . 2]" 3
1295 1 70 HIS HB2 1 73 TRP HD1 2.955 . 4.547 4.457 4.271 4.574 0.027 8 0 "[ . 1 . 2]" 3
1296 1 70 HIS HB2 1 70 HIS HD2 2.938 . 4.017 3.284 2.943 3.464 . 0 0 "[ . 1 . 2]" 3
1297 1 70 HIS HB3 1 73 TRP HZ2 3.824 . 5.652 4.585 4.458 4.704 . 0 0 "[ . 1 . 2]" 3
1298 1 70 HIS HB2 1 73 TRP HZ2 3.900 . 5.801 4.038 3.931 4.298 . 0 0 "[ . 1 . 2]" 3
1299 1 61 PHE QE 1 74 ARG HB3 3.671 . 5.355 5.374 5.225 5.477 0.122 19 0 "[ . 1 . 2]" 3
1300 1 12 PHE HZ 1 42 ARG HB2 2.772 . 4.133 3.863 3.564 4.166 0.033 12 0 "[ . 1 . 2]" 3
1301 1 12 PHE HZ 1 42 ARG HB3 2.651 . 3.530 2.234 1.963 2.600 . 0 0 "[ . 1 . 2]" 3
1302 1 61 PHE QD 1 74 ARG HB2 3.361 . 4.773 3.424 3.234 3.573 . 0 0 "[ . 1 . 2]" 3
1303 1 69 ILE HA 1 70 HIS HB3 3.842 . 5.687 5.109 4.947 5.237 . 0 0 "[ . 1 . 2]" 3
1304 1 87 GLU HB3 1 87 GLU HG3 2.404 . 3.126 2.418 2.362 2.448 . 0 0 "[ . 1 . 2]" 3
1305 1 21 PRO HB2 1 23 LEU MD1 3.671 . 5.355 1.931 1.900 1.968 0.087 7 0 "[ . 1 . 2]" 3
1306 1 21 PRO HB2 1 21 PRO HG3 2.797 . 3.775 2.719 2.685 2.759 . 0 0 "[ . 1 . 2]" 3
1307 1 21 PRO HB2 1 21 PRO HD3 3.532 . 5.091 3.880 3.864 3.905 . 0 0 "[ . 1 . 2]" 3
1308 1 74 ARG HB2 1 74 ARG HG3 2.244 . 2.874 2.236 2.219 2.289 . 0 0 "[ . 1 . 2]" 3
1309 1 74 ARG HB2 1 74 ARG HD2 2.781 . 3.748 2.871 2.670 2.956 . 0 0 "[ . 1 . 2]" 3
1310 1 74 ARG HB2 1 86 ASP HB3 3.880 . 5.761 4.100 3.948 4.278 . 0 0 "[ . 1 . 2]" 3
1311 1 74 ARG HA 1 74 ARG HB2 2.436 . 3.178 2.603 2.562 2.683 . 0 0 "[ . 1 . 2]" 3
1312 1 74 ARG HA 1 74 ARG HB3 2.361 . 3.058 2.999 2.978 3.012 . 0 0 "[ . 1 . 2]" 3
1313 1 79 PRO HA 1 79 PRO HB3 2.363 . 3.061 2.322 2.315 2.328 . 0 0 "[ . 1 . 2]" 3
1314 1 82 LYS HB3 1 82 LYS HE3 2.979 . 4.088 2.198 1.993 2.443 . 0 0 "[ . 1 . 2]" 3
1315 1 42 ARG HB2 1 42 ARG HD2 2.946 . 4.031 3.938 3.657 4.141 0.110 8 0 "[ . 1 . 2]" 3
1316 1 39 TRP HB3 1 42 ARG HB3 2.855 . 5.074 4.717 4.546 4.952 . 0 0 "[ . 1 . 2]" 3
1317 1 42 ARG HB2 1 42 ARG HD3 2.830 . 3.831 3.548 3.490 3.625 . 0 0 "[ . 1 . 2]" 3
1318 1 42 ARG HA 1 42 ARG HB3 2.511 . 3.299 2.563 2.493 2.640 . 0 0 "[ . 1 . 2]" 3
1319 1 42 ARG HB3 1 43 CYS HA 3.757 . 5.522 4.584 4.062 4.908 . 0 0 "[ . 1 . 2]" 3
1320 1 42 ARG HB3 1 42 ARG HG2 2.597 . 3.440 3.003 2.974 3.012 . 0 0 "[ . 1 . 2]" 3
1321 1 50 GLN HB3 1 50 GLN QG 1.863 . 2.297 2.371 2.297 2.469 0.172 16 0 "[ . 1 . 2]" 3
1322 1 50 GLN HB2 1 50 GLN QG 1.825 . 2.241 2.291 2.138 2.380 0.139 7 0 "[ . 1 . 2]" 3
1323 1 84 LYS QD 1 84 LYS QG 1.910 . 2.366 2.086 2.076 2.091 . 0 0 "[ . 1 . 2]" 3
1324 1 50 GLN HB3 1 51 GLY QA 3.276 . 4.618 4.078 3.531 4.640 0.022 16 0 "[ . 1 . 2]" 3
1325 1 50 GLN HB2 1 51 GLY QA 3.165 . 4.417 4.007 3.637 4.452 0.035 17 0 "[ . 1 . 2]" 3
1326 1 13 GLN HB2 1 19 CYS HA 3.384 . 4.815 4.058 3.326 4.247 . 0 0 "[ . 1 . 2]" 3
1327 1 13 GLN HB3 1 19 CYS HA 3.502 . 5.035 4.863 4.256 5.031 . 0 0 "[ . 1 . 2]" 3
1328 1 79 PRO HB3 1 79 PRO QD 2.921 . 3.988 3.077 3.009 3.128 . 0 0 "[ . 1 . 2]" 3
1329 1 30 PRO HB3 1 30 PRO HD3 2.908 . 3.965 4.037 3.997 4.050 0.085 16 0 "[ . 1 . 2]" 3
1330 1 79 PRO HB3 1 84 LYS QD 2.961 . 4.057 2.018 1.924 2.141 . 0 0 "[ . 1 . 2]" 3
1331 1 44 ARG QB 1 44 ARG QG 1.801 . 2.206 2.038 2.022 2.069 . 0 0 "[ . 1 . 2]" 3
1332 1 6 THR HB 1 13 GLN HB3 3.307 . 4.674 2.875 1.973 3.449 . 0 0 "[ . 1 . 2]" 3
1333 1 24 TRP HB3 1 24 TRP HD1 3.225 . 4.525 3.693 3.657 3.713 . 0 0 "[ . 1 . 2]" 3
1334 1 24 TRP HB2 1 24 TRP HE3 2.787 . 3.758 3.065 2.996 3.145 . 0 0 "[ . 1 . 2]" 3
1335 1 24 TRP HB2 1 24 TRP HD1 3.214 . 4.506 3.539 3.495 3.583 . 0 0 "[ . 1 . 2]" 3
1336 1 24 TRP HB3 1 24 TRP HE3 2.780 . 3.746 2.809 2.769 2.874 . 0 0 "[ . 1 . 2]" 3
1337 1 24 TRP HA 1 24 TRP HB2 2.520 . 3.314 3.022 3.014 3.028 . 0 0 "[ . 1 . 2]" 3
1338 1 24 TRP HB3 1 31 ASP HB2 3.170 . 4.426 2.750 2.502 3.100 . 0 0 "[ . 1 . 2]" 3
1339 1 24 TRP HB2 1 31 ASP HB2 3.068 . 4.244 4.211 4.044 4.372 0.128 6 0 "[ . 1 . 2]" 3
1340 1 20 ILE HB 1 24 TRP HB3 3.011 . 4.144 3.434 3.245 3.692 . 0 0 "[ . 1 . 2]" 3
1341 1 20 ILE HG12 1 24 TRP HB2 3.671 . 5.355 4.513 4.391 4.631 . 0 0 "[ . 1 . 2]" 3
1342 1 20 ILE HG12 1 24 TRP HB3 3.645 . 5.606 5.273 4.993 5.655 0.049 7 0 "[ . 1 . 2]" 3
1343 1 21 PRO HG2 1 24 TRP HB3 3.920 . 5.841 4.135 3.905 4.281 . 0 0 "[ . 1 . 2]" 3
1344 1 69 ILE HG12 1 73 TRP HB3 3.806 . 5.617 5.217 4.925 5.325 . 0 0 "[ . 1 . 2]" 3
1345 1 69 ILE HB 1 73 TRP HB3 3.031 . 4.180 3.434 2.965 3.690 . 0 0 "[ . 1 . 2]" 3
1346 1 70 HIS HB2 1 73 TRP HB3 4.120 . 6.242 5.884 5.659 6.257 0.015 20 0 "[ . 1 . 2]" 3
1347 1 73 TRP HB3 1 80 ASP HB2 3.189 . 4.460 3.117 2.644 3.581 . 0 0 "[ . 1 . 2]" 3
1348 1 73 TRP HB3 1 80 ASP HB3 3.361 . 4.773 3.628 3.339 3.907 . 0 0 "[ . 1 . 2]" 3
1349 1 69 ILE HA 1 73 TRP HB3 3.242 . 6.075 5.790 5.356 6.079 0.004 12 0 "[ . 1 . 2]" 3
1350 1 70 HIS HB2 1 73 TRP HB2 4.183 . 6.370 4.780 4.553 5.131 . 0 0 "[ . 1 . 2]" 3
1351 1 69 ILE HG12 1 73 TRP HB2 3.806 . 5.617 4.416 4.206 4.475 . 0 0 "[ . 1 . 2]" 3
1352 1 73 TRP HB3 1 73 TRP HD1 2.883 . 3.922 3.664 3.631 3.723 . 0 0 "[ . 1 . 2]" 3
1353 1 73 TRP HB3 1 73 TRP HE3 2.885 . 3.926 2.868 2.763 2.924 . 0 0 "[ . 1 . 2]" 3
1354 1 73 TRP HB2 1 73 TRP HD1 3.042 . 4.199 3.579 3.512 3.615 . 0 0 "[ . 1 . 2]" 3
1355 1 73 TRP HB2 1 73 TRP HE3 3.087 . 4.278 3.015 2.951 3.123 . 0 0 "[ . 1 . 2]" 3
1356 1 39 TRP HB2 1 42 ARG HG2 3.301 . 4.663 3.621 3.136 4.003 . 0 0 "[ . 1 . 2]" 3
1357 1 39 TRP HB3 1 42 ARG HG2 3.399 . 4.843 3.699 3.138 4.088 . 0 0 "[ . 1 . 2]" 3
1358 1 39 TRP HB2 1 42 ARG HG3 2.715 . 3.636 3.194 2.631 3.593 . 0 0 "[ . 1 . 2]" 3
1359 1 39 TRP HA 1 39 TRP HB2 2.728 . 3.658 2.972 2.936 2.987 . 0 0 "[ . 1 . 2]" 3
1360 1 39 TRP HB2 1 39 TRP HE3 2.770 . 3.729 3.000 2.903 3.053 . 0 0 "[ . 1 . 2]" 3
1361 1 39 TRP HB2 1 39 TRP HD1 2.952 . 4.041 3.580 3.548 3.639 . 0 0 "[ . 1 . 2]" 3
1362 1 39 TRP HB3 1 39 TRP HE3 2.911 . 3.970 2.880 2.809 2.955 . 0 0 "[ . 1 . 2]" 3
1363 1 39 TRP HB3 1 39 TRP HD1 3.095 . 4.292 3.652 3.607 3.694 . 0 0 "[ . 1 . 2]" 3
1364 1 39 TRP HB3 1 41 GLN HG2 3.552 . 5.129 2.329 2.067 2.441 . 0 0 "[ . 1 . 2]" 3
1365 1 85 SER HA 1 88 GLU HB3 2.499 . 6.500 3.474 3.400 3.580 . 0 0 "[ . 1 . 2]" 3
1366 1 84 LYS HB3 1 84 LYS QD 2.159 . 3.142 2.295 2.122 2.471 . 0 0 "[ . 1 . 2]" 3
1367 1 79 PRO HB2 1 84 LYS QD 2.088 . 3.933 3.296 3.068 3.467 . 0 0 "[ . 1 . 2]" 3
1368 1 7 CYS HB2 1 13 GLN HB2 3.042 . 4.199 2.787 1.994 3.342 . 0 0 "[ . 1 . 2]" 3
1369 1 13 GLN HB2 1 13 GLN HG3 2.355 . 3.048 2.322 2.213 2.428 . 0 0 "[ . 1 . 2]" 3
1370 1 7 CYS HB3 1 13 GLN HB2 3.264 . 4.596 4.365 3.577 4.824 0.228 9 0 "[ . 1 . 2]" 3
1371 1 87 GLU HB2 1 87 GLU HG3 2.160 . 2.743 2.429 2.397 2.488 . 0 0 "[ . 1 . 2]" 3
1372 1 13 GLN HB3 1 17 SER HA 3.391 . 6.500 5.920 5.262 6.131 . 0 0 "[ . 1 . 2]" 3
1373 1 65 SER HB3 1 82 LYS QD 2.908 . 4.115 3.942 3.362 4.198 0.083 1 0 "[ . 1 . 2]" 3
1374 1 82 LYS HA 1 82 LYS QD 2.485 . 4.107 3.892 3.616 4.101 . 0 0 "[ . 1 . 2]" 3
1375 1 84 LYS QD 1 88 GLU HA 4.091 . 6.183 4.939 4.535 5.507 . 0 0 "[ . 1 . 2]" 3
1376 1 67 GLU HA 1 67 GLU HB2 2.286 . 2.939 2.338 2.237 2.441 . 0 0 "[ . 1 . 2]" 3
1377 1 13 GLN HB3 1 13 GLN HG3 2.313 . 2.982 2.974 2.879 3.010 0.028 10 0 "[ . 1 . 2]" 3
1378 1 7 CYS HB2 1 13 GLN HB3 3.645 . 5.306 4.342 3.303 4.875 . 0 0 "[ . 1 . 2]" 3
1379 1 39 TRP HE3 1 41 GLN QB 3.361 . 4.973 4.973 4.637 5.120 0.147 1 0 "[ . 1 . 2]" 3
1380 1 72 SER HA 1 74 ARG HB2 4.120 . 6.242 5.384 5.235 5.555 . 0 0 "[ . 1 . 2]" 3
1381 1 38 GLU HB2 1 39 TRP HD1 3.920 . 5.841 4.089 3.799 4.444 . 0 0 "[ . 1 . 2]" 3
1382 1 70 HIS HB2 1 73 TRP HA 3.860 . 6.423 6.373 6.242 6.634 0.211 20 0 "[ . 1 . 2]" 3
1383 1 55 PRO HG2 1 62 HIS HB3 4.037 . 6.074 4.542 3.876 6.130 0.056 19 0 "[ . 1 . 2]" 3
1384 1 55 PRO HD2 1 62 HIS HB3 3.900 . 5.801 3.293 2.553 4.419 . 0 0 "[ . 1 . 2]" 3
1385 1 37 ASP HA 1 42 ARG HB3 3.532 . 5.091 3.836 3.509 4.357 . 0 0 "[ . 1 . 2]" 3
1386 1 37 ASP HA 1 42 ARG HB2 3.295 . 4.652 4.429 4.142 4.731 0.079 19 0 "[ . 1 . 2]" 3
1387 1 67 GLU HB3 1 67 GLU HG3 2.336 . 3.018 2.964 2.885 3.011 . 0 0 "[ . 1 . 2]" 3
1388 1 67 GLU HB3 1 69 ILE MG 3.276 . 4.618 4.172 3.826 4.724 0.106 16 0 "[ . 1 . 2]" 3
1389 1 61 PHE HA 1 62 HIS HB2 3.842 . 5.687 4.330 4.129 4.527 . 0 0 "[ . 1 . 2]" 3
1390 1 64 LEU MD2 1 64 LEU HG 2.120 . 2.682 2.105 2.085 2.126 . 0 0 "[ . 1 . 2]" 3
1391 1 64 LEU HG 1 85 SER HB3 2.352 . 6.500 4.707 3.639 5.899 . 0 0 "[ . 1 . 2]" 3
1392 1 64 LEU HA 1 64 LEU HG 2.251 . 2.885 2.573 2.462 2.784 . 0 0 "[ . 1 . 2]" 3
1393 1 39 TRP HD1 1 40 PRO HG2 3.474 . 6.500 5.657 5.359 5.790 . 0 0 "[ . 1 . 2]" 3
1394 1 21 PRO HA 1 21 PRO HG2 3.087 . 4.278 3.898 3.874 3.920 . 0 0 "[ . 1 . 2]" 3
1395 1 21 PRO HG2 1 24 TRP HE3 3.824 . 5.652 3.870 3.560 3.995 . 0 0 "[ . 1 . 2]" 3
1396 1 20 ILE HA 1 21 PRO HG3 3.008 . 6.500 4.508 4.471 4.566 . 0 0 "[ . 1 . 2]" 3
1397 1 11 SER HA 1 21 PRO HG3 3.987 . 5.974 6.032 5.844 6.139 0.165 19 0 "[ . 1 . 2]" 3
1398 1 21 PRO HG2 1 24 TRP HA 4.531 . 7.098 4.701 4.594 4.767 . 0 0 "[ . 1 . 2]" 3
1399 1 21 PRO HG3 1 23 LEU QB 3.465 . 4.966 4.405 4.131 4.808 . 0 0 "[ . 1 . 2]" 3
1400 1 21 PRO HG3 1 23 LEU MD1 2.848 . 3.862 3.764 3.690 3.890 0.028 4 0 "[ . 1 . 2]" 3
1401 1 21 PRO HG2 1 23 LEU QB 4.151 . 6.305 3.618 3.278 4.118 . 0 0 "[ . 1 . 2]" 3
1402 1 41 GLN QB 1 44 ARG QD 3.060 . 4.231 3.656 3.225 4.039 . 0 0 "[ . 1 . 2]" 3
1403 1 29 ASP HB3 1 30 PRO HG3 3.585 . 5.292 5.270 5.100 5.420 0.128 11 0 "[ . 1 . 2]" 3
1404 1 30 PRO HA 1 30 PRO HG3 2.696 . 3.605 3.163 3.039 3.362 . 0 0 "[ . 1 . 2]" 3
1405 1 30 PRO HG3 1 35 GLY HA3 3.095 . 4.292 4.024 3.798 4.349 0.057 7 0 "[ . 1 . 2]" 3
1406 1 29 ASP HA 1 30 PRO HG3 2.637 . 6.500 3.958 3.834 4.074 . 0 0 "[ . 1 . 2]" 3
1407 1 30 PRO HD2 1 30 PRO HG3 2.369 . 3.071 2.995 2.991 2.998 . 0 0 "[ . 1 . 2]" 3
1408 1 30 PRO HG3 1 35 GLY HA2 3.099 . 4.300 4.123 3.767 4.313 0.013 6 0 "[ . 1 . 2]" 3
1409 1 30 PRO HG3 1 38 GLU HG3 2.970 . 4.073 3.118 2.689 3.781 . 0 0 "[ . 1 . 2]" 3
1410 1 30 PRO HG3 1 38 GLU HB2 3.806 . 5.617 3.536 2.873 4.647 . 0 0 "[ . 1 . 2]" 3
1411 1 39 TRP HA 1 40 PRO HG3 2.677 . 6.500 4.149 4.069 4.188 . 0 0 "[ . 1 . 2]" 3
1412 1 29 ASP HA 1 30 PRO HG2 2.593 . 6.500 4.478 4.442 4.525 . 0 0 "[ . 1 . 2]" 3
1413 1 40 PRO HD2 1 40 PRO HG3 2.307 . 2.972 2.983 2.980 2.991 0.019 4 0 "[ . 1 . 2]" 3
1414 1 30 PRO HG2 1 35 GLY HA2 2.859 . 4.581 4.658 4.492 4.844 0.263 11 0 "[ . 1 . 2]" 3
1415 1 40 PRO HB3 1 40 PRO HG3 2.276 . 2.923 2.312 2.304 2.319 . 0 0 "[ . 1 . 2]" 3
1416 1 41 GLN QB 1 46 LEU MD2 3.502 . 5.035 4.846 4.232 5.124 0.089 4 0 "[ . 1 . 2]" 3
1417 1 79 PRO QD 1 79 PRO HG3 2.143 . 2.717 2.179 2.177 2.180 . 0 0 "[ . 1 . 2]" 3
1418 1 79 PRO HG3 1 84 LYS QE 3.295 . 4.652 3.286 2.970 3.614 . 0 0 "[ . 1 . 2]" 3
1419 1 79 PRO HG3 1 84 LYS QD 2.783 . 3.751 3.573 3.426 3.761 0.010 12 0 "[ . 1 . 2]" 3
1420 1 79 PRO HG3 1 84 LYS QG 2.852 . 6.500 4.269 4.137 4.658 . 0 0 "[ . 1 . 2]" 3
1421 1 12 PHE QD 1 22 GLN HB3 3.632 . 6.500 6.469 5.907 6.657 0.157 1 0 "[ . 1 . 2]" 3
1422 1 12 PHE HZ 1 42 ARG HG3 2.845 . 3.857 3.415 2.793 3.863 0.006 10 0 "[ . 1 . 2]" 3
1423 1 39 TRP HE3 1 42 ARG HG3 3.320 . 4.698 3.100 2.565 3.495 . 0 0 "[ . 1 . 2]" 3
1424 1 12 PHE HZ 1 42 ARG HG2 2.824 . 4.721 4.327 3.855 4.789 0.068 4 0 "[ . 1 . 2]" 3
1425 1 39 TRP HE3 1 42 ARG HG2 3.035 . 4.186 3.142 2.597 3.552 . 0 0 "[ . 1 . 2]" 3
1426 1 42 ARG HA 1 42 ARG HG3 2.643 . 6.500 3.704 3.644 3.767 . 0 0 "[ . 1 . 2]" 3
1427 1 37 ASP HA 1 42 ARG HG3 3.698 . 5.407 4.755 4.243 5.412 0.005 5 0 "[ . 1 . 2]" 3
1428 1 42 ARG HD3 1 42 ARG HG3 2.603 . 3.450 2.868 2.695 2.993 . 0 0 "[ . 1 . 2]" 3
1429 1 36 SER HB3 1 42 ARG HG3 3.727 . 5.463 2.682 2.331 2.962 . 0 0 "[ . 1 . 2]" 3
1430 1 55 PRO HG3 1 56 CYS HA 4.012 . 6.324 6.191 5.636 6.462 0.138 17 0 "[ . 1 . 2]" 3
1431 1 23 LEU HG 1 24 TRP HD1 2.763 . 6.500 5.399 5.309 5.654 . 0 0 "[ . 1 . 2]" 3
1432 1 55 PRO HG3 1 62 HIS HE1 3.742 . 5.492 2.874 2.229 4.536 . 0 0 "[ . 1 . 2]" 3
1433 1 55 PRO HG2 1 62 HIS HE1 3.684 . 5.381 3.967 2.980 4.930 . 0 0 "[ . 1 . 2]" 3
1434 1 11 SER HA 1 22 GLN HB2 2.921 . 3.988 3.259 3.024 3.508 . 0 0 "[ . 1 . 2]" 3
1435 1 10 ALA HA 1 22 GLN HB2 2.927 . 3.998 3.180 2.931 3.852 . 0 0 "[ . 1 . 2]" 3
1436 1 22 GLN HA 1 22 GLN HB2 2.299 . 2.960 2.447 2.415 2.473 . 0 0 "[ . 1 . 2]" 3
1437 1 22 GLN HA 1 22 GLN HB3 2.252 . 2.886 3.020 3.019 3.022 0.136 7 0 "[ . 1 . 2]" 3
1438 1 12 PHE QB 1 22 GLN HB2 3.079 . 4.264 3.537 2.684 3.761 . 0 0 "[ . 1 . 2]" 3
1439 1 12 PHE QB 1 22 GLN HB3 3.021 . 4.662 4.598 4.090 4.770 0.108 14 0 "[ . 1 . 2]" 3
1440 1 22 GLN HB3 1 22 GLN HG3 2.111 . 3.018 2.973 2.845 3.004 . 0 0 "[ . 1 . 2]" 3
1441 1 22 GLN HB2 1 22 GLN HG2 2.147 . 3.023 2.976 2.850 3.006 . 0 0 "[ . 1 . 2]" 3
1442 1 10 ALA MB 1 22 GLN HB3 3.046 . 6.500 4.123 3.922 4.378 . 0 0 "[ . 1 . 2]" 3
1443 1 22 GLN HB3 1 23 LEU MD1 2.949 . 4.036 3.060 2.932 3.219 . 0 0 "[ . 1 . 2]" 3
1444 1 11 SER QB 1 22 GLN HB2 3.658 . 5.330 4.726 4.439 4.867 . 0 0 "[ . 1 . 2]" 3
1445 1 21 PRO HA 1 22 GLN HB3 3.189 . 4.760 4.728 4.608 4.789 0.029 7 0 "[ . 1 . 2]" 3
1446 1 21 PRO HB2 1 23 LEU HG 3.596 . 5.213 4.413 4.355 4.555 . 0 0 "[ . 1 . 2]" 3
1447 1 5 LEU HA 1 5 LEU HG 2.417 . 3.147 2.749 2.612 3.135 . 0 0 "[ . 1 . 2]" 3
1448 1 46 LEU HA 1 46 LEU HG 2.373 . 6.500 3.714 3.654 3.747 . 0 0 "[ . 1 . 2]" 3
1449 1 79 PRO HG2 1 84 LYS QG 2.701 . 5.213 4.642 4.414 5.066 . 0 0 "[ . 1 . 2]" 3
1450 1 79 PRO HG2 1 84 LYS QD 2.653 . 4.683 4.634 4.484 4.797 0.114 15 0 "[ . 1 . 2]" 3
1451 1 79 PRO QD 1 79 PRO HG2 2.093 . 2.640 2.196 2.189 2.205 . 0 0 "[ . 1 . 2]" 3
1452 1 79 PRO HA 1 79 PRO HG2 2.473 . 3.987 3.888 3.869 3.909 . 0 0 "[ . 1 . 2]" 3
1453 1 3 PRO HA 1 3 PRO QG 2.446 . 3.344 3.489 3.487 3.493 0.149 19 0 "[ . 1 . 2]" 3
1454 1 2 SER HA 1 3 PRO QG 2.579 . 6.500 4.066 4.052 4.081 . 0 0 "[ . 1 . 2]" 3
1455 1 9 PRO QD 1 9 PRO QG 1.744 . 2.124 1.971 1.967 1.975 . 0 0 "[ . 1 . 2]" 3
1456 1 9 PRO HA 1 9 PRO QG 2.087 . 3.331 3.491 3.480 3.499 0.168 20 0 "[ . 1 . 2]" 3
1457 1 41 GLN QB 1 42 ARG HG2 2.916 . 3.979 3.807 3.413 4.140 0.161 19 0 "[ . 1 . 2]" 3
1458 1 54 SER HA 1 55 PRO HG2 2.698 . 6.500 4.685 4.585 4.884 . 0 0 "[ . 1 . 2]" 3
1459 1 55 PRO HD3 1 55 PRO HG2 2.329 . 3.007 2.955 2.925 2.987 . 0 0 "[ . 1 . 2]" 3
1460 1 55 PRO HB3 1 55 PRO HG2 2.193 . 2.794 2.986 2.977 2.990 0.196 3 0 "[ . 1 . 2]" 3
1461 1 55 PRO HG2 1 56 CYS HA 4.037 . 6.074 4.657 4.005 4.979 . 0 0 "[ . 1 . 2]" 3
1462 1 36 SER HB3 1 42 ARG HG2 3.608 . 5.235 4.061 3.589 4.479 . 0 0 "[ . 1 . 2]" 3
1463 1 74 ARG HA 1 74 ARG HG2 2.459 . 3.215 2.374 2.335 2.460 . 0 0 "[ . 1 . 2]" 3
1464 1 74 ARG HG2 1 86 ASP HB2 3.236 . 4.545 2.243 2.103 2.344 . 0 0 "[ . 1 . 2]" 3
1465 1 74 ARG HB3 1 74 ARG HG3 2.195 . 2.797 2.916 2.889 2.967 0.170 19 0 "[ . 1 . 2]" 3
1466 1 74 ARG HD3 1 74 ARG HG3 2.381 . 3.090 2.990 2.956 3.003 . 0 0 "[ . 1 . 2]" 3
1467 1 74 ARG HA 1 74 ARG HG3 2.465 . 6.500 2.951 2.757 3.035 . 0 0 "[ . 1 . 2]" 3
1468 1 61 PHE QE 1 74 ARG HG2 3.987 . 5.974 3.926 3.832 4.060 . 0 0 "[ . 1 . 2]" 3
1469 1 61 PHE QD 1 74 ARG HG2 3.361 . 4.773 4.226 4.143 4.387 . 0 0 "[ . 1 . 2]" 3
1470 1 61 PHE QE 1 74 ARG HG3 3.585 . 5.192 3.066 2.974 3.137 . 0 0 "[ . 1 . 2]" 3
1471 1 46 LEU HG 1 47 TYR QE 3.900 . 6.500 6.602 6.380 6.809 0.309 12 0 "[ . 1 . 2]" 3
1472 1 4 VAL HA 1 5 LEU HG 3.376 . 4.801 4.520 3.123 4.861 0.060 8 0 "[ . 1 . 2]" 3
1473 1 43 CYS HA 1 46 LEU HG 3.563 . 5.150 4.012 3.188 4.628 . 0 0 "[ . 1 . 2]" 3
1474 1 69 ILE HG13 1 73 TRP HB2 3.431 . 4.902 3.701 3.468 3.768 . 0 0 "[ . 1 . 2]" 3
1475 1 69 ILE HB 1 69 ILE HG13 2.627 . 3.540 2.728 2.695 2.747 . 0 0 "[ . 1 . 2]" 3
1476 1 61 PHE HA 1 69 ILE HG13 3.563 . 5.150 4.851 4.684 5.041 . 0 0 "[ . 1 . 2]" 3
1477 1 69 ILE HG13 1 73 TRP HB3 3.087 . 4.978 5.018 4.748 5.096 0.118 16 0 "[ . 1 . 2]" 3
1478 1 69 ILE HG13 1 73 TRP HE3 3.552 . 5.129 4.580 4.465 4.623 . 0 0 "[ . 1 . 2]" 3
1479 1 61 PHE QD 1 69 ILE HG13 2.592 . 3.432 2.254 2.063 2.469 . 0 0 "[ . 1 . 2]" 3
1480 1 12 PHE QB 1 20 ILE HG12 2.616 . 3.722 3.639 3.381 3.813 0.091 20 0 "[ . 1 . 2]" 3
1481 1 12 PHE HA 1 20 ILE HG12 3.698 . 5.707 5.568 5.260 5.713 0.006 20 0 "[ . 1 . 2]" 3
1482 1 12 PHE QD 1 20 ILE HG12 2.615 . 3.470 2.761 2.356 3.219 . 0 0 "[ . 1 . 2]" 3
1483 1 61 PHE QE 1 69 ILE HG12 3.194 . 4.469 4.098 3.885 4.309 . 0 0 "[ . 1 . 2]" 3
1484 1 61 PHE QD 1 69 ILE HG12 2.478 . 3.246 2.752 2.564 2.911 . 0 0 "[ . 1 . 2]" 3
1485 1 12 PHE QD 1 20 ILE HG13 2.774 . 3.736 2.506 2.184 2.878 . 0 0 "[ . 1 . 2]" 3
1486 1 19 CYS HA 1 20 ILE HG13 3.920 . 5.841 4.838 4.605 5.218 . 0 0 "[ . 1 . 2]" 3
1487 1 82 LYS HA 1 82 LYS HG3 2.487 . 6.500 3.351 3.082 3.524 . 0 0 "[ . 1 . 2]" 3
1488 1 82 LYS HA 1 82 LYS HG2 2.512 . 3.301 2.576 2.469 2.666 . 0 0 "[ . 1 . 2]" 3
1489 1 82 LYS HE2 1 82 LYS HG3 2.718 . 4.342 2.524 2.355 2.675 . 0 0 "[ . 1 . 2]" 3
1490 1 82 LYS HG3 1 83 ASP HB2 3.860 . 6.073 6.043 5.732 6.140 0.067 13 0 "[ . 1 . 2]" 3
1491 1 65 SER HB2 1 82 LYS HG3 3.439 . 5.218 5.167 4.567 5.440 0.222 17 0 "[ . 1 . 2]" 3
1492 1 69 ILE HB 1 69 ILE HG12 2.653 . 3.533 2.948 2.937 2.965 . 0 0 "[ . 1 . 2]" 3
1493 1 84 LYS HB3 1 84 LYS QG 2.078 . 2.618 2.399 2.324 2.451 . 0 0 "[ . 1 . 2]" 3
1494 1 84 LYS HB2 1 84 LYS QG 2.032 . 2.548 2.284 2.224 2.361 . 0 0 "[ . 1 . 2]" 3
1495 1 21 PRO HB3 1 23 LEU MD2 2.717 . 4.789 4.831 4.716 4.958 0.169 19 0 "[ . 1 . 2]" 3
1496 1 5 LEU MD2 1 5 LEU HG 1.783 . 2.180 2.105 2.095 2.128 . 0 0 "[ . 1 . 2]" 3
1497 1 64 LEU HB3 1 64 LEU MD2 1.893 . 6.500 2.446 2.266 2.538 . 0 0 "[ . 1 . 2]" 3
1498 1 64 LEU MD2 1 83 ASP HB3 2.970 . 4.373 4.089 3.558 4.542 0.169 15 0 "[ . 1 . 2]" 3
1499 1 64 LEU MD2 1 85 SER HB3 1.909 . 3.865 2.874 1.944 3.939 0.074 20 0 "[ . 1 . 2]" 3
1500 1 64 LEU MD2 1 85 SER HA 1.976 . 6.500 3.623 2.851 4.107 . 0 0 "[ . 1 . 2]" 3
1501 1 61 PHE QE 1 64 LEU MD2 3.129 . 6.500 6.257 5.910 6.535 0.035 19 0 "[ . 1 . 2]" 3
1502 1 61 PHE HZ 1 64 LEU MD2 2.772 . 6.500 5.935 5.507 6.197 . 0 0 "[ . 1 . 2]" 3
1503 1 46 LEU MD2 1 47 TYR QD 2.589 . 3.927 3.884 3.515 4.186 0.259 7 0 "[ . 1 . 2]" 3
1504 1 46 LEU MD2 1 47 TYR QE 2.985 . 4.599 4.411 4.033 4.691 0.092 7 0 "[ . 1 . 2]" 3
1505 1 23 LEU MD2 1 24 TRP HD1 2.684 . 6.500 4.199 3.848 4.659 . 0 0 "[ . 1 . 2]" 3
1506 1 23 LEU QB 1 23 LEU MD2 1.806 . 2.214 1.964 1.922 2.097 . 0 0 "[ . 1 . 2]" 3
1507 1 23 LEU MD2 1 24 TRP HA 3.276 . 6.500 5.669 5.484 6.150 . 0 0 "[ . 1 . 2]" 3
1508 1 44 ARG QB 1 46 LEU MD2 2.721 . 3.647 3.317 2.696 3.717 0.070 3 0 "[ . 1 . 2]" 3
1509 1 43 CYS HB2 1 46 LEU MD2 2.839 . 6.500 4.579 4.075 5.304 . 0 0 "[ . 1 . 2]" 3
1510 1 43 CYS HA 1 46 LEU MD2 2.533 . 3.335 2.978 2.340 3.723 0.388 20 0 "[ . 1 . 2]" 3
1511 1 42 ARG HA 1 46 LEU MD2 2.718 . 3.642 2.432 1.931 3.369 . 0 0 "[ . 1 . 2]" 3
1512 1 46 LEU HA 1 46 LEU MD2 2.064 . 6.500 2.984 2.712 3.116 . 0 0 "[ . 1 . 2]" 3
1513 1 45 GLY QA 1 46 LEU MD2 2.657 . 3.539 3.075 2.841 3.453 . 0 0 "[ . 1 . 2]" 3
1514 1 42 ARG HD3 1 46 LEU MD2 3.347 . 4.748 3.804 3.002 4.423 . 0 0 "[ . 1 . 2]" 3
1515 1 42 ARG HD2 1 46 LEU MD2 3.773 . 5.553 5.227 4.516 5.721 0.168 19 0 "[ . 1 . 2]" 3
1516 1 23 LEU MD1 1 24 TRP HA 3.361 . 6.500 5.539 5.305 5.677 . 0 0 "[ . 1 . 2]" 3
1517 1 20 ILE HA 1 23 LEU MD1 3.347 . 6.500 6.632 6.524 6.687 0.187 1 0 "[ . 1 . 2]" 3
1518 1 22 GLN HA 1 23 LEU MD1 3.282 . 4.629 4.457 3.900 4.679 0.050 19 0 "[ . 1 . 2]" 3
1519 1 21 PRO HD3 1 23 LEU MD1 3.376 . 5.001 5.079 5.041 5.122 0.121 18 0 "[ . 1 . 2]" 3
1520 1 22 GLN HG2 1 23 LEU MD1 2.614 . 6.500 4.661 4.440 4.962 . 0 0 "[ . 1 . 2]" 3
1521 1 23 LEU MD1 1 23 LEU HG 1.782 . 2.179 2.109 2.092 2.123 . 0 0 "[ . 1 . 2]" 3
1522 1 23 LEU QB 1 23 LEU MD1 1.827 . 2.244 2.050 1.969 2.133 . 0 0 "[ . 1 . 2]" 3
1523 1 23 LEU MD1 1 24 TRP HD1 2.639 . 6.500 4.066 3.745 4.235 . 0 0 "[ . 1 . 2]" 3
1524 1 43 CYS HA 1 46 LEU MD1 3.170 . 5.276 4.993 4.506 5.360 0.084 5 0 "[ . 1 . 2]" 3
1525 1 46 LEU HA 1 46 LEU MD1 1.802 . 2.208 2.043 1.900 2.177 . 0 0 "[ . 1 . 2]" 3
1526 1 46 LEU MD1 1 47 TYR QE 2.938 . 6.500 6.507 6.341 6.668 0.168 13 0 "[ . 1 . 2]" 3
1527 1 61 PHE HZ 1 64 LEU MD1 2.695 . 4.403 4.080 3.643 4.450 0.047 20 0 "[ . 1 . 2]" 3
1528 1 61 PHE QE 1 64 LEU MD1 3.236 . 4.545 4.574 4.156 4.949 0.404 20 0 "[ . 1 . 2]" 3
1529 1 63 CYS HA 1 64 LEU MD1 1.777 . 6.500 3.256 2.818 3.459 . 0 0 "[ . 1 . 2]" 3
1530 1 42 ARG HA 1 46 LEU MD1 2.756 . 4.505 3.800 3.112 4.596 0.091 20 0 "[ . 1 . 2]" 3
1531 1 42 ARG HD3 1 46 LEU MD1 2.932 . 4.307 3.541 2.560 4.565 0.258 19 0 "[ . 1 . 2]" 3
1532 1 64 LEU MD1 1 64 LEU HG 1.771 . 2.163 2.111 2.084 2.128 . 0 0 "[ . 1 . 2]" 3
1533 1 64 LEU HA 1 64 LEU MD1 1.662 . 6.500 2.259 2.020 2.486 . 0 0 "[ . 1 . 2]" 3
1534 1 18 THR MG 1 20 ILE HB 3.880 . 5.761 5.107 4.600 5.495 . 0 0 "[ . 1 . 2]" 3
1535 1 18 THR MG 1 19 CYS HB2 3.064 . 4.738 4.548 4.275 4.795 0.057 12 0 "[ . 1 . 2]" 3
1536 1 18 THR MG 1 33 GLU HG2 3.242 . 4.555 3.345 1.982 4.363 . 0 0 "[ . 1 . 2]" 3
1537 1 18 THR MG 1 33 GLU HB3 3.789 . 5.584 5.021 3.479 5.656 0.072 11 0 "[ . 1 . 2]" 3
1538 1 18 THR MG 1 32 CYS HA 2.783 . 3.751 2.943 1.967 3.742 . 0 0 "[ . 1 . 2]" 3
1539 1 18 THR HB 1 18 THR MG 1.627 . 1.958 2.090 2.071 2.116 0.158 14 0 "[ . 1 . 2]" 3
1540 1 16 SER HB2 1 18 THR MG 3.242 . 6.500 6.166 4.512 6.529 0.029 14 0 "[ . 1 . 2]" 3
1541 1 18 THR MG 1 32 CYS HB3 3.340 . 4.735 4.060 3.112 4.630 . 0 0 "[ . 1 . 2]" 3
1542 1 14 CYS HB3 1 18 THR MG 2.861 . 5.234 4.550 3.179 5.013 . 0 0 "[ . 1 . 2]" 3
1543 1 14 CYS HB2 1 18 THR MG 2.461 . 4.018 3.641 1.871 4.125 0.107 7 0 "[ . 1 . 2]" 3
1544 1 18 THR MG 1 19 CYS HA 3.057 . 4.225 3.830 3.233 4.172 . 0 0 "[ . 1 . 2]" 3
1545 1 6 THR HA 1 6 THR MG 1.766 . 2.156 2.122 2.024 2.210 0.054 19 0 "[ . 1 . 2]" 3
1546 1 6 THR MG 1 7 CYS HB3 3.247 . 5.965 5.981 5.848 6.113 0.148 2 0 "[ . 1 . 2]" 3
1547 1 6 THR MG 1 42 ARG HD3 3.189 . 6.500 4.695 4.167 6.581 0.081 12 0 "[ . 1 . 2]" 3
1548 1 3 PRO QG 1 6 THR MG 2.893 . 3.939 2.197 2.018 2.423 . 0 0 "[ . 1 . 2]" 3
1549 1 6 THR MG 1 12 PHE HZ 3.806 . 5.617 4.372 3.624 5.650 0.033 7 0 "[ . 1 . 2]" 3
1550 1 6 THR MG 1 12 PHE QE 3.384 . 4.815 3.239 2.362 4.572 . 0 0 "[ . 1 . 2]" 3
1551 1 6 THR MG 1 13 GLN HA 2.967 . 4.367 4.247 3.969 4.498 0.131 20 0 "[ . 1 . 2]" 3
1552 1 94 THR HB 1 94 THR MG 2.097 . 2.646 2.097 2.073 2.118 . 0 0 "[ . 1 . 2]" 3
1553 1 2 SER HB3 1 6 THR MG 3.133 . 4.360 3.853 3.577 4.374 0.014 3 0 "[ . 1 . 2]" 3
1554 1 6 THR MG 1 12 PHE QB 3.120 . 5.537 4.718 4.228 5.228 . 0 0 "[ . 1 . 2]" 3
1555 1 4 VAL MG2 1 6 THR MG 2.536 . 3.340 2.539 2.115 2.973 . 0 0 "[ . 1 . 2]" 3
1556 1 75 CYS HB2 1 92 VAL MG2 3.046 . 5.505 5.228 4.506 5.853 0.348 11 0 "[ . 1 . 2]" 3
1557 1 92 VAL HA 1 92 VAL MG2 1.867 . 3.003 2.746 2.286 3.190 0.187 18 0 "[ . 1 . 2]" 3
1558 1 90 CYS HB2 1 92 VAL MG2 3.423 . 6.496 5.412 3.952 6.604 0.108 5 0 "[ . 1 . 2]" 3
1559 1 3 PRO HB3 1 4 VAL MG2 3.384 . 4.815 4.300 4.175 4.457 . 0 0 "[ . 1 . 2]" 3
1560 1 75 CYS HB3 1 92 VAL MG2 4.012 . 6.024 4.620 3.157 5.938 . 0 0 "[ . 1 . 2]" 3
1561 1 48 VAL HA 1 48 VAL MG2 1.902 . 2.354 2.392 2.330 2.441 0.087 20 0 "[ . 1 . 2]" 3
1562 1 48 VAL HB 1 48 VAL MG2 1.741 . 2.120 2.105 2.088 2.128 0.008 15 0 "[ . 1 . 2]" 3
1563 1 4 VAL HA 1 4 VAL MG1 1.903 . 2.356 2.299 2.280 2.330 . 0 0 "[ . 1 . 2]" 3
1564 1 75 CYS HA 1 92 VAL MG1 3.301 . 4.663 3.685 2.449 4.889 0.226 14 0 "[ . 1 . 2]" 3
1565 1 48 VAL MG1 1 49 PHE HA 2.557 . 6.274 4.318 3.478 5.312 . 0 0 "[ . 1 . 2]" 3
1566 1 48 VAL HA 1 48 VAL MG1 1.885 . 2.329 2.270 2.172 2.366 0.037 16 0 "[ . 1 . 2]" 3
1567 1 90 CYS HB2 1 92 VAL MG1 3.035 . 4.186 3.882 3.357 4.436 0.250 14 0 "[ . 1 . 2]" 3
1568 1 48 VAL HB 1 48 VAL MG1 1.780 . 2.176 2.104 2.088 2.129 . 0 0 "[ . 1 . 2]" 3
1569 1 75 CYS HB3 1 92 VAL MG1 3.727 . 5.463 3.262 2.366 4.364 . 0 0 "[ . 1 . 2]" 3
1570 1 75 CYS HB2 1 92 VAL MG1 2.600 . 3.945 3.855 2.522 4.300 0.355 18 0 "[ . 1 . 2]" 3
1571 1 3 PRO HB3 1 4 VAL MG1 3.282 . 4.629 4.077 4.032 4.168 . 0 0 "[ . 1 . 2]" 3
1572 1 90 CYS HB2 1 91 ALA MB 3.314 . 5.437 5.256 4.909 5.521 0.084 10 0 "[ . 1 . 2]" 3
1573 1 58 ALA MB 1 59 PHE HA 2.655 . 6.500 3.941 3.794 4.175 . 0 0 "[ . 1 . 2]" 3
1574 1 57 SER HB3 1 58 ALA MB 2.723 . 3.950 3.977 3.882 4.160 0.210 5 0 "[ . 1 . 2]" 3
1575 1 58 ALA MB 1 59 PHE HB3 3.124 . 6.500 5.139 5.019 5.486 . 0 0 "[ . 1 . 2]" 3
1576 1 58 ALA MB 1 59 PHE HB2 2.961 . 6.500 4.796 4.721 5.051 . 0 0 "[ . 1 . 2]" 3
1577 1 58 ALA MB 1 59 PHE QE 2.668 . 3.558 3.252 2.728 3.610 0.052 17 0 "[ . 1 . 2]" 3
1578 1 58 ALA MB 1 59 PHE QD 2.549 . 3.361 3.255 2.908 3.394 0.033 12 0 "[ . 1 . 2]" 3
1579 1 12 PHE HA 1 25 ALA MB 2.574 . 6.500 4.368 4.116 5.118 . 0 0 "[ . 1 . 2]" 3
1580 1 25 ALA MB 1 37 ASP HA 2.373 . 3.627 3.609 2.919 3.872 0.245 10 0 "[ . 1 . 2]" 3
1581 1 25 ALA HA 1 25 ALA MB 1.854 . 2.284 2.108 2.094 2.128 . 0 0 "[ . 1 . 2]" 3
1582 1 25 ALA MB 1 26 CYS HB2 2.582 . 3.815 3.675 3.285 3.924 0.109 17 0 "[ . 1 . 2]" 3
1583 1 12 PHE QB 1 25 ALA MB 2.180 . 2.774 2.125 1.840 2.841 0.067 7 0 "[ . 1 . 2]" 3
1584 1 20 ILE HG12 1 25 ALA MB 2.768 . 4.676 4.497 4.216 4.752 0.076 12 0 "[ . 1 . 2]" 3
1585 1 12 PHE QD 1 25 ALA MB 2.090 . 2.636 2.431 2.147 2.648 0.012 2 0 "[ . 1 . 2]" 3
1586 1 24 TRP HD1 1 25 ALA MB 3.860 . 6.093 6.105 6.059 6.181 0.088 4 0 "[ . 1 . 2]" 3
1587 1 25 ALA MB 1 37 ASP HB3 2.296 . 6.500 4.253 3.866 4.673 . 0 0 "[ . 1 . 2]" 3
1588 1 10 ALA MB 1 23 LEU MD1 3.031 . 4.180 4.052 3.652 4.280 0.100 1 0 "[ . 1 . 2]" 3
1589 1 10 ALA MB 1 21 PRO HB2 3.987 . 6.174 5.849 5.401 6.162 . 0 0 "[ . 1 . 2]" 3
1590 1 9 PRO HB3 1 10 ALA MB 2.383 . 6.500 4.860 4.556 5.244 . 0 0 "[ . 1 . 2]" 3
1591 1 10 ALA MB 1 21 PRO HD3 2.456 . 6.500 4.299 4.075 4.548 . 0 0 "[ . 1 . 2]" 3
1592 1 10 ALA MB 1 11 SER HA 2.979 . 6.500 4.212 3.852 4.359 . 0 0 "[ . 1 . 2]" 3
1593 1 10 ALA MB 1 21 PRO HA 2.930 . 4.753 4.832 4.392 4.984 0.231 1 0 "[ . 1 . 2]" 3
1594 1 10 ALA MB 1 22 GLN HA 3.431 . 6.500 6.044 5.805 6.203 . 0 0 "[ . 1 . 2]" 3
1595 1 10 ALA MB 1 11 SER QB 2.501 . 6.500 4.505 3.983 4.766 . 0 0 "[ . 1 . 2]" 3
1596 1 19 CYS HA 1 20 ILE MG 2.964 . 4.062 3.623 3.487 3.782 . 0 0 "[ . 1 . 2]" 3
1597 1 20 ILE HA 1 20 ILE MG 1.909 . 2.364 2.318 2.250 2.381 0.017 12 0 "[ . 1 . 2]" 3
1598 1 20 ILE HB 1 20 ILE MG 1.893 . 2.341 2.118 2.091 2.124 . 0 0 "[ . 1 . 2]" 3
1599 1 20 ILE HG13 1 20 ILE MG 2.197 . 3.000 3.180 3.163 3.197 0.197 12 0 "[ . 1 . 2]" 3
1600 1 18 THR MG 1 20 ILE MG 1.834 . 3.354 2.515 2.120 2.757 . 0 0 "[ . 1 . 2]" 3
1601 1 20 ILE MG 1 24 TRP HE3 2.122 . 2.685 2.468 1.946 2.706 0.021 12 0 "[ . 1 . 2]" 3
1602 1 12 PHE QD 1 20 ILE MG 2.488 . 6.500 4.486 4.159 4.828 . 0 0 "[ . 1 . 2]" 3
1603 1 20 ILE MG 1 24 TRP HD1 3.632 . 6.500 6.468 6.174 6.603 0.103 4 0 "[ . 1 . 2]" 3
1604 1 20 ILE MG 1 32 CYS HA 2.318 . 2.990 2.875 2.435 3.030 0.040 12 0 "[ . 1 . 2]" 3
1605 1 20 ILE MG 1 24 TRP HB3 2.710 . 6.500 4.056 3.898 4.251 . 0 0 "[ . 1 . 2]" 3
1606 1 20 ILE MG 1 21 PRO HG2 2.998 . 6.500 4.780 4.668 4.935 . 0 0 "[ . 1 . 2]" 3
1607 1 20 ILE MG 1 32 CYS HB3 3.120 . 5.637 4.363 4.135 4.606 . 0 0 "[ . 1 . 2]" 3
1608 1 20 ILE MG 1 37 ASP HB2 2.756 . 6.500 5.284 4.710 5.618 . 0 0 "[ . 1 . 2]" 3
1609 1 68 CYS HA 1 69 ILE MG 3.004 . 6.500 3.765 3.676 3.970 . 0 0 "[ . 1 . 2]" 3
1610 1 69 ILE HA 1 69 ILE MG 1.787 . 2.186 2.225 2.188 2.266 0.080 1 0 "[ . 1 . 2]" 3
1611 1 69 ILE MG 1 73 TRP HB3 2.634 . 4.291 4.193 3.715 4.369 0.078 7 0 "[ . 1 . 2]" 3
1612 1 69 ILE MG 1 73 TRP HB2 2.822 . 4.157 4.013 3.700 4.144 . 0 0 "[ . 1 . 2]" 3
1613 1 69 ILE MG 1 80 ASP HB2 2.318 . 4.029 3.391 2.870 3.813 . 0 0 "[ . 1 . 2]" 3
1614 1 67 GLU HG2 1 69 ILE MG 2.235 . 2.859 2.416 2.118 2.734 . 0 0 "[ . 1 . 2]" 3
1615 1 69 ILE HB 1 69 ILE MG 1.842 . 2.266 2.115 2.106 2.123 . 0 0 "[ . 1 . 2]" 3
1616 1 69 ILE HG13 1 69 ILE MG 2.204 . 6.500 3.076 3.056 3.102 . 0 0 "[ . 1 . 2]" 3
1617 1 69 ILE HG12 1 69 ILE MG 2.132 . 2.700 2.076 2.027 2.123 . 0 0 "[ . 1 . 2]" 3
1618 1 69 ILE MG 1 86 ASP HB3 2.961 . 6.500 5.827 5.669 5.953 . 0 0 "[ . 1 . 2]" 3
1619 1 69 ILE MG 1 80 ASP HB3 2.373 . 3.077 2.703 2.010 3.140 0.063 10 0 "[ . 1 . 2]" 3
1620 1 69 ILE MG 1 73 TRP HE3 2.329 . 3.007 2.378 1.959 2.571 . 0 0 "[ . 1 . 2]" 3
1621 1 69 ILE MG 1 73 TRP HZ3 2.287 . 2.941 2.845 2.452 3.007 0.066 16 0 "[ . 1 . 2]" 3
1622 1 67 GLU HB2 1 69 ILE MG 2.631 . 4.947 4.758 4.241 5.052 0.105 7 0 "[ . 1 . 2]" 3
1623 1 69 ILE MD 1 73 TRP HA 2.664 . 6.500 4.005 3.886 4.097 . 0 0 "[ . 1 . 2]" 3
1624 1 69 ILE MD 1 73 TRP HB3 2.043 . 2.565 2.539 2.408 2.598 0.033 1 0 "[ . 1 . 2]" 3
1625 1 69 ILE MD 1 73 TRP HB2 2.128 . 2.694 1.914 1.877 1.962 . 0 0 "[ . 1 . 2]" 3
1626 1 69 ILE MD 1 86 ASP HB3 2.192 . 2.792 2.848 2.782 2.899 0.107 6 0 "[ . 1 . 2]" 3
1627 1 69 ILE MD 1 80 ASP HB3 2.172 . 3.062 3.195 3.110 3.348 0.286 7 0 "[ . 1 . 2]" 3
1628 1 69 ILE MD 1 80 ASP HB2 1.985 . 2.677 2.532 2.354 2.742 0.065 14 0 "[ . 1 . 2]" 3
1629 1 69 ILE HB 1 69 ILE MD 1.999 . 2.499 2.204 2.177 2.248 . 0 0 "[ . 1 . 2]" 3
1630 1 69 ILE MD 1 74 ARG HD2 2.880 . 5.467 5.600 5.387 5.687 0.220 2 0 "[ . 1 . 2]" 3
1631 1 69 ILE MD 1 69 ILE HG13 1.996 . 2.494 2.101 2.092 2.111 . 0 0 "[ . 1 . 2]" 3
1632 1 69 ILE MD 1 69 ILE HG12 1.950 . 2.425 2.099 2.087 2.107 . 0 0 "[ . 1 . 2]" 3
1633 1 69 ILE MD 1 73 TRP HE3 2.297 . 6.500 2.882 2.556 3.038 . 0 0 "[ . 1 . 2]" 3
1634 1 61 PHE QD 1 69 ILE MD 2.007 . 2.510 2.132 1.909 2.434 . 0 0 "[ . 1 . 2]" 3
1635 1 20 ILE MD 1 24 TRP HA 2.696 . 6.500 4.067 3.919 4.417 . 0 0 "[ . 1 . 2]" 3
1636 1 20 ILE MD 1 32 CYS HA 2.541 . 3.748 3.606 2.989 3.806 0.058 8 0 "[ . 1 . 2]" 3
1637 1 20 ILE MD 1 25 ALA HA 2.309 . 2.975 2.516 2.140 2.953 . 0 0 "[ . 1 . 2]" 3
1638 1 20 ILE MD 1 24 TRP HB3 2.263 . 2.903 2.423 2.128 2.803 . 0 0 "[ . 1 . 2]" 3
1639 1 20 ILE MD 1 32 CYS HB3 3.137 . 4.367 4.380 4.201 4.479 0.112 8 0 "[ . 1 . 2]" 3
1640 1 20 ILE MD 1 24 TRP HB2 2.119 . 2.680 2.086 1.950 2.378 . 0 0 "[ . 1 . 2]" 3
1641 1 20 ILE MD 1 31 ASP HB2 1.964 . 3.046 3.103 2.930 3.173 0.127 10 0 "[ . 1 . 2]" 3
1642 1 20 ILE MD 1 37 ASP HB2 2.273 . 2.919 2.670 2.001 2.969 0.050 12 0 "[ . 1 . 2]" 3
1643 1 20 ILE HB 1 20 ILE MD 2.118 . 2.679 2.356 2.302 2.438 . 0 0 "[ . 1 . 2]" 3
1644 1 20 ILE MD 1 20 ILE HG13 2.055 . 2.583 2.114 2.091 2.119 . 0 0 "[ . 1 . 2]" 3
1645 1 20 ILE MD 1 20 ILE HG12 1.980 . 2.470 2.114 2.090 2.121 . 0 0 "[ . 1 . 2]" 3
1646 1 20 ILE MD 1 21 PRO HG2 3.270 . 6.500 4.506 4.181 4.727 . 0 0 "[ . 1 . 2]" 3
1647 1 20 ILE MD 1 24 TRP HE3 2.235 . 3.159 3.089 2.661 3.295 0.136 18 0 "[ . 1 . 2]" 3
1648 1 12 PHE QD 1 20 ILE MD 2.109 . 2.665 2.192 1.959 2.613 . 0 0 "[ . 1 . 2]" 3
1649 1 20 ILE MD 1 24 TRP HD1 3.407 . 5.358 5.176 4.992 5.396 0.038 7 0 "[ . 1 . 2]" 3
1650 1 70 HIS HB2 1 70 HIS HE1 4.913 . 7.930 5.092 5.006 5.246 . 0 0 "[ . 1 . 2]" 3
1651 1 59 PHE HB3 1 70 HIS HE1 4.818 . 7.719 5.770 4.999 6.351 . 0 0 "[ . 1 . 2]" 3
1652 1 70 HIS HE1 1 73 TRP HZ2 4.818 . 7.719 7.326 7.046 7.741 0.022 19 0 "[ . 1 . 2]" 3
1653 1 46 LEU HB2 1 47 TYR QD 3.347 . 4.748 2.972 2.807 3.423 . 0 0 "[ . 1 . 2]" 3
1654 1 46 LEU HA 1 47 TYR QD 3.133 . 6.510 5.044 4.790 5.194 . 0 0 "[ . 1 . 2]" 3
1655 1 57 SER HB3 1 59 PHE QD 3.129 . 4.353 3.087 2.015 3.756 . 0 0 "[ . 1 . 2]" 3
1656 1 61 PHE QD 1 86 ASP HB3 2.458 . 3.213 3.114 2.877 3.226 0.013 13 0 "[ . 1 . 2]" 3
1657 1 61 PHE QE 1 86 ASP HB3 2.657 . 3.539 2.012 1.940 2.143 . 0 0 "[ . 1 . 2]" 3
1658 1 61 PHE HB3 1 61 PHE QD 2.315 . 2.985 2.288 2.264 2.327 . 0 0 "[ . 1 . 2]" 3
1659 1 61 PHE QE 1 74 ARG HD3 2.554 . 4.770 4.675 4.551 4.810 0.040 19 0 "[ . 1 . 2]" 3
1660 1 61 PHE QE 1 69 ILE MD 2.752 . 3.699 3.145 2.960 3.559 . 0 0 "[ . 1 . 2]" 3
1661 1 57 SER HA 1 59 PHE QE 2.635 . 6.500 6.183 5.288 6.531 0.031 15 0 "[ . 1 . 2]" 3
1662 1 61 PHE QE 1 86 ASP HB2 2.799 . 3.778 3.706 3.661 3.764 . 0 0 "[ . 1 . 2]" 3
1663 1 61 PHE QE 1 69 ILE HG13 3.502 . 5.035 4.429 4.262 4.652 . 0 0 "[ . 1 . 2]" 3
1664 1 61 PHE QD 1 74 ARG HB3 3.288 . 4.640 4.632 4.440 4.890 0.250 19 0 "[ . 1 . 2]" 3
1665 1 61 PHE QD 1 64 LEU MD1 3.288 . 6.500 6.084 5.645 6.490 . 0 0 "[ . 1 . 2]" 3
1666 1 12 PHE QD 1 37 ASP HB2 3.942 . 5.884 4.331 3.575 4.645 . 0 0 "[ . 1 . 2]" 3
1667 1 12 PHE QD 1 37 ASP HA 4.037 . 6.074 3.649 3.431 4.004 . 0 0 "[ . 1 . 2]" 3
1668 1 34 ASP HB3 1 39 TRP HH2 3.307 . 4.674 3.576 3.229 3.774 . 0 0 "[ . 1 . 2]" 3
1669 1 69 ILE HB 1 73 TRP HD1 3.542 . 5.860 5.545 5.080 5.726 . 0 0 "[ . 1 . 2]" 3
1670 1 72 SER QB 1 73 TRP HD1 3.129 . 4.353 2.601 2.290 3.272 . 0 0 "[ . 1 . 2]" 3
1671 1 73 TRP HD1 1 76 ASP HB2 3.860 . 5.723 5.497 5.159 5.882 0.159 20 0 "[ . 1 . 2]" 3
1672 1 69 ILE MD 1 73 TRP HD1 3.552 . 5.129 4.941 4.880 4.986 . 0 0 "[ . 1 . 2]" 3
1673 1 36 SER HA 1 39 TRP HH2 3.860 . 5.723 5.087 4.751 5.255 . 0 0 "[ . 1 . 2]" 3
1674 1 15 ASN HB3 1 39 TRP HH2 3.057 . 4.225 3.900 3.413 4.328 0.103 12 0 "[ . 1 . 2]" 3
1675 1 34 ASP HB2 1 39 TRP HH2 3.242 . 4.555 4.561 4.280 4.766 0.211 6 0 "[ . 1 . 2]" 3
1676 1 21 PRO HG3 1 24 TRP HH2 3.987 . 5.974 4.978 4.453 5.131 . 0 0 "[ . 1 . 2]" 3
1677 1 38 GLU HB3 1 39 TRP HD1 4.151 . 6.305 5.448 5.204 5.882 . 0 0 "[ . 1 . 2]" 3
1678 1 36 SER HA 1 39 TRP HD1 3.407 . 4.858 3.924 3.112 4.200 . 0 0 "[ . 1 . 2]" 3
1679 1 21 PRO HD2 1 24 TRP HH2 3.407 . 4.858 4.737 4.216 4.917 0.059 4 0 "[ . 1 . 2]" 3
1680 1 20 ILE MG 1 24 TRP HH2 3.155 . 6.500 5.093 4.390 5.319 . 0 0 "[ . 1 . 2]" 3
1681 1 20 ILE HG13 1 24 TRP HE3 4.091 . 6.183 4.648 4.253 4.828 . 0 0 "[ . 1 . 2]" 3
1682 1 20 ILE MG 1 24 TRP HZ3 3.415 . 4.872 3.159 2.507 3.383 . 0 0 "[ . 1 . 2]" 3
1683 1 43 CYS HB3 1 47 TYR QE 2.548 . 5.360 3.062 2.054 3.910 . 0 0 "[ . 1 . 2]" 3
1684 1 43 CYS HA 1 47 TYR QE 3.727 . 5.463 3.271 2.470 3.938 . 0 0 "[ . 1 . 2]" 3
1685 1 44 ARG HA 1 47 TYR QE 2.979 . 4.888 3.176 2.486 3.684 . 0 0 "[ . 1 . 2]" 3
1686 1 43 CYS HB2 1 47 TYR QE 3.574 . 5.571 4.102 3.140 4.754 . 0 0 "[ . 1 . 2]" 3
1687 1 46 LEU HB2 1 47 TYR QE 3.270 . 5.207 4.667 4.500 4.794 . 0 0 "[ . 1 . 2]" 3
1688 1 21 PRO HG3 1 24 TRP HZ2 3.987 . 5.974 4.090 3.399 4.300 . 0 0 "[ . 1 . 2]" 3
1689 1 23 LEU QB 1 24 TRP HZ2 3.942 . 6.384 6.198 5.846 6.461 0.077 20 0 "[ . 1 . 2]" 3
1690 1 58 ALA MB 1 59 PHE HZ 4.292 . 6.595 4.237 3.824 4.803 . 0 0 "[ . 1 . 2]" 3
1691 1 12 PHE QD 1 13 GLN HA 4.151 . 6.305 4.569 4.297 5.182 . 0 0 "[ . 1 . 2]" 3
1692 1 72 SER HA 1 72 SER QB 1.910 . 2.366 2.317 2.192 2.379 0.013 12 0 "[ . 1 . 2]" 3
1693 1 81 CYS HB3 1 83 ASP HB3 2.615 . 4.470 4.131 3.710 4.561 0.091 20 0 "[ . 1 . 2]" 3
1694 1 12 PHE HZ 1 37 ASP HA 3.585 . 5.192 3.753 3.413 4.146 . 0 0 "[ . 1 . 2]" 3
1695 1 21 PRO HG2 1 24 TRP HD1 4.476 . 6.980 3.298 3.097 3.458 . 0 0 "[ . 1 . 2]" 3
1696 1 40 PRO HA 1 47 TYR QE 3.757 . 6.500 6.180 5.451 6.581 0.081 13 0 "[ . 1 . 2]" 3
1697 1 57 SER HA 1 59 PHE QD 3.046 . 6.500 5.101 4.341 5.804 . 0 0 "[ . 1 . 2]" 3
1698 1 13 GLN HE21 1 13 GLN HG2 2.817 . 3.809 2.331 2.131 3.132 . 0 0 "[ . 1 . 2]" 3
1699 1 50 GLN HE21 1 50 GLN QG 2.817 . 3.809 2.265 2.092 2.578 . 0 0 "[ . 1 . 2]" 3
1700 1 13 GLN HB2 1 13 GLN HE21 3.364 . 4.778 4.044 3.871 4.319 . 0 0 "[ . 1 . 2]" 3
1701 1 50 GLN HE22 1 50 GLN QG 3.144 . 4.380 3.275 3.216 3.415 . 0 0 "[ . 1 . 2]" 3
1702 1 13 GLN HE21 1 17 SER HA 2.851 . 3.867 3.590 2.890 3.931 0.064 11 0 "[ . 1 . 2]" 3
1703 1 59 PHE H 1 59 PHE HB2 3.263 . 4.594 2.694 2.583 2.846 . 0 0 "[ . 1 . 2]" 3
1704 1 58 ALA HA 1 59 PHE H 3.220 . 4.516 3.455 3.147 3.524 . 0 0 "[ . 1 . 2]" 3
1705 1 57 SER HB3 1 59 PHE H 3.570 . 5.163 2.872 2.242 3.139 . 0 0 "[ . 1 . 2]" 3
1706 1 38 GLU H 1 38 GLU HG2 2.638 . 3.508 2.010 1.854 2.169 . 0 0 "[ . 1 . 2]" 3
1707 1 37 ASP HA 1 38 GLU H 2.997 . 4.120 3.562 3.534 3.584 . 0 0 "[ . 1 . 2]" 3
1708 1 35 GLY HA2 1 38 GLU H 3.079 . 4.264 3.744 3.231 4.393 0.129 6 0 "[ . 1 . 2]" 3
1709 1 38 GLU H 1 38 GLU HB3 2.743 . 3.684 3.639 3.599 3.698 0.014 5 0 "[ . 1 . 2]" 3
1710 1 82 LYS HB3 1 83 ASP H 2.548 . 3.359 2.889 2.769 3.011 . 0 0 "[ . 1 . 2]" 3
1711 1 83 ASP H 1 83 ASP HB2 2.638 . 3.508 2.554 2.351 2.797 . 0 0 "[ . 1 . 2]" 3
1712 1 65 SER HB2 1 83 ASP H 2.462 . 3.220 2.760 2.235 3.381 0.161 10 0 "[ . 1 . 2]" 3
1713 1 83 ASP H 1 83 ASP HB3 2.432 . 3.171 2.768 2.503 3.016 . 0 0 "[ . 1 . 2]" 3
1714 1 65 SER HB3 1 83 ASP H 2.532 . 3.333 3.119 2.092 3.498 0.165 6 0 "[ . 1 . 2]" 3
1715 1 82 LYS QD 1 83 ASP H 2.851 . 4.267 3.515 3.289 4.143 . 0 0 "[ . 1 . 2]" 3
1716 1 17 SER H 1 17 SER HA 2.540 . 3.346 2.318 2.265 2.721 . 0 0 "[ . 1 . 2]" 3
1717 1 14 CYS HB2 1 17 SER H 3.663 . 5.340 3.602 2.552 4.225 . 0 0 "[ . 1 . 2]" 3
1718 1 89 ASN HB3 1 89 ASN HD21 2.648 . 3.525 2.166 2.115 2.478 . 0 0 "[ . 1 . 2]" 3
1719 1 88 GLU HB2 1 89 ASN HD21 3.364 . 4.778 4.283 3.669 4.780 0.002 1 0 "[ . 1 . 2]" 3
1720 1 89 ASN HB3 1 89 ASN HD22 2.801 . 3.782 3.455 3.434 3.581 . 0 0 "[ . 1 . 2]" 3
1721 1 10 ALA HA 1 11 SER H 2.510 . 3.297 2.924 2.518 3.448 0.151 7 0 "[ . 1 . 2]" 3
1722 1 11 SER H 1 22 GLN HB3 3.079 . 5.064 4.381 3.866 5.128 0.064 7 0 "[ . 1 . 2]" 3
1723 1 15 ASN HA 1 15 ASN HD22 3.570 . 5.163 4.047 3.731 4.506 . 0 0 "[ . 1 . 2]" 3
1724 1 15 ASN HB3 1 15 ASN HD22 3.424 . 4.889 3.966 3.644 4.081 . 0 0 "[ . 1 . 2]" 3
1725 1 15 ASN HB3 1 15 ASN HD21 3.144 . 4.380 3.295 2.623 3.519 . 0 0 "[ . 1 . 2]" 3
1726 1 34 ASP H 1 34 ASP HB2 3.570 . 5.163 2.807 2.372 3.239 . 0 0 "[ . 1 . 2]" 3
1727 1 32 CYS HB3 1 34 ASP H 3.424 . 4.889 2.865 2.374 3.576 . 0 0 "[ . 1 . 2]" 3
1728 1 28 ASN H 1 38 GLU HG3 3.424 . 4.889 4.005 3.707 4.249 . 0 0 "[ . 1 . 2]" 3
1729 1 27 ASP HB2 1 28 ASN H 3.050 . 4.213 3.827 3.744 3.945 . 0 0 "[ . 1 . 2]" 3
1730 1 28 ASN H 1 28 ASN QB 2.462 . 3.220 3.040 3.002 3.081 . 0 0 "[ . 1 . 2]" 3
1731 1 28 ASN H 1 29 ASP HA 3.663 . 5.340 4.288 4.234 4.349 . 0 0 "[ . 1 . 2]" 3
1732 1 20 ILE MD 1 37 ASP H 3.144 . 4.380 3.918 3.714 4.138 . 0 0 "[ . 1 . 2]" 3
1733 1 36 SER HA 1 37 ASP H 3.079 . 4.264 3.460 3.248 3.532 . 0 0 "[ . 1 . 2]" 3
1734 1 37 ASP H 1 37 ASP HB2 2.833 . 3.837 3.576 3.325 3.619 . 0 0 "[ . 1 . 2]" 3
1735 1 37 ASP H 1 37 ASP HB3 2.801 . 3.782 2.705 2.084 2.853 . 0 0 "[ . 1 . 2]" 3
1736 1 32 CYS HB2 1 37 ASP H 2.659 . 3.543 2.495 2.262 2.801 . 0 0 "[ . 1 . 2]" 3
1737 1 32 CYS HB3 1 37 ASP H 2.801 . 3.782 3.685 3.364 3.888 0.106 14 0 "[ . 1 . 2]" 3
1738 1 37 ASP H 1 37 ASP HA 2.757 . 3.707 2.803 2.740 2.863 . 0 0 "[ . 1 . 2]" 3
1739 1 64 LEU MD2 1 85 SER H 3.491 . 5.015 4.513 3.928 4.789 . 0 0 "[ . 1 . 2]" 3
1740 1 83 ASP HB3 1 85 SER H 2.705 . 4.020 2.646 2.371 3.307 . 0 0 "[ . 1 . 2]" 3
1741 1 85 SER H 1 85 SER HA 2.495 . 3.273 2.795 2.761 2.851 . 0 0 "[ . 1 . 2]" 3
1742 1 85 SER H 1 85 SER HB2 2.389 . 3.402 2.875 2.091 3.486 0.084 11 0 "[ . 1 . 2]" 3
1743 1 84 LYS HB2 1 85 SER H 3.311 . 4.681 4.521 4.391 4.620 . 0 0 "[ . 1 . 2]" 3
1744 1 85 SER H 1 88 GLU HG2 3.144 . 4.880 4.821 4.446 5.003 0.123 7 0 "[ . 1 . 2]" 3
1745 1 81 CYS HB3 1 85 SER H 3.110 . 4.319 3.325 2.437 3.578 . 0 0 "[ . 1 . 2]" 3
1746 1 36 SER H 1 36 SER HA 2.757 . 3.707 2.703 2.610 2.859 . 0 0 "[ . 1 . 2]" 3
1747 1 36 SER H 1 36 SER HB2 2.670 . 3.561 3.060 2.496 3.426 . 0 0 "[ . 1 . 2]" 3
1748 1 32 CYS HB2 1 36 SER H 2.489 . 3.263 2.853 2.213 3.514 0.251 8 0 "[ . 1 . 2]" 3
1749 1 32 CYS HB3 1 36 SER H 2.648 . 3.925 3.395 2.493 4.126 0.201 10 0 "[ . 1 . 2]" 3
1750 1 35 GLY HA3 1 36 SER H 2.973 . 4.078 3.285 3.110 3.509 . 0 0 "[ . 1 . 2]" 3
1751 1 34 ASP HB2 1 36 SER H 3.263 . 4.594 4.290 3.478 4.645 0.051 4 0 "[ . 1 . 2]" 3
1752 1 52 ASP HB2 1 53 SER H 3.364 . 4.778 3.135 2.024 4.423 . 0 0 "[ . 1 . 2]" 3
1753 1 42 ARG H 1 42 ARG HG2 2.997 . 4.120 2.788 2.445 3.327 . 0 0 "[ . 1 . 2]" 3
1754 1 42 ARG H 1 42 ARG HB3 2.399 . 3.518 3.596 3.530 3.721 0.203 12 0 "[ . 1 . 2]" 3
1755 1 39 TRP HB3 1 42 ARG H 2.997 . 4.120 2.744 2.511 3.107 . 0 0 "[ . 1 . 2]" 3
1756 1 39 TRP HB2 1 42 ARG H 3.023 . 4.165 3.374 3.176 3.874 . 0 0 "[ . 1 . 2]" 3
1757 1 41 GLN HA 1 42 ARG H 2.997 . 4.120 3.483 3.175 3.567 . 0 0 "[ . 1 . 2]" 3
1758 1 21 PRO HB3 1 24 TRP H 2.786 . 5.656 4.581 4.250 5.206 . 0 0 "[ . 1 . 2]" 3
1759 1 24 TRP H 1 24 TRP HB2 2.548 . 3.359 2.581 2.295 2.707 . 0 0 "[ . 1 . 2]" 3
1760 1 23 LEU HA 1 24 TRP H 2.801 . 3.782 3.503 3.258 3.558 . 0 0 "[ . 1 . 2]" 3
1761 1 24 TRP H 1 24 TRP HB3 2.590 . 3.629 3.607 3.550 3.666 0.037 7 0 "[ . 1 . 2]" 3
1762 1 69 ILE H 1 69 ILE HG13 2.384 . 3.094 2.447 2.356 2.617 . 0 0 "[ . 1 . 2]" 3
1763 1 69 ILE H 1 69 ILE MG 2.475 . 3.241 3.219 3.151 3.277 0.036 12 0 "[ . 1 . 2]" 3
1764 1 19 CYS HA 1 20 ILE H 2.217 . 2.831 2.227 2.135 2.305 . 0 0 "[ . 1 . 2]" 3
1765 1 11 SER QB 1 20 ILE H 3.050 . 4.413 3.926 3.365 4.365 . 0 0 "[ . 1 . 2]" 3
1766 1 43 CYS H 1 44 ARG QG 3.050 . 4.213 3.974 3.029 4.472 0.259 20 0 "[ . 1 . 2]" 3
1767 1 43 CYS H 1 43 CYS HB3 2.590 . 4.029 3.259 2.704 3.639 . 0 0 "[ . 1 . 2]" 3
1768 1 14 CYS HB2 1 18 THR H 2.973 . 4.278 2.444 1.975 3.118 . 0 0 "[ . 1 . 2]" 3
1769 1 14 CYS HB3 1 18 THR H 3.079 . 4.764 4.028 3.402 4.772 0.008 20 0 "[ . 1 . 2]" 3
1770 1 18 THR H 1 18 THR HB 2.259 . 2.897 2.648 2.414 2.848 . 0 0 "[ . 1 . 2]" 3
1771 1 23 LEU H 1 23 LEU QB 2.270 . 2.914 2.502 2.427 2.600 . 0 0 "[ . 1 . 2]" 3
1772 1 22 GLN HG2 1 23 LEU H 3.180 . 4.444 4.183 3.837 4.529 0.085 12 0 "[ . 1 . 2]" 3
1773 1 23 LEU H 1 23 LEU HA 2.590 . 3.429 2.859 2.784 2.939 . 0 0 "[ . 1 . 2]" 3
1774 1 11 SER HA 1 23 LEU H 3.570 . 5.163 4.661 4.471 4.920 . 0 0 "[ . 1 . 2]" 3
1775 1 20 ILE H 1 20 ILE MG 2.693 . 3.599 3.176 2.972 3.332 . 0 0 "[ . 1 . 2]" 3
1776 1 20 ILE H 1 20 ILE HB 2.928 . 4.000 3.984 3.913 4.028 0.028 8 0 "[ . 1 . 2]" 3
1777 1 69 ILE MD 1 86 ASP H 3.110 . 4.819 4.478 4.299 4.570 . 0 0 "[ . 1 . 2]" 3
1778 1 86 ASP H 1 86 ASP HB2 2.771 . 3.731 3.566 3.554 3.581 . 0 0 "[ . 1 . 2]" 3
1779 1 81 CYS HB3 1 86 ASP H 3.023 . 4.165 4.080 3.520 4.281 0.116 2 0 "[ . 1 . 2]" 3
1780 1 86 ASP H 1 86 ASP HB3 2.462 . 3.220 2.739 2.652 2.868 . 0 0 "[ . 1 . 2]" 3
1781 1 86 ASP H 1 86 ASP HA 2.404 . 3.127 2.796 2.764 2.818 . 0 0 "[ . 1 . 2]" 3
1782 1 55 PRO HG3 1 56 CYS H 2.693 . 4.999 4.596 3.527 5.099 0.100 11 0 "[ . 1 . 2]" 3
1783 1 56 CYS H 1 56 CYS HB2 2.590 . 3.429 3.006 2.666 3.307 . 0 0 "[ . 1 . 2]" 3
1784 1 55 PRO HD3 1 56 CYS H 2.659 . 4.243 4.025 3.654 4.272 0.029 11 0 "[ . 1 . 2]" 3
1785 1 29 ASP H 1 38 GLU HG3 2.907 . 3.963 3.825 3.059 4.169 0.206 17 0 "[ . 1 . 2]" 3
1786 1 28 ASN QB 1 29 ASP H 2.581 . 3.414 2.980 2.682 3.523 0.109 19 0 "[ . 1 . 2]" 3
1787 1 29 ASP H 1 29 ASP HA 2.564 . 3.386 2.926 2.828 2.947 . 0 0 "[ . 1 . 2]" 3
1788 1 87 GLU H 1 87 GLU HB2 2.510 . 3.297 2.728 2.662 2.911 . 0 0 "[ . 1 . 2]" 3
1789 1 87 GLU H 1 87 GLU HG3 2.332 . 3.562 3.530 3.461 3.612 0.050 14 0 "[ . 1 . 2]" 3
1790 1 86 ASP HB3 1 87 GLU H 3.050 . 4.213 3.861 3.582 3.941 . 0 0 "[ . 1 . 2]" 3
1791 1 86 ASP HA 1 87 GLU H 2.599 . 3.443 3.562 3.538 3.575 0.132 5 0 "[ . 1 . 2]" 3
1792 1 84 LYS QG 1 87 GLU H 3.311 . 5.181 2.825 2.548 3.189 . 0 0 "[ . 1 . 2]" 3
1793 1 57 SER H 1 60 GLU HG3 2.581 . 3.934 3.841 3.533 4.253 0.319 5 0 "[ . 1 . 2]" 3
1794 1 56 CYS HB2 1 57 SER H 2.757 . 3.707 3.244 1.744 3.643 0.063 5 0 "[ . 1 . 2]" 3
1795 1 57 SER H 1 68 CYS QB 3.110 . 4.819 4.563 4.090 4.982 0.163 5 0 "[ . 1 . 2]" 3
1796 1 57 SER H 1 57 SER HA 2.771 . 3.731 2.774 2.693 2.923 . 0 0 "[ . 1 . 2]" 3
1797 1 93 ALA MB 1 94 THR H 3.220 . 4.516 3.509 2.840 3.713 . 0 0 "[ . 1 . 2]" 3
1798 1 92 VAL MG2 1 94 THR H 3.311 . 4.681 3.604 2.136 4.688 0.007 15 0 "[ . 1 . 2]" 3
1799 1 68 CYS H 1 69 ILE MG 2.786 . 4.156 4.097 3.947 4.217 0.061 11 0 "[ . 1 . 2]" 3
1800 1 68 CYS H 1 68 CYS QB 2.194 . 2.796 2.398 2.321 2.490 . 0 0 "[ . 1 . 2]" 3
1801 1 81 CYS H 1 81 CYS HB3 2.705 . 3.620 2.785 2.495 3.367 . 0 0 "[ . 1 . 2]" 3
1802 1 81 CYS H 1 84 LYS HA 2.907 . 3.963 3.247 2.967 3.609 . 0 0 "[ . 1 . 2]" 3
1803 1 67 GLU HA 1 68 CYS H 2.199 . 2.804 2.240 2.150 2.328 . 0 0 "[ . 1 . 2]" 3
1804 1 68 CYS H 1 68 CYS HA 2.801 . 3.782 2.925 2.876 2.947 . 0 0 "[ . 1 . 2]" 3
1805 1 81 CYS H 1 84 LYS QD 3.079 . 5.664 5.489 5.271 5.791 0.127 20 0 "[ . 1 . 2]" 3
1806 1 58 ALA MB 1 60 GLU H 3.220 . 4.766 4.437 4.303 5.077 0.311 13 0 "[ . 1 . 2]" 3
1807 1 60 GLU H 1 60 GLU HG3 2.259 . 2.897 2.871 2.110 3.101 0.204 14 0 "[ . 1 . 2]" 3
1808 1 59 PHE HB2 1 60 GLU H 3.110 . 4.319 3.757 1.980 4.126 . 0 0 "[ . 1 . 2]" 3
1809 1 58 ALA HA 1 60 GLU H 2.743 . 4.934 3.850 3.559 5.203 0.269 5 0 "[ . 1 . 2]" 3
1810 1 57 SER HB2 1 60 GLU H 2.757 . 3.707 3.487 2.031 3.828 0.121 9 0 "[ . 1 . 2]" 3
1811 1 60 GLU H 1 60 GLU HA 2.300 . 2.961 2.894 2.743 2.937 . 0 0 "[ . 1 . 2]" 3
1812 1 87 GLU HB2 1 88 GLU H 2.997 . 4.120 3.015 2.562 3.587 . 0 0 "[ . 1 . 2]" 3
1813 1 88 GLU H 1 88 GLU HB2 2.126 . 2.691 2.245 2.218 2.335 . 0 0 "[ . 1 . 2]" 3
1814 1 88 GLU H 1 88 GLU HG2 2.450 . 3.700 2.785 2.698 3.000 . 0 0 "[ . 1 . 2]" 3
1815 1 85 SER HA 1 88 GLU H 2.556 . 4.672 3.326 3.139 3.882 . 0 0 "[ . 1 . 2]" 3
1816 1 32 CYS H 1 32 CYS HB2 2.502 . 3.285 2.420 2.247 2.609 . 0 0 "[ . 1 . 2]" 3
1817 1 32 CYS H 1 32 CYS HB3 2.670 . 3.561 3.573 3.492 3.639 0.078 10 0 "[ . 1 . 2]" 3
1818 1 32 CYS H 1 32 CYS HA 2.495 . 3.273 2.843 2.752 2.949 . 0 0 "[ . 1 . 2]" 3
1819 1 31 ASP HB2 1 32 CYS H 2.581 . 3.914 3.317 2.649 4.198 0.284 7 0 "[ . 1 . 2]" 3
1820 1 46 LEU HB2 1 47 TYR H 3.110 . 4.319 2.349 1.906 2.954 . 0 0 "[ . 1 . 2]" 3
1821 1 47 TYR H 1 47 TYR HB3 2.950 . 4.038 2.682 2.478 3.025 . 0 0 "[ . 1 . 2]" 3
1822 1 91 ALA HA 1 92 VAL H 2.950 . 4.038 2.883 2.321 3.555 . 0 0 "[ . 1 . 2]" 3
1823 1 4 VAL H 1 4 VAL MG2 3.023 . 4.165 2.399 2.229 2.534 . 0 0 "[ . 1 . 2]" 3
1824 1 3 PRO QG 1 4 VAL H 2.950 . 4.038 2.081 1.979 2.277 . 0 0 "[ . 1 . 2]" 3
1825 1 3 PRO HA 1 4 VAL H 2.705 . 3.620 3.565 3.547 3.571 . 0 0 "[ . 1 . 2]" 3
1826 1 69 ILE MD 1 73 TRP H 2.833 . 3.837 3.641 3.544 3.740 . 0 0 "[ . 1 . 2]" 3
1827 1 44 ARG H 1 44 ARG HA 2.693 . 3.599 2.693 2.278 2.949 . 0 0 "[ . 1 . 2]" 3
1828 1 73 TRP H 1 73 TRP HA 2.693 . 3.599 2.876 2.848 2.902 . 0 0 "[ . 1 . 2]" 3
1829 1 26 CYS H 1 38 GLU HB2 3.663 . 6.140 5.756 5.204 6.099 . 0 0 "[ . 1 . 2]" 3
1830 1 26 CYS H 1 37 ASP HB2 2.833 . 3.837 2.095 1.842 3.443 . 0 0 "[ . 1 . 2]" 3
1831 1 26 CYS H 1 37 ASP HB3 2.869 . 4.198 3.688 3.315 4.489 0.291 7 0 "[ . 1 . 2]" 3
1832 1 26 CYS H 1 26 CYS HB2 2.638 . 3.508 3.130 2.758 3.373 . 0 0 "[ . 1 . 2]" 3
1833 1 25 ALA HA 1 26 CYS H 2.426 . 3.162 2.295 2.110 2.469 . 0 0 "[ . 1 . 2]" 3
1834 1 26 CYS H 1 38 GLU HA 3.110 . 4.319 3.594 3.108 4.246 . 0 0 "[ . 1 . 2]" 3
1835 1 76 ASP H 1 87 GLU HG3 3.424 . 5.889 4.821 4.403 5.858 . 0 0 "[ . 1 . 2]" 3
1836 1 76 ASP H 1 76 ASP HB2 2.618 . 3.725 3.708 3.540 3.821 0.096 12 0 "[ . 1 . 2]" 3
1837 1 76 ASP H 1 76 ASP HB3 2.540 . 3.346 2.725 2.280 2.892 . 0 0 "[ . 1 . 2]" 3
1838 1 74 ARG HA 1 76 ASP H 2.950 . 4.938 3.987 3.310 4.191 . 0 0 "[ . 1 . 2]" 3
1839 1 46 LEU H 1 46 LEU HB2 2.757 . 3.707 2.549 2.255 2.706 . 0 0 "[ . 1 . 2]" 3
1840 1 46 LEU H 1 46 LEU MD2 2.801 . 3.782 2.263 1.874 2.667 . 0 0 "[ . 1 . 2]" 3
1841 1 60 GLU HG2 1 71 SER H 2.540 . 4.396 4.119 3.815 4.229 . 0 0 "[ . 1 . 2]" 3
1842 1 70 HIS HA 1 71 SER H 2.142 . 2.716 2.240 2.200 2.281 . 0 0 "[ . 1 . 2]" 3
1843 1 71 SER H 1 71 SER HB2 2.556 . 3.372 2.086 2.056 2.096 . 0 0 "[ . 1 . 2]" 3
1844 1 69 ILE MD 1 71 SER H 3.663 . 5.340 5.407 5.352 5.465 0.125 19 0 "[ . 1 . 2]" 3
1845 1 19 CYS H 1 20 ILE MG 3.424 . 4.889 3.903 3.563 4.129 . 0 0 "[ . 1 . 2]" 3
1846 1 19 CYS H 1 19 CYS HB2 2.648 . 3.525 2.763 2.445 3.123 . 0 0 "[ . 1 . 2]" 3
1847 1 19 CYS H 1 19 CYS HB3 2.743 . 3.684 2.681 2.484 2.898 . 0 0 "[ . 1 . 2]" 3
1848 1 18 THR HA 1 19 CYS H 2.133 . 2.702 2.292 2.132 2.619 . 0 0 "[ . 1 . 2]" 3
1849 1 61 PHE H 1 69 ILE MD 3.110 . 4.969 4.629 4.453 4.891 . 0 0 "[ . 1 . 2]" 3
1850 1 61 PHE H 1 61 PHE HB3 2.681 . 3.580 2.657 2.432 2.825 . 0 0 "[ . 1 . 2]" 3
1851 1 61 PHE H 1 61 PHE HB2 2.556 . 3.372 3.317 3.072 3.443 0.071 11 0 "[ . 1 . 2]" 3
1852 1 61 PHE H 1 70 HIS HA 2.693 . 3.599 3.402 3.009 3.678 0.079 12 0 "[ . 1 . 2]" 3
1853 1 61 PHE H 1 68 CYS HA 3.663 . 5.340 4.590 4.082 5.065 . 0 0 "[ . 1 . 2]" 3
1854 1 61 PHE H 1 71 SER HB2 3.144 . 4.980 4.902 4.469 5.114 0.134 11 0 "[ . 1 . 2]" 3
1855 1 60 GLU HB2 1 61 PHE H 2.384 . 3.344 3.215 2.810 3.549 0.205 10 0 "[ . 1 . 2]" 3
1856 1 27 ASP H 1 38 GLU HG2 3.663 . 5.340 4.547 4.105 5.181 . 0 0 "[ . 1 . 2]" 3
1857 1 27 ASP H 1 27 ASP HB2 2.757 . 3.707 3.663 3.492 3.807 0.100 19 0 "[ . 1 . 2]" 3
1858 1 27 ASP H 1 27 ASP HB3 2.510 . 3.297 2.548 2.183 2.826 . 0 0 "[ . 1 . 2]" 3
1859 1 69 ILE MG 1 70 HIS H 2.786 . 3.756 3.750 3.657 3.790 0.034 17 0 "[ . 1 . 2]" 3
1860 1 70 HIS H 1 70 HIS HB2 2.489 . 3.263 2.236 2.158 2.311 . 0 0 "[ . 1 . 2]" 3
1861 1 70 HIS H 1 70 HIS HB3 2.510 . 3.297 2.908 2.794 3.043 . 0 0 "[ . 1 . 2]" 3
1862 1 69 ILE HG13 1 70 HIS H 3.220 . 4.516 4.209 3.971 4.379 . 0 0 "[ . 1 . 2]" 3
1863 1 36 SER HA 1 39 TRP H 2.648 . 3.925 3.461 2.966 4.011 0.086 5 0 "[ . 1 . 2]" 3
1864 1 39 TRP H 1 42 ARG HB3 2.628 . 4.791 4.601 3.650 5.015 0.224 17 0 "[ . 1 . 2]" 3
1865 1 39 TRP H 1 39 TRP HB2 2.482 . 3.252 2.366 2.170 2.462 . 0 0 "[ . 1 . 2]" 3
1866 1 37 ASP HA 1 39 TRP H 2.887 . 4.329 4.209 3.855 4.592 0.263 18 0 "[ . 1 . 2]" 3
1867 1 38 GLU HB3 1 39 TRP H 2.907 . 4.513 4.279 3.948 4.574 0.061 12 0 "[ . 1 . 2]" 3
1868 1 39 TRP H 1 40 PRO HD2 3.110 . 5.019 5.133 5.061 5.244 0.225 4 0 "[ . 1 . 2]" 3
1869 1 48 VAL MG1 1 49 PHE H 3.491 . 5.015 2.987 1.945 4.189 0.022 6 0 "[ . 1 . 2]" 3
1870 1 48 VAL HB 1 49 PHE H 3.491 . 5.015 2.951 1.873 4.351 0.094 2 0 "[ . 1 . 2]" 3
1871 1 21 PRO HB2 1 22 GLN H 3.023 . 4.165 3.281 2.968 3.520 . 0 0 "[ . 1 . 2]" 3
1872 1 10 ALA MB 1 22 GLN H 3.263 . 4.594 4.168 3.878 4.330 . 0 0 "[ . 1 . 2]" 3
1873 1 22 GLN H 1 22 GLN HB3 2.311 . 2.979 2.526 2.432 2.611 . 0 0 "[ . 1 . 2]" 3
1874 1 12 PHE QB 1 22 GLN H 3.180 . 4.444 3.965 3.790 4.227 . 0 0 "[ . 1 . 2]" 3
1875 1 21 PRO HD3 1 22 GLN H 3.663 . 5.340 5.340 5.276 5.451 0.111 7 0 "[ . 1 . 2]" 3
1876 1 74 ARG HG2 1 75 CYS H 2.681 . 3.580 2.810 2.238 3.020 . 0 0 "[ . 1 . 2]" 3
1877 1 74 ARG HD2 1 75 CYS H 3.050 . 5.413 5.415 4.894 5.564 0.151 2 0 "[ . 1 . 2]" 3
1878 1 75 CYS H 1 87 GLU HG3 3.023 . 5.715 5.218 5.022 5.717 0.002 20 0 "[ . 1 . 2]" 3
1879 1 75 CYS H 1 86 ASP HB2 2.757 . 4.107 1.962 1.812 2.134 . 0 0 "[ . 1 . 2]" 3
1880 1 75 CYS H 1 75 CYS HB2 2.524 . 3.871 3.349 2.767 3.752 . 0 0 "[ . 1 . 2]" 3
1881 1 74 ARG HA 1 75 CYS H 2.249 . 2.881 2.164 2.134 2.321 . 0 0 "[ . 1 . 2]" 3
1882 1 74 ARG HG3 1 75 CYS H 3.050 . 5.013 4.271 3.716 4.471 . 0 0 "[ . 1 . 2]" 3
1883 1 32 CYS HB2 1 35 GLY H 2.869 . 3.898 2.395 2.049 3.121 . 0 0 "[ . 1 . 2]" 3
1884 1 35 GLY H 1 35 GLY HA2 2.350 . 3.040 2.424 2.291 2.556 . 0 0 "[ . 1 . 2]" 3
1885 1 35 GLY H 1 35 GLY HA3 2.438 . 3.181 2.912 2.773 2.957 . 0 0 "[ . 1 . 2]" 3
1886 1 67 GLU H 1 67 GLU HG2 2.973 . 4.528 4.079 3.031 4.590 0.062 20 0 "[ . 1 . 2]" 3
1887 1 67 GLU H 1 67 GLU HB2 2.851 . 3.867 3.327 2.817 3.787 . 0 0 "[ . 1 . 2]" 3
1888 1 63 CYS HB3 1 67 GLU H 2.973 . 4.278 3.881 2.499 4.607 0.329 5 0 "[ . 1 . 2]" 3
1889 1 67 GLU H 1 67 GLU HA 2.887 . 3.929 2.933 2.894 2.947 . 0 0 "[ . 1 . 2]" 3
1890 1 12 PHE H 1 22 GLN HB3 2.950 . 5.738 5.616 5.381 5.995 0.257 17 0 "[ . 1 . 2]" 3
1891 1 12 PHE H 1 20 ILE HG13 3.144 . 4.380 3.599 3.441 4.092 . 0 0 "[ . 1 . 2]" 3
1892 1 12 PHE H 1 20 ILE HG12 3.220 . 4.516 4.579 4.220 4.694 0.178 17 0 "[ . 1 . 2]" 3
1893 1 12 PHE H 1 12 PHE QB 2.456 . 3.210 2.629 2.502 2.930 . 0 0 "[ . 1 . 2]" 3
1894 1 12 PHE H 1 22 GLN HA 2.907 . 4.463 3.775 3.431 4.443 . 0 0 "[ . 1 . 2]" 3
1895 1 7 CYS HB3 1 12 PHE H 3.424 . 4.889 4.012 3.188 4.541 . 0 0 "[ . 1 . 2]" 3
1896 1 64 LEU H 1 64 LEU MD1 2.851 . 3.867 2.122 1.874 3.014 . 0 0 "[ . 1 . 2]" 3
1897 1 64 LEU H 1 64 LEU HB3 2.659 . 3.543 3.533 3.383 3.579 0.036 7 0 "[ . 1 . 2]" 3
1898 1 64 LEU H 1 83 ASP HB3 2.771 . 4.331 3.748 2.609 4.425 0.094 19 0 "[ . 1 . 2]" 3
1899 1 64 LEU H 1 64 LEU HA 2.572 . 3.399 2.743 2.629 2.942 . 0 0 "[ . 1 . 2]" 3
1900 1 15 ASN H 1 36 SER HB2 3.491 . 5.015 2.159 1.956 2.297 0.011 16 0 "[ . 1 . 2]" 3
1901 1 15 ASN H 1 42 ARG HD2 3.424 . 4.889 4.040 3.415 5.012 0.123 19 0 "[ . 1 . 2]" 3
1902 1 15 ASN H 1 36 SER HB3 2.907 . 3.963 2.331 1.977 3.277 . 0 0 "[ . 1 . 2]" 3
1903 1 15 ASN H 1 15 ASN HB2 3.263 . 4.594 2.459 2.263 2.742 . 0 0 "[ . 1 . 2]" 3
1904 1 14 CYS HA 1 15 ASN H 3.079 . 4.264 2.318 2.175 2.644 . 0 0 "[ . 1 . 2]" 3
1905 1 5 LEU H 1 5 LEU HG 2.997 . 4.120 3.338 2.837 3.595 . 0 0 "[ . 1 . 2]" 3
1906 1 78 GLY H 1 87 GLU HG3 2.928 . 4.600 3.834 2.487 4.438 . 0 0 "[ . 1 . 2]" 3
1907 1 78 GLY H 1 78 GLY HA2 2.137 . 2.808 2.889 2.649 2.952 0.144 6 0 "[ . 1 . 2]" 3
1908 1 77 GLY HA3 1 78 GLY H 2.659 . 3.543 3.095 2.874 3.556 0.013 14 0 "[ . 1 . 2]" 3
1909 1 74 ARG H 1 74 ARG HB2 2.246 . 2.876 2.455 2.248 2.613 . 0 0 "[ . 1 . 2]" 3
1910 1 74 ARG H 1 74 ARG HB3 2.307 . 2.973 2.757 2.671 2.873 . 0 0 "[ . 1 . 2]" 3
1911 1 73 TRP HB2 1 74 ARG H 2.928 . 4.000 3.470 3.228 3.743 . 0 0 "[ . 1 . 2]" 3
1912 1 61 PHE HB3 1 74 ARG H 2.973 . 5.178 4.614 4.369 4.853 . 0 0 "[ . 1 . 2]" 3
1913 1 73 TRP HA 1 74 ARG H 2.786 . 3.756 3.301 3.173 3.419 . 0 0 "[ . 1 . 2]" 3
1914 1 70 HIS HB2 1 73 TRP HE1 3.180 . 4.444 3.726 3.511 3.835 . 0 0 "[ . 1 . 2]" 3
1915 1 70 HIS HB3 1 73 TRP HE1 3.263 . 4.594 3.168 2.912 3.344 . 0 0 "[ . 1 . 2]" 3
1916 1 72 SER QB 1 73 TRP HE1 3.263 . 4.594 3.776 3.384 4.524 . 0 0 "[ . 1 . 2]" 3
1917 1 73 TRP HA 1 73 TRP HE1 3.424 . 4.889 4.908 4.880 4.925 0.036 16 0 "[ . 1 . 2]" 3
1918 1 23 LEU QB 1 24 TRP HE1 3.311 . 4.681 3.887 3.497 4.077 . 0 0 "[ . 1 . 2]" 3
1919 1 23 LEU QB 1 25 ALA H 3.050 . 5.113 4.375 4.075 4.906 . 0 0 "[ . 1 . 2]" 3
1920 1 12 PHE QB 1 25 ALA H 3.023 . 5.365 3.557 3.187 4.000 . 0 0 "[ . 1 . 2]" 3
1921 1 25 ALA H 1 25 ALA HA 2.540 . 3.346 2.768 2.715 2.803 . 0 0 "[ . 1 . 2]" 3
1922 1 23 LEU HA 1 25 ALA H 2.817 . 4.709 4.125 3.927 4.658 . 0 0 "[ . 1 . 2]" 3
1923 1 65 SER H 1 83 ASP HB3 2.399 . 3.518 2.925 2.204 3.216 . 0 0 "[ . 1 . 2]" 3
1924 1 65 SER H 1 83 ASP HB2 2.743 . 3.684 2.806 2.501 3.219 . 0 0 "[ . 1 . 2]" 3
1925 1 64 LEU HB2 1 65 SER H 2.817 . 3.809 3.003 2.352 3.234 . 0 0 "[ . 1 . 2]" 3
1926 1 65 SER H 1 65 SER HA 2.281 . 2.931 2.839 2.796 2.894 . 0 0 "[ . 1 . 2]" 3
1927 1 65 SER H 1 65 SER HB2 2.475 . 3.241 2.677 2.337 3.390 0.149 15 0 "[ . 1 . 2]" 3
1928 1 35 GLY HA2 1 39 TRP HE1 3.110 . 5.469 5.292 4.836 5.695 0.226 14 0 "[ . 1 . 2]" 3
1929 1 13 GLN HG2 1 14 CYS H 2.833 . 3.837 2.251 1.812 3.421 0.017 8 0 "[ . 1 . 2]" 3
1930 1 14 CYS H 1 20 ILE HG13 3.110 . 6.419 5.536 4.349 6.407 . 0 0 "[ . 1 . 2]" 3
1931 1 14 CYS H 1 14 CYS HB2 2.648 . 3.525 2.681 2.522 2.898 . 0 0 "[ . 1 . 2]" 3
1932 1 13 GLN HG3 1 14 CYS H 3.050 . 4.613 3.434 2.972 4.463 . 0 0 "[ . 1 . 2]" 3
1933 1 14 CYS H 1 18 THR HB 3.144 . 5.080 4.019 3.372 5.110 0.030 20 0 "[ . 1 . 2]" 3
1934 1 14 CYS H 1 19 CYS HA 2.833 . 3.837 3.045 2.553 3.470 . 0 0 "[ . 1 . 2]" 3
1935 1 14 CYS H 1 14 CYS HB3 2.833 . 3.837 3.668 3.523 3.819 . 0 0 "[ . 1 . 2]" 3
1936 1 62 HIS H 1 62 HIS HB3 2.359 . 3.055 2.634 2.431 2.977 . 0 0 "[ . 1 . 2]" 3
1937 1 62 HIS H 1 62 HIS HB2 2.438 . 3.181 2.823 2.655 2.997 . 0 0 "[ . 1 . 2]" 3
1938 1 13 GLN H 1 13 GLN HB3 2.628 . 3.491 2.729 2.573 3.050 . 0 0 "[ . 1 . 2]" 3
1939 1 13 GLN H 1 13 GLN HB2 2.693 . 3.599 2.585 2.168 2.782 . 0 0 "[ . 1 . 2]" 3
1940 1 7 CYS HB2 1 13 GLN H 2.833 . 3.837 3.204 1.989 3.849 0.012 9 0 "[ . 1 . 2]" 3
1941 1 12 PHE HA 1 13 GLN H 2.270 . 2.914 2.280 2.157 2.685 . 0 0 "[ . 1 . 2]" 3
1942 1 69 ILE MD 1 80 ASP H 3.079 . 4.464 4.228 4.087 4.557 0.093 19 0 "[ . 1 . 2]" 3
1943 1 80 ASP H 1 87 GLU HG3 2.572 . 4.649 4.505 4.280 4.749 0.100 7 0 "[ . 1 . 2]" 3
1944 1 80 ASP H 1 80 ASP HB2 2.599 . 3.443 2.471 2.349 2.575 . 0 0 "[ . 1 . 2]" 3
1945 1 80 ASP H 1 84 LYS HA 3.110 . 4.719 3.751 3.508 4.030 . 0 0 "[ . 1 . 2]" 3
1946 1 80 ASP H 1 80 ASP HA 2.705 . 3.620 2.941 2.924 2.946 . 0 0 "[ . 1 . 2]" 3
1947 1 80 ASP H 1 81 CYS HB3 3.570 . 5.163 4.224 3.914 5.146 . 0 0 "[ . 1 . 2]" 3
1948 1 20 ILE MD 1 31 ASP H 3.079 . 4.264 4.053 3.749 4.574 0.310 18 0 "[ . 1 . 2]" 3
1949 1 82 LYS H 1 82 LYS HB3 2.869 . 3.898 2.502 2.443 2.581 . 0 0 "[ . 1 . 2]" 3
1950 1 82 LYS H 1 82 LYS QD 2.973 . 4.478 4.432 4.344 4.539 0.061 10 0 "[ . 1 . 2]" 3
1951 1 31 ASP H 1 37 ASP HB2 2.705 . 4.870 4.138 3.946 5.031 0.161 8 0 "[ . 1 . 2]" 3
1952 1 31 ASP H 1 31 ASP HB2 2.590 . 3.429 2.483 2.362 2.729 . 0 0 "[ . 1 . 2]" 3
1953 1 31 ASP H 1 38 GLU HG2 2.833 . 3.837 3.605 3.368 3.967 0.130 6 0 "[ . 1 . 2]" 3
1954 1 81 CYS HB2 1 82 LYS H 3.364 . 4.778 4.011 3.898 4.174 . 0 0 "[ . 1 . 2]" 3
1955 1 81 CYS HB3 1 82 LYS H 3.491 . 5.015 3.947 2.765 4.206 . 0 0 "[ . 1 . 2]" 3
1956 1 30 PRO HA 1 31 ASP H 2.399 . 3.118 2.224 2.124 2.678 . 0 0 "[ . 1 . 2]" 3
1957 1 22 GLN HE21 1 23 LEU MD1 3.263 . 4.594 3.834 3.675 4.477 . 0 0 "[ . 1 . 2]" 3
1958 1 22 GLN HE22 1 23 LEU MD1 3.491 . 5.015 5.072 4.989 5.143 0.128 4 0 "[ . 1 . 2]" 3
1959 1 22 GLN HB3 1 22 GLN HE21 3.424 . 4.889 1.972 1.943 2.022 0.016 1 0 "[ . 1 . 2]" 3
1960 1 22 GLN HE21 1 22 GLN HG3 2.869 . 3.898 3.437 2.786 3.552 . 0 0 "[ . 1 . 2]" 3
1961 1 64 LEU HB2 1 66 GLY H 3.311 . 5.481 4.991 4.698 5.112 . 0 0 "[ . 1 . 2]" 3
1962 1 64 LEU MD1 1 66 GLY H 3.424 . 5.689 4.986 4.859 5.122 . 0 0 "[ . 1 . 2]" 3
1963 1 66 GLY H 1 66 GLY HA2 2.270 . 2.914 2.338 2.302 2.389 . 0 0 "[ . 1 . 2]" 3
1964 1 77 GLY H 1 87 GLU HG2 3.364 . 5.178 4.924 4.655 5.197 0.019 9 0 "[ . 1 . 2]" 3
1965 1 76 ASP HB2 1 77 GLY H 3.079 . 4.564 4.371 3.038 4.509 . 0 0 "[ . 1 . 2]" 3
1966 1 76 ASP HB3 1 77 GLY H 3.110 . 4.319 4.310 3.702 4.469 0.150 14 0 "[ . 1 . 2]" 3
1967 1 77 GLY H 1 77 GLY HA2 2.284 . 2.936 2.390 2.308 2.684 . 0 0 "[ . 1 . 2]" 3
1968 1 77 GLY H 1 77 GLY HA3 2.404 . 3.127 2.913 2.862 2.943 . 0 0 "[ . 1 . 2]" 3
1969 1 84 LYS H 1 84 LYS HB2 2.581 . 3.414 3.131 2.591 3.234 . 0 0 "[ . 1 . 2]" 3
1970 1 81 CYS HB3 1 84 LYS H 2.887 . 3.929 2.280 1.972 3.068 . 0 0 "[ . 1 . 2]" 3
1971 1 84 LYS H 1 84 LYS HA 2.211 . 2.822 2.294 2.283 2.358 . 0 0 "[ . 1 . 2]" 3
1972 1 84 LYS H 1 84 LYS HB3 2.771 . 4.031 3.753 3.407 3.953 . 0 0 "[ . 1 . 2]" 3
1973 1 63 CYS HA 1 64 LEU H 2.389 . 3.102 2.376 2.136 3.020 . 0 0 "[ . 1 . 2]" 3
1974 1 64 LEU H 1 85 SER HB2 2.444 . 3.591 2.987 2.014 3.928 0.337 5 0 "[ . 1 . 2]" 3
1975 1 38 GLU HA 1 39 TRP H 2.730 . 3.662 3.198 2.674 3.506 . 0 0 "[ . 1 . 2]" 3
1976 1 69 ILE HB 1 70 HIS H 2.462 . 3.220 2.813 2.490 3.069 . 0 0 "[ . 1 . 2]" 3
1977 1 13 GLN HE21 1 14 CYS H 3.902 . 5.805 4.046 3.418 4.896 . 0 0 "[ . 1 . 2]" 3
1978 1 37 ASP H 1 38 GLU H 2.087 . 2.931 2.797 2.653 2.991 0.060 19 0 "[ . 1 . 2]" 3
1979 1 83 ASP H 1 85 SER H 2.463 . 6.500 4.148 3.528 4.317 . 0 0 "[ . 1 . 2]" 3
1980 1 83 ASP H 1 86 ASP H 3.902 . 6.500 6.344 5.812 6.522 0.022 13 0 "[ . 1 . 2]" 3
1981 1 82 LYS H 1 83 ASP H 2.572 . 3.399 2.815 2.591 2.888 . 0 0 "[ . 1 . 2]" 3
1982 1 11 SER H 1 12 PHE H 2.840 . 6.500 4.354 4.283 4.497 . 0 0 "[ . 1 . 2]" 3
1983 1 31 ASP H 1 37 ASP H 3.902 . 5.805 4.536 3.907 5.688 . 0 0 "[ . 1 . 2]" 3
1984 1 36 SER H 1 37 ASP H 2.406 . 3.130 2.935 2.453 3.176 0.046 13 0 "[ . 1 . 2]" 3
1985 1 15 ASN H 1 36 SER H 4.034 . 6.068 4.586 3.922 4.910 . 0 0 "[ . 1 . 2]" 3
1986 1 35 GLY H 1 36 SER H 2.984 . 4.097 2.305 1.975 2.812 . 0 0 "[ . 1 . 2]" 3
1987 1 24 TRP H 1 24 TRP HD1 2.451 . 3.202 2.239 1.926 3.121 . 0 0 "[ . 1 . 2]" 3
1988 1 12 PHE QD 1 20 ILE H 3.074 . 4.755 4.496 4.208 4.900 0.145 12 0 "[ . 1 . 2]" 3
1989 1 85 SER H 1 86 ASP H 2.197 . 6.500 2.691 2.540 2.780 . 0 0 "[ . 1 . 2]" 3
1990 1 61 PHE QE 1 86 ASP H 2.609 . 3.460 3.056 2.912 3.182 . 0 0 "[ . 1 . 2]" 3
1991 1 17 SER H 1 18 THR H 2.714 . 3.635 2.521 1.696 2.838 0.097 11 0 "[ . 1 . 2]" 3
1992 1 23 LEU H 1 24 TRP HD1 4.034 . 6.068 4.498 3.715 4.698 . 0 0 "[ . 1 . 2]" 3
1993 1 56 CYS H 1 57 SER H 2.840 . 6.500 4.383 2.997 4.622 . 0 0 "[ . 1 . 2]" 3
1994 1 28 ASN H 1 29 ASP H 1.805 . 2.612 1.864 1.608 2.030 . 0 0 "[ . 1 . 2]" 3
1995 1 86 ASP H 1 87 GLU H 1.835 . 6.500 2.853 2.751 3.244 . 0 0 "[ . 1 . 2]" 3
1996 1 31 ASP H 1 32 CYS H 1.895 . 6.500 2.271 1.958 2.969 . 0 0 "[ . 1 . 2]" 3
1997 1 57 SER H 1 60 GLU H 2.563 . 4.534 4.645 3.612 4.945 0.411 9 0 "[ . 1 . 2]" 3
1998 1 87 GLU H 1 88 GLU H 1.634 . 6.500 2.526 2.396 2.924 . 0 0 "[ . 1 . 2]" 3
1999 1 88 GLU H 1 89 ASN H 3.964 . 5.928 2.866 2.576 3.370 . 0 0 "[ . 1 . 2]" 3
2000 1 86 ASP H 1 88 GLU H 2.427 . 6.500 3.807 3.729 3.986 . 0 0 "[ . 1 . 2]" 3
2001 1 72 SER H 1 73 TRP H 3.845 . 5.693 2.599 2.567 2.641 . 0 0 "[ . 1 . 2]" 3
2002 1 76 ASP H 1 77 GLY H 1.933 . 3.000 2.406 2.020 3.122 0.122 20 0 "[ . 1 . 2]" 3
2003 1 76 ASP H 1 78 GLY H 2.159 . 6.500 3.832 3.527 4.392 . 0 0 "[ . 1 . 2]" 3
2004 1 26 CYS H 1 27 ASP H 2.260 . 6.500 2.799 2.241 3.325 . 0 0 "[ . 1 . 2]" 3
2005 1 71 SER H 1 72 SER H 2.370 . 3.072 2.674 2.591 2.822 . 0 0 "[ . 1 . 2]" 3
2006 1 61 PHE H 1 71 SER H 2.431 . 3.870 3.736 3.245 3.909 0.039 12 0 "[ . 1 . 2]" 3
2007 1 27 ASP H 1 28 ASN H 2.138 . 2.710 2.410 2.135 2.899 0.189 16 0 "[ . 1 . 2]" 3
2008 1 27 ASP H 1 29 ASP H 2.235 . 6.500 3.883 3.254 4.286 . 0 0 "[ . 1 . 2]" 3
2009 1 37 ASP H 1 39 TRP H 2.719 . 4.543 4.014 3.554 4.557 0.014 19 0 "[ . 1 . 2]" 3
2010 1 39 TRP H 1 39 TRP HE1 4.114 . 6.230 5.389 4.863 6.156 . 0 0 "[ . 1 . 2]" 3
2011 1 12 PHE H 1 22 GLN H 2.460 . 6.500 3.721 3.342 4.438 . 0 0 "[ . 1 . 2]" 3
2012 1 75 CYS H 1 76 ASP H 2.017 . 6.500 2.762 2.574 3.090 . 0 0 "[ . 1 . 2]" 3
2013 1 32 CYS H 1 35 GLY H 3.283 . 4.630 3.784 3.003 4.245 . 0 0 "[ . 1 . 2]" 3
2014 1 12 PHE H 1 12 PHE QD 2.749 . 6.500 4.313 4.225 4.492 . 0 0 "[ . 1 . 2]" 3
2015 1 12 PHE H 1 20 ILE H 2.516 . 3.707 3.058 2.662 3.306 . 0 0 "[ . 1 . 2]" 3
2016 1 63 CYS H 1 67 GLU H 2.815 . 4.505 3.299 2.321 4.242 . 0 0 "[ . 1 . 2]" 3
2017 1 62 HIS HD2 1 63 CYS H 2.003 . 6.500 2.444 1.994 3.741 . 0 0 "[ . 1 . 2]" 3
2018 1 15 ASN H 1 16 SER H 3.562 . 5.148 2.641 2.238 2.902 . 0 0 "[ . 1 . 2]" 3
2019 1 73 TRP H 1 74 ARG H 2.894 . 3.941 2.528 2.464 2.590 . 0 0 "[ . 1 . 2]" 3
2020 1 77 GLY H 1 78 GLY H 1.770 . 2.911 2.772 1.617 2.954 0.043 1 0 "[ . 1 . 2]" 3
2021 1 24 TRP H 1 25 ALA H 3.845 . 5.693 2.798 1.979 3.013 0.018 12 0 "[ . 1 . 2]" 3
2022 1 14 CYS H 1 18 THR H 2.933 . 4.508 3.178 2.614 4.672 0.164 7 0 "[ . 1 . 2]" 3
2023 1 61 PHE H 1 62 HIS H 3.173 . 4.432 4.408 4.370 4.520 0.088 10 0 "[ . 1 . 2]" 3
2024 1 7 CYS H 1 13 GLN H 3.146 . 5.083 3.772 2.982 4.697 . 0 0 "[ . 1 . 2]" 3
2025 1 64 LEU H 1 65 SER H 2.022 . 3.033 2.791 1.941 3.147 0.114 9 0 "[ . 1 . 2]" 3
2026 1 65 SER H 1 67 GLU H 2.797 . 6.500 3.932 3.534 4.955 . 0 0 "[ . 1 . 2]" 3
2027 1 80 ASP H 1 81 CYS H 1.859 . 2.691 2.293 1.864 2.711 0.020 10 0 "[ . 1 . 2]" 3
2028 1 82 LYS H 1 84 LYS H 4.114 . 6.230 4.237 4.079 4.317 . 0 0 "[ . 1 . 2]" 3
2029 1 65 SER H 1 66 GLY H 3.902 . 5.805 2.770 2.634 3.333 . 0 0 "[ . 1 . 2]" 3
2030 1 64 LEU H 1 66 GLY H 2.650 . 6.500 4.206 3.657 4.688 . 0 0 "[ . 1 . 2]" 3
2031 1 66 GLY H 1 67 GLU H 2.156 . 3.037 2.489 2.238 3.331 0.294 20 0 "[ . 1 . 2]" 3
2032 1 84 LYS H 1 85 SER H 2.150 . 3.128 2.579 2.392 3.245 0.117 20 0 "[ . 1 . 2]" 3
2033 1 84 LYS H 1 86 ASP H 2.827 . 6.500 4.485 4.276 5.218 . 0 0 "[ . 1 . 2]" 3
2034 1 64 LEU H 1 64 LEU HB2 2.495 . 3.273 2.306 2.224 2.371 . 0 0 "[ . 1 . 2]" 3
2035 1 63 CYS HB2 1 64 LEU H 2.701 . 4.063 3.196 1.993 4.193 0.130 14 0 "[ . 1 . 2]" 3
2036 1 44 ARG H 1 46 LEU QB 4.204 . 6.413 4.063 2.821 4.369 . 0 0 "[ . 1 . 2]" 3
2037 1 12 PHE H 1 13 GLN HA 3.242 . 4.556 4.191 3.694 4.460 . 0 0 "[ . 1 . 2]" 3
2038 1 13 GLN HA 1 13 GLN HE21 3.439 . 4.918 4.291 3.667 4.981 0.063 13 0 "[ . 1 . 2]" 3
2039 1 13 GLN HE21 1 13 GLN QG 2.581 . 3.414 1.986 1.894 2.146 . 0 0 "[ . 1 . 2]" 3
2040 1 7 CYS HA 1 13 GLN HE22 3.439 . 6.500 5.531 5.341 5.729 . 0 0 "[ . 1 . 2]" 3
2041 1 13 GLN HA 1 18 THR H 3.272 . 5.110 4.319 3.816 5.357 0.247 7 0 "[ . 1 . 2]" 3
2042 1 17 SER HA 1 18 THR H 2.577 . 3.407 2.565 2.393 2.726 . 0 0 "[ . 1 . 2]" 3
2043 1 7 CYS QB 1 19 CYS H 3.650 . 5.315 4.813 4.537 5.191 . 0 0 "[ . 1 . 2]" 3
2044 1 7 CYS QB 1 20 ILE H 3.197 . 4.475 3.523 3.358 3.592 . 0 0 "[ . 1 . 2]" 3
2045 1 22 GLN QB 1 23 LEU H 2.524 . 3.320 2.725 2.365 3.236 . 0 0 "[ . 1 . 2]" 3
2046 1 21 PRO QG 1 25 ALA H 3.262 . 4.592 4.414 4.246 4.659 0.067 12 0 "[ . 1 . 2]" 3
2047 1 32 CYS HA 1 36 SER H 4.265 . 6.539 4.807 4.272 5.171 . 0 0 "[ . 1 . 2]" 3
2048 1 14 CYS HA 1 37 ASP H 3.484 . 5.002 4.359 4.178 4.634 . 0 0 "[ . 1 . 2]" 3
2049 1 20 ILE MG 1 37 ASP H 3.745 . 5.498 5.092 4.872 5.282 . 0 0 "[ . 1 . 2]" 3
2050 1 36 SER HA 1 37 ASP H 3.022 . 4.163 2.801 2.593 2.998 . 0 0 "[ . 1 . 2]" 3
2051 1 25 ALA HA 1 37 ASP H 3.411 . 4.866 4.673 4.347 4.813 . 0 0 "[ . 1 . 2]" 3
2052 1 30 PRO QG 1 38 GLU H 3.111 . 4.321 4.017 3.790 4.202 . 0 0 "[ . 1 . 2]" 3
2053 1 30 PRO QD 1 38 GLU H 3.551 . 5.428 5.279 4.979 5.526 0.098 18 0 "[ . 1 . 2]" 3
2054 1 39 TRP QB 1 43 CYS H 3.180 . 4.444 4.221 3.646 4.779 0.335 7 0 "[ . 1 . 2]" 3
2055 1 42 ARG QB 1 43 CYS H 2.628 . 3.491 3.191 2.454 3.544 0.053 9 0 "[ . 1 . 2]" 3
2056 1 43 CYS H 1 44 ARG QG 2.933 . 4.008 3.554 2.830 4.237 0.229 20 0 "[ . 1 . 2]" 3
2057 1 62 HIS H 1 71 SER HA 3.720 . 5.739 5.724 5.570 5.781 0.042 2 0 "[ . 1 . 2]" 3
2058 1 61 PHE QR 1 63 CYS H 3.589 . 5.199 4.231 3.932 4.388 . 0 0 "[ . 1 . 2]" 3
2059 1 68 CYS H 1 68 CYS HA 2.506 . 3.291 2.599 2.571 2.621 . 0 0 "[ . 1 . 2]" 3
2060 1 12 PHE HA 1 20 ILE H 3.454 . 4.945 4.638 4.513 4.988 0.043 7 0 "[ . 1 . 2]" 3
2061 1 12 PHE QD 1 20 ILE H 3.484 . 5.002 3.781 3.563 4.027 . 0 0 "[ . 1 . 2]" 3
2062 1 13 GLN QB 1 20 ILE H 3.772 . 5.550 4.579 4.172 4.734 . 0 0 "[ . 1 . 2]" 3
2063 1 59 PHE HA 1 71 SER H 3.360 . 4.771 4.623 4.466 4.888 0.117 17 0 "[ . 1 . 2]" 3
2064 1 44 ARG H 1 44 ARG QD 3.589 . 5.199 2.750 1.999 3.895 . 0 0 "[ . 1 . 2]" 3
2065 1 52 ASP H 1 52 ASP HA 2.570 . 3.395 2.426 2.191 2.602 . 0 0 "[ . 1 . 2]" 3
2066 1 74 ARG HA 1 75 CYS H 2.026 . 2.539 1.973 1.958 2.051 . 0 0 "[ . 1 . 2]" 3
2067 1 75 CYS H 1 77 GLY QA 4.265 . 6.539 5.503 5.292 5.777 . 0 0 "[ . 1 . 2]" 3
2068 1 74 ARG QD 1 76 ASP H 3.156 . 6.500 5.081 4.985 5.288 . 0 0 "[ . 1 . 2]" 3
2069 1 80 ASP H 1 81 CYS QB 3.045 . 4.204 3.752 3.598 4.017 . 0 0 "[ . 1 . 2]" 3
2070 1 65 SER QB 1 84 LYS H 2.933 . 4.308 3.888 3.380 4.328 0.020 20 0 "[ . 1 . 2]" 3
2071 1 64 LEU MD2 1 85 SER H 3.272 . 4.610 3.955 3.642 4.096 . 0 0 "[ . 1 . 2]" 3
2072 1 63 CYS HA 1 85 SER H 3.336 . 4.727 4.288 3.943 4.817 0.090 19 0 "[ . 1 . 2]" 3
2073 1 81 CYS HA 1 86 ASP H 3.252 . 6.500 5.220 5.170 5.268 . 0 0 "[ . 1 . 2]" 3
2074 1 84 LYS QD 1 86 ASP H 3.180 . 4.844 4.807 4.706 4.906 0.062 20 0 "[ . 1 . 2]" 3
2075 1 69 ILE QG 1 86 ASP H 3.629 . 5.275 4.077 3.908 4.269 . 0 0 "[ . 1 . 2]" 3
2076 1 56 CYS H 1 68 CYS QB 3.589 . 5.199 5.003 4.098 5.315 0.116 1 0 "[ . 1 . 2]" 3
2077 1 55 PRO HA 1 56 CYS H 2.999 . 4.123 3.189 2.975 3.510 . 0 0 "[ . 1 . 2]" 3
2078 1 65 SER HB2 1 82 LYS QD 2.795 . 3.772 2.776 2.419 3.089 . 0 0 "[ . 1 . 2]" 3
2079 1 13 GLN HA 1 18 THR HA 2.715 . 6.500 4.316 3.725 4.470 . 0 0 "[ . 1 . 2]" 3
2080 1 65 SER HB3 1 83 ASP HB3 2.518 . 3.311 3.063 2.205 3.398 0.087 6 0 "[ . 1 . 2]" 3
2081 1 64 LEU HB2 1 85 SER QB 2.424 . 3.308 2.409 1.946 3.013 . 0 0 "[ . 1 . 2]" 3
2082 1 6 THR HB 1 13 GLN HG2 3.773 . 5.553 3.122 1.957 3.614 0.036 20 0 "[ . 1 . 2]" 3
2083 1 6 THR HB 1 6 THR MG 1.858 . 2.290 1.861 1.846 1.882 . 0 0 "[ . 1 . 2]" 3
2084 1 4 VAL MG2 1 6 THR HB 3.021 . 4.162 3.759 3.308 4.286 0.124 20 0 "[ . 1 . 2]" 3
2085 1 18 THR HB 1 33 GLU QG 3.773 . 5.553 3.741 1.980 5.338 0.013 20 0 "[ . 1 . 2]" 3
2086 1 8 GLY HA3 1 11 SER QB 2.627 . 3.490 3.091 2.847 3.372 . 0 0 "[ . 1 . 2]" 3
2087 1 7 CYS HA 1 11 SER QB 2.330 . 6.500 4.108 3.930 4.443 . 0 0 "[ . 1 . 2]" 3
2088 1 9 PRO HB3 1 11 SER QB 3.259 . 6.500 5.872 5.667 6.224 . 0 0 "[ . 1 . 2]" 3
2089 1 11 SER QB 1 20 ILE MG 3.137 . 6.500 5.282 4.905 5.518 . 0 0 "[ . 1 . 2]" 3
2090 1 39 TRP HD1 1 40 PRO HA 3.671 . 6.500 5.986 5.722 6.140 . 0 0 "[ . 1 . 2]" 3
2091 1 56 CYS HA 1 57 SER HB2 3.712 . 5.435 4.381 4.099 4.499 . 0 0 "[ . 1 . 2]" 3
2092 1 5 LEU MD2 1 9 PRO HA 3.684 . 6.500 6.348 5.119 6.632 0.132 9 0 "[ . 1 . 2]" 3
2093 1 3 PRO HA 1 4 VAL MG1 2.738 . 3.675 3.731 3.699 3.779 0.104 7 0 "[ . 1 . 2]" 3
2094 1 3 PRO HA 1 3 PRO HD3 2.852 . 3.869 3.212 3.192 3.234 . 0 0 "[ . 1 . 2]" 3
2095 1 79 PRO HA 1 79 PRO HB3 2.240 . 2.867 2.305 2.298 2.311 . 0 0 "[ . 1 . 2]" 3
2096 1 16 SER HB2 1 34 ASP HB3 2.405 . 3.128 2.084 1.966 2.306 . 0 0 "[ . 1 . 2]" 3
2097 1 54 SER HB3 1 56 CYS HA 4.037 . 6.074 4.791 4.212 5.400 . 0 0 "[ . 1 . 2]" 3
2098 1 52 ASP QB 1 53 SER QB 3.170 . 4.426 4.067 3.217 4.565 0.139 8 0 "[ . 1 . 2]" 3
2099 1 2 SER QB 1 3 PRO HB3 3.474 . 4.983 5.105 5.057 5.115 0.132 7 0 "[ . 1 . 2]" 3
2100 1 2 SER HB3 1 3 PRO HB3 3.307 . 4.674 4.261 3.640 4.675 0.001 19 0 "[ . 1 . 2]" 3
2101 1 16 SER HB2 1 33 GLU HG3 3.225 . 4.525 2.670 1.982 3.469 . 0 0 "[ . 1 . 2]" 3
2102 1 2 SER QB 1 3 PRO HB2 3.231 . 4.786 4.894 4.880 4.920 0.134 19 0 "[ . 1 . 2]" 3
2103 1 2 SER QB 1 5 LEU QB 3.270 . 4.607 4.096 3.625 4.577 . 0 0 "[ . 1 . 2]" 3
2104 1 12 PHE QB 1 21 PRO HA 3.532 . 5.091 3.931 3.845 4.035 . 0 0 "[ . 1 . 2]" 3
2105 1 21 PRO HA 1 22 GLN HB2 3.259 . 4.586 4.284 4.217 4.332 . 0 0 "[ . 1 . 2]" 3
2106 1 14 CYS HB3 1 16 SER HB3 3.327 . 4.710 3.514 3.152 3.947 . 0 0 "[ . 1 . 2]" 3
2107 1 21 PRO HA 1 24 TRP HE3 3.842 . 6.500 6.391 6.266 6.499 . 0 0 "[ . 1 . 2]" 3
2108 1 16 SER HB2 1 39 TRP HH2 3.563 . 5.150 4.880 4.301 5.131 . 0 0 "[ . 1 . 2]" 3
2109 1 64 LEU HB3 1 85 SER HB2 2.647 . 3.923 3.846 3.403 4.100 0.177 20 0 "[ . 1 . 2]" 3
2110 1 13 GLN HG3 1 18 THR HA 2.561 . 3.781 3.720 3.375 3.889 0.108 20 0 "[ . 1 . 2]" 3
2111 1 64 LEU HB2 1 65 SER HB2 3.712 . 5.435 4.288 3.898 4.537 . 0 0 "[ . 1 . 2]" 3
2112 1 60 GLU HB3 1 71 SER HB2 3.270 . 5.057 4.989 4.869 5.186 0.129 5 0 "[ . 1 . 2]" 3
2113 1 60 GLU HA 1 71 SER HB3 2.774 . 6.500 4.656 4.533 4.710 . 0 0 "[ . 1 . 2]" 3
2114 1 70 HIS HB2 1 71 SER HA 3.334 . 4.723 4.233 4.053 4.369 . 0 0 "[ . 1 . 2]" 3
2115 1 4 VAL HA 1 5 LEU QB 2.736 . 3.672 3.622 3.066 3.711 0.039 19 0 "[ . 1 . 2]" 3
2116 1 4 VAL HA 1 6 THR MG 3.155 . 4.700 4.452 4.275 4.734 0.034 14 0 "[ . 1 . 2]" 3
2117 1 4 VAL HA 1 4 VAL MG1 1.818 . 2.231 2.034 1.987 2.083 . 0 0 "[ . 1 . 2]" 3
2118 1 17 SER HA 1 17 SER QB 1.634 . 2.168 2.133 2.001 2.361 0.193 18 0 "[ . 1 . 2]" 3
2119 1 15 ASN HB2 1 17 SER HA 3.880 . 5.761 6.132 6.071 6.193 0.432 20 0 "[ . 1 . 2]" 3
2120 1 14 CYS HB2 1 17 SER HA 2.952 . 4.041 3.912 3.646 4.163 0.122 8 0 "[ . 1 . 2]" 3
2121 1 48 VAL HA 1 49 PHE QB 2.893 . 4.339 3.946 3.661 4.160 . 0 0 "[ . 1 . 2]" 3
2122 1 47 TYR HA 1 48 VAL HA 2.809 . 5.695 4.254 3.889 4.769 . 0 0 "[ . 1 . 2]" 3
2123 1 4 VAL HA 1 4 VAL HB 2.005 . 2.507 1.933 1.881 2.132 . 0 0 "[ . 1 . 2]" 3
2124 1 91 ALA MB 1 92 VAL HA 2.646 . 3.521 3.555 3.517 3.614 0.093 16 0 "[ . 1 . 2]" 3
2125 1 59 PHE QD 1 71 SER HB2 3.334 . 6.500 5.287 4.893 5.384 . 0 0 "[ . 1 . 2]" 3
2126 1 6 THR HA 1 13 GLN HG2 3.563 . 5.150 4.586 4.061 5.131 . 0 0 "[ . 1 . 2]" 3
2127 1 6 THR HA 1 7 CYS HB3 3.574 . 5.171 4.796 4.443 5.064 . 0 0 "[ . 1 . 2]" 3
2128 1 61 PHE QD 1 70 HIS HA 3.142 . 6.500 5.368 5.171 5.460 . 0 0 "[ . 1 . 2]" 3
2129 1 65 SER HB2 1 82 LYS HA 3.137 . 4.367 4.098 4.041 4.169 . 0 0 "[ . 1 . 2]" 3
2130 1 68 CYS QB 1 70 HIS HA 3.608 . 5.235 5.004 4.854 5.099 . 0 0 "[ . 1 . 2]" 3
2131 1 61 PHE HB3 1 70 HIS HA 3.620 . 5.258 4.273 4.170 4.372 . 0 0 "[ . 1 . 2]" 3
2132 1 69 ILE MD 1 70 HIS HA 3.920 . 5.841 4.780 4.726 4.904 . 0 0 "[ . 1 . 2]" 3
2133 1 60 GLU HG2 1 70 HIS HA 1.916 . 2.375 2.269 2.008 2.319 . 0 0 "[ . 1 . 2]" 3
2134 1 82 LYS HA 1 82 LYS QD 2.134 . 2.803 2.542 2.430 2.634 . 0 0 "[ . 1 . 2]" 3
2135 1 69 ILE MD 1 70 HIS HA 3.684 . 5.381 4.944 4.803 5.176 . 0 0 "[ . 1 . 2]" 3
2136 1 14 CYS HB3 1 36 SER HB3 3.698 . 5.407 3.514 3.098 4.154 . 0 0 "[ . 1 . 2]" 3
2137 1 15 ASN HA 1 36 SER HB3 3.563 . 5.150 4.136 3.967 4.360 . 0 0 "[ . 1 . 2]" 3
2138 1 36 SER HB3 1 39 TRP HB3 3.542 . 5.110 4.455 4.053 4.705 . 0 0 "[ . 1 . 2]" 3
2139 1 36 SER HA 1 39 TRP HD1 2.791 . 3.765 3.597 3.080 3.720 . 0 0 "[ . 1 . 2]" 3
2140 1 15 ASN HA 1 36 SER HB2 3.698 . 5.407 3.824 3.773 3.919 . 0 0 "[ . 1 . 2]" 3
2141 1 30 PRO HA 1 36 SER HA 4.120 . 6.242 5.950 5.759 6.146 . 0 0 "[ . 1 . 2]" 3
2142 1 35 GLY HA3 1 36 SER HA 3.236 . 4.545 4.171 4.127 4.202 . 0 0 "[ . 1 . 2]" 3
2143 1 7 CYS HB3 1 22 GLN HA 3.860 . 5.723 5.120 4.854 5.333 . 0 0 "[ . 1 . 2]" 3
2144 1 69 ILE HA 1 70 HIS HA 3.270 . 4.607 4.198 4.169 4.213 . 0 0 "[ . 1 . 2]" 3
2145 1 67 GLU HG2 1 69 ILE HA 3.465 . 4.966 4.547 4.362 4.835 . 0 0 "[ . 1 . 2]" 3
2146 1 41 GLN HA 1 42 ARG HA 2.961 . 4.057 4.044 3.954 4.129 0.072 14 0 "[ . 1 . 2]" 3
2147 1 12 PHE QB 1 20 ILE HA 3.204 . 4.937 4.877 4.760 5.038 0.101 12 0 "[ . 1 . 2]" 3
2148 1 15 ASN HA 1 39 TRP HH2 3.773 . 6.103 5.746 3.446 6.404 0.301 7 0 "[ . 1 . 2]" 3
2149 1 64 LEU HA 1 85 SER QB 3.018 . 6.500 4.351 3.652 4.893 . 0 0 "[ . 1 . 2]" 3
2150 1 63 CYS HB3 1 64 LEU HA 4.063 . 6.127 4.850 4.125 5.219 . 0 0 "[ . 1 . 2]" 3
2151 1 47 TYR HA 1 48 VAL MG2 2.415 . 5.394 3.383 3.017 3.721 . 0 0 "[ . 1 . 2]" 3
2152 1 46 LEU QB 1 47 TYR HA 3.137 . 4.367 3.866 3.637 4.131 . 0 0 "[ . 1 . 2]" 3
2153 1 52 ASP QB 1 53 SER HA 3.456 . 4.949 4.372 3.784 5.170 0.221 15 0 "[ . 1 . 2]" 3
2154 1 2 SER HA 1 2 SER HB3 1.807 . 2.215 2.194 2.078 2.222 0.007 19 0 "[ . 1 . 2]" 3
2155 1 69 ILE MD 1 80 ASP HA 2.785 . 4.255 4.293 4.037 4.476 0.221 19 0 "[ . 1 . 2]" 3
2156 1 20 ILE MG 1 31 ASP HA 2.599 . 4.143 3.543 2.444 4.413 0.270 14 0 "[ . 1 . 2]" 3
2157 1 20 ILE HG13 1 31 ASP HA 3.225 . 6.500 6.526 6.349 6.647 0.147 12 0 "[ . 1 . 2]" 3
2158 1 2 SER HA 1 3 PRO QG 2.590 . 3.628 3.668 3.598 3.723 0.095 18 0 "[ . 1 . 2]" 3
2159 1 2 SER HA 1 3 PRO HB3 3.035 . 4.586 4.741 4.710 4.762 0.176 5 0 "[ . 1 . 2]" 3
2160 1 75 CYS HA 1 86 ASP HB2 2.985 . 4.099 3.618 3.435 3.797 . 0 0 "[ . 1 . 2]" 3
2161 1 74 ARG HG3 1 75 CYS HA 3.103 . 6.500 5.004 4.629 5.194 . 0 0 "[ . 1 . 2]" 3
2162 1 58 ALA HA 1 59 PHE HA 2.908 . 4.315 4.401 4.313 4.475 0.160 17 0 "[ . 1 . 2]" 3
2163 1 26 CYS HA 1 37 ASP HB3 2.888 . 4.230 4.004 3.638 4.267 0.037 6 0 "[ . 1 . 2]" 3
2164 1 42 ARG QB 1 43 CYS HA 3.574 . 5.171 4.255 3.803 4.540 . 0 0 "[ . 1 . 2]" 3
2165 1 40 PRO HA 1 43 CYS HA 3.057 . 4.625 4.586 4.219 4.844 0.219 20 0 "[ . 1 . 2]" 3
2166 1 60 GLU HB2 1 61 PHE HA 2.890 . 4.434 4.165 4.053 4.333 . 0 0 "[ . 1 . 2]" 3
2167 1 16 SER HB2 1 32 CYS HA 3.072 . 6.500 5.824 5.535 6.045 . 0 0 "[ . 1 . 2]" 3
2168 1 14 CYS HB3 1 32 CYS HA 2.577 . 6.500 4.188 3.914 4.872 . 0 0 "[ . 1 . 2]" 3
2169 1 74 ARG HA 1 74 ARG HG3 2.570 . 6.500 2.782 2.622 2.851 . 0 0 "[ . 1 . 2]" 3
2170 1 69 ILE MD 1 74 ARG HA 2.121 . 2.683 2.467 2.404 2.534 . 0 0 "[ . 1 . 2]" 3
2171 1 74 ARG HA 1 75 CYS HA 3.270 . 4.607 4.025 4.003 4.095 . 0 0 "[ . 1 . 2]" 3
2172 1 13 GLN HA 1 14 CYS HA 3.282 . 4.629 3.972 3.864 4.185 . 0 0 "[ . 1 . 2]" 3
2173 1 45 GLY QA 1 46 LEU HA 3.075 . 4.257 3.654 3.524 3.755 . 0 0 "[ . 1 . 2]" 3
2174 1 6 THR MG 1 14 CYS HA 3.399 . 4.843 4.566 3.832 4.913 0.070 17 0 "[ . 1 . 2]" 3
2175 1 63 CYS HA 1 66 GLY HA2 3.137 . 5.317 4.964 4.536 5.375 0.058 12 0 "[ . 1 . 2]" 3
2176 1 5 LEU HA 1 6 THR MG 2.898 . 4.498 4.484 4.265 4.721 0.223 19 0 "[ . 1 . 2]" 3
2177 1 4 VAL HA 1 5 LEU HA 2.828 . 3.828 3.834 3.772 3.904 0.076 5 0 "[ . 1 . 2]" 3
2178 1 69 ILE HG12 1 73 TRP HA 4.151 . 6.500 6.386 6.179 6.451 . 0 0 "[ . 1 . 2]" 3
2179 1 18 THR HA 1 19 CYS HA 3.608 . 5.235 4.111 3.992 4.326 . 0 0 "[ . 1 . 2]" 3
2180 1 12 PHE QE 1 19 CYS HA 3.964 . 5.928 5.014 4.852 5.167 . 0 0 "[ . 1 . 2]" 3
2181 1 13 GLN HB2 1 19 CYS HA 2.949 . 4.036 3.848 3.287 4.027 . 0 0 "[ . 1 . 2]" 3
2182 1 13 GLN HG3 1 19 CYS HA 2.885 . 3.926 3.198 2.424 3.710 . 0 0 "[ . 1 . 2]" 3
2183 1 60 GLU HB2 1 68 CYS HA 2.864 . 4.189 4.122 4.041 4.230 0.041 7 0 "[ . 1 . 2]" 3
2184 1 89 ASN HA 1 89 ASN QB 1.776 . 2.170 2.178 2.166 2.183 0.013 16 0 "[ . 1 . 2]" 3
2185 1 6 THR MG 1 7 CYS HA 3.563 . 5.150 5.112 4.944 5.340 0.190 20 0 "[ . 1 . 2]" 3
2186 1 60 GLU HA 1 60 GLU HB3 2.558 . 3.376 2.428 2.395 2.504 . 0 0 "[ . 1 . 2]" 3
2187 1 60 GLU HA 1 69 ILE MD 3.806 . 5.617 4.218 4.064 4.476 . 0 0 "[ . 1 . 2]" 3
2188 1 59 PHE HB3 1 60 GLU HA 3.384 . 4.815 4.342 3.805 4.634 . 0 0 "[ . 1 . 2]" 3
2189 1 6 THR HB 1 7 CYS HA 2.878 . 4.213 3.937 3.517 4.457 0.244 11 0 "[ . 1 . 2]" 3
2190 1 59 PHE QD 1 60 GLU HA 3.483 . 6.500 5.292 5.149 5.354 . 0 0 "[ . 1 . 2]" 3
2191 1 6 THR MG 1 13 GLN HA 3.288 . 4.640 4.025 3.841 4.209 . 0 0 "[ . 1 . 2]" 3
2192 1 13 GLN HA 1 20 ILE MD 3.107 . 4.514 4.307 3.951 4.551 0.037 16 0 "[ . 1 . 2]" 3
2193 1 23 LEU HA 1 24 TRP HA 3.415 . 4.872 4.305 4.064 4.585 . 0 0 "[ . 1 . 2]" 3
2194 1 24 TRP HA 1 24 TRP HB2 2.166 . 2.753 2.352 2.298 2.639 . 0 0 "[ . 1 . 2]" 3
2195 1 20 ILE HB 1 24 TRP HA 3.075 . 4.757 4.373 4.300 4.422 . 0 0 "[ . 1 . 2]" 3
2196 1 24 TRP HA 1 31 ASP HB2 3.231 . 4.536 4.273 3.952 4.576 0.040 12 0 "[ . 1 . 2]" 3
2197 1 26 CYS HB2 1 37 ASP HA 3.376 . 4.801 4.188 3.845 4.623 . 0 0 "[ . 1 . 2]" 3
2198 1 20 ILE MD 1 37 ASP HA 2.321 . 3.294 2.973 2.742 3.169 . 0 0 "[ . 1 . 2]" 3
2199 1 32 CYS HB3 1 37 ASP HA 3.727 . 5.463 5.048 4.779 5.299 . 0 0 "[ . 1 . 2]" 3
2200 1 57 SER QB 1 58 ALA HA 3.340 . 4.735 4.488 4.326 4.730 . 0 0 "[ . 1 . 2]" 3
2201 1 39 TRP HA 1 40 PRO QG 2.707 . 3.823 3.823 3.767 3.858 0.035 5 0 "[ . 1 . 2]" 3
2202 1 20 ILE MD 1 38 GLU HA 3.942 . 5.884 5.326 4.919 5.589 . 0 0 "[ . 1 . 2]" 3
2203 1 30 PRO HB3 1 38 GLU HA 3.474 . 4.983 4.127 3.977 4.623 . 0 0 "[ . 1 . 2]" 3
2204 1 25 ALA HA 1 38 GLU HA 4.037 . 6.074 5.251 4.685 5.590 . 0 0 "[ . 1 . 2]" 3
2205 1 62 HIS HA 1 69 ILE MD 4.063 . 6.127 4.689 4.392 4.980 . 0 0 "[ . 1 . 2]" 3
2206 1 60 GLU HB3 1 62 HIS HA 3.742 . 5.492 5.488 5.240 5.608 0.116 10 0 "[ . 1 . 2]" 3
2207 1 55 PRO HG2 1 62 HIS HA 3.824 . 5.652 3.951 3.621 4.299 . 0 0 "[ . 1 . 2]" 3
2208 1 62 HIS HA 1 64 LEU HA 3.773 . 5.553 5.515 5.124 5.653 0.100 12 0 "[ . 1 . 2]" 3
2209 1 60 GLU HB3 1 62 HIS HA 3.824 . 5.652 5.558 5.424 5.771 0.119 19 0 "[ . 1 . 2]" 3
2210 1 55 PRO HD3 1 62 HIS HA 3.354 . 4.760 4.591 4.337 5.098 0.338 19 0 "[ . 1 . 2]" 3
2211 1 60 GLU HB2 1 62 HIS HA 3.608 . 5.235 4.537 4.241 4.820 . 0 0 "[ . 1 . 2]" 3
2212 1 61 PHE QD 1 62 HIS HA 3.824 . 5.652 4.336 4.165 4.446 . 0 0 "[ . 1 . 2]" 3
2213 1 24 TRP HB2 1 25 ALA HA 3.483 . 5.000 3.770 3.689 3.957 . 0 0 "[ . 1 . 2]" 3
2214 1 12 PHE HA 1 25 ALA HA 3.920 . 6.241 6.073 5.819 6.338 0.097 7 0 "[ . 1 . 2]" 3
2215 1 10 ALA HA 1 10 ALA MB 1.668 . 2.016 1.873 1.866 1.882 . 0 0 "[ . 1 . 2]" 3
2216 1 10 ALA HA 1 22 GLN QG 2.785 . 6.500 4.515 4.198 4.797 . 0 0 "[ . 1 . 2]" 3
2217 1 64 LEU QD 1 83 ASP HA 3.474 . 6.500 5.402 4.834 5.692 . 0 0 "[ . 1 . 2]" 3
2218 1 82 LYS HB3 1 83 ASP HA 2.938 . 4.017 4.011 3.847 4.085 0.068 20 0 "[ . 1 . 2]" 3
2219 1 23 LEU QB 1 27 ASP HA 2.857 . 6.500 3.386 2.909 4.239 . 0 0 "[ . 1 . 2]" 3
2220 1 27 ASP HA 1 28 ASN HA 2.565 . 6.500 3.696 3.410 3.778 . 0 0 "[ . 1 . 2]" 3
2221 1 20 ILE MD 1 27 ASP HA 3.199 . 6.500 5.679 5.430 5.923 . 0 0 "[ . 1 . 2]" 3
2222 1 55 PRO HG3 1 56 CYS HA 2.828 . 4.528 4.047 3.563 4.349 . 0 0 "[ . 1 . 2]" 3
2223 1 56 CYS HA 1 57 SER HA 3.001 . 4.127 3.904 3.879 4.075 . 0 0 "[ . 1 . 2]" 3
2224 1 36 SER HA 1 40 PRO HD3 4.120 . 6.242 5.912 5.678 6.048 . 0 0 "[ . 1 . 2]" 3
2225 1 30 PRO HD3 1 30 PRO HG2 2.258 . 2.896 2.496 2.492 2.502 . 0 0 "[ . 1 . 2]" 3
2226 1 3 PRO HD2 1 4 VAL MG2 3.320 . 4.698 4.615 4.406 4.721 0.023 18 0 "[ . 1 . 2]" 3
2227 1 3 PRO HA 1 3 PRO HD2 2.883 . 3.922 3.556 3.546 3.565 . 0 0 "[ . 1 . 2]" 3
2228 1 30 PRO HD3 1 38 GLU HB2 3.842 . 5.687 4.578 4.134 5.405 . 0 0 "[ . 1 . 2]" 3
2229 1 21 PRO HD3 1 24 TRP HE3 3.018 . 6.500 4.444 4.152 4.587 . 0 0 "[ . 1 . 2]" 3
2230 1 20 ILE MG 1 21 PRO HD3 2.482 . 6.500 4.082 4.021 4.131 . 0 0 "[ . 1 . 2]" 3
2231 1 20 ILE HG13 1 21 PRO HD3 3.407 . 6.500 4.904 4.782 5.041 . 0 0 "[ . 1 . 2]" 3
2232 1 12 PHE QB 1 21 PRO HD3 3.757 . 6.122 5.907 5.762 6.039 . 0 0 "[ . 1 . 2]" 3
2233 1 19 CYS HB2 1 21 PRO HD2 3.620 . 6.058 5.868 5.374 6.035 . 0 0 "[ . 1 . 2]" 3
2234 1 20 ILE MD 1 35 GLY HA2 4.037 . 6.074 5.318 5.098 5.496 . 0 0 "[ . 1 . 2]" 3
2235 1 29 ASP HA 1 35 GLY HA3 3.900 . 6.500 5.682 4.839 6.448 . 0 0 "[ . 1 . 2]" 3
2236 1 45 GLY QA 1 46 LEU QB 3.095 . 4.542 4.546 4.401 4.682 0.140 17 0 "[ . 1 . 2]" 3
2237 1 44 ARG HA 1 45 GLY QA 2.710 . 3.628 3.619 3.502 3.697 0.069 10 0 "[ . 1 . 2]" 3
2238 1 75 CYS HA 1 77 GLY HA2 3.806 . 5.617 4.500 4.182 4.657 . 0 0 "[ . 1 . 2]" 3
2239 1 76 ASP HB2 1 77 GLY HA3 4.254 . 6.516 4.785 4.096 5.007 . 0 0 "[ . 1 . 2]" 3
2240 1 78 GLY HA2 1 79 PRO HG2 2.932 . 6.500 3.716 3.474 3.871 . 0 0 "[ . 1 . 2]" 3
2241 1 20 ILE MD 1 31 ASP HB3 2.525 . 3.322 3.217 2.749 3.484 0.162 10 0 "[ . 1 . 2]" 3
2242 1 31 ASP HB2 1 37 ASP HB2 3.259 . 4.586 3.859 3.572 4.189 . 0 0 "[ . 1 . 2]" 3
2243 1 31 ASP HB3 1 32 CYS HB3 3.987 . 5.974 5.321 5.098 5.920 . 0 0 "[ . 1 . 2]" 3
2244 1 6 THR HB 1 19 CYS HB3 4.217 . 6.440 6.178 5.896 6.412 . 0 0 "[ . 1 . 2]" 3
2245 1 13 GLN HA 1 19 CYS HB2 2.949 . 4.336 3.885 3.611 4.186 . 0 0 "[ . 1 . 2]" 3
2246 1 13 GLN HG2 1 19 CYS HB2 3.964 . 5.928 4.602 3.877 5.070 . 0 0 "[ . 1 . 2]" 3
2247 1 29 ASP HB2 1 30 PRO HB2 3.712 . 6.500 5.559 5.283 5.925 . 0 0 "[ . 1 . 2]" 3
2248 1 14 CYS HB3 1 32 CYS HB2 2.793 . 3.768 3.465 3.191 3.863 0.095 8 0 "[ . 1 . 2]" 3
2249 1 74 ARG HD3 1 75 CYS HA 3.369 . 5.388 5.210 5.056 5.315 . 0 0 "[ . 1 . 2]" 3
2250 1 18 THR HB 1 32 CYS HB3 3.361 . 4.773 3.581 2.919 4.666 . 0 0 "[ . 1 . 2]" 3
2251 1 32 CYS HB3 1 36 SER HB2 3.563 . 5.150 3.763 3.332 4.301 . 0 0 "[ . 1 . 2]" 3
2252 1 20 ILE MD 1 32 CYS HB3 3.532 . 5.091 3.890 3.811 3.985 . 0 0 "[ . 1 . 2]" 3
2253 1 31 ASP HB2 1 32 CYS HB3 3.824 . 5.652 4.947 4.286 5.485 . 0 0 "[ . 1 . 2]" 3
2254 1 5 LEU QB 1 5 LEU MD1 2.021 . 2.532 1.686 1.649 1.735 . 0 0 "[ . 1 . 2]" 3
2255 1 23 LEU QB 1 27 ASP HB3 3.259 . 4.586 4.025 3.737 4.294 . 0 0 "[ . 1 . 2]" 3
2256 1 5 LEU QB 1 6 THR MG 3.354 . 4.760 4.059 3.840 4.395 . 0 0 "[ . 1 . 2]" 3
2257 1 22 GLN HG2 1 23 LEU QB 3.253 . 5.176 4.556 3.921 5.336 0.160 7 0 "[ . 1 . 2]" 3
2258 1 23 LEU QB 1 24 TRP HB3 3.347 . 5.298 5.196 5.041 5.579 0.281 12 0 "[ . 1 . 2]" 3
2259 1 21 PRO HD3 1 23 LEU QB 3.574 . 5.171 4.323 4.153 4.708 . 0 0 "[ . 1 . 2]" 3
2260 1 23 LEU QB 1 24 TRP HA 3.137 . 4.367 3.481 3.298 3.686 . 0 0 "[ . 1 . 2]" 3
2261 1 23 LEU QB 1 23 LEU QD 1.754 . 2.138 1.784 1.732 1.860 . 0 0 "[ . 1 . 2]" 3
2262 1 67 GLU HG3 1 82 LYS HE3 2.888 . 3.930 3.284 2.969 3.610 . 0 0 "[ . 1 . 2]" 3
2263 1 79 PRO HB2 1 84 LYS QE 2.296 . 2.955 2.178 1.983 2.400 . 0 0 "[ . 1 . 2]" 3
2264 1 83 ASP HB3 1 85 SER QB 2.576 . 4.006 3.370 2.730 4.076 0.070 10 0 "[ . 1 . 2]" 3
2265 1 82 LYS HB3 1 83 ASP HB3 3.361 . 4.773 4.650 4.468 4.828 0.055 20 0 "[ . 1 . 2]" 3
2266 1 42 ARG HB2 1 42 ARG HD3 2.218 . 2.833 2.751 2.616 2.859 0.026 14 0 "[ . 1 . 2]" 3
2267 1 15 ASN HA 1 42 ARG HD3 3.563 . 5.950 5.714 5.451 6.015 0.065 20 0 "[ . 1 . 2]" 3
2268 1 20 ILE MD 1 27 ASP HB3 3.474 . 4.983 4.828 4.553 5.089 0.106 12 0 "[ . 1 . 2]" 3
2269 1 34 ASP HA 1 34 ASP HB2 1.912 . 2.369 2.312 2.182 2.442 0.073 17 0 "[ . 1 . 2]" 3
2270 1 52 ASP HA 1 52 ASP HB3 1.927 . 2.391 2.186 2.074 2.294 . 0 0 "[ . 1 . 2]" 3
2271 1 12 PHE QR 1 37 ASP HB2 2.752 . 3.699 3.723 3.086 3.913 0.214 12 0 "[ . 1 . 2]" 3
2272 1 7 CYS HA 1 7 CYS HB2 2.145 . 2.720 2.470 2.382 2.596 . 0 0 "[ . 1 . 2]" 3
2273 1 14 CYS HB3 1 16 SER HB3 2.619 . 4.076 3.222 2.824 4.095 0.019 20 0 "[ . 1 . 2]" 3
2274 1 14 CYS HB3 1 20 ILE MG 3.698 . 5.407 3.792 3.372 4.498 . 0 0 "[ . 1 . 2]" 3
2275 1 14 CYS HB2 1 33 GLU HB3 3.214 . 4.506 3.744 3.108 4.162 . 0 0 "[ . 1 . 2]" 3
2276 1 63 CYS HB2 1 65 SER HB3 2.519 . 4.462 3.844 3.044 4.491 0.029 7 0 "[ . 1 . 2]" 3
2277 1 14 CYS HB2 1 20 ILE HG13 3.295 . 4.652 3.222 2.768 4.050 . 0 0 "[ . 1 . 2]" 3
2278 1 14 CYS HB2 1 20 ILE MG 3.099 . 4.300 2.720 2.042 3.856 . 0 0 "[ . 1 . 2]" 3
2279 1 14 CYS HB2 1 20 ILE HG13 3.295 . 4.652 3.327 2.822 3.759 . 0 0 "[ . 1 . 2]" 3
2280 1 23 LEU QB 1 27 ASP HB3 3.632 . 5.281 3.348 2.751 3.968 . 0 0 "[ . 1 . 2]" 3
2281 1 13 GLN HG2 1 14 CYS HB2 3.146 . 4.383 3.954 3.775 4.154 . 0 0 "[ . 1 . 2]" 3
2282 1 20 ILE HB 1 31 ASP QB 3.035 . 4.186 4.045 3.772 4.244 0.058 10 0 "[ . 1 . 2]" 3
2283 1 81 CYS HB3 1 82 LYS QD 3.824 . 5.652 5.659 5.436 5.761 0.109 13 0 "[ . 1 . 2]" 3
2284 1 81 CYS HB3 1 82 LYS HB3 3.391 . 4.828 4.381 3.955 4.607 . 0 0 "[ . 1 . 2]" 3
2285 1 81 CYS HB3 1 84 LYS HB3 3.456 . 5.549 5.252 4.816 5.682 0.133 19 0 "[ . 1 . 2]" 3
2286 1 79 PRO HA 1 81 CYS HB3 3.671 . 5.355 4.783 4.565 4.942 . 0 0 "[ . 1 . 2]" 3
2287 1 81 CYS HB3 1 82 LYS HA 3.671 . 5.355 5.047 4.434 5.194 . 0 0 "[ . 1 . 2]" 3
2288 1 6 THR HB 1 7 CYS HB2 3.129 . 4.353 3.082 2.726 3.535 . 0 0 "[ . 1 . 2]" 3
2289 1 25 ALA HA 1 37 ASP HB3 2.113 . 2.671 1.953 1.878 2.115 . 0 0 "[ . 1 . 2]" 3
2290 1 43 CYS HB2 1 46 LEU HB2 3.179 . 4.442 3.164 3.022 3.293 . 0 0 "[ . 1 . 2]" 3
2291 1 32 CYS HB3 1 37 ASP HB3 3.698 . 5.407 4.552 4.081 4.750 . 0 0 "[ . 1 . 2]" 3
2292 1 7 CYS HB2 1 13 GLN HB3 3.391 . 4.828 4.334 3.303 4.856 0.028 2 0 "[ . 1 . 2]" 3
2293 1 33 GLU HB2 1 34 ASP HB2 3.276 . 4.618 4.316 4.004 4.769 0.151 12 0 "[ . 1 . 2]" 3
2294 1 48 VAL QG 1 49 PHE QB 2.819 . 4.413 3.972 3.251 4.519 0.106 15 0 "[ . 1 . 2]" 3
2295 1 48 VAL HB 1 49 PHE QB 3.439 . 4.918 4.024 3.567 4.744 . 0 0 "[ . 1 . 2]" 3
2296 1 64 LEU HB3 1 65 SER HA 2.405 . 6.500 3.753 3.297 3.952 . 0 0 "[ . 1 . 2]" 3
2297 1 46 LEU QB 1 47 TYR HB2 3.789 . 5.584 5.071 4.861 5.246 . 0 0 "[ . 1 . 2]" 3
2298 1 23 LEU HA 1 47 TYR HB2 3.645 . 6.500 5.567 4.192 6.279 . 0 0 "[ . 1 . 2]" 3
2299 1 59 PHE HB3 1 70 HIS HA 3.964 . 5.928 5.763 5.368 6.060 0.132 20 0 "[ . 1 . 2]" 3
2300 1 27 ASP HB2 1 28 ASN QB 3.112 . 4.322 3.581 3.295 4.001 . 0 0 "[ . 1 . 2]" 3
2301 1 4 VAL MG2 1 15 ASN HB3 3.942 . 6.500 6.691 6.413 6.907 0.407 18 0 "[ . 1 . 2]" 3
2302 1 56 CYS HB2 1 58 ALA HA 3.684 . 5.881 5.410 5.202 5.759 . 0 0 "[ . 1 . 2]" 3
2303 1 56 CYS HB3 1 58 ALA MB 3.860 . 6.500 6.590 6.510 6.643 0.143 7 0 "[ . 1 . 2]" 3
2304 1 26 CYS HB2 1 42 ARG QB 3.276 . 5.118 4.680 4.179 5.190 0.072 8 0 "[ . 1 . 2]" 3
2305 1 88 GLU QG 1 89 ASN HB3 3.596 . 5.763 5.790 5.669 5.941 0.178 9 0 "[ . 1 . 2]" 3
2306 1 26 CYS HA 1 26 CYS HB3 2.336 . 3.018 2.505 2.321 2.682 . 0 0 "[ . 1 . 2]" 3
2307 1 26 CYS HB3 1 38 GLU HA 3.415 . 4.872 4.108 3.808 4.896 0.024 19 0 "[ . 1 . 2]" 3
2308 1 26 CYS HB2 1 46 LEU HB2 3.301 . 4.963 4.449 3.666 5.060 0.097 6 0 "[ . 1 . 2]" 3
2309 1 26 CYS HA 1 26 CYS HB2 2.209 . 2.819 2.415 2.258 2.659 . 0 0 "[ . 1 . 2]" 3
2310 1 74 ARG HA 1 75 CYS HB2 3.742 . 5.492 4.439 4.086 4.749 . 0 0 "[ . 1 . 2]" 3
2311 1 14 CYS HB2 1 33 GLU QG 3.596 . 5.213 4.388 3.111 4.978 . 0 0 "[ . 1 . 2]" 3
2312 1 14 CYS HB2 1 33 GLU HG3 3.684 . 5.381 5.294 4.482 5.709 0.328 8 0 "[ . 1 . 2]" 3
2313 1 16 SER HB3 1 33 GLU HG3 2.308 . 3.374 3.284 3.070 3.491 0.117 12 0 "[ . 1 . 2]" 3
2314 1 33 GLU HB3 1 33 GLU HG3 1.867 . 2.303 2.369 2.284 2.488 0.185 18 0 "[ . 1 . 2]" 3
2315 1 33 GLU HB3 1 33 GLU HG2 1.882 . 2.475 2.650 2.605 2.677 0.202 14 0 "[ . 1 . 2]" 3
2316 1 30 PRO HB3 1 38 GLU HG3 3.124 . 4.344 3.825 3.477 4.106 . 0 0 "[ . 1 . 2]" 3
2317 1 26 CYS HB2 1 38 GLU HG2 3.860 . 5.723 4.959 4.681 5.054 . 0 0 "[ . 1 . 2]" 3
2318 1 13 GLN HG2 1 14 CYS HB2 3.574 . 5.171 4.190 4.000 4.624 . 0 0 "[ . 1 . 2]" 3
2319 1 12 PHE QE 1 13 GLN HG2 3.712 . 6.075 5.928 5.701 6.322 0.247 12 0 "[ . 1 . 2]" 3
2320 1 13 GLN HB3 1 13 GLN HG2 2.224 . 2.842 2.443 2.348 2.569 . 0 0 "[ . 1 . 2]" 3
2321 1 13 GLN HG2 1 14 CYS HA 3.712 . 5.435 4.338 4.081 5.003 . 0 0 "[ . 1 . 2]" 3
2322 1 59 PHE QD 1 60 GLU HB2 4.063 . 6.127 5.541 5.305 5.724 . 0 0 "[ . 1 . 2]" 3
2323 1 6 THR HB 1 13 GLN HG2 3.209 . 4.496 4.240 3.697 4.529 0.033 11 0 "[ . 1 . 2]" 3
2324 1 7 CYS HB3 1 13 GLN HG3 3.075 . 4.257 3.235 2.408 4.377 0.120 10 0 "[ . 1 . 2]" 3
2325 1 22 GLN HA 1 22 GLN QG 2.819 . 3.813 2.511 2.434 2.571 . 0 0 "[ . 1 . 2]" 3
2326 1 50 GLN QG 1 51 GLY QA 2.992 . 6.500 5.161 5.076 5.325 . 0 0 "[ . 1 . 2]" 3
2327 1 48 VAL HB 1 48 VAL QG 1.750 . 2.133 1.875 1.864 1.893 . 0 0 "[ . 1 . 2]" 3
2328 1 4 VAL HB 1 4 VAL MG1 1.861 . 2.294 1.760 1.751 1.771 . 0 0 "[ . 1 . 2]" 3
2329 1 3 PRO HB2 1 3 PRO QD 2.537 . 3.342 3.523 3.522 3.525 0.183 19 0 "[ . 1 . 2]" 3
2330 1 8 GLY QA 1 9 PRO HB3 2.767 . 6.500 4.712 4.609 4.806 . 0 0 "[ . 1 . 2]" 3
2331 1 82 LYS HB2 1 82 LYS HG2 2.008 . 2.512 2.073 2.058 2.106 . 0 0 "[ . 1 . 2]" 3
2332 1 82 LYS HA 1 82 LYS HB2 2.043 . 2.565 1.921 1.873 2.109 . 0 0 "[ . 1 . 2]" 3
2333 1 30 PRO HB3 1 34 ASP HB3 4.037 . 6.374 6.235 5.680 6.496 0.122 19 0 "[ . 1 . 2]" 3
2334 1 29 ASP HB3 1 30 PRO HB3 3.671 . 5.355 5.180 4.975 5.276 . 0 0 "[ . 1 . 2]" 3
2335 1 55 PRO HA 1 55 PRO HB3 1.870 . 2.307 2.169 2.152 2.186 . 0 0 "[ . 1 . 2]" 3
2336 1 70 HIS HB2 1 72 SER QB 2.519 . 3.312 2.575 2.515 2.699 . 0 0 "[ . 1 . 2]" 3
2337 1 38 GLU HB3 1 38 GLU HG2 2.235 . 2.860 2.678 2.671 2.681 . 0 0 "[ . 1 . 2]" 3
2338 1 32 CYS HB2 1 38 GLU HB3 3.824 . 5.652 4.850 4.504 5.237 . 0 0 "[ . 1 . 2]" 3
2339 1 28 ASN HA 1 38 GLU HB3 3.574 . 5.171 4.581 4.231 4.853 . 0 0 "[ . 1 . 2]" 3
2340 1 61 PHE HB3 1 74 ARG HB2 2.567 . 3.391 2.955 2.812 3.177 . 0 0 "[ . 1 . 2]" 3
2341 1 61 PHE HA 1 74 ARG HB2 3.920 . 5.841 5.037 4.900 5.224 . 0 0 "[ . 1 . 2]" 3
2342 1 61 PHE HB3 1 74 ARG HB3 2.495 . 3.273 2.607 2.527 2.763 . 0 0 "[ . 1 . 2]" 3
2343 1 71 SER HA 1 74 ARG HB3 2.551 . 3.365 2.934 2.863 2.992 . 0 0 "[ . 1 . 2]" 3
2344 1 61 PHE HB2 1 74 ARG HB3 2.888 . 3.930 3.804 3.679 4.000 0.070 20 0 "[ . 1 . 2]" 3
2345 1 20 ILE HG13 1 24 TRP HB3 3.712 . 5.435 4.264 4.109 4.461 . 0 0 "[ . 1 . 2]" 3
2346 1 20 ILE HG13 1 24 TRP HB2 3.483 . 5.000 3.240 3.113 3.364 . 0 0 "[ . 1 . 2]" 3
2347 1 69 ILE HA 1 73 TRP HB2 3.920 . 5.841 4.649 4.339 4.880 . 0 0 "[ . 1 . 2]" 3
2348 1 73 TRP HB2 1 80 ASP QB 3.552 . 5.129 3.888 3.674 4.297 . 0 0 "[ . 1 . 2]" 3
2349 1 39 TRP HB3 1 41 GLN QB 2.822 . 3.817 3.754 3.305 3.887 0.070 17 0 "[ . 1 . 2]" 3
2350 1 37 ASP HA 1 39 TRP HB2 3.046 . 4.205 4.227 4.087 4.283 0.078 15 0 "[ . 1 . 2]" 3
2351 1 7 CYS HA 1 13 GLN HB2 2.280 . 2.930 2.519 2.345 2.607 . 0 0 "[ . 1 . 2]" 3
2352 1 82 LYS QD 1 82 LYS HE2 2.040 . 2.560 1.926 1.910 1.954 . 0 0 "[ . 1 . 2]" 3
2353 1 28 ASN HA 1 38 GLU HB2 3.120 . 5.237 5.014 4.869 5.160 . 0 0 "[ . 1 . 2]" 3
2354 1 21 PRO HB3 1 21 PRO HD3 3.376 . 4.801 2.835 2.463 3.000 . 0 0 "[ . 1 . 2]" 3
2355 1 81 CYS HB2 1 82 LYS HB3 3.431 . 4.902 4.859 4.644 5.018 0.116 8 0 "[ . 1 . 2]" 3
2356 1 65 SER HB2 1 82 LYS QD 3.220 . 4.516 2.784 2.421 3.099 . 0 0 "[ . 1 . 2]" 3
2357 1 39 TRP HD1 1 40 PRO QG 3.184 . 5.101 5.004 4.748 5.125 0.024 14 0 "[ . 1 . 2]" 3
2358 1 21 PRO HG3 1 24 TRP HE3 3.465 . 4.966 4.418 4.134 4.539 . 0 0 "[ . 1 . 2]" 3
2359 1 4 VAL MG2 1 13 GLN HB2 3.620 . 5.258 4.954 4.424 5.262 0.004 19 0 "[ . 1 . 2]" 3
2360 1 33 GLU QB 1 33 GLU HG3 1.932 . 2.399 2.150 2.130 2.161 . 0 0 "[ . 1 . 2]" 3
2361 1 16 SER HB3 1 33 GLU HB3 2.029 . 2.644 2.457 2.013 2.767 0.123 11 0 "[ . 1 . 2]" 3
2362 1 42 ARG HB2 1 46 LEU QD 3.596 . 5.213 4.595 4.173 5.103 . 0 0 "[ . 1 . 2]" 3
2363 1 67 GLU HB2 1 69 ILE HG12 3.137 . 6.167 6.106 5.224 6.321 0.154 15 0 "[ . 1 . 2]" 3
2364 1 67 GLU HB2 1 67 GLU QG 2.286 . 2.939 2.422 2.220 2.517 . 0 0 "[ . 1 . 2]" 3
2365 1 20 ILE MD 1 21 PRO HG2 3.448 . 4.934 3.545 3.494 3.600 . 0 0 "[ . 1 . 2]" 3
2366 1 21 PRO HB3 1 21 PRO HG2 2.105 . 2.659 2.240 2.227 2.248 . 0 0 "[ . 1 . 2]" 3
2367 1 21 PRO HB3 1 21 PRO HG3 2.218 . 2.833 2.170 2.161 2.182 . 0 0 "[ . 1 . 2]" 3
2368 1 12 PHE QB 1 21 PRO HG3 3.806 . 6.500 6.343 6.053 6.470 . 0 0 "[ . 1 . 2]" 3
2369 1 33 GLU HB3 1 34 ASP HB3 3.107 . 4.314 3.565 3.178 3.921 . 0 0 "[ . 1 . 2]" 3
2370 1 32 CYS HB3 1 33 GLU HB3 2.976 . 4.083 4.138 3.865 4.256 0.173 5 0 "[ . 1 . 2]" 3
2371 1 29 ASP HA 1 30 PRO HG2 2.750 . 6.500 3.989 3.956 4.013 . 0 0 "[ . 1 . 2]" 3
2372 1 15 ASN HA 1 42 ARG HG3 3.465 . 4.966 4.388 4.050 4.725 . 0 0 "[ . 1 . 2]" 3
2373 1 55 PRO HG3 1 56 CYS HA 3.742 . 5.492 5.198 4.782 5.710 0.218 20 0 "[ . 1 . 2]" 3
2374 1 23 LEU QD 1 23 LEU HG 1.928 . 2.393 1.876 1.866 1.887 . 0 0 "[ . 1 . 2]" 3
2375 1 5 LEU QD 1 5 LEU HG 2.139 . 2.711 1.877 1.868 1.894 . 0 0 "[ . 1 . 2]" 3
2376 1 46 LEU QD 1 46 LEU HG 2.035 . 2.553 1.868 1.856 1.890 . 0 0 "[ . 1 . 2]" 3
2377 1 16 SER HB3 1 33 GLU HB3 1.919 . 2.379 1.998 1.853 2.071 . 0 0 "[ . 1 . 2]" 3
2378 1 33 GLU HB3 1 34 ASP HA 3.155 . 4.400 3.827 3.608 4.281 . 0 0 "[ . 1 . 2]" 3
2379 1 3 PRO QD 1 3 PRO QG 1.924 . 2.387 1.975 1.973 1.976 . 0 0 "[ . 1 . 2]" 3
2380 1 8 GLY QA 1 9 PRO QG 2.184 . 6.500 3.673 3.612 3.727 . 0 0 "[ . 1 . 2]" 3
2381 1 33 GLU HB3 1 33 GLU HG3 1.912 . 2.369 2.215 2.133 2.294 . 0 0 "[ . 1 . 2]" 3
2382 1 36 SER HA 1 41 GLN QB 3.448 . 5.584 5.666 5.340 5.872 0.288 7 0 "[ . 1 . 2]" 3
2383 1 20 ILE MG 1 33 GLU HB3 3.334 . 5.023 4.773 4.199 5.020 . 0 0 "[ . 1 . 2]" 3
2384 1 42 ARG HD3 1 42 ARG HG2 2.229 . 2.850 2.181 2.138 2.222 . 0 0 "[ . 1 . 2]" 3
2385 1 12 PHE HZ 1 46 LEU HG 3.165 . 4.417 2.759 2.373 2.946 . 0 0 "[ . 1 . 2]" 3
2386 1 61 PHE HB2 1 69 ILE HG13 2.586 . 6.500 4.124 3.878 4.330 . 0 0 "[ . 1 . 2]" 3
2387 1 12 PHE HA 1 20 ILE HG12 3.288 . 5.140 4.668 4.265 5.172 0.032 14 0 "[ . 1 . 2]" 3
2388 1 12 PHE QE 1 20 ILE HG12 3.334 . 4.723 4.026 3.820 4.331 . 0 0 "[ . 1 . 2]" 3
2389 1 20 ILE HA 1 20 ILE HG13 3.004 . 4.132 3.357 3.340 3.373 . 0 0 "[ . 1 . 2]" 3
2390 1 20 ILE HG13 1 32 CYS HA 3.170 . 4.826 4.841 4.671 5.195 0.369 19 0 "[ . 1 . 2]" 3
2391 1 20 ILE HG13 1 25 ALA HA 2.935 . 4.412 3.991 3.717 4.418 0.006 7 0 "[ . 1 . 2]" 3
2392 1 20 ILE HG13 1 24 TRP HB3 3.091 . 4.285 4.277 4.054 4.414 0.129 3 0 "[ . 1 . 2]" 3
2393 1 14 CYS HB3 1 20 ILE HG13 3.632 . 5.281 3.477 2.767 5.151 . 0 0 "[ . 1 . 2]" 3
2394 1 14 CYS HB2 1 20 ILE HG13 2.783 . 4.251 3.960 3.740 4.172 . 0 0 "[ . 1 . 2]" 3
2395 1 12 PHE QB 1 20 ILE HG13 2.453 . 3.205 2.448 2.260 2.747 . 0 0 "[ . 1 . 2]" 3
2396 1 82 LYS QB 1 82 LYS HG3 2.184 . 2.780 2.137 2.130 2.161 . 0 0 "[ . 1 . 2]" 3
2397 1 82 LYS QB 1 82 LYS HG2 2.215 . 2.828 2.519 2.493 2.530 . 0 0 "[ . 1 . 2]" 3
2398 1 20 ILE HG13 1 32 CYS HB3 3.493 . 5.018 4.734 4.457 5.042 0.024 11 0 "[ . 1 . 2]" 3
2399 1 79 PRO HG3 1 84 LYS QG 2.919 . 3.984 4.023 3.936 4.119 0.135 7 0 "[ . 1 . 2]" 3
2400 1 20 ILE HA 1 20 ILE HG12 2.621 . 3.480 1.942 1.829 2.099 . 0 0 "[ . 1 . 2]" 3
2401 1 11 SER QB 1 20 ILE HG12 3.742 . 5.492 4.447 3.778 4.832 . 0 0 "[ . 1 . 2]" 3
2402 1 23 LEU MD2 1 23 LEU HG 1.827 . 2.244 1.875 1.865 1.882 . 0 0 "[ . 1 . 2]" 3
2403 1 5 LEU MD2 1 5 LEU HG 1.748 . 2.130 1.871 1.861 1.889 . 0 0 "[ . 1 . 2]" 3
2404 1 23 LEU MD2 1 27 ASP HB3 3.522 . 6.072 4.794 4.201 5.208 . 0 0 "[ . 1 . 2]" 3
2405 1 64 LEU MD2 1 65 SER HB2 3.184 . 6.500 5.707 5.152 6.187 . 0 0 "[ . 1 . 2]" 3
2406 1 23 LEU MD2 1 27 ASP HA 3.107 . 6.500 5.431 4.868 5.833 . 0 0 "[ . 1 . 2]" 3
2407 1 5 LEU MD2 1 7 CYS HB2 3.465 . 6.500 6.174 5.871 6.496 . 0 0 "[ . 1 . 2]" 3
2408 1 21 PRO HA 1 23 LEU MD1 1.812 . 6.500 3.129 3.057 3.211 . 0 0 "[ . 1 . 2]" 3
2409 1 23 LEU MD1 1 24 TRP HE3 3.220 . 6.500 6.485 6.335 6.588 0.088 3 0 "[ . 1 . 2]" 3
2410 1 5 LEU MD1 1 5 LEU HG 1.673 . 2.023 1.874 1.861 1.892 . 0 0 "[ . 1 . 2]" 3
2411 1 43 CYS HB2 1 46 LEU MD1 3.189 . 5.360 5.121 4.935 5.550 0.190 20 0 "[ . 1 . 2]" 3
2412 1 63 CYS HB2 1 64 LEU MD1 2.553 . 6.500 4.514 3.355 5.199 . 0 0 "[ . 1 . 2]" 3
2413 1 5 LEU QB 1 5 LEU MD1 1.636 . 1.971 1.863 1.843 1.879 . 0 0 "[ . 1 . 2]" 3
2414 1 12 PHE QB 1 46 LEU MD1 3.194 . 6.500 5.551 4.466 6.805 0.305 19 0 "[ . 1 . 2]" 3
2415 1 46 LEU HA 1 46 LEU MD1 2.353 . 3.045 1.901 1.752 2.066 . 0 0 "[ . 1 . 2]" 3
2416 1 5 LEU QB 1 5 LEU MD1 1.968 . 2.452 1.743 1.729 1.760 . 0 0 "[ . 1 . 2]" 3
2417 1 13 GLN HG2 1 18 THR MG 3.214 . 4.506 3.646 2.012 4.386 . 0 0 "[ . 1 . 2]" 3
2418 1 13 GLN HA 1 18 THR MG 3.155 . 4.400 4.321 3.960 4.469 0.069 10 0 "[ . 1 . 2]" 3
2419 1 18 THR MG 1 24 TRP HE3 3.585 . 5.192 4.833 4.524 5.105 . 0 0 "[ . 1 . 2]" 3
2420 1 12 PHE QD 1 18 THR MG 3.522 . 5.072 5.094 4.828 5.225 0.153 4 0 "[ . 1 . 2]" 3
2421 1 6 THR HB 1 6 THR MG 1.640 . 1.976 1.864 1.846 1.884 . 0 0 "[ . 1 . 2]" 3
2422 1 6 THR MG 1 15 ASN HB2 3.964 . 6.500 6.032 5.195 6.416 . 0 0 "[ . 1 . 2]" 3
2423 1 3 PRO HB3 1 6 THR MG 3.563 . 5.150 4.134 3.962 4.452 . 0 0 "[ . 1 . 2]" 3
2424 1 4 VAL MG2 1 6 THR HA 2.556 . 3.372 3.242 2.915 3.412 0.040 6 0 "[ . 1 . 2]" 3
2425 1 2 SER HB3 1 4 VAL MG2 3.189 . 4.460 4.139 3.917 4.277 . 0 0 "[ . 1 . 2]" 3
2426 1 4 VAL HB 1 4 VAL MG2 1.778 . 2.173 1.881 1.869 1.896 . 0 0 "[ . 1 . 2]" 3
2427 1 4 VAL MG2 1 15 ASN HB2 4.012 . 6.500 6.039 5.492 6.602 0.102 13 0 "[ . 1 . 2]" 3
2428 1 4 VAL MG2 1 5 LEU QB 3.091 . 4.285 4.047 3.898 4.294 0.009 9 0 "[ . 1 . 2]" 3
2429 1 47 TYR HA 1 48 VAL MG2 2.576 . 6.500 3.587 3.188 4.345 . 0 0 "[ . 1 . 2]" 3
2430 1 44 ARG QG 1 48 VAL MG2 3.307 . 6.500 5.788 4.817 6.912 0.412 12 0 "[ . 1 . 2]" 3
2431 1 47 TYR HB3 1 48 VAL MG2 2.701 . 6.500 4.510 3.982 5.037 . 0 0 "[ . 1 . 2]" 3
2432 1 3 PRO HA 1 4 VAL MG1 2.454 . 6.500 3.479 3.136 3.717 . 0 0 "[ . 1 . 2]" 3
2433 1 4 VAL HB 1 4 VAL MG1 1.824 . 2.240 1.884 1.877 1.896 . 0 0 "[ . 1 . 2]" 3
2434 1 2 SER HB3 1 4 VAL MG1 2.864 . 6.500 4.698 4.599 4.836 . 0 0 "[ . 1 . 2]" 3
2435 1 3 PRO HD2 1 4 VAL MG1 3.880 . 5.761 5.323 5.122 5.498 . 0 0 "[ . 1 . 2]" 3
2436 1 91 ALA HA 1 91 ALA MB 1.585 . 1.899 1.872 1.868 1.881 . 0 0 "[ . 1 . 2]" 3
2437 1 89 ASN HB2 1 91 ALA MB 3.160 . 4.408 4.278 3.271 4.679 0.271 14 0 "[ . 1 . 2]" 3
2438 1 91 ALA MB 1 92 VAL MG1 3.361 . 4.773 3.742 3.271 4.085 . 0 0 "[ . 1 . 2]" 3
2439 1 58 ALA MB 1 60 GLU HB2 3.987 . 5.974 5.239 5.067 5.677 . 0 0 "[ . 1 . 2]" 3
2440 1 24 TRP HA 1 25 ALA MB 3.220 . 4.516 4.505 4.352 4.634 0.118 16 0 "[ . 1 . 2]" 3
2441 1 11 SER QB 1 25 ALA MB 3.361 . 6.500 5.279 4.830 5.664 . 0 0 "[ . 1 . 2]" 3
2442 1 22 GLN HG2 1 25 ALA MB 2.273 . 6.500 3.341 3.013 3.556 . 0 0 "[ . 1 . 2]" 3
2443 1 22 GLN QB 1 25 ALA MB 2.709 . 6.500 4.270 4.097 4.551 . 0 0 "[ . 1 . 2]" 3
2444 1 20 ILE HG13 1 25 ALA MB 2.696 . 3.605 3.227 2.656 3.587 . 0 0 "[ . 1 . 2]" 3
2445 1 25 ALA MB 1 26 CYS HA 3.001 . 4.127 3.847 3.142 4.281 0.154 7 0 "[ . 1 . 2]" 3
2446 1 9 PRO HB2 1 10 ALA MB 2.209 . 6.500 3.285 3.105 3.586 . 0 0 "[ . 1 . 2]" 3
2447 1 7 CYS HB2 1 10 ALA MB 3.860 . 6.223 6.153 5.756 6.285 0.062 14 0 "[ . 1 . 2]" 3
2448 1 18 THR HA 1 20 ILE MG 2.553 . 6.500 3.782 3.270 4.691 . 0 0 "[ . 1 . 2]" 3
2449 1 14 CYS HB2 1 20 ILE MG 2.090 . 6.500 3.674 3.530 3.893 . 0 0 "[ . 1 . 2]" 3
2450 1 20 ILE MG 1 31 ASP QB 2.107 . 3.212 3.157 2.753 3.390 0.178 10 0 "[ . 1 . 2]" 3
2451 1 13 GLN HG3 1 20 ILE MG 3.259 . 5.586 5.465 5.029 5.675 0.089 4 0 "[ . 1 . 2]" 3
2452 1 11 SER HA 1 20 ILE MG 3.399 . 6.500 5.660 5.563 5.758 . 0 0 "[ . 1 . 2]" 3
2453 1 63 CYS HA 1 69 ILE MG 2.979 . 6.500 4.746 4.392 4.878 . 0 0 "[ . 1 . 2]" 3
2454 1 69 ILE HA 1 69 ILE MD 2.213 . 6.500 3.916 3.894 3.960 . 0 0 "[ . 1 . 2]" 3
2455 1 60 GLU HA 1 69 ILE MD 2.876 . 6.500 4.780 4.720 4.874 . 0 0 "[ . 1 . 2]" 3
2456 1 20 ILE HA 1 20 ILE MD 2.352 . 6.500 3.998 3.923 4.038 . 0 0 "[ . 1 . 2]" 3
2457 1 46 LEU MD2 1 47 TYR QD 3.072 . 4.251 3.067 1.836 3.803 0.057 20 0 "[ . 1 . 2]" 3
2458 1 61 PHE QD 1 74 ARG HA 2.787 . 3.758 3.834 3.767 3.891 0.133 8 0 "[ . 1 . 2]" 3
2459 1 61 PHE HB2 1 61 PHE QD 2.688 . 3.592 2.522 2.447 2.616 . 0 0 "[ . 1 . 2]" 3
2460 1 12 PHE QE 1 36 SER HB3 3.596 . 5.213 4.513 4.095 4.802 . 0 0 "[ . 1 . 2]" 3
2461 1 12 PHE QE 1 37 ASP HB3 3.522 . 5.072 3.350 3.075 3.966 . 0 0 "[ . 1 . 2]" 3
2462 1 12 PHE QE 1 20 ILE HG13 3.987 . 5.974 3.480 2.505 4.441 . 0 0 "[ . 1 . 2]" 3
2463 1 6 THR MG 1 12 PHE QE 3.880 . 5.761 3.084 2.345 3.998 . 0 0 "[ . 1 . 2]" 3
2464 1 12 PHE QD 1 13 GLN HB3 3.698 . 5.407 4.441 4.178 4.807 . 0 0 "[ . 1 . 2]" 3
2465 1 15 ASN HA 1 39 TRP HH2 3.880 . 5.761 5.490 4.846 5.863 0.102 16 0 "[ . 1 . 2]" 3
2466 1 36 SER HB2 1 39 TRP HH2 3.742 . 5.492 5.109 4.740 5.255 . 0 0 "[ . 1 . 2]" 3
2467 1 35 GLY HA2 1 39 TRP HH2 4.151 . 6.305 6.204 6.112 6.262 . 0 0 "[ . 1 . 2]" 3
2468 1 20 ILE HA 1 24 TRP HH2 3.942 . 5.884 5.439 5.092 5.732 . 0 0 "[ . 1 . 2]" 3
2469 1 30 PRO HB3 1 39 TRP HD1 3.369 . 4.788 4.690 4.526 4.788 0.000 7 0 "[ . 1 . 2]" 3
2470 1 21 PRO HD3 1 24 TRP HH2 3.860 . 5.723 4.491 4.317 4.680 . 0 0 "[ . 1 . 2]" 3
2471 1 32 CYS HB2 1 39 TRP HD1 3.964 . 5.928 5.793 5.101 6.024 0.096 5 0 "[ . 1 . 2]" 3
2472 1 20 ILE HA 1 24 TRP HE3 3.502 . 5.035 3.514 3.392 3.573 . 0 0 "[ . 1 . 2]" 3
2473 1 46 LEU MD2 1 47 TYR QE 2.834 . 3.838 3.852 2.127 4.336 0.498 2 0 "[ . 1 . 2]" 3
2474 1 44 ARG QB 1 47 TYR QE 3.502 . 5.035 4.199 2.604 5.029 . 0 0 "[ . 1 . 2]" 3
2475 1 21 PRO HD2 1 24 TRP HZ2 3.563 . 5.150 3.875 3.780 3.983 . 0 0 "[ . 1 . 2]" 3
2476 1 20 ILE MG 1 24 TRP HZ2 3.806 . 5.617 5.334 5.118 5.535 . 0 0 "[ . 1 . 2]" 3
2477 1 70 HIS HA 1 73 TRP HZ2 4.063 . 6.127 5.669 5.441 6.015 . 0 0 "[ . 1 . 2]" 3
2478 1 21 PRO HD3 1 24 TRP HZ2 4.120 . 6.242 5.198 4.661 5.407 . 0 0 "[ . 1 . 2]" 3
2479 1 15 ASN HB3 1 39 TRP HZ2 3.964 . 5.928 5.050 4.506 5.374 . 0 0 "[ . 1 . 2]" 3
2480 1 30 PRO HB3 1 39 TRP HZ2 4.183 . 6.370 5.962 5.256 6.226 . 0 0 "[ . 1 . 2]" 3
2481 1 57 SER QB 1 59 PHE HZ 4.254 . 6.516 6.320 5.349 6.550 0.034 20 0 "[ . 1 . 2]" 3
2482 1 59 PHE QD 1 60 GLU HA 3.671 . 5.355 4.195 4.049 4.280 . 0 0 "[ . 1 . 2]" 3
2483 1 16 SER HB3 1 39 TRP HH2 4.091 . 6.183 6.153 5.851 6.230 0.047 15 0 "[ . 1 . 2]" 3
2484 1 49 PHE QD 1 50 GLN QG 3.493 . 5.018 3.603 1.975 5.040 0.022 19 0 "[ . 1 . 2]" 3
2485 1 14 CYS HB2 1 33 GLU HG2 3.014 . 5.050 4.789 4.523 5.170 0.120 14 0 "[ . 1 . 2]" 3
2486 1 12 PHE QR 1 13 GLN HG3 3.900 . 5.801 4.470 4.055 4.718 . 0 0 "[ . 1 . 2]" 3
2487 1 12 PHE QD 1 13 GLN HG3 4.012 . 6.024 4.292 3.850 4.562 . 0 0 "[ . 1 . 2]" 3
2488 1 61 PHE QE 1 62 HIS HA 4.292 . 6.595 5.019 4.812 5.109 . 0 0 "[ . 1 . 2]" 3
2489 1 23 LEU QD 1 24 TRP HD1 3.645 . 5.306 3.647 3.553 3.893 . 0 0 "[ . 1 . 2]" 3
2490 1 6 THR HB 1 12 PHE QD 4.183 . 6.370 3.891 2.810 5.279 . 0 0 "[ . 1 . 2]" 3
2491 1 12 PHE QD 1 14 CYS HB2 3.860 . 5.723 5.563 4.931 5.761 0.038 1 0 "[ . 1 . 2]" 3
2492 1 13 GLN HE22 1 13 GLN HG2 2.928 . 4.000 3.204 2.950 3.520 . 0 0 "[ . 1 . 2]" 3
2493 1 30 PRO HB3 1 38 GLU H 3.023 . 4.165 3.239 3.022 3.850 . 0 0 "[ . 1 . 2]" 3
2494 1 13 GLN HG3 1 17 SER H 3.663 . 5.340 5.200 3.811 5.462 0.122 13 0 "[ . 1 . 2]" 3
2495 1 7 CYS HB2 1 11 SER H 3.311 . 4.781 4.556 4.321 4.822 0.041 11 0 "[ . 1 . 2]" 3
2496 1 12 PHE QB 1 24 TRP H 3.220 . 5.266 4.976 4.400 5.359 0.093 8 0 "[ . 1 . 2]" 3
2497 1 20 ILE H 1 21 PRO HD2 2.851 . 4.417 4.578 4.536 4.647 0.230 7 0 "[ . 1 . 2]" 3
2498 1 19 CYS HB2 1 20 ILE H 2.421 . 3.454 2.823 2.590 3.136 . 0 0 "[ . 1 . 2]" 3
2499 1 20 ILE H 1 20 ILE HA 2.517 . 3.309 2.580 2.565 2.596 . 0 0 "[ . 1 . 2]" 3
2500 1 40 PRO HA 1 43 CYS H 2.771 . 3.731 3.636 3.167 3.972 0.241 7 0 "[ . 1 . 2]" 3
2501 1 18 THR H 1 33 GLU HB3 3.663 . 5.540 5.250 3.405 5.575 0.035 15 0 "[ . 1 . 2]" 3
2502 1 86 ASP H 1 87 GLU HG3 2.928 . 4.500 4.413 4.284 4.513 0.013 14 0 "[ . 1 . 2]" 3
2503 1 56 CYS HB3 1 57 SER H 2.320 . 2.993 2.403 2.099 2.673 . 0 0 "[ . 1 . 2]" 3
2504 1 74 ARG HD3 1 88 GLU H 3.364 . 5.878 5.624 4.623 5.957 0.079 17 0 "[ . 1 . 2]" 3
2505 1 30 PRO HB3 1 32 CYS H 2.887 . 3.929 3.884 3.644 4.151 0.222 8 0 "[ . 1 . 2]" 3
2506 1 46 LEU MD2 1 47 TYR H 3.263 . 4.594 3.444 3.094 3.656 . 0 0 "[ . 1 . 2]" 3
2507 1 43 CYS HB2 1 44 ARG H 2.997 . 4.120 2.501 1.935 2.652 . 0 0 "[ . 1 . 2]" 3
2508 1 51 GLY QA 1 52 ASP H 2.432 . 3.171 2.281 2.096 2.725 . 0 0 "[ . 1 . 2]" 3
2509 1 43 CYS HB3 1 44 ARG H 3.023 . 4.165 2.368 1.858 3.769 0.023 6 0 "[ . 1 . 2]" 3
2510 1 69 ILE HB 1 73 TRP H 2.907 . 4.363 4.348 4.158 4.433 0.070 7 0 "[ . 1 . 2]" 3
2511 1 69 ILE MD 1 76 ASP H 3.491 . 5.015 4.862 4.448 5.031 0.016 11 0 "[ . 1 . 2]" 3
2512 1 45 GLY QA 1 46 LEU H 2.973 . 4.078 2.306 2.103 2.608 . 0 0 "[ . 1 . 2]" 3
2513 1 20 ILE MD 1 27 ASP H 3.364 . 4.778 4.599 4.125 4.918 0.140 19 0 "[ . 1 . 2]" 3
2514 1 30 PRO HB3 1 35 GLY H 2.786 . 4.056 3.977 3.749 4.118 0.062 5 0 "[ . 1 . 2]" 3
2515 1 12 PHE H 1 20 ILE MD 3.079 . 4.564 4.231 3.932 4.797 0.233 7 0 "[ . 1 . 2]" 3
2516 1 4 VAL MG2 1 5 LEU H 3.570 . 5.163 3.332 3.017 3.523 . 0 0 "[ . 1 . 2]" 3
2517 1 76 ASP HB2 1 78 GLY H 3.220 . 4.516 3.943 3.638 4.257 . 0 0 "[ . 1 . 2]" 3
2518 1 73 TRP HB3 1 74 ARG H 2.404 . 3.127 2.853 2.805 2.883 . 0 0 "[ . 1 . 2]" 3
2519 1 74 ARG H 1 76 ASP HB2 3.050 . 4.513 4.638 4.596 4.812 0.299 20 0 "[ . 1 . 2]" 3
2520 1 24 TRP HB2 1 25 ALA H 2.833 . 3.837 2.830 2.459 3.164 . 0 0 "[ . 1 . 2]" 3
2521 1 4 VAL MG2 1 13 GLN H 3.491 . 5.600 4.861 4.405 5.836 0.236 12 0 "[ . 1 . 2]" 3
2522 1 60 GLU HB2 1 62 HIS H 3.491 . 5.015 4.837 4.631 5.024 0.009 10 0 "[ . 1 . 2]" 3
2523 1 58 ALA HA 1 62 HIS H 3.424 . 5.789 5.645 5.495 5.731 . 0 0 "[ . 1 . 2]" 3
2524 1 64 LEU HB3 1 66 GLY H 3.144 . 4.680 4.445 4.329 4.547 . 0 0 "[ . 1 . 2]" 3
2525 1 81 CYS HB2 1 84 LYS H 2.599 . 3.443 2.722 2.462 3.794 0.351 20 0 "[ . 1 . 2]" 3
2526 1 64 LEU H 1 65 SER HB2 3.364 . 5.228 4.754 3.640 5.295 0.067 15 0 "[ . 1 . 2]" 3
2527 1 14 CYS H 1 17 SER H 4.034 . 6.068 3.907 3.565 4.349 . 0 0 "[ . 1 . 2]" 3
2528 1 36 SER H 1 37 ASP H 2.059 . 2.589 2.529 2.336 2.637 0.048 2 0 "[ . 1 . 2]" 3
2529 1 83 ASP H 1 85 SER H 3.476 . 4.986 3.871 3.474 3.976 . 0 0 "[ . 1 . 2]" 3
2530 1 34 ASP H 1 36 SER H 3.426 . 4.893 3.156 2.902 3.619 . 0 0 "[ . 1 . 2]" 3
2531 1 61 PHE QD 1 69 ILE H 2.933 . 4.008 3.727 3.600 3.848 . 0 0 "[ . 1 . 2]" 3
2532 1 12 PHE QD 1 20 ILE H 3.902 . 5.805 3.555 3.407 3.715 . 0 0 "[ . 1 . 2]" 3
2533 1 63 CYS H 1 69 ILE H 3.964 . 5.928 4.052 3.998 4.165 . 0 0 "[ . 1 . 2]" 3
2534 1 13 GLN H 1 20 ILE H 4.207 . 6.419 4.025 3.472 4.144 . 0 0 "[ . 1 . 2]" 3
2535 1 85 SER H 1 86 ASP H 2.595 . 3.437 2.459 2.358 2.588 . 0 0 "[ . 1 . 2]" 3
2536 1 75 CYS H 1 87 GLU H 3.052 . 4.216 3.768 3.360 3.931 . 0 0 "[ . 1 . 2]" 3
2537 1 61 PHE QE 1 81 CYS H 4.114 . 6.230 3.818 2.749 4.385 . 0 0 "[ . 1 . 2]" 3
2538 1 43 CYS H 1 44 ARG H 2.283 . 2.935 2.100 1.889 2.486 . 0 0 "[ . 1 . 2]" 3
2539 1 26 CYS H 1 38 GLU H 3.665 . 5.344 3.962 3.777 4.325 . 0 0 "[ . 1 . 2]" 3
2540 1 25 ALA H 1 26 CYS H 3.002 . 4.129 3.649 3.524 3.916 . 0 0 "[ . 1 . 2]" 3
2541 1 60 GLU H 1 71 SER H 3.042 . 4.298 2.897 2.256 3.858 . 0 0 "[ . 1 . 2]" 3
2542 1 60 GLU H 1 71 SER H 2.815 . 3.805 3.837 3.806 3.938 0.133 20 0 "[ . 1 . 2]" 3
2543 1 10 ALA H 1 11 SER H 2.966 . 4.066 2.917 2.032 3.614 . 0 0 "[ . 1 . 2]" 3
2544 1 60 GLU H 1 61 PHE H 2.759 . 3.710 3.698 3.655 3.754 0.044 5 0 "[ . 1 . 2]" 3
2545 1 60 GLU H 1 61 PHE H 2.840 . 3.848 3.647 3.613 3.699 . 0 0 "[ . 1 . 2]" 3
2546 1 69 ILE H 1 70 HIS H 2.933 . 4.008 3.945 3.909 3.973 . 0 0 "[ . 1 . 2]" 3
2547 1 61 PHE H 1 70 HIS H 3.283 . 4.630 3.939 3.806 4.053 . 0 0 "[ . 1 . 2]" 3
2548 1 61 PHE H 1 70 HIS H 4.207 . 6.419 4.212 3.971 4.352 . 0 0 "[ . 1 . 2]" 3
2549 1 74 ARG H 1 75 CYS H 2.719 . 6.500 3.705 3.318 3.843 . 0 0 "[ . 1 . 2]" 3
2550 1 12 PHE H 1 13 GLN H 2.993 . 4.113 3.323 2.637 3.704 . 0 0 "[ . 1 . 2]" 3
2551 1 61 PHE QR 1 63 CYS H 2.840 . 3.848 3.863 3.628 3.955 0.107 16 0 "[ . 1 . 2]" 3
2552 1 70 HIS H 1 73 TRP HE1 3.503 . 5.037 4.204 4.054 4.305 . 0 0 "[ . 1 . 2]" 3
2553 1 22 GLN H 1 25 ALA H 2.609 . 6.500 3.989 3.709 4.395 . 0 0 "[ . 1 . 2]" 3
2554 1 12 PHE QD 1 25 ALA H 3.562 . 5.148 3.858 3.568 4.114 . 0 0 "[ . 1 . 2]" 3
2555 1 25 ALA H 1 26 CYS H 4.450 . 6.925 3.968 3.603 4.397 . 0 0 "[ . 1 . 2]" 3
2556 1 13 GLN H 1 14 CYS H 3.217 . 4.511 3.724 3.559 3.910 . 0 0 "[ . 1 . 2]" 3
2557 1 61 PHE QD 1 62 HIS H 3.594 . 5.209 2.771 2.487 3.026 . 0 0 "[ . 1 . 2]" 3
2558 1 12 PHE H 1 13 GLN H 3.097 . 4.296 3.753 2.645 3.994 . 0 0 "[ . 1 . 2]" 3
2559 1 12 PHE QD 1 13 GLN H 3.031 . 4.380 3.313 2.595 4.416 0.036 7 0 "[ . 1 . 2]" 3
2560 1 78 GLY H 1 80 ASP H 3.964 . 5.928 4.477 4.273 4.612 . 0 0 "[ . 1 . 2]" 3
2561 1 29 ASP H 1 31 ASP H 3.964 . 5.928 4.205 3.999 4.398 . 0 0 "[ . 1 . 2]" 3
2562 1 54 SER CA 1 56 CYS H 1.800 . 6.500 3.511 3.355 4.283 . 0 0 "[ . 1 . 2]" 3
2563 1 54 SER CB 1 56 CYS H 1.800 . 6.500 3.304 3.099 3.967 . 0 0 "[ . 1 . 2]" 3
2564 1 43 CYS HB3 1 46 LEU MD2 1.800 . 6.500 4.561 4.167 5.262 . 0 0 "[ . 1 . 2]" 3
2565 1 44 ARG HA 1 46 LEU QD 1.800 . 6.500 4.164 3.657 4.745 . 0 0 "[ . 1 . 2]" 3
2566 1 43 CYS HB2 1 46 LEU HB3 1.800 . 6.500 6.557 5.991 7.165 0.665 16 1 "[ . 1 .+ 2]" 3
2567 1 43 CYS HB2 1 46 LEU HB2 1.800 . 6.500 5.106 4.663 5.723 . 0 0 "[ . 1 . 2]" 3
2568 1 44 ARG QB 1 46 LEU HB2 1.800 . 6.500 5.717 4.552 6.308 . 0 0 "[ . 1 . 2]" 3
2569 1 46 LEU HA 1 48 VAL MG1 1.800 . 6.500 4.632 2.646 6.113 . 0 0 "[ . 1 . 2]" 3
2570 1 48 VAL QG 1 50 GLN HB2 1.800 . 6.500 4.527 2.226 6.449 . 0 0 "[ . 1 . 2]" 3
2571 1 48 VAL QG 1 50 GLN QG 1.800 . 6.500 4.360 1.831 5.670 . 0 0 "[ . 1 . 2]" 3
2572 1 51 GLY QA 1 52 ASP QB 1.800 . 6.500 4.077 3.736 4.509 . 0 0 "[ . 1 . 2]" 3
2573 1 48 VAL QG 1 53 SER QB 1.800 . 6.500 5.207 2.385 6.576 0.076 20 0 "[ . 1 . 2]" 3
2574 1 54 SER QB 1 55 PRO HG2 1.800 . 6.500 4.030 3.621 4.362 . 0 0 "[ . 1 . 2]" 3
2575 1 54 SER QB 1 55 PRO HD2 1.800 . 6.500 2.074 1.922 2.312 . 0 0 "[ . 1 . 2]" 3
2576 1 54 SER QB 1 55 PRO HB3 1.800 . 6.500 5.164 4.941 5.288 . 0 0 "[ . 1 . 2]" 3
2577 1 54 SER QB 1 55 PRO HD3 1.800 . 6.500 3.056 2.622 3.281 . 0 0 "[ . 1 . 2]" 3
2578 1 54 SER QB 1 55 PRO HG3 1.800 . 6.500 4.562 4.293 4.803 . 0 0 "[ . 1 . 2]" 3
2579 1 56 CYS HB2 1 58 ALA HA 1.800 . 6.500 5.751 5.414 6.286 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 71
_Distance_constraint_stats_list.Viol_total 121.612
_Distance_constraint_stats_list.Viol_max 0.633
_Distance_constraint_stats_list.Viol_rms 0.0665
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0253
_Distance_constraint_stats_list.Viol_average_violations_only 0.0856
_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 57 SER 1.702 0.633 13 1 "[ . 1 + . 2]"
1 60 GLU 1.702 0.633 13 1 "[ . 1 + . 2]"
1 61 PHE 3.310 0.164 11 0 "[ . 1 . 2]"
1 63 CYS 0.599 0.207 19 0 "[ . 1 . 2]"
1 67 GLU 0.599 0.207 19 0 "[ . 1 . 2]"
1 69 ILE 3.310 0.164 11 0 "[ . 1 . 2]"
1 70 HIS 0.403 0.154 20 0 "[ . 1 . 2]"
1 71 SER 0.067 0.055 20 0 "[ . 1 . 2]"
1 73 TRP 0.403 0.154 20 0 "[ . 1 . 2]"
1 74 ARG 0.067 0.055 20 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 57 SER O 1 60 GLU H 1.700 . 2.200 2.257 2.100 2.833 0.633 13 1 "[ . 1 + . 2]" 4
2 1 57 SER O 1 60 GLU N 2.700 2.700 3.200 2.951 2.690 3.248 0.048 13 0 "[ . 1 . 2]" 4
3 1 61 PHE H 1 69 ILE O 1.700 . 2.200 1.767 1.645 2.032 0.055 10 0 "[ . 1 . 2]" 4
4 1 61 PHE N 1 69 ILE O 2.700 2.700 3.200 2.577 2.536 2.611 0.164 11 0 "[ . 1 . 2]" 4
5 1 63 CYS H 1 67 GLU O 1.700 . 2.200 2.052 1.761 2.407 0.207 19 0 "[ . 1 . 2]" 4
6 1 63 CYS N 1 67 GLU O 2.700 2.700 3.200 2.939 2.706 3.270 0.070 19 0 "[ . 1 . 2]" 4
7 1 61 PHE O 1 69 ILE H 1.700 . 2.200 1.789 1.643 2.099 0.057 20 0 "[ . 1 . 2]" 4
8 1 61 PHE O 1 69 ILE N 2.700 2.700 3.200 2.756 2.605 3.073 0.095 20 0 "[ . 1 . 2]" 4
9 1 70 HIS O 1 73 TRP H 1.700 . 2.200 1.985 1.630 2.118 0.070 20 0 "[ . 1 . 2]" 4
10 1 70 HIS O 1 73 TRP N 2.700 2.700 3.200 2.813 2.546 2.946 0.154 20 0 "[ . 1 . 2]" 4
11 1 71 SER O 1 74 ARG H 1.700 . 2.200 1.960 1.737 2.088 . 0 0 "[ . 1 . 2]" 4
12 1 71 SER O 1 74 ARG N 2.700 2.700 3.200 2.846 2.645 2.966 0.055 20 0 "[ . 1 . 2]" 4
stop_
save_
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