NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
460194 |
1x61   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x61
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 20
_Distance_constraint_stats_list.Viol_count 350
_Distance_constraint_stats_list.Viol_total 2596.853
_Distance_constraint_stats_list.Viol_max 0.813
_Distance_constraint_stats_list.Viol_rms 0.3136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3246
_Distance_constraint_stats_list.Viol_average_violations_only 0.3710
_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 8 CYS 21.364 0.793 11 18 "[****** **1+**-******]"
1 11 CYS 24.054 0.803 14 18 "[*************+** **]"
1 30 HIS 25.297 0.805 10 20 [*******-*+**********]
1 33 CYS 39.382 0.805 10 20 [*****-***+**********]
1 36 CYS 40.606 0.813 20 20 [******-************+]
1 39 CYS 36.856 0.813 20 20 [*********-*********+]
1 57 CYS 31.772 0.777 10 20 [*********+*******-**]
1 60 CYS 38.496 0.810 12 20 [***********+*****-**]
2 1 ZN 0.946 0.046 14 0 "[ . 1 . 2]"
3 1 ZN 0.914 0.043 10 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 8 CYS SG 2 1 ZN ZN . . 2.330 2.330 2.324 2.334 0.004 10 0 "[ . 1 . 2]" 1
2 1 11 CYS SG 2 1 ZN ZN . . 2.330 2.334 2.320 2.358 0.028 1 0 "[ . 1 . 2]" 1
3 1 33 CYS SG 2 1 ZN ZN . . 2.330 2.351 2.326 2.376 0.046 14 0 "[ . 1 . 2]" 1
4 1 30 HIS ND1 2 1 ZN ZN . . 2.030 2.050 2.029 2.072 0.042 17 0 "[ . 1 . 2]" 1
5 1 8 CYS SG 1 11 CYS SG . . 3.200 3.461 3.222 3.788 0.588 6 3 "[ .+ 1 *-. 2]" 1
6 1 8 CYS SG 1 33 CYS SG . . 3.200 3.843 3.480 3.993 0.793 11 17 "[*****- **1+** ******]" 1
7 1 8 CYS SG 1 30 HIS ND1 . . 3.200 3.364 3.197 3.823 0.623 17 1 "[ . 1 . + 2]" 1
8 1 11 CYS SG 1 33 CYS SG . . 3.200 3.780 3.315 3.994 0.794 12 13 "[***** -*1*+* .* **]" 1
9 1 11 CYS SG 1 30 HIS ND1 . . 3.200 3.556 3.207 4.003 0.803 14 6 "[ .**- * +* 2]" 1
10 1 30 HIS ND1 1 33 CYS SG . . 3.200 3.925 3.778 4.005 0.805 10 20 [*********+*******-**] 1
11 1 36 CYS SG 3 1 ZN ZN . . 2.330 2.329 2.324 2.332 0.002 11 0 "[ . 1 . 2]" 1
12 1 39 CYS SG 3 1 ZN ZN . . 2.330 2.345 2.326 2.373 0.043 10 0 "[ . 1 . 2]" 1
13 1 57 CYS SG 3 1 ZN ZN . . 2.330 2.346 2.323 2.371 0.041 10 0 "[ . 1 . 2]" 1
14 1 60 CYS SG 3 1 ZN ZN . . 2.330 2.343 2.326 2.372 0.042 7 0 "[ . 1 . 2]" 1
15 1 36 CYS SG 1 39 CYS SG . . 3.200 3.916 3.794 4.013 0.813 20 20 [********-**********+] 1
16 1 36 CYS SG 1 57 CYS SG . . 3.200 3.871 3.679 3.977 0.777 10 19 "[*** *****+****-*****]" 1
17 1 36 CYS SG 1 60 CYS SG . . 3.200 3.843 3.736 4.003 0.803 18 20 [******-**********+**] 1
18 1 39 CYS SG 1 57 CYS SG . . 3.200 3.572 3.388 3.771 0.571 6 4 "[ ** .+ - . 2]" 1
19 1 39 CYS SG 1 60 CYS SG . . 3.200 3.939 3.806 4.010 0.810 12 20 [***********+*****-**] 1
20 1 57 CYS SG 1 60 CYS SG . . 3.200 3.729 3.519 3.906 0.706 15 12 "[* ** * *** **+ - *]" 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 1220
_Distance_constraint_stats_list.Viol_count 474
_Distance_constraint_stats_list.Viol_total 136.534
_Distance_constraint_stats_list.Viol_max 0.158
_Distance_constraint_stats_list.Viol_rms 0.0037
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0144
_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 6 SER 0.099 0.028 14 0 "[ . 1 . 2]"
1 7 GLY 0.089 0.028 14 0 "[ . 1 . 2]"
1 8 CYS 0.258 0.065 11 0 "[ . 1 . 2]"
1 9 GLY 0.109 0.016 15 0 "[ . 1 . 2]"
1 10 GLY 0.115 0.022 4 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.140 0.065 11 0 "[ . 1 . 2]"
1 13 GLU 0.254 0.158 17 0 "[ . 1 . 2]"
1 14 ASP 0.067 0.024 10 0 "[ . 1 . 2]"
1 15 VAL 0.124 0.029 14 0 "[ . 1 . 2]"
1 16 VAL 0.680 0.155 19 0 "[ . 1 . 2]"
1 17 GLY 0.184 0.110 10 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ALA 0.272 0.110 10 0 "[ . 1 . 2]"
1 21 GLY 0.108 0.022 14 0 "[ . 1 . 2]"
1 22 VAL 0.350 0.064 14 0 "[ . 1 . 2]"
1 23 VAL 0.068 0.014 19 0 "[ . 1 . 2]"
1 24 ALA 0.003 0.002 17 0 "[ . 1 . 2]"
1 25 LEU 0.164 0.040 10 0 "[ . 1 . 2]"
1 26 ASP 0.310 0.048 14 0 "[ . 1 . 2]"
1 27 ARG 0.505 0.048 14 0 "[ . 1 . 2]"
1 28 VAL 0.213 0.029 14 0 "[ . 1 . 2]"
1 29 PHE 0.531 0.064 14 0 "[ . 1 . 2]"
1 30 HIS 0.165 0.025 11 0 "[ . 1 . 2]"
1 31 VAL 0.255 0.042 8 0 "[ . 1 . 2]"
1 32 GLY 0.003 0.003 17 0 "[ . 1 . 2]"
1 33 CYS 0.134 0.022 4 0 "[ . 1 . 2]"
1 34 PHE 0.177 0.036 12 0 "[ . 1 . 2]"
1 35 VAL 0.352 0.104 20 0 "[ . 1 . 2]"
1 36 CYS 0.479 0.044 13 0 "[ . 1 . 2]"
1 37 SER 0.125 0.029 15 0 "[ . 1 . 2]"
1 38 THR 0.055 0.038 12 0 "[ . 1 . 2]"
1 39 CYS 0.050 0.019 18 0 "[ . 1 . 2]"
1 40 ARG 0.373 0.104 20 0 "[ . 1 . 2]"
1 41 ALA 0.130 0.043 4 0 "[ . 1 . 2]"
1 42 GLN 0.180 0.053 20 0 "[ . 1 . 2]"
1 43 LEU 0.804 0.047 15 0 "[ . 1 . 2]"
1 44 ARG 0.600 0.096 6 0 "[ . 1 . 2]"
1 45 GLY 0.311 0.096 6 0 "[ . 1 . 2]"
1 46 GLN 0.582 0.158 9 0 "[ . 1 . 2]"
1 47 HIS 0.009 0.005 12 0 "[ . 1 . 2]"
1 48 PHE 0.235 0.023 18 0 "[ . 1 . 2]"
1 49 TYR 0.153 0.030 12 0 "[ . 1 . 2]"
1 50 ALA 0.127 0.022 13 0 "[ . 1 . 2]"
1 51 VAL 0.047 0.012 18 0 "[ . 1 . 2]"
1 52 GLU 0.296 0.128 17 0 "[ . 1 . 2]"
1 53 ARG 0.097 0.097 17 0 "[ . 1 . 2]"
1 54 ARG 0.170 0.041 12 0 "[ . 1 . 2]"
1 55 ALA 0.174 0.041 12 0 "[ . 1 . 2]"
1 56 TYR 0.158 0.038 12 0 "[ . 1 . 2]"
1 57 CYS 0.398 0.044 13 0 "[ . 1 . 2]"
1 58 GLU 0.166 0.030 12 0 "[ . 1 . 2]"
1 59 GLY 0.044 0.010 7 0 "[ . 1 . 2]"
1 60 CYS 0.051 0.010 7 0 "[ . 1 . 2]"
1 61 TYR 0.064 0.013 12 0 "[ . 1 . 2]"
1 62 VAL 0.068 0.013 15 0 "[ . 1 . 2]"
1 63 ALA 0.010 0.008 17 0 "[ . 1 . 2]"
1 64 THR 0.043 0.020 3 0 "[ . 1 . 2]"
1 65 LEU 0.038 0.020 3 0 "[ . 1 . 2]"
1 66 GLU 0.310 0.123 13 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 37 SER H 1 39 CYS H . . 4.790 4.277 3.962 4.422 . 0 0 "[ . 1 . 2]" 2
2 1 36 CYS HB2 1 37 SER H . . 4.400 3.833 3.824 3.844 . 0 0 "[ . 1 . 2]" 2
3 1 37 SER H 1 55 ALA MB . . 4.520 4.059 3.598 4.468 . 0 0 "[ . 1 . 2]" 2
4 1 37 SER H 1 43 LEU MD1 . . 4.360 4.202 4.061 4.364 0.004 17 0 "[ . 1 . 2]" 2
5 1 59 GLY HA3 1 60 CYS H . . 3.420 2.531 2.458 2.614 . 0 0 "[ . 1 . 2]" 2
6 1 60 CYS H 1 60 CYS QB . . 3.040 2.250 2.178 2.303 . 0 0 "[ . 1 . 2]" 2
7 1 49 TYR QB 1 50 ALA H . . 3.830 2.594 2.175 2.989 . 0 0 "[ . 1 . 2]" 2
8 1 14 ASP HB3 1 15 VAL H . . 3.590 3.008 2.705 3.380 . 0 0 "[ . 1 . 2]" 2
9 1 15 VAL H 1 15 VAL HB . . 3.220 2.555 2.495 2.615 . 0 0 "[ . 1 . 2]" 2
10 1 43 LEU H 1 43 LEU HG . . 3.530 2.651 2.468 2.917 . 0 0 "[ . 1 . 2]" 2
11 1 43 LEU H 1 43 LEU HB2 . . 4.110 2.573 2.482 2.656 . 0 0 "[ . 1 . 2]" 2
12 1 43 LEU H 1 43 LEU HB3 . . 4.110 3.703 3.653 3.750 . 0 0 "[ . 1 . 2]" 2
13 1 36 CYS H 1 43 LEU H . . 4.760 4.355 4.145 4.693 . 0 0 "[ . 1 . 2]" 2
14 1 42 GLN H 1 43 LEU H . . 5.130 4.455 4.389 4.558 . 0 0 "[ . 1 . 2]" 2
15 1 7 GLY HA2 1 8 CYS H . . 2.890 2.377 2.206 2.715 . 0 0 "[ . 1 . 2]" 2
16 1 8 CYS H 1 8 CYS HB3 . . 2.930 2.495 2.399 2.574 . 0 0 "[ . 1 . 2]" 2
17 1 8 CYS H 1 15 VAL MG2 . . 3.420 3.167 2.719 3.415 . 0 0 "[ . 1 . 2]" 2
18 1 40 ARG H 1 41 ALA H . . 3.340 2.811 2.734 2.853 . 0 0 "[ . 1 . 2]" 2
19 1 36 CYS HB3 1 41 ALA H . . 3.020 1.911 1.875 1.972 . 0 0 "[ . 1 . 2]" 2
20 1 36 CYS HB2 1 41 ALA H . . 3.620 2.458 2.370 2.574 . 0 0 "[ . 1 . 2]" 2
21 1 34 PHE H 1 34 PHE HB3 . . 3.560 2.749 2.675 2.834 . 0 0 "[ . 1 . 2]" 2
22 1 34 PHE H 1 34 PHE HB2 . . 3.660 2.331 2.265 2.398 . 0 0 "[ . 1 . 2]" 2
23 1 21 GLY HA2 1 31 VAL H . . 4.480 4.256 3.224 4.497 0.017 13 0 "[ . 1 . 2]" 2
24 1 30 HIS HB3 1 31 VAL H . . 3.720 3.008 2.815 3.215 . 0 0 "[ . 1 . 2]" 2
25 1 31 VAL H 1 31 VAL HB . . 3.720 3.633 3.614 3.648 . 0 0 "[ . 1 . 2]" 2
26 1 51 VAL H 1 54 ARG H . . 3.600 2.667 2.545 2.722 . 0 0 "[ . 1 . 2]" 2
27 1 51 VAL H 1 56 TYR QD . . 4.060 2.969 2.752 3.117 . 0 0 "[ . 1 . 2]" 2
28 1 51 VAL H 1 56 TYR QE . . 3.850 3.446 3.024 3.804 . 0 0 "[ . 1 . 2]" 2
29 1 51 VAL H 1 51 VAL HB . . 3.400 2.794 2.744 2.863 . 0 0 "[ . 1 . 2]" 2
30 1 51 VAL H 1 51 VAL MG2 . . 3.370 2.980 2.862 3.066 . 0 0 "[ . 1 . 2]" 2
31 1 54 ARG HB3 1 55 ALA H . . 3.600 2.110 2.049 2.184 . 0 0 "[ . 1 . 2]" 2
32 1 55 ALA H 1 55 ALA MB . . 2.980 2.487 2.356 2.565 . 0 0 "[ . 1 . 2]" 2
33 1 36 CYS H 1 40 ARG HA . . 3.860 2.913 2.769 3.017 . 0 0 "[ . 1 . 2]" 2
34 1 36 CYS H 1 42 GLN HA . . 4.890 4.543 4.350 4.651 . 0 0 "[ . 1 . 2]" 2
35 1 35 VAL HB 1 36 CYS H . . 3.060 2.296 2.089 2.423 . 0 0 "[ . 1 . 2]" 2
36 1 36 CYS H 1 41 ALA MB . . 4.090 3.560 3.462 3.692 . 0 0 "[ . 1 . 2]" 2
37 1 36 CYS H 1 43 LEU HG . . 3.540 2.544 2.396 2.825 . 0 0 "[ . 1 . 2]" 2
38 1 35 VAL MG2 1 36 CYS H . . 3.480 3.167 3.062 3.315 . 0 0 "[ . 1 . 2]" 2
39 1 36 CYS H 1 43 LEU MD1 . . 4.000 2.786 2.431 3.226 . 0 0 "[ . 1 . 2]" 2
40 1 65 LEU H 1 66 GLU H . . 3.510 2.780 2.448 2.973 . 0 0 "[ . 1 . 2]" 2
41 1 65 LEU H 1 65 LEU HB2 . . 3.000 2.554 2.413 2.635 . 0 0 "[ . 1 . 2]" 2
42 1 65 LEU H 1 65 LEU HB3 . . 3.770 3.587 3.576 3.604 . 0 0 "[ . 1 . 2]" 2
43 1 65 LEU H 1 65 LEU HG . . 3.040 2.125 1.982 2.370 . 0 0 "[ . 1 . 2]" 2
44 1 65 LEU H 1 65 LEU MD1 . . 4.130 3.415 3.228 3.562 . 0 0 "[ . 1 . 2]" 2
45 1 62 VAL HA 1 65 LEU H . . 4.030 3.538 3.359 3.688 . 0 0 "[ . 1 . 2]" 2
46 1 61 TYR H 1 62 VAL H . . 3.310 2.944 2.905 3.000 . 0 0 "[ . 1 . 2]" 2
47 1 61 TYR H 1 61 TYR QD . . 4.210 4.202 4.191 4.215 0.005 3 0 "[ . 1 . 2]" 2
48 1 58 GLU HA 1 61 TYR H . . 4.110 4.015 3.891 4.111 0.001 9 0 "[ . 1 . 2]" 2
49 1 56 TYR HB3 1 61 TYR H . . 3.790 2.892 2.809 3.056 . 0 0 "[ . 1 . 2]" 2
50 1 60 CYS QB 1 61 TYR H . . 3.600 2.380 2.299 2.498 . 0 0 "[ . 1 . 2]" 2
51 1 61 TYR H 1 61 TYR HB2 . . 3.280 2.495 2.456 2.551 . 0 0 "[ . 1 . 2]" 2
52 1 61 TYR H 1 61 TYR HB3 . . 3.070 2.609 2.535 2.674 . 0 0 "[ . 1 . 2]" 2
53 1 13 GLU H 1 30 HIS HE1 . . 3.980 3.847 3.536 3.982 0.002 8 0 "[ . 1 . 2]" 2
54 1 13 GLU H 1 13 GLU HG3 . . 3.500 2.696 2.050 3.501 0.001 4 0 "[ . 1 . 2]" 2
55 1 13 GLU H 1 13 GLU HB2 . . 3.140 2.509 2.315 2.638 . 0 0 "[ . 1 . 2]" 2
56 1 30 HIS H 1 30 HIS HB2 . . 3.670 2.324 2.216 2.426 . 0 0 "[ . 1 . 2]" 2
57 1 29 PHE H 1 29 PHE QD . . 3.540 2.772 2.454 3.380 . 0 0 "[ . 1 . 2]" 2
58 1 29 PHE H 1 29 PHE HB2 . . 3.450 2.848 2.784 2.927 . 0 0 "[ . 1 . 2]" 2
59 1 22 VAL HB 1 29 PHE H . . 4.210 3.353 3.033 4.084 . 0 0 "[ . 1 . 2]" 2
60 1 62 VAL MG2 1 63 ALA H . . 3.960 3.874 3.834 3.925 . 0 0 "[ . 1 . 2]" 2
61 1 29 PHE HB3 1 30 HIS H . . 3.730 2.926 2.702 3.115 . 0 0 "[ . 1 . 2]" 2
62 1 62 VAL HB 1 63 ALA H . . 3.570 2.652 2.574 2.791 . 0 0 "[ . 1 . 2]" 2
63 1 62 VAL H 1 63 ALA H . . 3.480 2.528 2.417 2.612 . 0 0 "[ . 1 . 2]" 2
64 1 36 CYS HB2 1 57 CYS H . . 3.520 3.114 2.998 3.247 . 0 0 "[ . 1 . 2]" 2
65 1 57 CYS H 1 57 CYS HB3 . . 3.550 2.610 2.530 2.746 . 0 0 "[ . 1 . 2]" 2
66 1 36 CYS HB3 1 39 CYS H . . 3.510 3.038 2.738 3.161 . 0 0 "[ . 1 . 2]" 2
67 1 43 LEU H 1 44 ARG H . . 3.780 2.467 2.358 2.584 . 0 0 "[ . 1 . 2]" 2
68 1 42 GLN HB3 1 44 ARG H . . 4.410 2.863 2.716 3.034 . 0 0 "[ . 1 . 2]" 2
69 1 44 ARG H 1 44 ARG QB . . 3.230 2.324 2.147 2.561 . 0 0 "[ . 1 . 2]" 2
70 1 43 LEU HB2 1 44 ARG H . . 4.800 3.864 3.832 3.881 . 0 0 "[ . 1 . 2]" 2
71 1 10 GLY H 1 11 CYS H . . 3.070 2.903 2.446 3.050 . 0 0 "[ . 1 . 2]" 2
72 1 11 CYS H 1 33 CYS HB3 . . 4.450 3.766 3.616 4.230 . 0 0 "[ . 1 . 2]" 2
73 1 8 CYS HB3 1 11 CYS H . . 3.510 3.303 3.016 3.472 . 0 0 "[ . 1 . 2]" 2
74 1 11 CYS H 1 11 CYS HB3 . . 3.510 2.856 2.757 3.034 . 0 0 "[ . 1 . 2]" 2
75 1 8 CYS HB2 1 11 CYS H . . 4.590 4.415 4.210 4.505 . 0 0 "[ . 1 . 2]" 2
76 1 48 PHE QD 1 49 TYR H . . 3.760 3.501 3.305 3.739 . 0 0 "[ . 1 . 2]" 2
77 1 49 TYR H 1 49 TYR QD . . 3.430 2.937 2.749 3.093 . 0 0 "[ . 1 . 2]" 2
78 1 48 PHE HB2 1 49 TYR H . . 3.230 2.169 2.078 2.407 . 0 0 "[ . 1 . 2]" 2
79 1 48 PHE HB3 1 49 TYR H . . 3.640 3.466 3.381 3.596 . 0 0 "[ . 1 . 2]" 2
80 1 49 TYR H 1 56 TYR HB2 . . 4.360 3.672 3.495 3.811 . 0 0 "[ . 1 . 2]" 2
81 1 49 TYR H 1 49 TYR QB . . 3.320 2.435 2.367 2.498 . 0 0 "[ . 1 . 2]" 2
82 1 24 ALA H 1 27 ARG H . . 3.890 2.787 2.534 2.951 . 0 0 "[ . 1 . 2]" 2
83 1 26 ASP HA 1 27 ARG H . . 3.530 2.887 2.835 2.901 . 0 0 "[ . 1 . 2]" 2
84 1 27 ARG H 1 27 ARG HB2 . . 3.450 2.649 2.644 2.660 . 0 0 "[ . 1 . 2]" 2
85 1 27 ARG H 1 27 ARG HB3 . . 3.910 3.704 3.687 3.717 . 0 0 "[ . 1 . 2]" 2
86 1 25 LEU MD1 1 54 ARG H . . 4.490 3.504 2.835 4.056 . 0 0 "[ . 1 . 2]" 2
87 1 21 GLY HA3 1 22 VAL H . . 3.520 3.275 2.636 3.529 0.009 6 0 "[ . 1 . 2]" 2
88 1 22 VAL H 1 22 VAL MG2 . . 3.880 2.592 2.329 2.936 . 0 0 "[ . 1 . 2]" 2
89 1 42 GLN H 1 42 GLN HG3 . . 3.380 2.949 2.791 3.030 . 0 0 "[ . 1 . 2]" 2
90 1 42 GLN H 1 42 GLN HG2 . . 3.750 3.631 3.477 3.756 0.006 13 0 "[ . 1 . 2]" 2
91 1 42 GLN H 1 42 GLN HB3 . . 3.570 3.504 3.488 3.533 . 0 0 "[ . 1 . 2]" 2
92 1 42 GLN H 1 42 GLN HB2 . . 2.970 2.204 2.180 2.257 . 0 0 "[ . 1 . 2]" 2
93 1 41 ALA MB 1 42 GLN H . . 3.110 2.582 2.391 2.694 . 0 0 "[ . 1 . 2]" 2
94 1 35 VAL MG1 1 42 GLN H . . 4.170 3.899 3.252 4.154 . 0 0 "[ . 1 . 2]" 2
95 1 52 GLU HB3 1 54 ARG H . . 5.450 5.118 4.883 5.472 0.022 17 0 "[ . 1 . 2]" 2
96 1 54 ARG H 1 54 ARG HB2 . . 3.350 2.584 2.561 2.646 . 0 0 "[ . 1 . 2]" 2
97 1 66 GLU H 1 66 GLU HG2 . . 4.560 3.062 2.010 4.594 0.034 19 0 "[ . 1 . 2]" 2
98 1 66 GLU H 1 66 GLU HB2 . . 3.770 2.826 2.145 3.601 . 0 0 "[ . 1 . 2]" 2
99 1 66 GLU H 1 66 GLU HB3 . . 3.770 3.120 2.164 3.602 . 0 0 "[ . 1 . 2]" 2
100 1 65 LEU HB2 1 66 GLU H . . 3.920 2.466 2.349 2.942 . 0 0 "[ . 1 . 2]" 2
101 1 65 LEU HB3 1 66 GLU H . . 4.050 3.571 3.424 4.027 . 0 0 "[ . 1 . 2]" 2
102 1 38 THR H 1 39 CYS H . . 2.940 2.589 2.398 2.657 . 0 0 "[ . 1 . 2]" 2
103 1 38 THR H 1 40 ARG H . . 3.870 3.006 2.969 3.024 . 0 0 "[ . 1 . 2]" 2
104 1 38 THR H 1 56 TYR QD . . 3.810 3.532 3.225 3.848 0.038 12 0 "[ . 1 . 2]" 2
105 1 38 THR H 1 56 TYR QE . . 4.300 3.753 3.499 4.052 . 0 0 "[ . 1 . 2]" 2
106 1 38 THR H 1 56 TYR HA . . 4.520 4.181 4.033 4.328 . 0 0 "[ . 1 . 2]" 2
107 1 38 THR H 1 38 THR HB . . 2.970 2.487 2.437 2.512 . 0 0 "[ . 1 . 2]" 2
108 1 36 CYS HB3 1 38 THR H . . 4.250 3.341 3.223 3.409 . 0 0 "[ . 1 . 2]" 2
109 1 38 THR H 1 40 ARG QD . . 4.780 3.678 3.327 4.434 . 0 0 "[ . 1 . 2]" 2
110 1 49 TYR QD 1 58 GLU H . . 4.420 3.558 3.356 3.726 . 0 0 "[ . 1 . 2]" 2
111 1 57 CYS HB3 1 58 GLU H . . 4.130 3.980 3.886 4.052 . 0 0 "[ . 1 . 2]" 2
112 1 58 GLU H 1 58 GLU HB2 . . 3.210 2.460 2.269 2.564 . 0 0 "[ . 1 . 2]" 2
113 1 58 GLU H 1 58 GLU HB3 . . 3.310 2.695 2.580 2.933 . 0 0 "[ . 1 . 2]" 2
114 1 61 TYR HB3 1 62 VAL H . . 3.580 2.589 2.510 2.695 . 0 0 "[ . 1 . 2]" 2
115 1 62 VAL H 1 62 VAL MG1 . . 3.810 3.763 3.754 3.769 . 0 0 "[ . 1 . 2]" 2
116 1 46 GLN H 1 46 GLN HB3 . . 4.180 3.369 2.508 3.586 . 0 0 "[ . 1 . 2]" 2
117 1 27 ARG HG2 1 28 VAL H . . 4.180 4.172 4.118 4.192 0.012 13 0 "[ . 1 . 2]" 2
118 1 27 ARG HB3 1 28 VAL H . . 2.970 2.183 2.102 2.315 . 0 0 "[ . 1 . 2]" 2
119 1 25 LEU H 1 26 ASP H . . 3.720 2.724 2.620 2.818 . 0 0 "[ . 1 . 2]" 2
120 1 39 CYS H 1 40 ARG H . . 2.930 2.377 2.187 2.455 . 0 0 "[ . 1 . 2]" 2
121 1 36 CYS HB3 1 40 ARG H . . 3.240 1.887 1.876 1.898 . 0 0 "[ . 1 . 2]" 2
122 1 40 ARG H 1 40 ARG QD . . 3.740 2.617 2.063 3.352 . 0 0 "[ . 1 . 2]" 2
123 1 39 CYS HB3 1 40 ARG H . . 4.470 4.085 4.022 4.240 . 0 0 "[ . 1 . 2]" 2
124 1 40 ARG H 1 40 ARG HB2 . . 4.170 3.427 3.284 3.661 . 0 0 "[ . 1 . 2]" 2
125 1 35 VAL MG2 1 40 ARG H . . 4.600 4.265 4.089 4.431 . 0 0 "[ . 1 . 2]" 2
126 1 9 GLY H 1 10 GLY H . . 3.690 2.641 2.171 2.821 . 0 0 "[ . 1 . 2]" 2
127 1 9 GLY H 1 28 VAL H . . 4.370 3.342 3.087 3.953 . 0 0 "[ . 1 . 2]" 2
128 1 9 GLY H 1 29 PHE QE . . 4.610 4.138 3.846 4.469 . 0 0 "[ . 1 . 2]" 2
129 1 9 GLY H 1 29 PHE QD . . 4.530 3.725 3.253 4.042 . 0 0 "[ . 1 . 2]" 2
130 1 9 GLY H 1 29 PHE HA . . 3.500 3.270 2.577 3.516 0.016 15 0 "[ . 1 . 2]" 2
131 1 8 CYS HB2 1 9 GLY H . . 4.530 4.298 3.926 4.420 . 0 0 "[ . 1 . 2]" 2
132 1 9 GLY H 1 15 VAL MG2 . . 4.370 4.030 3.586 4.367 . 0 0 "[ . 1 . 2]" 2
133 1 32 GLY H 1 33 CYS H . . 3.960 2.426 2.159 2.567 . 0 0 "[ . 1 . 2]" 2
134 1 33 CYS H 1 34 PHE H . . 3.150 2.856 2.719 2.927 . 0 0 "[ . 1 . 2]" 2
135 1 30 HIS HB2 1 33 CYS H . . 3.730 2.402 2.316 2.495 . 0 0 "[ . 1 . 2]" 2
136 1 66 GLU H 1 67 SER H . . 4.710 2.832 2.566 3.217 . 0 0 "[ . 1 . 2]" 2
137 1 10 GLY H 1 29 PHE QE . . 4.160 3.410 3.229 3.627 . 0 0 "[ . 1 . 2]" 2
138 1 10 GLY H 1 29 PHE QD . . 3.740 2.224 1.975 2.444 . 0 0 "[ . 1 . 2]" 2
139 1 10 GLY H 1 33 CYS HB3 . . 4.310 4.060 3.680 4.317 0.007 12 0 "[ . 1 . 2]" 2
140 1 8 CYS HB3 1 10 GLY H . . 4.480 4.088 3.888 4.268 . 0 0 "[ . 1 . 2]" 2
141 1 10 GLY H 1 12 GLY H . . 4.230 4.007 3.641 4.200 . 0 0 "[ . 1 . 2]" 2
142 1 12 GLY H 1 13 GLU H . . 3.350 2.463 1.933 2.824 . 0 0 "[ . 1 . 2]" 2
143 1 11 CYS HB3 1 12 GLY H . . 4.660 3.863 3.812 3.896 . 0 0 "[ . 1 . 2]" 2
144 1 25 LEU HB3 1 26 ASP H . . 4.550 4.466 4.451 4.479 . 0 0 "[ . 1 . 2]" 2
145 1 61 TYR HA 1 64 THR H . . 4.040 3.800 3.532 3.970 . 0 0 "[ . 1 . 2]" 2
146 1 62 VAL HA 1 64 THR H . . 4.490 4.345 4.195 4.472 . 0 0 "[ . 1 . 2]" 2
147 1 63 ALA MB 1 64 THR H . . 3.260 2.609 2.447 2.767 . 0 0 "[ . 1 . 2]" 2
148 1 64 THR H 1 65 LEU HG . . 4.470 4.329 4.124 4.465 . 0 0 "[ . 1 . 2]" 2
149 1 64 THR H 1 64 THR MG . . 3.070 2.167 2.014 2.354 . 0 0 "[ . 1 . 2]" 2
150 1 6 SER QB 1 7 GLY H . . 4.190 3.305 2.193 3.961 . 0 0 "[ . 1 . 2]" 2
151 1 24 ALA H 1 29 PHE QD . . 4.530 3.211 2.866 3.493 . 0 0 "[ . 1 . 2]" 2
152 1 58 GLU H 1 59 GLY H . . 3.370 3.134 2.986 3.231 . 0 0 "[ . 1 . 2]" 2
153 1 59 GLY H 1 59 GLY HA3 . . 2.750 2.300 2.294 2.314 . 0 0 "[ . 1 . 2]" 2
154 1 57 CYS HB2 1 59 GLY H . . 3.860 3.209 3.006 3.435 . 0 0 "[ . 1 . 2]" 2
155 1 57 CYS HB3 1 59 GLY H . . 5.060 4.794 4.589 5.042 . 0 0 "[ . 1 . 2]" 2
156 1 58 GLU HB2 1 59 GLY H . . 3.890 3.747 3.498 3.879 . 0 0 "[ . 1 . 2]" 2
157 1 58 GLU HB3 1 59 GLY H . . 3.310 2.358 2.106 2.514 . 0 0 "[ . 1 . 2]" 2
158 1 22 VAL HB 1 23 VAL H . . 4.530 4.339 4.239 4.424 . 0 0 "[ . 1 . 2]" 2
159 1 22 VAL MG1 1 23 VAL H . . 4.070 2.921 2.487 3.134 . 0 0 "[ . 1 . 2]" 2
160 1 37 SER H 1 56 TYR QD . . 4.560 3.722 3.466 4.026 . 0 0 "[ . 1 . 2]" 2
161 1 37 SER H 1 56 TYR QE . . 5.090 4.228 4.017 4.534 . 0 0 "[ . 1 . 2]" 2
162 1 37 SER H 1 57 CYS H . . 5.010 4.345 4.236 4.459 . 0 0 "[ . 1 . 2]" 2
163 1 57 CYS H 1 60 CYS H . . 4.620 4.168 3.993 4.403 . 0 0 "[ . 1 . 2]" 2
164 1 60 CYS H 1 62 VAL H . . 4.750 4.267 4.152 4.357 . 0 0 "[ . 1 . 2]" 2
165 1 59 GLY H 1 60 CYS H . . 3.170 3.100 3.022 3.180 0.010 7 0 "[ . 1 . 2]" 2
166 1 8 CYS H 1 12 GLY H . . 3.810 3.695 3.311 3.875 0.065 11 0 "[ . 1 . 2]" 2
167 1 9 GLY H 1 11 CYS H . . 5.500 4.988 3.946 5.236 . 0 0 "[ . 1 . 2]" 2
168 1 9 GLY H 1 12 GLY H . . 5.500 4.975 4.177 5.209 . 0 0 "[ . 1 . 2]" 2
169 1 8 CYS HB3 1 9 GLY H . . 4.700 4.298 3.799 4.446 . 0 0 "[ . 1 . 2]" 2
170 1 9 GLY H 1 27 ARG HB3 . . 4.470 4.133 3.933 4.480 0.010 11 0 "[ . 1 . 2]" 2
171 1 9 GLY H 1 28 VAL HB . . 4.940 3.699 2.809 4.352 . 0 0 "[ . 1 . 2]" 2
172 1 8 CYS HB2 1 10 GLY H . . 4.830 4.581 4.426 4.694 . 0 0 "[ . 1 . 2]" 2
173 1 10 GLY H 1 33 CYS HB2 . . 4.790 4.608 4.340 4.753 . 0 0 "[ . 1 . 2]" 2
174 1 11 CYS HB3 1 13 GLU H . . 4.910 4.488 4.379 4.764 . 0 0 "[ . 1 . 2]" 2
175 1 7 GLY HA3 1 15 VAL H . . 4.970 4.616 4.177 4.956 . 0 0 "[ . 1 . 2]" 2
176 1 15 VAL MG2 1 16 VAL H . . 4.680 4.164 4.081 4.231 . 0 0 "[ . 1 . 2]" 2
177 1 15 VAL HB 1 16 VAL H . . 4.860 4.380 4.243 4.437 . 0 0 "[ . 1 . 2]" 2
178 1 16 VAL H 1 20 ALA MB . . 4.930 4.595 2.965 4.944 0.014 19 0 "[ . 1 . 2]" 2
179 1 16 VAL H 1 30 HIS HD2 . . 4.970 4.220 3.739 4.673 . 0 0 "[ . 1 . 2]" 2
180 1 20 ALA H 1 21 GLY H . . 4.700 3.626 1.896 4.614 . 0 0 "[ . 1 . 2]" 2
181 1 49 TYR H 1 55 ALA MB . . 4.840 4.398 4.300 4.678 . 0 0 "[ . 1 . 2]" 2
182 1 24 ALA H 1 27 ARG HB2 . . 4.830 3.842 3.306 4.024 . 0 0 "[ . 1 . 2]" 2
183 1 23 VAL HB 1 24 ALA H . . 5.020 4.006 2.773 4.352 . 0 0 "[ . 1 . 2]" 2
184 1 24 ALA H 1 29 PHE QE . . 4.540 3.200 2.500 3.552 . 0 0 "[ . 1 . 2]" 2
185 1 23 VAL MG1 1 24 ALA H . . 4.200 3.014 2.587 3.985 . 0 0 "[ . 1 . 2]" 2
186 1 8 CYS HA 1 28 VAL H . . 4.980 4.408 4.150 4.831 . 0 0 "[ . 1 . 2]" 2
187 1 28 VAL H 1 28 VAL HB . . 3.000 2.687 2.561 2.791 . 0 0 "[ . 1 . 2]" 2
188 1 15 VAL MG2 1 29 PHE H . . 4.910 4.019 3.559 4.543 . 0 0 "[ . 1 . 2]" 2
189 1 15 VAL MG1 1 30 HIS H . . 4.850 4.385 3.964 4.708 . 0 0 "[ . 1 . 2]" 2
190 1 29 PHE QD 1 30 HIS H . . 4.510 4.220 3.942 4.442 . 0 0 "[ . 1 . 2]" 2
191 1 30 HIS H 1 30 HIS HE1 . . 5.500 5.160 4.939 5.410 . 0 0 "[ . 1 . 2]" 2
192 1 30 HIS H 1 33 CYS H . . 4.860 3.831 3.565 3.963 . 0 0 "[ . 1 . 2]" 2
193 1 22 VAL MG2 1 31 VAL H . . 5.130 3.280 3.022 3.739 . 0 0 "[ . 1 . 2]" 2
194 1 30 HIS HD2 1 31 VAL H . . 4.940 3.810 3.470 4.053 . 0 0 "[ . 1 . 2]" 2
195 1 33 CYS H 1 35 VAL MG1 . . 5.000 4.545 4.454 4.657 . 0 0 "[ . 1 . 2]" 2
196 1 32 GLY H 1 34 PHE H . . 5.110 4.071 3.765 4.248 . 0 0 "[ . 1 . 2]" 2
197 1 31 VAL HA 1 34 PHE H . . 4.540 4.325 4.175 4.558 0.018 14 0 "[ . 1 . 2]" 2
198 1 35 VAL H 1 43 LEU MD1 . . 4.890 3.652 3.482 3.917 . 0 0 "[ . 1 . 2]" 2
199 1 34 PHE HB2 1 35 VAL H . . 4.850 4.532 4.468 4.555 . 0 0 "[ . 1 . 2]" 2
200 1 34 PHE QD 1 35 VAL H . . 4.490 3.742 3.337 3.936 . 0 0 "[ . 1 . 2]" 2
201 1 36 CYS H 1 41 ALA HA . . 4.750 4.314 4.095 4.418 . 0 0 "[ . 1 . 2]" 2
202 1 35 VAL H 1 36 CYS H . . 4.800 4.400 4.380 4.423 . 0 0 "[ . 1 . 2]" 2
203 1 36 CYS H 1 37 SER H . . 4.760 4.628 4.614 4.638 . 0 0 "[ . 1 . 2]" 2
204 1 36 CYS H 1 57 CYS H . . 5.410 5.260 5.121 5.420 0.010 18 0 "[ . 1 . 2]" 2
205 1 35 VAL MG2 1 37 SER H . . 5.230 5.106 5.020 5.199 . 0 0 "[ . 1 . 2]" 2
206 1 36 CYS HB3 1 37 SER H . . 4.650 3.382 3.288 3.440 . 0 0 "[ . 1 . 2]" 2
207 1 39 CYS H 1 40 ARG HA . . 4.810 4.619 4.413 4.693 . 0 0 "[ . 1 . 2]" 2
208 1 39 CYS H 1 40 ARG QD . . 4.960 4.107 3.617 4.972 0.012 17 0 "[ . 1 . 2]" 2
209 1 35 VAL MG2 1 41 ALA H . . 4.310 4.128 3.935 4.336 0.026 13 0 "[ . 1 . 2]" 2
210 1 36 CYS HA 1 41 ALA H . . 4.850 4.309 4.186 4.387 . 0 0 "[ . 1 . 2]" 2
211 1 43 LEU H 1 43 LEU MD1 . . 4.560 3.828 3.748 3.938 . 0 0 "[ . 1 . 2]" 2
212 1 42 GLN HB2 1 43 LEU H . . 4.670 4.483 4.364 4.541 . 0 0 "[ . 1 . 2]" 2
213 1 42 GLN HG3 1 43 LEU H . . 5.220 5.152 5.081 5.201 . 0 0 "[ . 1 . 2]" 2
214 1 35 VAL HB 1 43 LEU H . . 5.170 4.167 3.921 4.568 . 0 0 "[ . 1 . 2]" 2
215 1 34 PHE QD 1 44 ARG H . . 4.860 4.036 3.790 4.426 . 0 0 "[ . 1 . 2]" 2
216 1 43 LEU MD2 1 44 ARG H . . 4.630 4.616 4.541 4.655 0.025 8 0 "[ . 1 . 2]" 2
217 1 43 LEU HB3 1 44 ARG H . . 4.800 4.429 4.381 4.464 . 0 0 "[ . 1 . 2]" 2
218 1 46 GLN HB2 1 47 HIS H . . 4.810 2.285 2.109 2.488 . 0 0 "[ . 1 . 2]" 2
219 1 48 PHE H 1 48 PHE QD . . 4.350 2.861 2.545 3.213 . 0 0 "[ . 1 . 2]" 2
220 1 49 TYR H 1 56 TYR H . . 3.790 2.615 2.429 2.792 . 0 0 "[ . 1 . 2]" 2
221 1 43 LEU MD1 1 49 TYR H . . 4.910 4.300 3.981 4.537 . 0 0 "[ . 1 . 2]" 2
222 1 25 LEU MD2 1 50 ALA H . . 5.230 4.986 4.425 5.233 0.003 5 0 "[ . 1 . 2]" 2
223 1 25 LEU MD2 1 51 VAL H . . 5.500 4.508 3.447 4.860 . 0 0 "[ . 1 . 2]" 2
224 1 51 VAL H 1 54 ARG HB2 . . 4.610 3.265 3.019 3.724 . 0 0 "[ . 1 . 2]" 2
225 1 54 ARG H 1 56 TYR QE . . 4.620 4.241 3.876 4.566 . 0 0 "[ . 1 . 2]" 2
226 1 43 LEU MD1 1 55 ALA H . . 5.110 4.656 4.339 5.128 0.018 10 0 "[ . 1 . 2]" 2
227 1 54 ARG HG2 1 55 ALA H . . 4.790 3.712 3.515 4.174 . 0 0 "[ . 1 . 2]" 2
228 1 55 ALA H 1 56 TYR QE . . 5.230 4.419 4.204 4.703 . 0 0 "[ . 1 . 2]" 2
229 1 37 SER H 1 55 ALA H . . 5.000 4.165 3.853 4.503 . 0 0 "[ . 1 . 2]" 2
230 1 43 LEU MD1 1 56 TYR H . . 4.800 3.987 3.704 4.211 . 0 0 "[ . 1 . 2]" 2
231 1 43 LEU MD2 1 56 TYR H . . 5.490 5.100 4.733 5.493 0.003 13 0 "[ . 1 . 2]" 2
232 1 50 ALA MB 1 56 TYR H . . 5.270 4.932 4.838 5.035 . 0 0 "[ . 1 . 2]" 2
233 1 49 TYR QB 1 56 TYR H . . 4.500 3.175 3.035 3.430 . 0 0 "[ . 1 . 2]" 2
234 1 55 ALA H 1 56 TYR H . . 5.010 4.224 4.132 4.386 . 0 0 "[ . 1 . 2]" 2
235 1 43 LEU MD1 1 57 CYS H . . 4.710 3.694 3.294 4.021 . 0 0 "[ . 1 . 2]" 2
236 1 56 TYR QD 1 57 CYS H . . 4.740 4.137 4.014 4.271 . 0 0 "[ . 1 . 2]" 2
237 1 57 CYS HA 1 59 GLY H . . 4.770 4.456 4.297 4.689 . 0 0 "[ . 1 . 2]" 2
238 1 59 GLY H 1 60 CYS QB . . 5.060 4.790 4.698 4.932 . 0 0 "[ . 1 . 2]" 2
239 1 59 GLY H 1 62 VAL MG2 . . 5.170 4.518 4.339 4.685 . 0 0 "[ . 1 . 2]" 2
240 1 57 CYS H 1 61 TYR H . . 5.170 4.044 3.877 4.179 . 0 0 "[ . 1 . 2]" 2
241 1 61 TYR H 1 63 ALA H . . 4.560 4.257 4.170 4.359 . 0 0 "[ . 1 . 2]" 2
242 1 56 TYR QD 1 61 TYR H . . 4.660 4.417 4.109 4.596 . 0 0 "[ . 1 . 2]" 2
243 1 49 TYR QD 1 61 TYR H . . 4.980 4.657 4.413 4.953 . 0 0 "[ . 1 . 2]" 2
244 1 61 TYR H 1 62 VAL MG2 . . 4.690 4.535 4.419 4.639 . 0 0 "[ . 1 . 2]" 2
245 1 61 TYR HB2 1 62 VAL H . . 4.260 3.899 3.835 3.958 . 0 0 "[ . 1 . 2]" 2
246 1 61 TYR QD 1 62 VAL H . . 4.150 3.348 3.205 3.483 . 0 0 "[ . 1 . 2]" 2
247 1 65 LEU MD2 1 66 GLU H . . 4.790 4.694 4.626 4.762 . 0 0 "[ . 1 . 2]" 2
248 1 65 LEU HG 1 66 GLU H . . 4.960 4.246 4.055 4.420 . 0 0 "[ . 1 . 2]" 2
249 1 31 VAL MG2 1 42 GLN HE21 . . 5.120 4.189 3.820 4.621 . 0 0 "[ . 1 . 2]" 2
250 1 32 GLY HA2 1 42 GLN HE21 . . 5.340 2.202 1.892 2.715 . 0 0 "[ . 1 . 2]" 2
251 1 32 GLY HA2 1 42 GLN HE22 . . 5.340 3.388 2.903 3.756 . 0 0 "[ . 1 . 2]" 2
252 1 24 ALA H 1 25 LEU H . . 4.850 4.224 4.005 4.331 . 0 0 "[ . 1 . 2]" 2
253 1 26 ASP H 1 27 ARG H . . 3.410 2.677 2.613 2.707 . 0 0 "[ . 1 . 2]" 2
254 1 53 ARG H 1 54 ARG H . . 3.650 2.650 2.597 2.681 . 0 0 "[ . 1 . 2]" 2
255 1 21 GLY H 1 22 VAL H . . 5.330 3.878 2.802 4.621 . 0 0 "[ . 1 . 2]" 2
256 1 23 VAL H 1 24 ALA H . . 4.650 4.425 4.292 4.595 . 0 0 "[ . 1 . 2]" 2
257 1 26 ASP HB2 1 27 ARG H . . 5.350 4.223 4.207 4.287 . 0 0 "[ . 1 . 2]" 2
258 1 24 ALA MB 1 27 ARG H . . 5.270 4.332 4.243 4.439 . 0 0 "[ . 1 . 2]" 2
259 1 28 VAL H 1 29 PHE H . . 4.970 4.325 4.211 4.493 . 0 0 "[ . 1 . 2]" 2
260 1 29 PHE HB2 1 34 PHE H . . 5.080 3.522 3.326 3.826 . 0 0 "[ . 1 . 2]" 2
261 1 34 PHE HB3 1 35 VAL H . . 5.320 4.310 4.244 4.353 . 0 0 "[ . 1 . 2]" 2
262 1 38 THR MG 1 40 ARG H . . 4.930 4.503 4.398 4.653 . 0 0 "[ . 1 . 2]" 2
263 1 45 GLY H 1 46 GLN H . . 5.460 3.239 2.657 3.674 . 0 0 "[ . 1 . 2]" 2
264 1 48 PHE HA 1 56 TYR H . . 5.060 4.855 4.689 4.968 . 0 0 "[ . 1 . 2]" 2
265 1 49 TYR QD 1 50 ALA H . . 4.850 3.525 3.190 3.800 . 0 0 "[ . 1 . 2]" 2
266 1 54 ARG H 1 54 ARG HG2 . . 4.280 4.063 3.565 4.276 . 0 0 "[ . 1 . 2]" 2
267 1 27 ARG H 1 27 ARG HG2 . . 4.190 3.727 3.698 3.770 . 0 0 "[ . 1 . 2]" 2
268 1 63 ALA H 1 64 THR H . . 3.060 2.701 2.547 2.819 . 0 0 "[ . 1 . 2]" 2
269 1 64 THR H 1 65 LEU H . . 3.290 2.740 2.570 2.869 . 0 0 "[ . 1 . 2]" 2
270 1 62 VAL H 1 64 THR H . . 4.810 4.108 4.008 4.308 . 0 0 "[ . 1 . 2]" 2
271 1 40 ARG H 1 40 ARG HB3 . . 4.170 4.044 3.968 4.095 . 0 0 "[ . 1 . 2]" 2
272 1 22 VAL H 1 23 VAL H . . 5.100 4.288 4.064 4.452 . 0 0 "[ . 1 . 2]" 2
273 1 15 VAL MG1 1 31 VAL H . . 4.760 4.377 3.938 4.745 . 0 0 "[ . 1 . 2]" 2
274 1 36 CYS H 1 40 ARG H . . 4.130 4.083 3.978 4.172 0.042 15 0 "[ . 1 . 2]" 2
275 1 39 CYS H 1 41 ALA H . . 4.340 4.195 4.012 4.314 . 0 0 "[ . 1 . 2]" 2
276 1 59 GLY HA3 1 62 VAL MG2 . . 4.920 4.789 4.403 4.926 0.006 12 0 "[ . 1 . 2]" 2
277 1 59 GLY H 1 59 GLY HA2 . . 2.950 2.755 2.699 2.793 . 0 0 "[ . 1 . 2]" 2
278 1 59 GLY HA2 1 62 VAL HB . . 3.980 3.274 3.142 3.340 . 0 0 "[ . 1 . 2]" 2
279 1 9 GLY HA2 1 29 PHE QE . . 4.400 4.128 3.838 4.326 . 0 0 "[ . 1 . 2]" 2
280 1 8 CYS HA 1 9 GLY HA2 . . 4.640 4.405 4.348 4.438 . 0 0 "[ . 1 . 2]" 2
281 1 9 GLY HA2 1 27 ARG HD2 . . 4.770 3.454 3.242 3.667 . 0 0 "[ . 1 . 2]" 2
282 1 9 GLY HA3 1 27 ARG HB3 . . 3.860 3.527 3.379 3.649 . 0 0 "[ . 1 . 2]" 2
283 1 9 GLY HA3 1 29 PHE QE . . 3.690 2.714 2.412 3.026 . 0 0 "[ . 1 . 2]" 2
284 1 10 GLY HA2 1 29 PHE QE . . 4.030 3.335 2.934 3.572 . 0 0 "[ . 1 . 2]" 2
285 1 10 GLY HA2 1 33 CYS HB3 . . 4.230 4.069 3.949 4.176 . 0 0 "[ . 1 . 2]" 2
286 1 10 GLY HA3 1 11 CYS H . . 3.320 2.484 2.409 2.812 . 0 0 "[ . 1 . 2]" 2
287 1 10 GLY HA3 1 29 PHE QD . . 4.070 2.659 2.414 2.932 . 0 0 "[ . 1 . 2]" 2
288 1 10 GLY HA3 1 33 CYS HB3 . . 3.220 2.508 2.299 2.680 . 0 0 "[ . 1 . 2]" 2
289 1 21 GLY HA2 1 22 VAL H . . 3.040 2.189 2.139 2.492 . 0 0 "[ . 1 . 2]" 2
290 1 68 GLY HA3 1 69 PRO QD . . 3.110 2.614 1.856 3.085 . 0 0 "[ . 1 . 2]" 2
291 1 21 GLY HA3 1 22 VAL MG2 . . 5.310 4.612 4.359 4.899 . 0 0 "[ . 1 . 2]" 2
292 1 7 GLY HA2 1 15 VAL H . . 3.950 3.072 2.432 3.544 . 0 0 "[ . 1 . 2]" 2
293 1 7 GLY HA2 1 15 VAL MG2 . . 4.280 3.522 2.941 3.854 . 0 0 "[ . 1 . 2]" 2
294 1 7 GLY HA3 1 8 CYS H . . 3.160 2.780 2.421 3.020 . 0 0 "[ . 1 . 2]" 2
295 1 17 GLY HA2 1 20 ALA MB . . 4.410 3.751 3.149 4.403 . 0 0 "[ . 1 . 2]" 2
296 1 49 TYR QB 1 56 TYR HB3 . . 4.260 3.568 3.313 3.869 . 0 0 "[ . 1 . 2]" 2
297 1 56 TYR HB3 1 57 CYS H . . 3.800 3.405 3.164 3.500 . 0 0 "[ . 1 . 2]" 2
298 1 56 TYR H 1 56 TYR HB3 . . 3.880 3.760 3.716 3.848 . 0 0 "[ . 1 . 2]" 2
299 1 56 TYR HB3 1 61 TYR QD . . 4.620 3.809 3.547 3.977 . 0 0 "[ . 1 . 2]" 2
300 1 56 TYR HB3 1 61 TYR HB2 . . 3.630 2.872 2.669 3.042 . 0 0 "[ . 1 . 2]" 2
301 1 56 TYR HB2 1 57 CYS H . . 4.540 4.297 4.154 4.382 . 0 0 "[ . 1 . 2]" 2
302 1 56 TYR H 1 56 TYR HB2 . . 3.460 2.608 2.539 2.759 . 0 0 "[ . 1 . 2]" 2
303 1 56 TYR HB2 1 61 TYR H . . 4.330 4.156 4.003 4.332 0.002 16 0 "[ . 1 . 2]" 2
304 1 56 TYR HB2 1 61 TYR QD . . 4.210 3.043 2.839 3.182 . 0 0 "[ . 1 . 2]" 2
305 1 56 TYR HB2 1 61 TYR HA . . 4.180 3.828 3.461 4.050 . 0 0 "[ . 1 . 2]" 2
306 1 56 TYR HB2 1 61 TYR HB2 . . 3.490 2.940 2.671 3.170 . 0 0 "[ . 1 . 2]" 2
307 1 49 TYR QB 1 56 TYR HB2 . . 3.720 2.374 2.115 2.626 . 0 0 "[ . 1 . 2]" 2
308 1 29 PHE H 1 29 PHE HB3 . . 3.950 3.880 3.838 3.929 . 0 0 "[ . 1 . 2]" 2
309 1 29 PHE HB3 1 34 PHE HB2 . . 3.640 2.752 2.163 3.338 . 0 0 "[ . 1 . 2]" 2
310 1 22 VAL HB 1 29 PHE HB3 . . 4.780 4.603 4.373 4.758 . 0 0 "[ . 1 . 2]" 2
311 1 29 PHE HB2 1 30 HIS H . . 4.030 3.856 3.699 3.990 . 0 0 "[ . 1 . 2]" 2
312 1 29 PHE HB2 1 34 PHE HB2 . . 3.650 2.035 1.983 2.279 . 0 0 "[ . 1 . 2]" 2
313 1 54 ARG HB2 1 54 ARG HD2 . . 4.020 2.889 2.563 3.053 . 0 0 "[ . 1 . 2]" 2
314 1 54 ARG HB3 1 54 ARG HD2 . . 3.350 2.889 2.065 3.155 . 0 0 "[ . 1 . 2]" 2
315 1 54 ARG HA 1 54 ARG HD3 . . 4.700 3.991 3.867 4.382 . 0 0 "[ . 1 . 2]" 2
316 1 54 ARG HB3 1 54 ARG HD3 . . 3.350 2.269 2.079 3.374 0.024 12 0 "[ . 1 . 2]" 2
317 1 44 ARG QB 1 44 ARG QD . . 3.390 2.188 2.035 2.631 . 0 0 "[ . 1 . 2]" 2
318 1 53 ARG HA 1 53 ARG QD . . 4.350 3.374 2.202 4.258 . 0 0 "[ . 1 . 2]" 2
319 1 53 ARG HB2 1 53 ARG QD . . 3.520 2.917 2.280 3.505 . 0 0 "[ . 1 . 2]" 2
320 1 53 ARG HB3 1 53 ARG QD . . 3.520 2.393 2.098 2.967 . 0 0 "[ . 1 . 2]" 2
321 1 27 ARG HA 1 27 ARG HD2 . . 3.650 3.538 3.347 3.643 . 0 0 "[ . 1 . 2]" 2
322 1 9 GLY HA3 1 27 ARG HD3 . . 4.520 4.067 3.677 4.340 . 0 0 "[ . 1 . 2]" 2
323 1 40 ARG HA 1 40 ARG QD . . 3.220 2.712 2.305 3.038 . 0 0 "[ . 1 . 2]" 2
324 1 40 ARG HB3 1 40 ARG QD . . 3.560 3.052 2.115 3.483 . 0 0 "[ . 1 . 2]" 2
325 1 35 VAL MG2 1 40 ARG QD . . 3.840 3.487 2.525 3.944 0.104 20 0 "[ . 1 . 2]" 2
326 1 49 TYR QB 1 61 TYR HB2 . . 3.900 2.544 2.313 2.760 . 0 0 "[ . 1 . 2]" 2
327 1 65 LEU HB2 1 65 LEU MD1 . . 3.200 2.185 2.012 2.338 . 0 0 "[ . 1 . 2]" 2
328 1 65 LEU HB3 1 65 LEU MD1 . . 3.200 2.491 2.352 2.624 . 0 0 "[ . 1 . 2]" 2
329 1 14 ASP H 1 14 ASP HB2 . . 3.120 2.594 2.392 2.850 . 0 0 "[ . 1 . 2]" 2
330 1 14 ASP HB2 1 15 VAL H . . 4.150 3.955 3.646 4.146 . 0 0 "[ . 1 . 2]" 2
331 1 14 ASP H 1 14 ASP HB3 . . 3.740 3.584 3.543 3.595 . 0 0 "[ . 1 . 2]" 2
332 1 26 ASP H 1 26 ASP HB2 . . 4.030 3.280 3.254 3.310 . 0 0 "[ . 1 . 2]" 2
333 1 26 ASP HA 1 26 ASP HB2 . . 3.010 2.972 2.964 2.975 . 0 0 "[ . 1 . 2]" 2
334 1 25 LEU HB2 1 26 ASP H . . 4.490 4.211 4.196 4.236 . 0 0 "[ . 1 . 2]" 2
335 1 56 TYR HB3 1 61 TYR HB3 . . 4.640 4.342 4.125 4.549 . 0 0 "[ . 1 . 2]" 2
336 1 49 TYR QB 1 61 TYR HB3 . . 4.440 3.830 3.590 4.082 . 0 0 "[ . 1 . 2]" 2
337 1 25 LEU HB2 1 29 PHE QE . . 3.960 3.529 3.320 3.862 . 0 0 "[ . 1 . 2]" 2
338 1 64 THR HB 1 65 LEU H . . 4.040 3.674 3.508 3.832 . 0 0 "[ . 1 . 2]" 2
339 1 64 THR H 1 64 THR HB . . 3.660 3.617 3.615 3.623 . 0 0 "[ . 1 . 2]" 2
340 1 52 GLU HA 1 52 GLU HG2 . . 3.730 2.469 2.294 3.514 . 0 0 "[ . 1 . 2]" 2
341 1 51 VAL MG1 1 52 GLU HG3 . . 3.780 2.099 1.928 3.373 . 0 0 "[ . 1 . 2]" 2
342 1 22 VAL MG1 1 34 PHE HB3 . . 4.440 3.403 3.066 3.824 . 0 0 "[ . 1 . 2]" 2
343 1 58 GLU H 1 58 GLU QG . . 4.090 3.986 3.870 4.090 . 0 0 "[ . 1 . 2]" 2
344 1 49 TYR QE 1 58 GLU QG . . 3.640 2.913 2.282 3.651 0.011 4 0 "[ . 1 . 2]" 2
345 1 22 VAL MG1 1 34 PHE HB2 . . 4.550 3.382 3.049 3.654 . 0 0 "[ . 1 . 2]" 2
346 1 13 GLU H 1 13 GLU HG2 . . 3.500 2.849 2.575 3.658 0.158 17 0 "[ . 1 . 2]" 2
347 1 13 GLU HA 1 13 GLU HG2 . . 3.670 2.525 2.388 3.647 . 0 0 "[ . 1 . 2]" 2
348 1 13 GLU HG3 1 30 HIS HE1 . . 5.090 4.263 3.950 4.966 . 0 0 "[ . 1 . 2]" 2
349 1 11 CYS HB2 1 13 GLU HG3 . . 4.760 3.642 2.805 4.522 . 0 0 "[ . 1 . 2]" 2
350 1 66 GLU HA 1 66 GLU HG2 . . 4.160 3.357 2.318 4.229 0.069 16 0 "[ . 1 . 2]" 2
351 1 66 GLU H 1 66 GLU HG3 . . 4.560 3.346 2.188 4.617 0.057 13 0 "[ . 1 . 2]" 2
352 1 35 VAL HB 1 40 ARG H . . 5.010 4.940 4.802 5.009 . 0 0 "[ . 1 . 2]" 2
353 1 31 VAL HA 1 34 PHE HB3 . . 4.200 3.757 3.519 4.145 . 0 0 "[ . 1 . 2]" 2
354 1 31 VAL HA 1 31 VAL MG2 . . 3.210 3.193 3.181 3.203 . 0 0 "[ . 1 . 2]" 2
355 1 22 VAL MG2 1 31 VAL HA . . 3.470 2.038 1.936 2.293 . 0 0 "[ . 1 . 2]" 2
356 1 22 VAL H 1 22 VAL HB . . 3.830 2.559 2.474 2.668 . 0 0 "[ . 1 . 2]" 2
357 1 22 VAL HB 1 29 PHE HB2 . . 3.930 3.153 2.973 3.329 . 0 0 "[ . 1 . 2]" 2
358 1 51 VAL HB 1 56 TYR QE . . 3.230 2.453 2.051 2.857 . 0 0 "[ . 1 . 2]" 2
359 1 51 VAL HB 1 54 ARG HB2 . . 4.570 3.809 3.390 4.067 . 0 0 "[ . 1 . 2]" 2
360 1 42 GLN HA 1 42 GLN HG3 . . 3.660 3.120 3.056 3.162 . 0 0 "[ . 1 . 2]" 2
361 1 35 VAL MG1 1 42 GLN HG3 . . 3.880 3.756 3.276 3.933 0.053 20 0 "[ . 1 . 2]" 2
362 1 42 GLN HG2 1 43 LEU H . . 4.350 3.965 3.835 4.028 . 0 0 "[ . 1 . 2]" 2
363 1 35 VAL MG1 1 42 GLN HG2 . . 3.630 2.812 2.508 2.945 . 0 0 "[ . 1 . 2]" 2
364 1 51 VAL HB 1 56 TYR QD . . 4.230 2.738 2.518 2.951 . 0 0 "[ . 1 . 2]" 2
365 1 28 VAL HB 1 29 PHE H . . 4.280 4.161 3.983 4.280 . 0 0 "[ . 1 . 2]" 2
366 1 23 VAL HA 1 28 VAL HB . . 5.480 5.270 5.097 5.391 . 0 0 "[ . 1 . 2]" 2
367 1 15 VAL MG1 1 28 VAL HB . . 5.000 4.467 4.006 4.994 . 0 0 "[ . 1 . 2]" 2
368 1 15 VAL MG2 1 28 VAL HB . . 4.330 3.279 2.923 3.632 . 0 0 "[ . 1 . 2]" 2
369 1 16 VAL H 1 16 VAL HB . . 3.510 3.191 2.547 3.665 0.155 19 0 "[ . 1 . 2]" 2
370 1 27 ARG HB2 1 28 VAL H . . 3.730 3.640 3.569 3.739 0.009 6 0 "[ . 1 . 2]" 2
371 1 46 GLN H 1 46 GLN HG3 . . 4.300 3.333 2.337 3.745 . 0 0 "[ . 1 . 2]" 2
372 1 46 GLN HA 1 46 GLN HG3 . . 4.030 3.664 3.560 3.926 . 0 0 "[ . 1 . 2]" 2
373 1 46 GLN H 1 46 GLN HG2 . . 4.300 2.988 2.145 3.875 . 0 0 "[ . 1 . 2]" 2
374 1 46 GLN HA 1 46 GLN HG2 . . 4.030 3.851 3.612 4.188 0.158 9 0 "[ . 1 . 2]" 2
375 1 43 LEU HA 1 46 GLN HG2 . . 4.140 2.186 1.955 2.625 . 0 0 "[ . 1 . 2]" 2
376 1 27 ARG HB2 1 29 PHE QE . . 3.720 2.164 1.986 2.674 . 0 0 "[ . 1 . 2]" 2
377 1 27 ARG HB3 1 29 PHE QE . . 4.270 2.605 2.175 3.201 . 0 0 "[ . 1 . 2]" 2
378 1 27 ARG HB3 1 29 PHE HZ . . 4.640 2.773 2.670 2.996 . 0 0 "[ . 1 . 2]" 2
379 1 61 TYR QD 1 62 VAL HA . . 4.040 3.265 3.159 3.379 . 0 0 "[ . 1 . 2]" 2
380 1 62 VAL HA 1 65 LEU HB2 . . 3.920 3.272 2.892 3.536 . 0 0 "[ . 1 . 2]" 2
381 1 62 VAL HA 1 65 LEU HG . . 3.410 3.145 2.845 3.368 . 0 0 "[ . 1 . 2]" 2
382 1 62 VAL HA 1 65 LEU MD1 . . 3.300 2.104 1.864 2.446 . 0 0 "[ . 1 . 2]" 2
383 1 38 THR HA 1 38 THR MG . . 2.780 2.428 2.349 2.494 . 0 0 "[ . 1 . 2]" 2
384 1 54 ARG HB2 1 55 ALA H . . 4.140 3.515 3.262 3.625 . 0 0 "[ . 1 . 2]" 2
385 1 54 ARG HB2 1 56 TYR QE . . 3.470 2.184 1.997 2.350 . 0 0 "[ . 1 . 2]" 2
386 1 54 ARG HB2 1 54 ARG HD3 . . 4.020 3.222 2.979 3.950 . 0 0 "[ . 1 . 2]" 2
387 1 54 ARG H 1 54 ARG HB3 . . 4.120 3.710 3.666 3.782 . 0 0 "[ . 1 . 2]" 2
388 1 54 ARG HB3 1 56 TYR QE . . 3.870 2.865 2.574 3.428 . 0 0 "[ . 1 . 2]" 2
389 1 30 HIS H 1 33 CYS HB3 . . 3.860 3.563 3.181 3.795 . 0 0 "[ . 1 . 2]" 2
390 1 33 CYS H 1 33 CYS HB3 . . 3.690 3.579 3.559 3.590 . 0 0 "[ . 1 . 2]" 2
391 1 33 CYS HB3 1 34 PHE H . . 4.650 3.352 3.133 3.619 . 0 0 "[ . 1 . 2]" 2
392 1 29 PHE QD 1 33 CYS HB3 . . 3.770 3.595 3.320 3.779 0.009 8 0 "[ . 1 . 2]" 2
393 1 11 CYS H 1 11 CYS HB2 . . 4.090 3.640 3.592 3.752 . 0 0 "[ . 1 . 2]" 2
394 1 11 CYS HB2 1 12 GLY H . . 4.510 3.520 3.242 3.862 . 0 0 "[ . 1 . 2]" 2
395 1 29 PHE QD 1 33 CYS HB2 . . 4.290 4.163 4.008 4.296 0.006 13 0 "[ . 1 . 2]" 2
396 1 30 HIS H 1 33 CYS HB2 . . 3.590 2.199 1.907 2.417 . 0 0 "[ . 1 . 2]" 2
397 1 33 CYS H 1 33 CYS HB2 . . 3.420 2.413 2.320 2.504 . 0 0 "[ . 1 . 2]" 2
398 1 33 CYS HB2 1 34 PHE H . . 4.430 2.490 2.389 2.689 . 0 0 "[ . 1 . 2]" 2
399 1 10 GLY HA3 1 33 CYS HB2 . . 3.870 3.823 3.757 3.874 0.004 19 0 "[ . 1 . 2]" 2
400 1 30 HIS HB2 1 33 CYS HB2 . . 3.550 2.361 2.047 2.478 . 0 0 "[ . 1 . 2]" 2
401 1 39 CYS H 1 39 CYS HB2 . . 3.720 3.623 3.599 3.683 . 0 0 "[ . 1 . 2]" 2
402 1 39 CYS H 1 39 CYS HB3 . . 3.380 2.509 2.410 2.749 . 0 0 "[ . 1 . 2]" 2
403 1 23 VAL H 1 23 VAL HB . . 3.710 2.742 2.433 3.718 0.008 13 0 "[ . 1 . 2]" 2
404 1 37 SER HB2 1 38 THR H . . 4.380 4.109 3.053 4.270 . 0 0 "[ . 1 . 2]" 2
405 1 37 SER H 1 37 SER HB2 . . 3.550 2.952 2.299 3.117 . 0 0 "[ . 1 . 2]" 2
406 1 37 SER HB2 1 55 ALA H . . 4.390 3.061 2.566 3.416 . 0 0 "[ . 1 . 2]" 2
407 1 37 SER HB2 1 54 ARG HB3 . . 4.180 2.916 2.291 3.150 . 0 0 "[ . 1 . 2]" 2
408 1 37 SER HB3 1 38 THR H . . 4.380 3.157 3.041 3.726 . 0 0 "[ . 1 . 2]" 2
409 1 37 SER H 1 37 SER HB3 . . 3.550 2.496 2.317 3.574 0.024 10 0 "[ . 1 . 2]" 2
410 1 37 SER HB3 1 55 ALA H . . 4.390 3.828 3.407 4.120 . 0 0 "[ . 1 . 2]" 2
411 1 37 SER HB3 1 56 TYR QD . . 5.020 3.752 3.459 4.954 . 0 0 "[ . 1 . 2]" 2
412 1 37 SER HB3 1 56 TYR QE . . 4.250 2.950 2.629 3.831 . 0 0 "[ . 1 . 2]" 2
413 1 37 SER HB3 1 54 ARG HB3 . . 4.180 3.312 3.030 3.567 . 0 0 "[ . 1 . 2]" 2
414 1 60 CYS HA 1 63 ALA H . . 3.270 3.169 3.002 3.265 . 0 0 "[ . 1 . 2]" 2
415 1 64 THR HA 1 64 THR MG . . 2.760 2.381 2.284 2.433 . 0 0 "[ . 1 . 2]" 2
416 1 62 VAL H 1 62 VAL HB . . 3.180 2.482 2.451 2.522 . 0 0 "[ . 1 . 2]" 2
417 1 36 CYS HB3 1 57 CYS H . . 4.300 4.291 4.222 4.344 0.044 13 0 "[ . 1 . 2]" 2
418 1 36 CYS H 1 36 CYS HB3 . . 2.930 2.687 2.646 2.721 . 0 0 "[ . 1 . 2]" 2
419 1 36 CYS HB3 1 43 LEU MD2 . . 4.310 4.241 3.876 4.333 0.023 11 0 "[ . 1 . 2]" 2
420 1 36 CYS HB2 1 40 ARG H . . 3.900 3.639 3.629 3.649 . 0 0 "[ . 1 . 2]" 2
421 1 36 CYS H 1 36 CYS HB2 . . 3.010 2.379 2.349 2.413 . 0 0 "[ . 1 . 2]" 2
422 1 13 GLU HB3 1 14 ASP H . . 3.510 2.697 2.469 2.973 . 0 0 "[ . 1 . 2]" 2
423 1 13 GLU H 1 13 GLU HB3 . . 3.690 3.587 3.557 3.699 0.009 7 0 "[ . 1 . 2]" 2
424 1 13 GLU HB2 1 14 ASP H . . 4.000 3.836 3.569 4.002 0.002 19 0 "[ . 1 . 2]" 2
425 1 30 HIS H 1 30 HIS HB3 . . 4.040 3.560 3.516 3.591 . 0 0 "[ . 1 . 2]" 2
426 1 30 HIS HB3 1 32 GLY H . . 4.310 2.564 2.343 2.740 . 0 0 "[ . 1 . 2]" 2
427 1 30 HIS HB3 1 33 CYS H . . 4.020 2.946 2.648 3.110 . 0 0 "[ . 1 . 2]" 2
428 1 30 HIS HB3 1 33 CYS HB2 . . 4.000 3.876 3.475 4.003 0.003 4 0 "[ . 1 . 2]" 2
429 1 57 CYS H 1 57 CYS HB2 . . 3.840 3.593 3.587 3.604 . 0 0 "[ . 1 . 2]" 2
430 1 57 CYS HB2 1 58 GLU H . . 3.220 2.857 2.680 2.958 . 0 0 "[ . 1 . 2]" 2
431 1 43 LEU MD2 1 57 CYS HB2 . . 3.330 3.124 2.964 3.344 0.014 11 0 "[ . 1 . 2]" 2
432 1 8 CYS HB3 1 13 GLU H . . 3.360 2.993 1.928 3.232 . 0 0 "[ . 1 . 2]" 2
433 1 8 CYS HB3 1 12 GLY H . . 3.120 1.962 1.874 2.098 . 0 0 "[ . 1 . 2]" 2
434 1 8 CYS HB3 1 30 HIS HE1 . . 3.840 3.302 3.103 3.718 . 0 0 "[ . 1 . 2]" 2
435 1 8 CYS HB3 1 15 VAL MG2 . . 3.450 3.257 3.084 3.450 . 0 0 "[ . 1 . 2]" 2
436 1 36 CYS HB2 1 57 CYS HB3 . . 3.330 3.037 2.924 3.159 . 0 0 "[ . 1 . 2]" 2
437 1 43 LEU MD2 1 57 CYS HB3 . . 3.180 1.976 1.819 2.208 . 0 0 "[ . 1 . 2]" 2
438 1 36 CYS HB2 1 57 CYS HB2 . . 4.720 4.682 4.601 4.737 0.017 7 0 "[ . 1 . 2]" 2
439 1 8 CYS H 1 8 CYS HB2 . . 3.090 2.903 2.595 3.088 . 0 0 "[ . 1 . 2]" 2
440 1 8 CYS HB2 1 12 GLY H . . 3.810 3.674 3.573 3.803 . 0 0 "[ . 1 . 2]" 2
441 1 8 CYS HB2 1 30 HIS H . . 4.060 3.931 3.726 4.063 0.003 6 0 "[ . 1 . 2]" 2
442 1 8 CYS HB2 1 13 GLU H . . 4.780 4.380 3.311 4.698 . 0 0 "[ . 1 . 2]" 2
443 1 8 CYS HB2 1 15 VAL H . . 5.210 4.419 4.101 4.801 . 0 0 "[ . 1 . 2]" 2
444 1 49 TYR QE 1 58 GLU HB3 . . 4.660 4.543 4.350 4.667 0.007 11 0 "[ . 1 . 2]" 2
445 1 31 VAL MG2 1 44 ARG QB . . 4.500 4.090 3.438 4.538 0.038 19 0 "[ . 1 . 2]" 2
446 1 51 VAL HA 1 52 GLU H . . 3.340 2.147 2.140 2.227 . 0 0 "[ . 1 . 2]" 2
447 1 50 ALA MB 1 51 VAL HA . . 4.480 4.043 3.999 4.083 . 0 0 "[ . 1 . 2]" 2
448 1 51 VAL HA 1 51 VAL MG1 . . 2.920 2.399 2.311 2.462 . 0 0 "[ . 1 . 2]" 2
449 1 51 VAL HA 1 51 VAL MG2 . . 3.110 2.361 2.269 2.457 . 0 0 "[ . 1 . 2]" 2
450 1 46 GLN H 1 46 GLN HB2 . . 4.060 4.006 3.588 4.056 . 0 0 "[ . 1 . 2]" 2
451 1 35 VAL MG2 1 37 SER HA . . 4.440 4.240 4.164 4.348 . 0 0 "[ . 1 . 2]" 2
452 1 57 CYS H 1 60 CYS QB . . 3.550 2.830 2.630 2.979 . 0 0 "[ . 1 . 2]" 2
453 1 56 TYR HB2 1 60 CYS QB . . 4.470 4.403 4.308 4.478 0.008 12 0 "[ . 1 . 2]" 2
454 1 38 THR H 1 60 CYS QB . . 4.550 4.353 4.179 4.543 . 0 0 "[ . 1 . 2]" 2
455 1 56 TYR QD 1 60 CYS QB . . 3.300 2.660 2.306 2.820 . 0 0 "[ . 1 . 2]" 2
456 1 56 TYR QE 1 60 CYS QB . . 4.620 4.427 4.009 4.624 0.004 2 0 "[ . 1 . 2]" 2
457 1 56 TYR HB3 1 60 CYS QB . . 3.430 2.886 2.790 2.965 . 0 0 "[ . 1 . 2]" 2
458 1 38 THR MG 1 60 CYS QB . . 3.880 3.707 3.536 3.856 . 0 0 "[ . 1 . 2]" 2
459 1 46 GLN HB3 1 47 HIS H . . 4.230 3.719 3.527 3.864 . 0 0 "[ . 1 . 2]" 2
460 1 16 VAL HA 1 17 GLY H . . 3.230 2.274 2.144 2.586 . 0 0 "[ . 1 . 2]" 2
461 1 16 VAL HA 1 16 VAL MG1 . . 3.210 2.712 2.304 3.204 . 0 0 "[ . 1 . 2]" 2
462 1 47 HIS H 1 47 HIS QB . . 3.790 2.472 2.180 2.925 . 0 0 "[ . 1 . 2]" 2
463 1 47 HIS QB 1 58 GLU HB2 . . 4.480 3.677 2.903 4.445 . 0 0 "[ . 1 . 2]" 2
464 1 15 VAL HA 1 16 VAL H . . 2.850 2.163 2.141 2.181 . 0 0 "[ . 1 . 2]" 2
465 1 15 VAL HA 1 30 HIS HD2 . . 3.850 3.326 2.874 3.801 . 0 0 "[ . 1 . 2]" 2
466 1 15 VAL HA 1 15 VAL MG2 . . 3.070 2.365 2.256 2.464 . 0 0 "[ . 1 . 2]" 2
467 1 47 HIS QB 1 48 PHE H . . 4.660 3.101 2.388 3.822 . 0 0 "[ . 1 . 2]" 2
468 1 23 VAL HA 1 24 ALA H . . 2.760 2.165 2.140 2.264 . 0 0 "[ . 1 . 2]" 2
469 1 23 VAL HA 1 29 PHE H . . 4.490 3.605 2.977 4.098 . 0 0 "[ . 1 . 2]" 2
470 1 42 GLN HB3 1 43 LEU H . . 4.310 3.597 3.330 3.738 . 0 0 "[ . 1 . 2]" 2
471 1 41 ALA HA 1 42 GLN HB2 . . 4.570 4.498 4.465 4.542 . 0 0 "[ . 1 . 2]" 2
472 1 56 TYR QD 1 61 TYR HA . . 4.620 4.336 4.052 4.601 . 0 0 "[ . 1 . 2]" 2
473 1 61 TYR HA 1 64 THR MG . . 3.470 2.838 2.555 3.057 . 0 0 "[ . 1 . 2]" 2
474 1 61 TYR HA 1 63 ALA H . . 5.070 4.580 4.400 4.709 . 0 0 "[ . 1 . 2]" 2
475 1 61 TYR HA 1 65 LEU H . . 5.500 4.717 4.470 4.989 . 0 0 "[ . 1 . 2]" 2
476 1 61 TYR HA 1 61 TYR QD . . 3.050 2.885 2.823 2.948 . 0 0 "[ . 1 . 2]" 2
477 1 56 TYR HB3 1 61 TYR HA . . 3.810 3.132 2.874 3.395 . 0 0 "[ . 1 . 2]" 2
478 1 51 VAL MG2 1 61 TYR HA . . 5.030 4.888 4.680 5.026 . 0 0 "[ . 1 . 2]" 2
479 1 58 GLU HA 1 62 VAL H . . 4.460 4.120 3.914 4.304 . 0 0 "[ . 1 . 2]" 2
480 1 49 TYR QD 1 58 GLU HA . . 3.280 2.752 2.568 3.023 . 0 0 "[ . 1 . 2]" 2
481 1 49 TYR QE 1 58 GLU HA . . 3.420 2.335 2.054 2.675 . 0 0 "[ . 1 . 2]" 2
482 1 58 GLU HA 1 61 TYR QD . . 4.170 3.964 3.670 4.183 0.013 12 0 "[ . 1 . 2]" 2
483 1 58 GLU HA 1 61 TYR HB2 . . 3.810 3.701 3.575 3.804 . 0 0 "[ . 1 . 2]" 2
484 1 58 GLU HA 1 61 TYR HB3 . . 3.300 2.674 2.537 2.795 . 0 0 "[ . 1 . 2]" 2
485 1 58 GLU HA 1 58 GLU QG . . 3.340 2.479 2.248 2.868 . 0 0 "[ . 1 . 2]" 2
486 1 58 GLU HA 1 62 VAL MG2 . . 4.290 3.548 3.301 3.726 . 0 0 "[ . 1 . 2]" 2
487 1 22 VAL HA 1 23 VAL H . . 2.690 2.151 2.140 2.166 . 0 0 "[ . 1 . 2]" 2
488 1 22 VAL HA 1 22 VAL MG2 . . 3.440 2.359 2.264 2.468 . 0 0 "[ . 1 . 2]" 2
489 1 22 VAL HA 1 22 VAL MG1 . . 3.550 2.339 2.298 2.430 . 0 0 "[ . 1 . 2]" 2
490 1 28 VAL HA 1 29 PHE QD . . 3.920 3.426 3.034 3.941 0.021 10 0 "[ . 1 . 2]" 2
491 1 23 VAL MG1 1 28 VAL HA . . 4.900 3.780 2.449 4.432 . 0 0 "[ . 1 . 2]" 2
492 1 28 VAL HA 1 29 PHE H . . 2.770 2.161 2.139 2.225 . 0 0 "[ . 1 . 2]" 2
493 1 24 ALA H 1 28 VAL HA . . 3.790 3.488 3.362 3.732 . 0 0 "[ . 1 . 2]" 2
494 1 23 VAL HA 1 28 VAL HA . . 3.050 2.485 2.199 2.749 . 0 0 "[ . 1 . 2]" 2
495 1 33 CYS HA 1 33 CYS HB3 . . 3.010 2.548 2.501 2.593 . 0 0 "[ . 1 . 2]" 2
496 1 36 CYS HA 1 57 CYS H . . 3.910 3.804 3.702 3.913 0.003 19 0 "[ . 1 . 2]" 2
497 1 36 CYS HA 1 38 THR H . . 4.360 4.149 4.091 4.215 . 0 0 "[ . 1 . 2]" 2
498 1 36 CYS HA 1 37 SER H . . 2.700 2.443 2.431 2.465 . 0 0 "[ . 1 . 2]" 2
499 1 36 CYS HA 1 56 TYR HA . . 3.610 3.349 3.171 3.555 . 0 0 "[ . 1 . 2]" 2
500 1 36 CYS HA 1 43 LEU HG . . 4.560 3.860 3.625 4.046 . 0 0 "[ . 1 . 2]" 2
501 1 36 CYS HA 1 55 ALA MB . . 4.060 2.825 2.428 3.127 . 0 0 "[ . 1 . 2]" 2
502 1 36 CYS HA 1 43 LEU MD2 . . 3.920 3.724 3.392 3.909 . 0 0 "[ . 1 . 2]" 2
503 1 36 CYS HA 1 43 LEU MD1 . . 3.160 2.096 1.961 2.381 . 0 0 "[ . 1 . 2]" 2
504 1 53 ARG H 1 53 ARG HG3 . . 4.440 3.608 2.804 4.409 . 0 0 "[ . 1 . 2]" 2
505 1 52 GLU HB2 1 53 ARG H . . 4.570 4.234 4.190 4.338 . 0 0 "[ . 1 . 2]" 2
506 1 51 VAL MG1 1 52 GLU HB2 . . 4.300 3.046 2.765 4.220 . 0 0 "[ . 1 . 2]" 2
507 1 52 GLU HB3 1 53 ARG H . . 4.570 4.435 4.368 4.667 0.097 17 0 "[ . 1 . 2]" 2
508 1 51 VAL MG1 1 52 GLU HB3 . . 4.300 4.140 3.275 4.289 . 0 0 "[ . 1 . 2]" 2
509 1 54 ARG HG3 1 55 ALA H . . 4.790 4.675 4.602 4.831 0.041 12 0 "[ . 1 . 2]" 2
510 1 54 ARG H 1 54 ARG HG3 . . 4.280 3.546 3.087 3.737 . 0 0 "[ . 1 . 2]" 2
511 1 40 ARG HA 1 40 ARG HG2 . . 4.230 3.421 2.965 3.624 . 0 0 "[ . 1 . 2]" 2
512 1 40 ARG HA 1 40 ARG HG3 . . 4.230 2.796 2.267 3.887 . 0 0 "[ . 1 . 2]" 2
513 1 35 VAL MG2 1 40 ARG HG2 . . 4.500 3.730 3.247 4.452 . 0 0 "[ . 1 . 2]" 2
514 1 25 LEU H 1 25 LEU HG . . 3.960 2.713 2.606 2.890 . 0 0 "[ . 1 . 2]" 2
515 1 25 LEU HG 1 48 PHE QE . . 4.650 4.253 3.856 4.467 . 0 0 "[ . 1 . 2]" 2
516 1 35 VAL MG2 1 40 ARG HG3 . . 4.500 2.997 2.309 4.427 . 0 0 "[ . 1 . 2]" 2
517 1 11 CYS HA 1 11 CYS HB2 . . 2.820 2.487 2.402 2.575 . 0 0 "[ . 1 . 2]" 2
518 1 11 CYS HA 1 11 CYS HB3 . . 2.900 2.421 2.348 2.506 . 0 0 "[ . 1 . 2]" 2
519 1 44 ARG HA 1 44 ARG HG2 . . 3.920 3.219 2.188 3.921 0.001 11 0 "[ . 1 . 2]" 2
520 1 44 ARG H 1 44 ARG HG3 . . 4.550 4.001 3.169 4.560 0.010 8 0 "[ . 1 . 2]" 2
521 1 35 VAL MG2 1 40 ARG HB2 . . 4.340 3.874 3.734 4.097 . 0 0 "[ . 1 . 2]" 2
522 1 27 ARG HG2 1 29 PHE QE . . 5.500 4.629 4.445 5.098 . 0 0 "[ . 1 . 2]" 2
523 1 27 ARG HG2 1 29 PHE HZ . . 5.500 4.510 4.366 4.883 . 0 0 "[ . 1 . 2]" 2
524 1 27 ARG H 1 27 ARG HG3 . . 4.480 4.416 4.380 4.448 . 0 0 "[ . 1 . 2]" 2
525 1 27 ARG HG3 1 28 VAL H . . 4.790 4.518 4.464 4.615 . 0 0 "[ . 1 . 2]" 2
526 1 27 ARG HA 1 27 ARG HG3 . . 3.850 3.628 3.614 3.634 . 0 0 "[ . 1 . 2]" 2
527 1 8 CYS HA 1 10 GLY H . . 4.290 3.678 3.573 4.044 . 0 0 "[ . 1 . 2]" 2
528 1 8 CYS HA 1 30 HIS H . . 4.620 4.474 4.169 4.631 0.011 11 0 "[ . 1 . 2]" 2
529 1 8 CYS HA 1 9 GLY H . . 2.600 2.173 2.144 2.308 . 0 0 "[ . 1 . 2]" 2
530 1 7 GLY HA2 1 8 CYS HA . . 4.870 4.365 4.313 4.424 . 0 0 "[ . 1 . 2]" 2
531 1 8 CYS HA 1 9 GLY HA3 . . 4.620 4.384 4.376 4.389 . 0 0 "[ . 1 . 2]" 2
532 1 8 CYS HA 1 15 VAL MG2 . . 3.150 2.343 1.951 2.632 . 0 0 "[ . 1 . 2]" 2
533 1 52 GLU HA 1 53 ARG H . . 3.560 2.811 2.762 2.852 . 0 0 "[ . 1 . 2]" 2
534 1 52 GLU HA 1 52 GLU HG3 . . 3.730 3.203 2.834 3.858 0.128 17 0 "[ . 1 . 2]" 2
535 1 51 VAL MG1 1 52 GLU HA . . 4.690 3.917 3.608 4.100 . 0 0 "[ . 1 . 2]" 2
536 1 25 LEU MD1 1 48 PHE QE . . 4.820 4.658 4.153 4.841 0.021 8 0 "[ . 1 . 2]" 2
537 1 25 LEU MD1 1 29 PHE QE . . 3.960 3.667 3.478 3.844 . 0 0 "[ . 1 . 2]" 2
538 1 25 LEU MD1 1 53 ARG HA . . 4.500 2.879 2.374 3.230 . 0 0 "[ . 1 . 2]" 2
539 1 25 LEU HB2 1 25 LEU MD1 . . 3.160 2.082 1.980 2.257 . 0 0 "[ . 1 . 2]" 2
540 1 6 SER HA 1 7 GLY H . . 3.530 2.685 2.142 3.558 0.028 14 0 "[ . 1 . 2]" 2
541 1 57 CYS HA 1 58 GLU H . . 2.830 2.247 2.217 2.306 . 0 0 "[ . 1 . 2]" 2
542 1 49 TYR QD 1 57 CYS HA . . 4.400 4.029 3.674 4.346 . 0 0 "[ . 1 . 2]" 2
543 1 57 CYS HA 1 57 CYS HB2 . . 2.870 2.471 2.428 2.517 . 0 0 "[ . 1 . 2]" 2
544 1 57 CYS HA 1 57 CYS HB3 . . 3.010 2.436 2.394 2.478 . 0 0 "[ . 1 . 2]" 2
545 1 57 CYS HA 1 58 GLU HB2 . . 4.810 4.669 4.481 4.774 . 0 0 "[ . 1 . 2]" 2
546 1 43 LEU MD2 1 57 CYS HA . . 2.920 2.746 2.497 2.923 0.003 5 0 "[ . 1 . 2]" 2
547 1 43 LEU MD1 1 57 CYS HA . . 4.400 3.881 3.599 4.166 . 0 0 "[ . 1 . 2]" 2
548 1 40 ARG H 1 40 ARG HA . . 2.580 2.276 2.274 2.278 . 0 0 "[ . 1 . 2]" 2
549 1 36 CYS HB3 1 40 ARG HA . . 3.890 2.587 2.509 2.673 . 0 0 "[ . 1 . 2]" 2
550 1 35 VAL HB 1 40 ARG HA . . 3.010 2.945 2.809 3.023 0.013 15 0 "[ . 1 . 2]" 2
551 1 35 VAL MG2 1 40 ARG HA . . 3.000 2.224 2.004 2.497 . 0 0 "[ . 1 . 2]" 2
552 1 34 PHE QE 1 43 LEU MD1 . . 4.200 3.429 3.132 3.673 . 0 0 "[ . 1 . 2]" 2
553 1 43 LEU MD1 1 48 PHE HB2 . . 3.700 2.826 2.530 3.087 . 0 0 "[ . 1 . 2]" 2
554 1 43 LEU MD1 1 48 PHE HB3 . . 3.910 2.667 2.333 2.987 . 0 0 "[ . 1 . 2]" 2
555 1 43 LEU HB2 1 43 LEU MD1 . . 3.640 2.263 2.168 2.378 . 0 0 "[ . 1 . 2]" 2
556 1 43 LEU HB3 1 43 LEU MD1 . . 3.640 2.413 2.293 2.484 . 0 0 "[ . 1 . 2]" 2
557 1 42 GLN HA 1 43 LEU H . . 2.680 2.144 2.140 2.156 . 0 0 "[ . 1 . 2]" 2
558 1 42 GLN HA 1 42 GLN HG2 . . 3.370 2.177 2.160 2.213 . 0 0 "[ . 1 . 2]" 2
559 1 35 VAL HB 1 42 GLN HA . . 4.100 3.529 3.386 3.677 . 0 0 "[ . 1 . 2]" 2
560 1 41 ALA MB 1 42 GLN HA . . 4.630 4.366 4.260 4.458 . 0 0 "[ . 1 . 2]" 2
561 1 42 GLN HA 1 43 LEU HG . . 3.950 3.883 3.760 3.997 0.047 15 0 "[ . 1 . 2]" 2
562 1 35 VAL MG1 1 42 GLN HA . . 2.780 2.107 1.974 2.291 . 0 0 "[ . 1 . 2]" 2
563 1 56 TYR HA 1 57 CYS H . . 2.780 2.143 2.137 2.168 . 0 0 "[ . 1 . 2]" 2
564 1 49 TYR H 1 56 TYR HA . . 5.300 4.446 4.281 4.639 . 0 0 "[ . 1 . 2]" 2
565 1 37 SER H 1 56 TYR HA . . 3.430 3.098 2.948 3.204 . 0 0 "[ . 1 . 2]" 2
566 1 56 TYR HA 1 56 TYR QD . . 3.390 2.845 2.680 2.963 . 0 0 "[ . 1 . 2]" 2
567 1 56 TYR HA 1 56 TYR HB3 . . 3.000 2.505 2.487 2.548 . 0 0 "[ . 1 . 2]" 2
568 1 56 TYR HA 1 60 CYS QB . . 4.010 3.520 3.379 3.640 . 0 0 "[ . 1 . 2]" 2
569 1 56 TYR HA 1 57 CYS HB3 . . 4.730 4.595 4.495 4.665 . 0 0 "[ . 1 . 2]" 2
570 1 55 ALA MB 1 56 TYR HA . . 4.500 4.085 3.940 4.138 . 0 0 "[ . 1 . 2]" 2
571 1 43 LEU MD1 1 56 TYR HA . . 4.190 3.864 3.569 4.221 0.031 15 0 "[ . 1 . 2]" 2
572 1 44 ARG HA 1 44 ARG HG3 . . 3.920 3.306 2.465 3.876 . 0 0 "[ . 1 . 2]" 2
573 1 49 TYR HA 1 50 ALA H . . 2.990 2.339 2.197 2.513 . 0 0 "[ . 1 . 2]" 2
574 1 49 TYR HA 1 49 TYR QD . . 3.610 3.066 3.039 3.095 . 0 0 "[ . 1 . 2]" 2
575 1 61 TYR QD 1 65 LEU MD1 . . 4.240 3.068 2.415 3.400 . 0 0 "[ . 1 . 2]" 2
576 1 66 GLU HA 1 66 GLU HG3 . . 4.160 3.297 2.227 3.787 . 0 0 "[ . 1 . 2]" 2
577 1 47 HIS HA 1 48 PHE H . . 3.420 2.227 2.139 2.415 . 0 0 "[ . 1 . 2]" 2
578 1 14 ASP HA 1 15 VAL H . . 2.610 2.216 2.145 2.305 . 0 0 "[ . 1 . 2]" 2
579 1 8 CYS H 1 14 ASP HA . . 3.990 3.511 3.036 4.012 0.022 14 0 "[ . 1 . 2]" 2
580 1 14 ASP HA 1 15 VAL HA . . 4.470 4.380 4.358 4.400 . 0 0 "[ . 1 . 2]" 2
581 1 7 GLY HA2 1 14 ASP HA . . 3.000 2.103 2.000 2.448 . 0 0 "[ . 1 . 2]" 2
582 1 7 GLY HA3 1 14 ASP HA . . 4.100 3.779 3.598 3.991 . 0 0 "[ . 1 . 2]" 2
583 1 14 ASP HA 1 14 ASP HB3 . . 2.910 2.437 2.331 2.528 . 0 0 "[ . 1 . 2]" 2
584 1 14 ASP HA 1 15 VAL HB . . 4.670 4.618 4.574 4.674 0.004 4 0 "[ . 1 . 2]" 2
585 1 14 ASP HA 1 15 VAL MG2 . . 3.820 3.537 3.374 3.746 . 0 0 "[ . 1 . 2]" 2
586 1 34 PHE HA 1 35 VAL H . . 2.740 2.168 2.144 2.178 . 0 0 "[ . 1 . 2]" 2
587 1 29 PHE QD 1 34 PHE HA . . 4.250 4.117 4.015 4.250 0.000 16 0 "[ . 1 . 2]" 2
588 1 34 PHE HA 1 34 PHE QD . . 2.950 2.261 2.072 2.424 . 0 0 "[ . 1 . 2]" 2
589 1 29 PHE HB3 1 34 PHE HA . . 4.430 3.205 2.927 3.400 . 0 0 "[ . 1 . 2]" 2
590 1 34 PHE HA 1 35 VAL MG1 . . 4.320 3.803 3.651 3.885 . 0 0 "[ . 1 . 2]" 2
591 1 29 PHE HA 1 30 HIS H . . 2.850 2.234 2.183 2.306 . 0 0 "[ . 1 . 2]" 2
592 1 29 PHE HA 1 29 PHE QD . . 3.550 3.010 2.658 3.178 . 0 0 "[ . 1 . 2]" 2
593 1 8 CYS HA 1 29 PHE HA . . 3.440 3.207 2.963 3.457 0.017 14 0 "[ . 1 . 2]" 2
594 1 15 VAL MG2 1 29 PHE HA . . 3.650 3.352 3.091 3.612 . 0 0 "[ . 1 . 2]" 2
595 1 13 GLU HA 1 14 ASP H . . 2.650 2.302 2.209 2.396 . 0 0 "[ . 1 . 2]" 2
596 1 13 GLU HA 1 13 GLU HB3 . . 3.010 2.496 2.429 2.611 . 0 0 "[ . 1 . 2]" 2
597 1 13 GLU HA 1 13 GLU HG3 . . 3.670 3.445 2.489 3.675 0.005 8 0 "[ . 1 . 2]" 2
598 1 26 ASP H 1 26 ASP HA . . 2.590 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 2
599 1 26 ASP HA 1 26 ASP HB3 . . 2.920 2.680 2.675 2.696 . 0 0 "[ . 1 . 2]" 2
600 1 65 LEU HA 1 65 LEU HB3 . . 3.010 2.446 2.390 2.506 . 0 0 "[ . 1 . 2]" 2
601 1 65 LEU HA 1 65 LEU HG . . 3.690 3.025 2.922 3.155 . 0 0 "[ . 1 . 2]" 2
602 1 25 LEU H 1 25 LEU HA . . 2.840 2.275 2.273 2.277 . 0 0 "[ . 1 . 2]" 2
603 1 25 LEU HA 1 26 ASP H . . 3.260 2.776 2.751 2.798 . 0 0 "[ . 1 . 2]" 2
604 1 25 LEU HA 1 25 LEU HG . . 3.680 3.018 2.956 3.126 . 0 0 "[ . 1 . 2]" 2
605 1 25 LEU MD2 1 48 PHE QE . . 4.740 4.551 4.235 4.746 0.006 17 0 "[ . 1 . 2]" 2
606 1 25 LEU HA 1 25 LEU MD2 . . 2.830 2.431 2.239 2.623 . 0 0 "[ . 1 . 2]" 2
607 1 48 PHE HA 1 49 TYR H . . 2.990 2.526 2.416 2.570 . 0 0 "[ . 1 . 2]" 2
608 1 48 PHE HA 1 48 PHE QD . . 4.070 3.654 3.584 3.705 . 0 0 "[ . 1 . 2]" 2
609 1 48 PHE HA 1 49 TYR QD . . 3.630 3.122 2.892 3.300 . 0 0 "[ . 1 . 2]" 2
610 1 48 PHE HA 1 48 PHE HB2 . . 2.990 2.575 2.537 2.610 . 0 0 "[ . 1 . 2]" 2
611 1 54 ARG HA 1 55 ALA H . . 2.760 2.558 2.528 2.589 . 0 0 "[ . 1 . 2]" 2
612 1 54 ARG HA 1 54 ARG HG2 . . 3.560 2.261 2.184 2.425 . 0 0 "[ . 1 . 2]" 2
613 1 54 ARG HA 1 54 ARG HG3 . . 3.560 3.203 3.017 3.453 . 0 0 "[ . 1 . 2]" 2
614 1 25 LEU MD1 1 54 ARG HA . . 3.960 3.461 2.618 3.949 . 0 0 "[ . 1 . 2]" 2
615 1 54 ARG HA 1 55 ALA MB . . 4.430 3.857 3.792 3.922 . 0 0 "[ . 1 . 2]" 2
616 1 38 THR H 1 38 THR MG . . 3.880 3.786 3.755 3.798 . 0 0 "[ . 1 . 2]" 2
617 1 38 THR MG 1 39 CYS H . . 3.500 2.822 2.665 3.076 . 0 0 "[ . 1 . 2]" 2
618 1 38 THR MG 1 56 TYR QE . . 4.570 4.366 4.085 4.531 . 0 0 "[ . 1 . 2]" 2
619 1 38 THR MG 1 39 CYS HB3 . . 3.840 3.294 3.084 3.436 . 0 0 "[ . 1 . 2]" 2
620 1 46 GLN HA 1 47 HIS H . . 3.480 2.507 2.401 2.567 . 0 0 "[ . 1 . 2]" 2
621 1 46 GLN HA 1 48 PHE QE . . 5.500 5.475 5.317 5.523 0.023 18 0 "[ . 1 . 2]" 2
622 1 24 ALA MB 1 25 LEU H . . 3.760 2.990 2.783 3.236 . 0 0 "[ . 1 . 2]" 2
623 1 24 ALA H 1 24 ALA MB . . 3.590 2.701 2.612 2.772 . 0 0 "[ . 1 . 2]" 2
624 1 24 ALA MB 1 48 PHE QE . . 3.800 2.806 2.334 3.244 . 0 0 "[ . 1 . 2]" 2
625 1 24 ALA MB 1 29 PHE QE . . 3.810 2.943 1.964 3.355 . 0 0 "[ . 1 . 2]" 2
626 1 24 ALA MB 1 29 PHE QD . . 4.060 2.990 2.239 3.449 . 0 0 "[ . 1 . 2]" 2
627 1 24 ALA MB 1 34 PHE QE . . 3.730 2.285 2.004 2.551 . 0 0 "[ . 1 . 2]" 2
628 1 24 ALA MB 1 34 PHE HZ . . 3.770 2.389 1.936 2.609 . 0 0 "[ . 1 . 2]" 2
629 1 62 VAL HB 1 63 ALA HA . . 4.820 4.263 4.205 4.322 . 0 0 "[ . 1 . 2]" 2
630 1 24 ALA MB 1 25 LEU HG . . 3.720 2.779 2.533 2.931 . 0 0 "[ . 1 . 2]" 2
631 1 65 LEU H 1 65 LEU MD2 . . 4.010 3.402 3.189 3.573 . 0 0 "[ . 1 . 2]" 2
632 1 61 TYR QE 1 65 LEU MD2 . . 3.920 3.727 3.131 3.920 . 0 0 "[ . 1 . 2]" 2
633 1 65 LEU HA 1 65 LEU MD2 . . 2.740 2.255 1.982 2.564 . 0 0 "[ . 1 . 2]" 2
634 1 43 LEU HA 1 44 ARG H . . 3.550 3.076 3.067 3.099 . 0 0 "[ . 1 . 2]" 2
635 1 43 LEU HA 1 46 GLN HG3 . . 4.140 3.002 2.327 3.580 . 0 0 "[ . 1 . 2]" 2
636 1 43 LEU HA 1 43 LEU HG . . 3.920 3.161 3.075 3.257 . 0 0 "[ . 1 . 2]" 2
637 1 43 LEU HA 1 43 LEU MD1 . . 4.490 3.904 3.874 3.935 . 0 0 "[ . 1 . 2]" 2
638 1 43 LEU HA 1 46 GLN HB2 . . 4.870 4.691 4.410 4.888 0.018 3 0 "[ . 1 . 2]" 2
639 1 43 LEU MD2 1 57 CYS H . . 3.830 3.430 3.239 3.748 . 0 0 "[ . 1 . 2]" 2
640 1 36 CYS H 1 43 LEU MD2 . . 3.700 3.299 3.172 3.575 . 0 0 "[ . 1 . 2]" 2
641 1 43 LEU MD2 1 48 PHE HA . . 4.010 3.707 3.377 3.969 . 0 0 "[ . 1 . 2]" 2
642 1 43 LEU HA 1 43 LEU MD2 . . 2.850 2.003 1.952 2.122 . 0 0 "[ . 1 . 2]" 2
643 1 43 LEU MD2 1 48 PHE HB2 . . 3.800 3.409 3.096 3.793 . 0 0 "[ . 1 . 2]" 2
644 1 43 LEU MD2 1 48 PHE HB3 . . 3.180 2.314 1.993 2.576 . 0 0 "[ . 1 . 2]" 2
645 1 36 CYS HB2 1 43 LEU MD2 . . 3.230 2.729 2.279 2.880 . 0 0 "[ . 1 . 2]" 2
646 1 31 VAL H 1 31 VAL MG1 . . 2.970 2.092 1.875 2.278 . 0 0 "[ . 1 . 2]" 2
647 1 30 HIS HA 1 31 VAL MG1 . . 4.400 3.806 3.626 3.966 . 0 0 "[ . 1 . 2]" 2
648 1 21 GLY HA2 1 31 VAL MG1 . . 4.220 4.064 3.384 4.237 0.017 18 0 "[ . 1 . 2]" 2
649 1 31 VAL HA 1 31 VAL MG1 . . 3.040 2.323 2.199 2.422 . 0 0 "[ . 1 . 2]" 2
650 1 62 VAL H 1 62 VAL MG2 . . 2.940 2.360 2.191 2.470 . 0 0 "[ . 1 . 2]" 2
651 1 61 TYR QD 1 62 VAL MG2 . . 3.450 2.421 2.270 2.607 . 0 0 "[ . 1 . 2]" 2
652 1 59 GLY HA2 1 62 VAL MG2 . . 3.780 3.413 2.929 3.632 . 0 0 "[ . 1 . 2]" 2
653 1 62 VAL HA 1 62 VAL MG2 . . 2.950 2.302 2.230 2.424 . 0 0 "[ . 1 . 2]" 2
654 1 58 GLU QG 1 62 VAL MG2 . . 3.350 2.549 2.406 2.683 . 0 0 "[ . 1 . 2]" 2
655 1 27 ARG HA 1 28 VAL H . . 2.810 2.534 2.473 2.567 . 0 0 "[ . 1 . 2]" 2
656 1 27 ARG HA 1 27 ARG HD3 . . 3.650 2.555 2.464 2.663 . 0 0 "[ . 1 . 2]" 2
657 1 27 ARG HA 1 27 ARG HG2 . . 3.480 2.414 2.381 2.438 . 0 0 "[ . 1 . 2]" 2
658 1 27 ARG HA 1 27 ARG HB3 . . 3.000 2.648 2.636 2.662 . 0 0 "[ . 1 . 2]" 2
659 1 27 ARG HA 1 28 VAL MG2 . . 4.240 3.364 3.240 3.486 . 0 0 "[ . 1 . 2]" 2
660 1 30 HIS HB3 1 31 VAL MG1 . . 4.840 4.594 4.392 4.746 . 0 0 "[ . 1 . 2]" 2
661 1 50 ALA MB 1 51 VAL H . . 3.390 3.348 3.261 3.371 . 0 0 "[ . 1 . 2]" 2
662 1 50 ALA H 1 50 ALA MB . . 3.070 2.435 2.249 2.603 . 0 0 "[ . 1 . 2]" 2
663 1 48 PHE QD 1 50 ALA MB . . 4.100 3.970 3.712 4.101 0.001 14 0 "[ . 1 . 2]" 2
664 1 49 TYR HA 1 50 ALA MB . . 4.360 3.862 3.770 3.936 . 0 0 "[ . 1 . 2]" 2
665 1 55 ALA MB 1 56 TYR H . . 3.440 3.251 3.047 3.329 . 0 0 "[ . 1 . 2]" 2
666 1 48 PHE QE 1 55 ALA MB . . 4.690 4.354 3.957 4.673 . 0 0 "[ . 1 . 2]" 2
667 1 34 PHE QE 1 55 ALA MB . . 3.480 3.100 2.764 3.403 . 0 0 "[ . 1 . 2]" 2
668 1 50 ALA HA 1 55 ALA MB . . 4.610 4.430 4.314 4.506 . 0 0 "[ . 1 . 2]" 2
669 1 34 PHE HZ 1 55 ALA MB . . 3.960 3.238 2.825 3.616 . 0 0 "[ . 1 . 2]" 2
670 1 48 PHE HB2 1 55 ALA MB . . 4.200 3.301 3.134 3.567 . 0 0 "[ . 1 . 2]" 2
671 1 43 LEU MD1 1 55 ALA MB . . 2.950 2.008 1.783 2.286 . 0 0 "[ . 1 . 2]" 2
672 1 51 VAL MG1 1 52 GLU HG2 . . 3.780 3.345 1.946 3.691 . 0 0 "[ . 1 . 2]" 2
673 1 31 VAL H 1 31 VAL MG2 . . 3.590 2.310 2.091 2.513 . 0 0 "[ . 1 . 2]" 2
674 1 31 VAL MG2 1 32 GLY H . . 4.100 2.063 1.875 2.200 . 0 0 "[ . 1 . 2]" 2
675 1 62 VAL MG1 1 63 ALA H . . 3.870 3.445 3.387 3.540 . 0 0 "[ . 1 . 2]" 2
676 1 62 VAL MG1 1 63 ALA HA . . 3.960 3.447 3.357 3.598 . 0 0 "[ . 1 . 2]" 2
677 1 62 VAL HA 1 62 VAL MG1 . . 2.970 2.379 2.312 2.456 . 0 0 "[ . 1 . 2]" 2
678 1 58 GLU QG 1 62 VAL MG1 . . 4.770 4.723 4.519 4.777 0.007 19 0 "[ . 1 . 2]" 2
679 1 28 VAL MG2 1 29 PHE H . . 4.080 3.995 3.836 4.079 . 0 0 "[ . 1 . 2]" 2
680 1 28 VAL H 1 28 VAL MG2 . . 3.340 2.872 2.688 2.942 . 0 0 "[ . 1 . 2]" 2
681 1 28 VAL HA 1 28 VAL MG2 . . 3.210 2.353 2.276 2.400 . 0 0 "[ . 1 . 2]" 2
682 1 15 VAL MG2 1 28 VAL MG2 . . 4.240 4.054 3.879 4.227 . 0 0 "[ . 1 . 2]" 2
683 1 35 VAL MG1 1 36 CYS H . . 4.150 3.733 3.586 3.815 . 0 0 "[ . 1 . 2]" 2
684 1 35 VAL H 1 35 VAL MG1 . . 3.560 3.012 2.924 3.077 . 0 0 "[ . 1 . 2]" 2
685 1 33 CYS HA 1 35 VAL MG1 . . 3.660 3.507 3.363 3.656 . 0 0 "[ . 1 . 2]" 2
686 1 16 VAL H 1 16 VAL MG2 . . 3.990 3.128 1.997 3.968 . 0 0 "[ . 1 . 2]" 2
687 1 16 VAL HA 1 16 VAL MG2 . . 3.210 2.546 2.303 3.188 . 0 0 "[ . 1 . 2]" 2
688 1 23 VAL H 1 23 VAL MG1 . . 3.990 3.487 2.068 3.812 . 0 0 "[ . 1 . 2]" 2
689 1 23 VAL HA 1 23 VAL MG1 . . 3.240 2.422 2.311 2.520 . 0 0 "[ . 1 . 2]" 2
690 1 23 VAL HA 1 28 VAL MG2 . . 3.900 3.218 2.921 3.775 . 0 0 "[ . 1 . 2]" 2
691 1 35 VAL MG1 1 43 LEU H . . 3.720 2.848 2.559 3.229 . 0 0 "[ . 1 . 2]" 2
692 1 35 VAL MG1 1 40 ARG HA . . 4.450 4.337 4.269 4.386 . 0 0 "[ . 1 . 2]" 2
693 1 41 ALA HA 1 42 GLN H . . 2.480 2.317 2.263 2.402 . 0 0 "[ . 1 . 2]" 2
694 1 40 ARG HA 1 41 ALA HA . . 4.660 4.585 4.532 4.625 . 0 0 "[ . 1 . 2]" 2
695 1 41 ALA HA 1 42 GLN HA . . 4.530 4.305 4.300 4.312 . 0 0 "[ . 1 . 2]" 2
696 1 35 VAL MG1 1 41 ALA HA . . 4.540 4.223 3.707 4.504 . 0 0 "[ . 1 . 2]" 2
697 1 51 VAL MG2 1 56 TYR QE . . 4.410 3.913 3.556 4.258 . 0 0 "[ . 1 . 2]" 2
698 1 64 THR MG 1 65 LEU H . . 3.910 3.844 3.773 3.930 0.020 3 0 "[ . 1 . 2]" 2
699 1 15 VAL MG1 1 22 VAL H . . 4.100 3.301 2.823 3.844 . 0 0 "[ . 1 . 2]" 2
700 1 15 VAL MG1 1 16 VAL H . . 3.500 2.972 2.518 3.235 . 0 0 "[ . 1 . 2]" 2
701 1 15 VAL H 1 15 VAL MG1 . . 3.880 3.815 3.785 3.843 . 0 0 "[ . 1 . 2]" 2
702 1 15 VAL MG1 1 30 HIS HD2 . . 3.440 2.687 2.210 3.452 0.012 10 0 "[ . 1 . 2]" 2
703 1 15 VAL MG1 1 30 HIS HA . . 3.400 3.066 2.685 3.403 0.003 18 0 "[ . 1 . 2]" 2
704 1 15 VAL MG1 1 21 GLY HA2 . . 3.370 2.098 1.863 2.612 . 0 0 "[ . 1 . 2]" 2
705 1 15 VAL MG1 1 16 VAL HA . . 4.360 3.695 3.347 4.105 . 0 0 "[ . 1 . 2]" 2
706 1 15 VAL HA 1 15 VAL MG1 . . 3.000 2.356 2.274 2.449 . 0 0 "[ . 1 . 2]" 2
707 1 15 VAL MG1 1 21 GLY HA3 . . 3.120 2.441 1.882 2.909 . 0 0 "[ . 1 . 2]" 2
708 1 20 ALA HA 1 31 VAL MG1 . . 4.560 3.161 1.829 4.531 . 0 0 "[ . 1 . 2]" 2
709 1 51 VAL MG2 1 56 TYR QD . . 3.570 3.060 2.699 3.383 . 0 0 "[ . 1 . 2]" 2
710 1 51 VAL MG2 1 61 TYR QE . . 3.120 2.588 2.353 2.766 . 0 0 "[ . 1 . 2]" 2
711 1 51 VAL MG2 1 61 TYR QD . . 3.300 2.864 2.704 3.041 . 0 0 "[ . 1 . 2]" 2
712 1 56 TYR QD 1 64 THR MG . . 4.530 3.603 3.212 3.955 . 0 0 "[ . 1 . 2]" 2
713 1 56 TYR QE 1 64 THR MG . . 4.330 3.895 3.390 4.234 . 0 0 "[ . 1 . 2]" 2
714 1 61 TYR QD 1 64 THR MG . . 4.790 4.714 4.494 4.797 0.007 1 0 "[ . 1 . 2]" 2
715 1 23 VAL MG2 1 24 ALA H . . 4.200 3.971 3.539 4.128 . 0 0 "[ . 1 . 2]" 2
716 1 23 VAL H 1 23 VAL MG2 . . 3.990 2.447 2.294 2.606 . 0 0 "[ . 1 . 2]" 2
717 1 23 VAL MG2 1 28 VAL HA . . 4.900 3.623 3.176 4.727 . 0 0 "[ . 1 . 2]" 2
718 1 23 VAL HA 1 23 VAL MG2 . . 3.240 2.498 2.219 3.179 . 0 0 "[ . 1 . 2]" 2
719 1 22 VAL MG2 1 34 PHE QD . . 4.320 3.681 3.082 3.991 . 0 0 "[ . 1 . 2]" 2
720 1 28 VAL MG1 1 29 PHE H . . 3.330 2.490 2.174 2.715 . 0 0 "[ . 1 . 2]" 2
721 1 28 VAL H 1 28 VAL MG1 . . 3.920 3.861 3.810 3.903 . 0 0 "[ . 1 . 2]" 2
722 1 28 VAL HA 1 28 VAL MG1 . . 3.200 2.431 2.330 2.470 . 0 0 "[ . 1 . 2]" 2
723 1 23 VAL HA 1 28 VAL MG1 . . 4.210 3.897 3.646 4.052 . 0 0 "[ . 1 . 2]" 2
724 1 8 CYS HA 1 28 VAL MG1 . . 3.860 3.156 2.734 3.592 . 0 0 "[ . 1 . 2]" 2
725 1 15 VAL HB 1 28 VAL MG1 . . 3.370 2.097 1.908 2.365 . 0 0 "[ . 1 . 2]" 2
726 1 15 VAL MG2 1 28 VAL MG1 . . 3.080 1.907 1.744 2.204 . 0 0 "[ . 1 . 2]" 2
727 1 22 VAL MG2 1 23 VAL H . . 4.390 4.134 4.041 4.231 . 0 0 "[ . 1 . 2]" 2
728 1 22 VAL MG2 1 29 PHE HB2 . . 4.780 4.451 4.256 4.603 . 0 0 "[ . 1 . 2]" 2
729 1 6 SER QB 1 28 VAL MG1 . . 4.110 3.472 2.455 4.106 . 0 0 "[ . 1 . 2]" 2
730 1 22 VAL H 1 22 VAL MG1 . . 3.920 3.812 3.773 3.862 . 0 0 "[ . 1 . 2]" 2
731 1 22 VAL MG1 1 31 VAL HA . . 4.300 4.223 4.076 4.318 0.018 19 0 "[ . 1 . 2]" 2
732 1 22 VAL MG1 1 29 PHE HB2 . . 4.190 3.661 3.348 3.902 . 0 0 "[ . 1 . 2]" 2
733 1 16 VAL H 1 16 VAL MG1 . . 3.990 2.987 2.087 3.957 . 0 0 "[ . 1 . 2]" 2
734 1 20 ALA H 1 20 ALA MB . . 3.600 2.379 2.074 2.758 . 0 0 "[ . 1 . 2]" 2
735 1 41 ALA H 1 41 ALA MB . . 2.680 2.228 2.113 2.353 . 0 0 "[ . 1 . 2]" 2
736 1 36 CYS HB3 1 41 ALA MB . . 3.670 3.449 3.339 3.617 . 0 0 "[ . 1 . 2]" 2
737 1 41 ALA MB 1 57 CYS HB3 . . 3.840 3.425 3.147 3.577 . 0 0 "[ . 1 . 2]" 2
738 1 36 CYS HB2 1 41 ALA MB . . 3.700 2.985 2.804 3.280 . 0 0 "[ . 1 . 2]" 2
739 1 20 ALA MB 1 21 GLY H . . 4.020 2.561 2.066 3.520 . 0 0 "[ . 1 . 2]" 2
740 1 15 VAL MG2 1 30 HIS H . . 3.680 3.444 3.030 3.702 0.022 20 0 "[ . 1 . 2]" 2
741 1 15 VAL H 1 15 VAL MG2 . . 3.140 2.586 2.310 2.829 . 0 0 "[ . 1 . 2]" 2
742 1 15 VAL MG2 1 30 HIS HD2 . . 3.890 3.073 2.279 3.726 . 0 0 "[ . 1 . 2]" 2
743 1 15 VAL MG2 1 30 HIS HA . . 4.050 3.429 3.169 3.791 . 0 0 "[ . 1 . 2]" 2
744 1 8 CYS HB2 1 15 VAL MG2 . . 2.980 1.898 1.793 2.056 . 0 0 "[ . 1 . 2]" 2
745 1 24 ALA HA 1 25 LEU H . . 2.830 2.185 2.142 2.247 . 0 0 "[ . 1 . 2]" 2
746 1 24 ALA HA 1 25 LEU HA . . 4.480 4.386 4.365 4.414 . 0 0 "[ . 1 . 2]" 2
747 1 50 ALA HA 1 56 TYR H . . 4.160 3.800 3.710 3.874 . 0 0 "[ . 1 . 2]" 2
748 1 50 ALA HA 1 51 VAL MG2 . . 4.140 3.824 3.638 3.936 . 0 0 "[ . 1 . 2]" 2
749 1 50 ALA HA 1 51 VAL H . . 2.690 2.149 2.142 2.152 . 0 0 "[ . 1 . 2]" 2
750 1 25 LEU MD2 1 50 ALA HA . . 3.660 3.456 2.595 3.659 . 0 0 "[ . 1 . 2]" 2
751 1 51 VAL H 1 55 ALA HA . . 4.120 4.070 3.856 4.132 0.012 18 0 "[ . 1 . 2]" 2
752 1 50 ALA HA 1 55 ALA HA . . 3.130 3.106 3.054 3.148 0.018 10 0 "[ . 1 . 2]" 2
753 1 55 ALA HA 1 56 TYR H . . 2.780 2.144 2.141 2.169 . 0 0 "[ . 1 . 2]" 2
754 1 48 PHE QD 1 55 ALA HA . . 4.170 3.749 3.373 3.934 . 0 0 "[ . 1 . 2]" 2
755 1 63 ALA H 1 63 ALA MB . . 2.720 2.152 2.026 2.232 . 0 0 "[ . 1 . 2]" 2
756 1 60 CYS HA 1 63 ALA MB . . 2.720 2.289 2.030 2.525 . 0 0 "[ . 1 . 2]" 2
757 1 63 ALA MB 1 64 THR MG . . 3.860 3.156 3.003 3.319 . 0 0 "[ . 1 . 2]" 2
758 1 62 VAL MG1 1 63 ALA MB . . 4.280 4.129 4.066 4.188 . 0 0 "[ . 1 . 2]" 2
759 1 35 VAL H 1 35 VAL MG2 . . 3.000 2.377 2.166 2.601 . 0 0 "[ . 1 . 2]" 2
760 1 33 CYS HA 1 35 VAL MG2 . . 4.320 4.099 3.929 4.218 . 0 0 "[ . 1 . 2]" 2
761 1 34 PHE HA 1 35 VAL MG2 . . 4.220 4.052 3.916 4.184 . 0 0 "[ . 1 . 2]" 2
762 1 35 VAL MG2 1 40 ARG HB3 . . 4.340 2.553 2.277 2.879 . 0 0 "[ . 1 . 2]" 2
763 1 25 LEU HB3 1 25 LEU MD2 . . 3.090 2.167 2.064 2.270 . 0 0 "[ . 1 . 2]" 2
764 1 25 LEU MD2 1 50 ALA MB . . 3.050 1.894 1.697 2.061 . 0 0 "[ . 1 . 2]" 2
765 1 68 GLY HA2 1 69 PRO QD . . 3.110 2.127 1.867 2.924 . 0 0 "[ . 1 . 2]" 2
766 1 49 TYR H 1 49 TYR QE . . 5.360 5.156 5.014 5.290 . 0 0 "[ . 1 . 2]" 2
767 1 49 TYR QE 1 58 GLU HB2 . . 3.520 3.171 2.897 3.531 0.011 8 0 "[ . 1 . 2]" 2
768 1 49 TYR QE 1 61 TYR HB2 . . 4.900 4.340 4.066 4.734 . 0 0 "[ . 1 . 2]" 2
769 1 49 TYR QE 1 61 TYR HB3 . . 4.750 3.634 3.348 4.014 . 0 0 "[ . 1 . 2]" 2
770 1 49 TYR QB 1 61 TYR QE . . 4.290 3.200 2.866 3.377 . 0 0 "[ . 1 . 2]" 2
771 1 51 VAL HB 1 61 TYR QE . . 5.370 5.113 4.864 5.375 0.005 12 0 "[ . 1 . 2]" 2
772 1 61 TYR QE 1 65 LEU MD1 . . 3.690 2.651 2.158 2.972 . 0 0 "[ . 1 . 2]" 2
773 1 37 SER HB2 1 56 TYR QE . . 4.250 4.130 3.174 4.259 0.009 9 0 "[ . 1 . 2]" 2
774 1 30 HIS HB3 1 30 HIS HD2 . . 3.920 3.095 2.923 3.256 . 0 0 "[ . 1 . 2]" 2
775 1 9 GLY HA3 1 29 PHE HZ . . 4.810 3.702 3.242 4.258 . 0 0 "[ . 1 . 2]" 2
776 1 25 LEU HB2 1 29 PHE HZ . . 4.810 4.135 3.920 4.391 . 0 0 "[ . 1 . 2]" 2
777 1 27 ARG HB2 1 29 PHE HZ . . 4.520 2.801 2.648 3.093 . 0 0 "[ . 1 . 2]" 2
778 1 25 LEU MD1 1 29 PHE HZ . . 3.990 3.799 3.440 4.002 0.012 8 0 "[ . 1 . 2]" 2
779 1 10 GLY HA3 1 29 PHE QE . . 4.250 4.106 3.863 4.256 0.006 13 0 "[ . 1 . 2]" 2
780 1 10 GLY HA2 1 29 PHE QD . . 4.520 3.085 2.818 3.380 . 0 0 "[ . 1 . 2]" 2
781 1 13 GLU HG2 1 30 HIS HE1 . . 5.090 4.939 4.284 5.088 . 0 0 "[ . 1 . 2]" 2
782 1 15 VAL MG1 1 29 PHE H . . 4.590 4.207 3.497 4.591 0.001 18 0 "[ . 1 . 2]" 2
783 1 15 VAL MG1 1 21 GLY H . . 4.350 3.590 2.757 4.117 . 0 0 "[ . 1 . 2]" 2
784 1 17 GLY HA3 1 20 ALA MB . . 4.410 2.826 1.969 4.520 0.110 10 0 "[ . 1 . 2]" 2
785 1 22 VAL MG1 1 29 PHE QD . . 4.420 3.706 3.422 4.019 . 0 0 "[ . 1 . 2]" 2
786 1 25 LEU HB3 1 29 PHE QE . . 5.500 5.210 5.004 5.540 0.040 10 0 "[ . 1 . 2]" 2
787 1 25 LEU HB2 1 27 ARG H . . 4.850 3.958 3.860 4.246 . 0 0 "[ . 1 . 2]" 2
788 1 25 LEU MD1 1 55 ALA H . . 4.860 4.470 3.645 4.803 . 0 0 "[ . 1 . 2]" 2
789 1 25 LEU MD1 1 50 ALA HA . . 4.790 4.036 3.400 4.393 . 0 0 "[ . 1 . 2]" 2
790 1 25 LEU MD1 1 55 ALA HA . . 4.340 4.083 3.532 4.344 0.004 13 0 "[ . 1 . 2]" 2
791 1 25 LEU MD1 1 34 PHE HZ . . 4.680 4.238 3.757 4.657 . 0 0 "[ . 1 . 2]" 2
792 1 25 LEU H 1 25 LEU MD2 . . 3.480 3.332 3.103 3.483 0.003 10 0 "[ . 1 . 2]" 2
793 1 25 LEU MD2 1 53 ARG H . . 4.570 4.068 3.504 4.555 . 0 0 "[ . 1 . 2]" 2
794 1 25 LEU MD2 1 54 ARG H . . 4.690 3.891 3.264 4.382 . 0 0 "[ . 1 . 2]" 2
795 1 25 LEU MD2 1 48 PHE QD . . 5.190 5.028 4.717 5.196 0.006 13 0 "[ . 1 . 2]" 2
796 1 25 LEU MD2 1 55 ALA HA . . 5.240 4.891 4.284 5.236 . 0 0 "[ . 1 . 2]" 2
797 1 25 LEU MD2 1 53 ARG HA . . 3.840 2.914 2.411 3.447 . 0 0 "[ . 1 . 2]" 2
798 1 27 ARG HG3 1 29 PHE HZ . . 4.640 3.039 2.856 3.526 . 0 0 "[ . 1 . 2]" 2
799 1 10 GLY H 1 29 PHE HA . . 4.210 3.166 2.906 3.355 . 0 0 "[ . 1 . 2]" 2
800 1 28 VAL MG1 1 29 PHE HA . . 4.370 3.396 3.198 3.577 . 0 0 "[ . 1 . 2]" 2
801 1 22 VAL MG1 1 29 PHE HB3 . . 5.360 5.104 4.691 5.369 0.009 20 0 "[ . 1 . 2]" 2
802 1 30 HIS HA 1 31 VAL H . . 2.840 2.214 2.168 2.266 . 0 0 "[ . 1 . 2]" 2
803 1 30 HIS HA 1 30 HIS HD2 . . 3.540 2.644 2.432 2.972 . 0 0 "[ . 1 . 2]" 2
804 1 31 VAL HA 1 33 CYS H . . 5.070 4.961 4.820 5.072 0.002 7 0 "[ . 1 . 2]" 2
805 1 31 VAL MG2 1 32 GLY HA2 . . 5.140 3.490 3.281 3.670 . 0 0 "[ . 1 . 2]" 2
806 1 38 THR HB 1 39 CYS H . . 2.990 2.095 2.008 2.313 . 0 0 "[ . 1 . 2]" 2
807 1 38 THR HB 1 60 CYS QB . . 3.270 3.089 2.938 3.254 . 0 0 "[ . 1 . 2]" 2
808 1 39 CYS HB3 1 41 ALA H . . 4.930 4.743 4.622 4.949 0.019 18 0 "[ . 1 . 2]" 2
809 1 39 CYS HB2 1 41 ALA H . . 4.680 4.359 4.195 4.517 . 0 0 "[ . 1 . 2]" 2
810 1 39 CYS HB2 1 40 ARG H . . 4.850 4.261 4.114 4.306 . 0 0 "[ . 1 . 2]" 2
811 1 42 GLN HB3 1 43 LEU HA . . 4.630 4.520 4.425 4.614 . 0 0 "[ . 1 . 2]" 2
812 1 35 VAL MG1 1 42 GLN HB3 . . 4.750 4.302 4.058 4.442 . 0 0 "[ . 1 . 2]" 2
813 1 35 VAL MG1 1 42 GLN HB2 . . 4.860 4.520 4.119 4.695 . 0 0 "[ . 1 . 2]" 2
814 1 32 GLY HA2 1 42 GLN HG2 . . 4.290 3.418 2.987 3.877 . 0 0 "[ . 1 . 2]" 2
815 1 34 PHE QE 1 43 LEU HB2 . . 4.750 3.079 2.799 3.446 . 0 0 "[ . 1 . 2]" 2
816 1 34 PHE HZ 1 43 LEU MD1 . . 4.640 3.821 3.444 4.153 . 0 0 "[ . 1 . 2]" 2
817 1 35 VAL HA 1 43 LEU MD1 . . 4.890 2.788 2.541 3.015 . 0 0 "[ . 1 . 2]" 2
818 1 43 LEU H 1 43 LEU MD2 . . 4.170 3.633 3.389 3.843 . 0 0 "[ . 1 . 2]" 2
819 1 43 LEU MD2 1 48 PHE QD . . 4.590 3.630 3.333 3.914 . 0 0 "[ . 1 . 2]" 2
820 1 35 VAL HA 1 43 LEU MD2 . . 4.260 3.831 3.728 4.001 . 0 0 "[ . 1 . 2]" 2
821 1 34 PHE QE 1 44 ARG HA . . 4.960 4.703 4.155 4.982 0.022 13 0 "[ . 1 . 2]" 2
822 1 34 PHE QD 1 44 ARG HA . . 4.910 3.119 2.801 3.580 . 0 0 "[ . 1 . 2]" 2
823 1 44 ARG H 1 44 ARG HG2 . . 4.550 3.573 2.040 4.552 0.002 9 0 "[ . 1 . 2]" 2
824 1 43 LEU MD2 1 46 GLN HG3 . . 4.530 2.952 2.668 3.782 . 0 0 "[ . 1 . 2]" 2
825 1 43 LEU MD2 1 46 GLN HG2 . . 4.530 3.140 2.230 3.729 . 0 0 "[ . 1 . 2]" 2
826 1 43 LEU MD1 1 48 PHE HA . . 4.670 4.392 4.131 4.627 . 0 0 "[ . 1 . 2]" 2
827 1 49 TYR HA 1 50 ALA HA . . 4.800 4.425 4.379 4.502 . 0 0 "[ . 1 . 2]" 2
828 1 50 ALA HA 1 54 ARG H . . 4.700 3.704 3.560 3.983 . 0 0 "[ . 1 . 2]" 2
829 1 50 ALA HA 1 51 VAL HA . . 4.630 4.387 4.383 4.393 . 0 0 "[ . 1 . 2]" 2
830 1 52 GLU H 1 52 GLU HG2 . . 4.900 3.415 2.821 3.860 . 0 0 "[ . 1 . 2]" 2
831 1 52 GLU HG2 1 53 ARG H . . 5.410 5.026 4.473 5.316 . 0 0 "[ . 1 . 2]" 2
832 1 52 GLU H 1 52 GLU HG3 . . 4.900 3.190 2.863 3.875 . 0 0 "[ . 1 . 2]" 2
833 1 52 GLU HG3 1 53 ARG H . . 5.410 5.098 4.371 5.275 . 0 0 "[ . 1 . 2]" 2
834 1 53 ARG H 1 53 ARG HG2 . . 4.440 3.194 2.676 3.824 . 0 0 "[ . 1 . 2]" 2
835 1 53 ARG H 1 53 ARG QD . . 4.890 4.397 3.551 4.866 . 0 0 "[ . 1 . 2]" 2
836 1 54 ARG HA 1 54 ARG HD2 . . 4.700 4.591 3.908 4.730 0.030 10 0 "[ . 1 . 2]" 2
837 1 50 ALA MB 1 55 ALA HA . . 4.200 4.162 4.029 4.222 0.022 13 0 "[ . 1 . 2]" 2
838 1 43 LEU MD1 1 55 ALA HA . . 5.070 3.900 3.611 4.183 . 0 0 "[ . 1 . 2]" 2
839 1 48 PHE HB3 1 55 ALA MB . . 4.830 4.123 3.844 4.455 . 0 0 "[ . 1 . 2]" 2
840 1 43 LEU MD2 1 56 TYR HA . . 5.060 4.568 4.277 4.995 . 0 0 "[ . 1 . 2]" 2
841 1 43 LEU MD1 1 57 CYS HB3 . . 4.760 3.644 3.356 3.965 . 0 0 "[ . 1 . 2]" 2
842 1 36 CYS H 1 57 CYS HB3 . . 5.380 4.792 4.694 4.956 . 0 0 "[ . 1 . 2]" 2
843 1 59 GLY HA3 1 62 VAL HB . . 4.820 4.772 4.680 4.823 0.003 14 0 "[ . 1 . 2]" 2
844 1 61 TYR HA 1 65 LEU MD1 . . 5.100 4.882 4.212 5.104 0.004 1 0 "[ . 1 . 2]" 2
845 1 49 TYR QB 1 61 TYR HA . . 4.850 4.339 4.090 4.541 . 0 0 "[ . 1 . 2]" 2
846 1 60 CYS QB 1 61 TYR HA . . 4.690 3.743 3.709 3.782 . 0 0 "[ . 1 . 2]" 2
847 1 61 TYR HA 1 61 TYR QE . . 4.780 4.696 4.670 4.713 . 0 0 "[ . 1 . 2]" 2
848 1 61 TYR HB3 1 62 VAL HA . . 4.910 4.354 4.290 4.407 . 0 0 "[ . 1 . 2]" 2
849 1 62 VAL HA 1 63 ALA HA . . 5.160 4.814 4.765 4.854 . 0 0 "[ . 1 . 2]" 2
850 1 61 TYR HA 1 64 THR HB . . 5.110 4.842 4.529 5.043 . 0 0 "[ . 1 . 2]" 2
851 1 62 VAL HA 1 65 LEU HB3 . . 4.940 4.722 4.380 4.934 . 0 0 "[ . 1 . 2]" 2
852 1 7 GLY HA3 1 15 VAL MG2 . . 4.730 4.466 3.899 4.705 . 0 0 "[ . 1 . 2]" 2
853 1 8 CYS HA 1 15 VAL MG1 . . 5.030 4.612 4.100 4.938 . 0 0 "[ . 1 . 2]" 2
854 1 8 CYS HA 1 28 VAL HB . . 5.170 3.270 2.903 3.561 . 0 0 "[ . 1 . 2]" 2
855 1 8 CYS HA 1 12 GLY H . . 4.530 4.462 4.321 4.559 0.029 18 0 "[ . 1 . 2]" 2
856 1 8 CYS HB3 1 29 PHE HA . . 4.960 4.769 4.617 4.974 0.014 15 0 "[ . 1 . 2]" 2
857 1 8 CYS HB3 1 30 HIS H . . 4.900 4.802 4.684 4.900 0.000 1 0 "[ . 1 . 2]" 2
858 1 8 CYS HB2 1 15 VAL MG1 . . 5.020 4.224 4.013 4.422 . 0 0 "[ . 1 . 2]" 2
859 1 8 CYS HB2 1 29 PHE HA . . 4.310 3.999 3.804 4.240 . 0 0 "[ . 1 . 2]" 2
860 1 9 GLY HA2 1 11 CYS H . . 5.500 5.301 4.641 5.498 . 0 0 "[ . 1 . 2]" 2
861 1 9 GLY HA2 1 12 GLY H . . 5.500 4.999 4.361 5.236 . 0 0 "[ . 1 . 2]" 2
862 1 9 GLY HA2 1 29 PHE QD . . 5.410 4.846 4.580 5.025 . 0 0 "[ . 1 . 2]" 2
863 1 9 GLY HA3 1 27 ARG HD2 . . 4.520 2.579 2.357 2.675 . 0 0 "[ . 1 . 2]" 2
864 1 9 GLY HA3 1 29 PHE QD . . 5.080 3.636 3.385 3.827 . 0 0 "[ . 1 . 2]" 2
865 1 11 CYS HB2 1 13 GLU HG2 . . 4.760 4.556 3.977 4.739 . 0 0 "[ . 1 . 2]" 2
866 1 11 CYS HB2 1 13 GLU H . . 4.590 3.354 3.133 3.897 . 0 0 "[ . 1 . 2]" 2
867 1 16 VAL HB 1 17 GLY H . . 4.750 3.672 2.074 4.406 . 0 0 "[ . 1 . 2]" 2
868 1 22 VAL MG2 1 34 PHE HB3 . . 4.530 3.514 3.085 3.888 . 0 0 "[ . 1 . 2]" 2
869 1 22 VAL MG2 1 29 PHE QD . . 5.500 5.395 5.207 5.564 0.064 14 0 "[ . 1 . 2]" 2
870 1 22 VAL HB 1 23 VAL HA . . 5.500 4.981 4.862 5.171 . 0 0 "[ . 1 . 2]" 2
871 1 23 VAL HA 1 27 ARG HB2 . . 5.500 5.404 4.937 5.514 0.014 19 0 "[ . 1 . 2]" 2
872 1 24 ALA HA 1 25 LEU HG . . 4.500 3.943 3.725 4.074 . 0 0 "[ . 1 . 2]" 2
873 1 24 ALA HA 1 48 PHE HZ . . 5.000 4.560 3.784 5.000 0.000 18 0 "[ . 1 . 2]" 2
874 1 24 ALA MB 1 25 LEU HB2 . . 4.670 3.774 3.641 3.882 . 0 0 "[ . 1 . 2]" 2
875 1 24 ALA MB 1 25 LEU HA . . 4.920 4.524 4.421 4.676 . 0 0 "[ . 1 . 2]" 2
876 1 23 VAL HA 1 24 ALA MB . . 4.410 3.982 3.832 4.061 . 0 0 "[ . 1 . 2]" 2
877 1 25 LEU HA 1 26 ASP HB2 . . 5.050 3.924 3.912 3.931 . 0 0 "[ . 1 . 2]" 2
878 1 26 ASP HB3 1 27 ARG H . . 4.910 4.317 4.309 4.323 . 0 0 "[ . 1 . 2]" 2
879 1 9 GLY HA3 1 27 ARG HG3 . . 4.850 4.625 4.504 4.859 0.009 14 0 "[ . 1 . 2]" 2
880 1 9 GLY HA3 1 27 ARG HG2 . . 5.500 5.478 5.317 5.513 0.013 4 0 "[ . 1 . 2]" 2
881 1 9 GLY HA2 1 27 ARG HD3 . . 4.770 4.573 4.349 4.768 . 0 0 "[ . 1 . 2]" 2
882 1 22 VAL MG2 1 29 PHE HB3 . . 5.500 5.440 5.300 5.522 0.022 10 0 "[ . 1 . 2]" 2
883 1 29 PHE HB3 1 34 PHE H . . 4.800 2.958 2.684 3.174 . 0 0 "[ . 1 . 2]" 2
884 1 29 PHE HB3 1 34 PHE QD . . 5.030 3.283 3.017 3.566 . 0 0 "[ . 1 . 2]" 2
885 1 28 VAL HA 1 29 PHE HB2 . . 4.890 4.679 4.557 4.750 . 0 0 "[ . 1 . 2]" 2
886 1 29 PHE HB2 1 34 PHE QD . . 4.750 2.705 2.199 3.292 . 0 0 "[ . 1 . 2]" 2
887 1 23 VAL HA 1 29 PHE QD . . 5.500 3.908 2.881 4.359 . 0 0 "[ . 1 . 2]" 2
888 1 24 ALA MB 1 29 PHE HZ . . 5.130 4.809 3.714 5.132 0.002 17 0 "[ . 1 . 2]" 2
889 1 30 HIS HB2 1 31 VAL H . . 4.530 4.146 4.013 4.265 . 0 0 "[ . 1 . 2]" 2
890 1 30 HIS HB2 1 32 GLY H . . 4.740 3.452 3.256 3.697 . 0 0 "[ . 1 . 2]" 2
891 1 15 VAL MG2 1 30 HIS HE1 . . 3.950 3.124 2.457 3.584 . 0 0 "[ . 1 . 2]" 2
892 1 13 GLU HB2 1 30 HIS HE1 . . 3.020 2.139 1.991 2.460 . 0 0 "[ . 1 . 2]" 2
893 1 13 GLU HB3 1 30 HIS HE1 . . 3.420 3.216 2.487 3.445 0.025 11 0 "[ . 1 . 2]" 2
894 1 8 CYS HB2 1 30 HIS HE1 . . 3.590 2.871 2.473 3.341 . 0 0 "[ . 1 . 2]" 2
895 1 8 CYS H 1 30 HIS HE1 . . 4.990 4.743 4.301 5.013 0.023 12 0 "[ . 1 . 2]" 2
896 1 31 VAL MG2 1 42 GLN HE22 . . 5.120 3.898 3.262 4.378 . 0 0 "[ . 1 . 2]" 2
897 1 32 GLY HA2 1 35 VAL MG1 . . 4.950 3.751 3.636 3.959 . 0 0 "[ . 1 . 2]" 2
898 1 32 GLY HA2 1 34 PHE H . . 5.060 4.603 4.272 4.765 . 0 0 "[ . 1 . 2]" 2
899 1 10 GLY HA2 1 33 CYS HB2 . . 5.500 5.493 5.416 5.522 0.022 4 0 "[ . 1 . 2]" 2
900 1 29 PHE HB2 1 33 CYS HB2 . . 4.930 4.266 3.938 4.704 . 0 0 "[ . 1 . 2]" 2
901 1 29 PHE HA 1 33 CYS HB3 . . 5.230 4.404 4.021 4.728 . 0 0 "[ . 1 . 2]" 2
902 1 34 PHE HA 1 43 LEU MD1 . . 4.820 4.627 4.436 4.828 0.008 18 0 "[ . 1 . 2]" 2
903 1 34 PHE HB3 1 43 LEU H . . 4.960 4.126 3.845 4.347 . 0 0 "[ . 1 . 2]" 2
904 1 29 PHE HB2 1 34 PHE HB3 . . 4.010 3.763 3.637 3.978 . 0 0 "[ . 1 . 2]" 2
905 1 22 VAL MG2 1 34 PHE HB2 . . 4.690 3.728 3.259 4.242 . 0 0 "[ . 1 . 2]" 2
906 1 31 VAL HA 1 34 PHE HB2 . . 4.850 4.312 3.941 4.683 . 0 0 "[ . 1 . 2]" 2
907 1 33 CYS H 1 34 PHE HB2 . . 5.210 5.038 4.913 5.142 . 0 0 "[ . 1 . 2]" 2
908 1 34 PHE QD 1 43 LEU MD1 . . 4.360 3.845 3.660 4.046 . 0 0 "[ . 1 . 2]" 2
909 1 34 PHE QD 1 43 LEU HB3 . . 4.480 3.588 3.272 3.925 . 0 0 "[ . 1 . 2]" 2
910 1 22 VAL MG1 1 34 PHE QD . . 4.170 2.591 1.995 3.114 . 0 0 "[ . 1 . 2]" 2
911 1 34 PHE QD 1 43 LEU HB2 . . 4.480 2.591 2.299 2.863 . 0 0 "[ . 1 . 2]" 2
912 1 34 PHE QD 1 55 ALA MB . . 4.490 4.135 4.026 4.450 . 0 0 "[ . 1 . 2]" 2
913 1 29 PHE QD 1 34 PHE QD . . 4.940 3.098 2.766 3.437 . 0 0 "[ . 1 . 2]" 2
914 1 29 PHE QE 1 34 PHE QD . . 4.590 4.125 3.903 4.295 . 0 0 "[ . 1 . 2]" 2
915 1 34 PHE H 1 34 PHE QD . . 4.800 4.066 3.989 4.123 . 0 0 "[ . 1 . 2]" 2
916 1 34 PHE QE 1 43 LEU HB3 . . 4.750 2.993 2.703 3.334 . 0 0 "[ . 1 . 2]" 2
917 1 22 VAL MG1 1 34 PHE QE . . 4.490 3.194 2.677 3.476 . 0 0 "[ . 1 . 2]" 2
918 1 25 LEU MD1 1 34 PHE QE . . 3.970 3.300 2.821 3.684 . 0 0 "[ . 1 . 2]" 2
919 1 25 LEU HG 1 34 PHE QE . . 5.150 4.365 4.054 4.826 . 0 0 "[ . 1 . 2]" 2
920 1 34 PHE HA 1 34 PHE QE . . 4.380 4.322 4.236 4.385 0.005 7 0 "[ . 1 . 2]" 2
921 1 29 PHE QD 1 34 PHE QE . . 5.200 3.761 3.311 4.230 . 0 0 "[ . 1 . 2]" 2
922 1 29 PHE QE 1 34 PHE QE . . 4.810 3.844 3.305 4.259 . 0 0 "[ . 1 . 2]" 2
923 1 34 PHE QE 1 48 PHE QE . . 5.080 3.045 2.588 3.412 . 0 0 "[ . 1 . 2]" 2
924 1 35 VAL HB 1 43 LEU HG . . 5.010 3.805 3.615 4.040 . 0 0 "[ . 1 . 2]" 2
925 1 34 PHE H 1 35 VAL MG1 . . 3.970 3.826 3.611 3.931 . 0 0 "[ . 1 . 2]" 2
926 1 36 CYS HA 1 57 CYS HB3 . . 4.800 4.719 4.540 4.824 0.024 20 0 "[ . 1 . 2]" 2
927 1 36 CYS HB3 1 43 LEU MD1 . . 5.080 4.120 3.843 4.437 . 0 0 "[ . 1 . 2]" 2
928 1 36 CYS HB3 1 43 LEU HG . . 4.930 4.801 4.738 4.900 . 0 0 "[ . 1 . 2]" 2
929 1 35 VAL HB 1 36 CYS HB3 . . 4.440 4.286 4.203 4.339 . 0 0 "[ . 1 . 2]" 2
930 1 36 CYS HB2 1 43 LEU MD1 . . 4.050 3.000 2.691 3.411 . 0 0 "[ . 1 . 2]" 2
931 1 36 CYS HB2 1 43 LEU HG . . 4.600 3.584 3.493 3.687 . 0 0 "[ . 1 . 2]" 2
932 1 36 CYS HB2 1 40 ARG HA . . 4.480 3.916 3.842 4.006 . 0 0 "[ . 1 . 2]" 2
933 1 36 CYS HB2 1 57 CYS HA . . 5.130 4.872 4.722 4.991 . 0 0 "[ . 1 . 2]" 2
934 1 36 CYS HB2 1 56 TYR HA . . 4.540 4.035 3.872 4.216 . 0 0 "[ . 1 . 2]" 2
935 1 36 CYS HB2 1 39 CYS H . . 4.550 4.247 4.040 4.326 . 0 0 "[ . 1 . 2]" 2
936 1 36 CYS HB2 1 38 THR H . . 4.990 4.408 4.319 4.467 . 0 0 "[ . 1 . 2]" 2
937 1 37 SER HA 1 55 ALA H . . 5.400 4.884 4.336 5.238 . 0 0 "[ . 1 . 2]" 2
938 1 37 SER HB2 1 56 TYR QD . . 5.020 4.817 3.688 5.026 0.006 5 0 "[ . 1 . 2]" 2
939 1 38 THR HA 1 40 ARG H . . 5.050 4.276 4.180 4.372 . 0 0 "[ . 1 . 2]" 2
940 1 38 THR HA 1 40 ARG QD . . 5.500 3.670 3.225 4.659 . 0 0 "[ . 1 . 2]" 2
941 1 38 THR MG 1 56 TYR QD . . 4.790 4.517 4.314 4.650 . 0 0 "[ . 1 . 2]" 2
942 1 38 THR MG 1 39 CYS HB2 . . 4.660 4.462 4.366 4.560 . 0 0 "[ . 1 . 2]" 2
943 1 41 ALA HA 1 42 GLN HG3 . . 4.710 4.627 4.522 4.677 . 0 0 "[ . 1 . 2]" 2
944 1 15 VAL MG1 1 20 ALA MB . . 3.750 3.563 3.024 3.761 0.011 7 0 "[ . 1 . 2]" 2
945 1 42 GLN HA 1 43 LEU MD1 . . 5.310 5.130 5.038 5.185 . 0 0 "[ . 1 . 2]" 2
946 1 41 ALA HA 1 42 GLN HG2 . . 5.500 5.280 5.208 5.380 . 0 0 "[ . 1 . 2]" 2
947 1 22 VAL MG2 1 44 ARG QB . . 5.100 3.421 2.815 4.822 . 0 0 "[ . 1 . 2]" 2
948 1 22 VAL MG2 1 44 ARG QD . . 4.770 4.045 2.156 4.774 0.004 5 0 "[ . 1 . 2]" 2
949 1 31 VAL MG2 1 44 ARG QD . . 4.240 3.701 2.935 4.282 0.042 8 0 "[ . 1 . 2]" 2
950 1 44 ARG QB 1 45 GLY HA2 . . 5.210 4.933 4.481 5.306 0.096 6 0 "[ . 1 . 2]" 2
951 1 46 GLN HA 1 48 PHE QD . . 5.080 4.979 4.829 5.091 0.011 4 0 "[ . 1 . 2]" 2
952 1 43 LEU MD2 1 46 GLN HB3 . . 5.130 4.758 4.209 5.175 0.045 16 0 "[ . 1 . 2]" 2
953 1 46 GLN HB2 1 47 HIS QB . . 4.980 4.383 3.997 4.916 . 0 0 "[ . 1 . 2]" 2
954 1 43 LEU MD1 1 48 PHE QD . . 4.350 3.593 3.411 3.845 . 0 0 "[ . 1 . 2]" 2
955 1 48 PHE QD 1 55 ALA MB . . 3.550 3.318 2.969 3.554 0.004 10 0 "[ . 1 . 2]" 2
956 1 34 PHE HZ 1 48 PHE QD . . 4.460 3.474 3.016 3.903 . 0 0 "[ . 1 . 2]" 2
957 1 34 PHE QE 1 48 PHE QD . . 4.360 3.571 3.242 3.851 . 0 0 "[ . 1 . 2]" 2
958 1 48 PHE QD 1 56 TYR H . . 4.600 4.213 3.862 4.557 . 0 0 "[ . 1 . 2]" 2
959 1 48 PHE QE 1 50 ALA MB . . 4.390 4.277 3.979 4.406 0.016 19 0 "[ . 1 . 2]" 2
960 1 34 PHE HZ 1 48 PHE QE . . 5.390 2.746 2.256 3.286 . 0 0 "[ . 1 . 2]" 2
961 1 24 ALA MB 1 48 PHE HZ . . 5.150 3.203 2.861 3.789 . 0 0 "[ . 1 . 2]" 2
962 1 48 PHE QD 1 49 TYR HA . . 4.690 4.135 3.822 4.451 . 0 0 "[ . 1 . 2]" 2
963 1 49 TYR QD 1 51 VAL MG2 . . 5.250 3.811 3.738 3.910 . 0 0 "[ . 1 . 2]" 2
964 1 49 TYR QD 1 58 GLU HB2 . . 4.230 4.136 3.937 4.260 0.030 12 0 "[ . 1 . 2]" 2
965 1 49 TYR QD 1 61 TYR HB3 . . 4.150 3.290 2.893 3.632 . 0 0 "[ . 1 . 2]" 2
966 1 49 TYR QD 1 61 TYR HB2 . . 4.370 3.040 2.769 3.395 . 0 0 "[ . 1 . 2]" 2
967 1 49 TYR QE 1 51 VAL MG2 . . 5.500 5.475 5.420 5.507 0.007 10 0 "[ . 1 . 2]" 2
968 1 49 TYR HA 1 49 TYR QE . . 5.000 4.580 4.562 4.601 . 0 0 "[ . 1 . 2]" 2
969 1 49 TYR QB 1 50 ALA HA . . 4.970 4.095 3.946 4.258 . 0 0 "[ . 1 . 2]" 2
970 1 50 ALA HA 1 51 VAL HB . . 4.960 4.691 4.657 4.805 . 0 0 "[ . 1 . 2]" 2
971 1 50 ALA HA 1 56 TYR QE . . 5.500 5.197 4.778 5.509 0.009 14 0 "[ . 1 . 2]" 2
972 1 50 ALA MB 1 54 ARG H . . 4.530 3.949 3.788 4.273 . 0 0 "[ . 1 . 2]" 2
973 1 50 ALA MB 1 53 ARG HA . . 4.460 4.216 4.123 4.353 . 0 0 "[ . 1 . 2]" 2
974 1 51 VAL HB 1 54 ARG H . . 5.080 4.637 4.394 4.704 . 0 0 "[ . 1 . 2]" 2
975 1 51 VAL MG1 1 52 GLU H . . 4.170 2.679 1.926 2.997 . 0 0 "[ . 1 . 2]" 2
976 1 54 ARG HG3 1 56 TYR QE . . 5.120 3.994 3.612 4.325 . 0 0 "[ . 1 . 2]" 2
977 1 54 ARG HD2 1 56 TYR QE . . 5.000 3.291 2.932 3.692 . 0 0 "[ . 1 . 2]" 2
978 1 54 ARG HD3 1 56 TYR QE . . 5.000 3.687 3.228 4.780 . 0 0 "[ . 1 . 2]" 2
979 1 55 ALA HA 1 56 TYR HB2 . . 4.660 4.539 4.474 4.583 . 0 0 "[ . 1 . 2]" 2
980 1 48 PHE HB2 1 55 ALA HA . . 5.140 3.899 3.655 4.165 . 0 0 "[ . 1 . 2]" 2
981 1 55 ALA HA 1 56 TYR HA . . 4.720 4.396 4.393 4.415 . 0 0 "[ . 1 . 2]" 2
982 1 49 TYR H 1 56 TYR HB3 . . 4.820 4.669 4.414 4.804 . 0 0 "[ . 1 . 2]" 2
983 1 49 TYR QD 1 56 TYR HB2 . . 5.160 4.325 4.116 4.584 . 0 0 "[ . 1 . 2]" 2
984 1 55 ALA HA 1 56 TYR QD . . 4.090 3.875 3.691 4.088 . 0 0 "[ . 1 . 2]" 2
985 1 50 ALA HA 1 56 TYR QD . . 4.200 3.935 3.605 4.121 . 0 0 "[ . 1 . 2]" 2
986 1 56 TYR QD 1 61 TYR QD . . 4.230 4.127 3.971 4.233 0.003 11 0 "[ . 1 . 2]" 2
987 1 56 TYR H 1 56 TYR QD . . 3.800 3.019 2.797 3.284 . 0 0 "[ . 1 . 2]" 2
988 1 38 THR HB 1 56 TYR QD . . 4.420 3.441 3.160 3.667 . 0 0 "[ . 1 . 2]" 2
989 1 43 LEU MD1 1 57 CYS HB2 . . 5.410 4.967 4.712 5.253 . 0 0 "[ . 1 . 2]" 2
990 1 59 GLY HA2 1 62 VAL H . . 5.000 3.878 3.753 3.992 . 0 0 "[ . 1 . 2]" 2
991 1 38 THR MG 1 60 CYS HA . . 4.570 4.437 4.258 4.575 0.005 10 0 "[ . 1 . 2]" 2
992 1 60 CYS HA 1 62 VAL H . . 4.890 4.230 4.038 4.373 . 0 0 "[ . 1 . 2]" 2
993 1 64 THR HA 1 67 SER H . . 5.390 3.716 3.440 4.057 . 0 0 "[ . 1 . 2]" 2
994 1 56 TYR QD 1 60 CYS HA . . 5.500 5.326 4.937 5.505 0.005 1 0 "[ . 1 . 2]" 2
995 1 61 TYR HB2 1 62 VAL MG2 . . 5.330 4.691 4.581 4.781 . 0 0 "[ . 1 . 2]" 2
996 1 61 TYR QD 1 62 VAL MG1 . . 4.600 4.598 4.586 4.613 0.013 15 0 "[ . 1 . 2]" 2
997 1 49 TYR QB 1 61 TYR QD . . 3.930 2.410 2.198 2.609 . 0 0 "[ . 1 . 2]" 2
998 1 62 VAL MG2 1 63 ALA HA . . 5.500 5.396 5.382 5.415 . 0 0 "[ . 1 . 2]" 2
999 1 63 ALA HA 1 66 GLU H . . 4.930 3.570 3.245 3.750 . 0 0 "[ . 1 . 2]" 2
1000 1 62 VAL H 1 63 ALA MB . . 4.910 4.160 4.053 4.275 . 0 0 "[ . 1 . 2]" 2
1001 1 60 CYS QB 1 63 ALA MB . . 4.450 3.925 3.834 4.033 . 0 0 "[ . 1 . 2]" 2
1002 1 64 THR HB 1 65 LEU MD2 . . 5.250 4.686 4.167 4.981 . 0 0 "[ . 1 . 2]" 2
1003 1 62 VAL H 1 65 LEU MD1 . . 5.070 4.347 3.646 4.574 . 0 0 "[ . 1 . 2]" 2
1004 1 65 LEU HB2 1 66 GLU HA . . 5.130 4.192 4.005 4.329 . 0 0 "[ . 1 . 2]" 2
1005 1 63 ALA HA 1 66 GLU HG2 . . 5.020 3.410 1.995 4.792 . 0 0 "[ . 1 . 2]" 2
1006 1 25 LEU MD1 1 50 ALA MB . . 3.610 3.287 2.924 3.520 . 0 0 "[ . 1 . 2]" 2
1007 1 21 GLY HA3 1 28 VAL MG2 . . 4.980 4.882 3.950 5.002 0.022 14 0 "[ . 1 . 2]" 2
1008 1 21 GLY HA3 1 28 VAL MG1 . . 3.810 3.381 2.504 3.736 . 0 0 "[ . 1 . 2]" 2
1009 1 47 HIS HA 1 47 HIS HD2 . . 4.940 3.454 2.153 4.720 . 0 0 "[ . 1 . 2]" 2
1010 1 64 THR HA 1 66 GLU H . . 4.690 4.512 4.113 4.694 0.004 14 0 "[ . 1 . 2]" 2
1011 1 18 ASP HA 1 20 ALA H . . 5.340 4.571 3.982 5.228 . 0 0 "[ . 1 . 2]" 2
1012 1 31 VAL MG1 1 44 ARG HA . . 5.380 4.554 3.706 5.367 . 0 0 "[ . 1 . 2]" 2
1013 1 31 VAL MG1 1 44 ARG QD . . 4.070 3.001 1.873 3.993 . 0 0 "[ . 1 . 2]" 2
1014 1 22 VAL HB 1 31 VAL MG1 . . 4.520 4.358 4.007 4.546 0.026 4 0 "[ . 1 . 2]" 2
1015 1 20 ALA MB 1 30 HIS HD2 . . 4.940 4.229 2.745 4.929 . 0 0 "[ . 1 . 2]" 2
1016 1 40 ARG H 1 41 ALA MB . . 4.550 4.354 4.204 4.395 . 0 0 "[ . 1 . 2]" 2
1017 1 41 ALA MB 1 57 CYS HB2 . . 4.270 4.194 3.929 4.313 0.043 4 0 "[ . 1 . 2]" 2
1018 1 41 ALA MB 1 42 GLN HB2 . . 4.830 4.106 4.059 4.196 . 0 0 "[ . 1 . 2]" 2
1019 1 41 ALA MB 1 42 GLN HB3 . . 5.250 5.122 5.069 5.166 . 0 0 "[ . 1 . 2]" 2
1020 1 41 ALA MB 1 43 LEU MD2 . . 3.510 3.019 2.726 3.359 . 0 0 "[ . 1 . 2]" 2
1021 1 18 ASP QB 1 19 GLY HA2 . . 5.500 5.020 4.166 5.455 . 0 0 "[ . 1 . 2]" 2
1022 1 18 ASP QB 1 19 GLY HA3 . . 5.500 4.419 4.070 4.875 . 0 0 "[ . 1 . 2]" 2
1023 1 16 VAL HA 1 20 ALA MB . . 5.370 4.838 4.080 5.385 0.015 11 0 "[ . 1 . 2]" 2
1024 1 21 GLY H 1 31 VAL MG1 . . 4.730 3.517 2.464 4.735 0.005 7 0 "[ . 1 . 2]" 2
1025 1 15 VAL MG2 1 30 HIS HB3 . . 5.500 4.688 4.420 4.993 . 0 0 "[ . 1 . 2]" 2
1026 1 15 VAL MG2 1 21 GLY HA3 . . 5.130 4.715 3.961 5.136 0.006 3 0 "[ . 1 . 2]" 2
1027 1 15 VAL MG2 1 21 GLY HA2 . . 5.120 3.964 3.494 4.216 . 0 0 "[ . 1 . 2]" 2
1028 1 21 GLY HA2 1 22 VAL MG2 . . 4.290 3.785 3.490 4.107 . 0 0 "[ . 1 . 2]" 2
1029 1 22 VAL H 1 31 VAL MG1 . . 4.340 3.953 3.447 4.335 . 0 0 "[ . 1 . 2]" 2
1030 1 61 TYR QE 1 62 VAL MG2 . . 4.600 3.952 3.742 4.202 . 0 0 "[ . 1 . 2]" 2
1031 1 49 TYR QE 1 62 VAL MG2 . . 4.750 4.172 3.911 4.430 . 0 0 "[ . 1 . 2]" 2
1032 1 61 TYR HB3 1 62 VAL MG2 . . 4.100 3.197 3.010 3.323 . 0 0 "[ . 1 . 2]" 2
1033 1 25 LEU HA 1 27 ARG H . . 5.300 4.504 4.453 4.637 . 0 0 "[ . 1 . 2]" 2
1034 1 25 LEU HB3 1 27 ARG H . . 5.460 5.039 4.941 5.317 . 0 0 "[ . 1 . 2]" 2
1035 1 24 ALA MB 1 25 LEU HB3 . . 5.500 4.899 4.831 4.992 . 0 0 "[ . 1 . 2]" 2
1036 1 25 LEU MD1 1 51 VAL H . . 5.200 4.786 3.836 5.176 . 0 0 "[ . 1 . 2]" 2
1037 1 25 LEU MD1 1 48 PHE QD . . 5.190 4.957 4.462 5.193 0.003 3 0 "[ . 1 . 2]" 2
1038 1 25 LEU HA 1 25 LEU MD1 . . 4.760 3.962 3.943 3.972 . 0 0 "[ . 1 . 2]" 2
1039 1 25 LEU HB3 1 25 LEU MD1 . . 3.560 2.589 2.471 2.685 . 0 0 "[ . 1 . 2]" 2
1040 1 26 ASP HA 1 27 ARG HG2 . . 5.310 4.962 4.931 5.009 . 0 0 "[ . 1 . 2]" 2
1041 1 26 ASP HB3 1 27 ARG HG3 . . 5.460 5.475 5.452 5.508 0.048 14 0 "[ . 1 . 2]" 2
1042 1 26 ASP HB2 1 27 ARG HG3 . . 5.500 5.365 5.331 5.412 . 0 0 "[ . 1 . 2]" 2
1043 1 25 LEU HB3 1 26 ASP HB2 . . 5.500 4.419 4.335 4.474 . 0 0 "[ . 1 . 2]" 2
1044 1 26 ASP HB3 1 27 ARG HG2 . . 5.060 4.053 4.022 4.099 . 0 0 "[ . 1 . 2]" 2
1045 1 9 GLY HA2 1 27 ARG HB3 . . 5.140 4.965 4.804 5.149 0.009 20 0 "[ . 1 . 2]" 2
1046 1 26 ASP HB2 1 27 ARG HG2 . . 4.920 4.410 4.373 4.469 . 0 0 "[ . 1 . 2]" 2
1047 1 27 ARG HD3 1 28 VAL H . . 5.050 3.070 2.948 3.297 . 0 0 "[ . 1 . 2]" 2
1048 1 27 ARG HD2 1 28 VAL H . . 5.050 3.150 2.895 3.380 . 0 0 "[ . 1 . 2]" 2
1049 1 6 SER QB 1 28 VAL HB . . 5.330 4.568 3.044 5.138 . 0 0 "[ . 1 . 2]" 2
1050 1 6 SER QB 1 15 VAL MG2 . . 5.070 4.166 3.528 4.744 . 0 0 "[ . 1 . 2]" 2
1051 1 6 SER QB 1 28 VAL MG2 . . 4.200 3.582 1.946 4.199 . 0 0 "[ . 1 . 2]" 2
1052 1 6 SER QB 1 15 VAL HB . . 4.460 3.180 2.696 4.085 . 0 0 "[ . 1 . 2]" 2
1053 1 6 SER QB 1 15 VAL H . . 4.520 3.252 2.160 4.403 . 0 0 "[ . 1 . 2]" 2
1054 1 6 SER HA 1 28 VAL MG1 . . 4.680 4.497 3.176 4.686 0.006 10 0 "[ . 1 . 2]" 2
1055 1 6 SER HA 1 28 VAL HB . . 5.500 4.733 3.615 5.260 . 0 0 "[ . 1 . 2]" 2
1056 1 6 SER HA 1 28 VAL MG2 . . 4.490 3.702 2.507 4.267 . 0 0 "[ . 1 . 2]" 2
1057 1 8 CYS HA 1 28 VAL MG2 . . 5.080 4.764 4.432 5.017 . 0 0 "[ . 1 . 2]" 2
1058 1 29 PHE HA 1 33 CYS HB2 . . 4.350 3.720 3.534 3.993 . 0 0 "[ . 1 . 2]" 2
1059 1 29 PHE HB2 1 34 PHE HA . . 5.100 3.500 3.026 3.866 . 0 0 "[ . 1 . 2]" 2
1060 1 29 PHE HZ 1 34 PHE QD . . 5.320 5.189 4.808 5.327 0.007 17 0 "[ . 1 . 2]" 2
1061 1 27 ARG H 1 29 PHE QE . . 5.410 3.729 3.528 4.018 . 0 0 "[ . 1 . 2]" 2
1062 1 30 HIS HB3 1 31 VAL MG2 . . 4.940 3.202 3.037 3.375 . 0 0 "[ . 1 . 2]" 2
1063 1 32 GLY HA2 1 42 GLN HG3 . . 5.290 4.812 4.352 5.293 0.003 17 0 "[ . 1 . 2]" 2
1064 1 32 GLY HA3 1 35 VAL MG1 . . 5.190 4.584 4.492 4.730 . 0 0 "[ . 1 . 2]" 2
1065 1 10 GLY HA3 1 33 CYS HA . . 5.090 4.795 4.457 5.003 . 0 0 "[ . 1 . 2]" 2
1066 1 33 CYS HB3 1 35 VAL MG1 . . 5.500 4.993 4.868 5.170 . 0 0 "[ . 1 . 2]" 2
1067 1 33 CYS HB3 1 35 VAL MG2 . . 5.500 5.184 4.955 5.425 . 0 0 "[ . 1 . 2]" 2
1068 1 33 CYS HB2 1 35 VAL MG1 . . 5.500 5.177 5.057 5.328 . 0 0 "[ . 1 . 2]" 2
1069 1 33 CYS H 1 34 PHE HA . . 5.500 5.417 5.315 5.467 . 0 0 "[ . 1 . 2]" 2
1070 1 34 PHE HA 1 43 LEU H . . 5.500 5.425 5.152 5.536 0.036 12 0 "[ . 1 . 2]" 2
1071 1 22 VAL H 1 34 PHE HB2 . . 5.500 5.136 4.849 5.480 . 0 0 "[ . 1 . 2]" 2
1072 1 30 HIS H 1 34 PHE HB2 . . 5.500 4.513 4.163 4.868 . 0 0 "[ . 1 . 2]" 2
1073 1 29 PHE QD 1 34 PHE HB2 . . 4.930 3.894 3.551 4.159 . 0 0 "[ . 1 . 2]" 2
1074 1 36 CYS HB3 1 56 TYR HA . . 5.150 4.723 4.641 4.784 . 0 0 "[ . 1 . 2]" 2
1075 1 37 SER HB3 1 54 ARG HB2 . . 5.040 4.712 4.177 5.055 0.015 10 0 "[ . 1 . 2]" 2
1076 1 37 SER HB3 1 55 ALA MB . . 5.190 4.981 4.634 5.219 0.029 15 0 "[ . 1 . 2]" 2
1077 1 37 SER HB2 1 55 ALA MB . . 5.190 4.390 4.062 4.652 . 0 0 "[ . 1 . 2]" 2
1078 1 37 SER HB2 1 54 ARG HB2 . . 5.040 4.540 3.951 4.773 . 0 0 "[ . 1 . 2]" 2
1079 1 42 GLN HA 1 44 ARG H . . 4.870 3.469 3.390 3.616 . 0 0 "[ . 1 . 2]" 2
1080 1 42 GLN HB2 1 44 ARG H . . 5.500 4.424 4.280 4.592 . 0 0 "[ . 1 . 2]" 2
1081 1 34 PHE QD 1 43 LEU H . . 5.500 3.895 3.606 4.182 . 0 0 "[ . 1 . 2]" 2
1082 1 43 LEU HA 1 48 PHE HB3 . . 5.090 4.666 4.238 5.018 . 0 0 "[ . 1 . 2]" 2
1083 1 43 LEU MD2 1 58 GLU H . . 4.460 4.289 4.104 4.461 0.001 20 0 "[ . 1 . 2]" 2
1084 1 43 LEU MD2 1 46 GLN HB2 . . 4.670 4.539 4.283 4.711 0.041 15 0 "[ . 1 . 2]" 2
1085 1 44 ARG HA 1 44 ARG QD . . 4.910 3.847 2.395 4.340 . 0 0 "[ . 1 . 2]" 2
1086 1 22 VAL MG2 1 44 ARG HA . . 5.340 2.924 2.298 3.875 . 0 0 "[ . 1 . 2]" 2
1087 1 31 VAL MG1 1 44 ARG QB . . 5.140 3.499 2.431 4.590 . 0 0 "[ . 1 . 2]" 2
1088 1 44 ARG H 1 44 ARG QD . . 5.250 4.266 3.441 4.798 . 0 0 "[ . 1 . 2]" 2
1089 1 44 ARG QB 1 45 GLY HA3 . . 5.210 4.347 3.986 4.623 . 0 0 "[ . 1 . 2]" 2
1090 1 47 HIS QB 1 49 TYR QE . . 4.950 4.638 4.041 4.955 0.005 12 0 "[ . 1 . 2]" 2
1091 1 48 PHE HA 1 49 TYR QB . . 5.150 4.262 4.215 4.318 . 0 0 "[ . 1 . 2]" 2
1092 1 49 TYR H 1 55 ALA HA . . 4.570 4.092 3.914 4.386 . 0 0 "[ . 1 . 2]" 2
1093 1 49 TYR QE 1 58 GLU H . . 4.970 4.149 3.791 4.437 . 0 0 "[ . 1 . 2]" 2
1094 1 48 PHE HA 1 49 TYR QE . . 4.850 4.669 4.452 4.839 . 0 0 "[ . 1 . 2]" 2
1095 1 51 VAL H 1 51 VAL MG1 . . 4.280 3.901 3.874 3.941 . 0 0 "[ . 1 . 2]" 2
1096 1 51 VAL MG1 1 56 TYR QE . . 4.000 3.487 3.067 3.757 . 0 0 "[ . 1 . 2]" 2
1097 1 50 ALA H 1 51 VAL MG2 . . 4.760 3.398 3.155 3.697 . 0 0 "[ . 1 . 2]" 2
1098 1 49 TYR QB 1 51 VAL MG2 . . 4.140 2.863 2.689 3.049 . 0 0 "[ . 1 . 2]" 2
1099 1 52 GLU HA 1 54 ARG H . . 5.320 4.666 4.523 4.726 . 0 0 "[ . 1 . 2]" 2
1100 1 51 VAL HA 1 52 GLU HA . . 4.550 4.367 4.364 4.387 . 0 0 "[ . 1 . 2]" 2
1101 1 52 GLU HB2 1 54 ARG H . . 5.450 4.270 4.044 4.659 . 0 0 "[ . 1 . 2]" 2
1102 1 54 ARG H 1 54 ARG HD2 . . 5.500 5.221 4.919 5.372 . 0 0 "[ . 1 . 2]" 2
1103 1 54 ARG HD2 1 55 ALA H . . 5.500 4.861 3.926 5.184 . 0 0 "[ . 1 . 2]" 2
1104 1 54 ARG H 1 54 ARG HD3 . . 5.500 5.437 5.212 5.517 0.017 1 0 "[ . 1 . 2]" 2
1105 1 54 ARG HD3 1 55 ALA H . . 5.500 3.789 3.503 5.251 . 0 0 "[ . 1 . 2]" 2
1106 1 49 TYR QB 1 56 TYR QD . . 4.880 3.659 3.401 3.845 . 0 0 "[ . 1 . 2]" 2
1107 1 54 ARG HG2 1 56 TYR QE . . 5.120 4.729 4.512 4.994 . 0 0 "[ . 1 . 2]" 2
1108 1 57 CYS HA 1 58 GLU HA . . 4.520 4.301 4.293 4.307 . 0 0 "[ . 1 . 2]" 2
1109 1 58 GLU HB2 1 62 VAL MG2 . . 5.330 4.765 4.562 4.911 . 0 0 "[ . 1 . 2]" 2
1110 1 58 GLU HB3 1 62 VAL MG2 . . 5.500 4.545 4.248 4.737 . 0 0 "[ . 1 . 2]" 2
1111 1 58 GLU QG 1 61 TYR QD . . 5.060 4.353 4.043 4.715 . 0 0 "[ . 1 . 2]" 2
1112 1 58 GLU H 1 59 GLY HA3 . . 5.500 5.334 5.226 5.369 . 0 0 "[ . 1 . 2]" 2
1113 1 39 CYS H 1 60 CYS QB . . 4.840 4.057 3.883 4.278 . 0 0 "[ . 1 . 2]" 2
1114 1 62 VAL HB 1 63 ALA MB . . 5.050 4.022 3.912 4.086 . 0 0 "[ . 1 . 2]" 2
1115 1 65 LEU HA 1 65 LEU MD1 . . 4.330 3.921 3.884 3.953 . 0 0 "[ . 1 . 2]" 2
1116 1 63 ALA HA 1 66 GLU HG3 . . 5.020 3.743 2.928 5.028 0.008 17 0 "[ . 1 . 2]" 2
1117 1 62 VAL HB 1 65 LEU MD1 . . 5.110 4.661 4.338 4.938 . 0 0 "[ . 1 . 2]" 2
1118 1 62 VAL MG2 1 65 LEU MD1 . . 3.660 3.124 2.758 3.447 . 0 0 "[ . 1 . 2]" 2
1119 1 62 VAL MG1 1 65 LEU MD1 . . 3.640 3.006 2.650 3.372 . 0 0 "[ . 1 . 2]" 2
1120 1 55 ALA MB 1 56 TYR QD . . 5.170 4.810 4.731 4.927 . 0 0 "[ . 1 . 2]" 2
1121 1 35 VAL HA 1 43 LEU HG . . 3.610 2.132 2.000 2.345 . 0 0 "[ . 1 . 2]" 2
1122 1 15 VAL HA 1 30 HIS HE1 . . 5.190 4.006 3.495 4.382 . 0 0 "[ . 1 . 2]" 2
1123 1 40 ARG HB2 1 40 ARG QD . . 3.560 2.653 2.132 3.477 . 0 0 "[ . 1 . 2]" 2
1124 1 15 VAL HB 1 28 VAL MG2 . . 4.200 4.088 3.826 4.229 0.029 14 0 "[ . 1 . 2]" 2
1125 1 28 VAL MG2 1 29 PHE HA . . 5.500 5.481 5.434 5.513 0.013 7 0 "[ . 1 . 2]" 2
1126 1 8 CYS H 1 12 GLY QA . . 4.130 3.128 2.592 3.536 . 0 0 "[ . 1 . 2]" 2
1127 1 9 GLY HA2 1 27 ARG QD . . 4.010 3.356 3.175 3.504 . 0 0 "[ . 1 . 2]" 2
1128 1 9 GLY HA3 1 27 ARG QD . . 3.870 2.551 2.333 2.651 . 0 0 "[ . 1 . 2]" 2
1129 1 11 CYS H 1 12 GLY QA . . 4.660 4.207 3.956 4.327 . 0 0 "[ . 1 . 2]" 2
1130 1 11 CYS HA 1 12 GLY QA . . 4.800 4.238 4.233 4.253 . 0 0 "[ . 1 . 2]" 2
1131 1 11 CYS HB2 1 13 GLU QG . . 4.150 3.428 2.751 4.062 . 0 0 "[ . 1 . 2]" 2
1132 1 13 GLU H 1 13 GLU QG . . 3.010 2.346 2.026 2.740 . 0 0 "[ . 1 . 2]" 2
1133 1 13 GLU HA 1 13 GLU QG . . 3.020 2.418 2.345 2.476 . 0 0 "[ . 1 . 2]" 2
1134 1 13 GLU HB2 1 13 GLU QG . . 2.630 2.211 2.142 2.432 . 0 0 "[ . 1 . 2]" 2
1135 1 13 GLU QG 1 14 ASP H . . 4.310 4.080 3.980 4.148 . 0 0 "[ . 1 . 2]" 2
1136 1 13 GLU QG 1 30 HIS HE1 . . 4.240 4.004 3.788 4.218 . 0 0 "[ . 1 . 2]" 2
1137 1 14 ASP HA 1 16 VAL QG . . 4.970 4.815 4.432 4.945 . 0 0 "[ . 1 . 2]" 2
1138 1 14 ASP HB2 1 16 VAL QG . . 3.550 3.397 3.139 3.574 0.024 10 0 "[ . 1 . 2]" 2
1139 1 14 ASP HB3 1 16 VAL QG . . 3.540 3.380 3.141 3.549 0.009 10 0 "[ . 1 . 2]" 2
1140 1 15 VAL H 1 16 VAL QG . . 4.570 4.067 3.346 4.387 . 0 0 "[ . 1 . 2]" 2
1141 1 15 VAL HA 1 16 VAL QG . . 3.910 3.669 3.407 3.821 . 0 0 "[ . 1 . 2]" 2
1142 1 16 VAL H 1 16 VAL QG . . 3.080 2.446 1.909 3.017 . 0 0 "[ . 1 . 2]" 2
1143 1 16 VAL QG 1 17 GLY H . . 4.210 2.310 1.916 2.948 . 0 0 "[ . 1 . 2]" 2
1144 1 16 VAL QG 1 17 GLY QA . . 4.030 3.062 2.617 3.734 . 0 0 "[ . 1 . 2]" 2
1145 1 16 VAL QG 1 18 ASP QB . . 5.130 4.676 3.395 5.085 . 0 0 "[ . 1 . 2]" 2
1146 1 17 GLY QA 1 18 ASP QB . . 4.960 3.849 3.586 4.160 . 0 0 "[ . 1 . 2]" 2
1147 1 17 GLY QA 1 20 ALA MB . . 3.640 2.577 1.954 3.414 . 0 0 "[ . 1 . 2]" 2
1148 1 18 ASP QB 1 19 GLY QA . . 4.740 4.139 3.679 4.549 . 0 0 "[ . 1 . 2]" 2
1149 1 22 VAL HA 1 23 VAL QG . . 4.210 3.667 3.355 3.936 . 0 0 "[ . 1 . 2]" 2
1150 1 23 VAL H 1 23 VAL QG . . 3.190 2.365 1.944 2.564 . 0 0 "[ . 1 . 2]" 2
1151 1 23 VAL QG 1 24 ALA H . . 3.380 2.848 2.559 3.318 . 0 0 "[ . 1 . 2]" 2
1152 1 23 VAL QG 1 24 ALA HA . . 3.860 3.375 3.221 3.530 . 0 0 "[ . 1 . 2]" 2
1153 1 23 VAL QG 1 25 LEU H . . 4.850 4.403 3.988 4.774 . 0 0 "[ . 1 . 2]" 2
1154 1 23 VAL QG 1 26 ASP HA . . 4.380 3.574 3.233 4.255 . 0 0 "[ . 1 . 2]" 2
1155 1 23 VAL QG 1 27 ARG H . . 4.220 3.255 2.975 3.944 . 0 0 "[ . 1 . 2]" 2
1156 1 23 VAL QG 1 28 VAL HA . . 3.770 3.095 2.440 3.424 . 0 0 "[ . 1 . 2]" 2
1157 1 23 VAL QG 1 28 VAL HB . . 4.920 4.529 4.277 4.762 . 0 0 "[ . 1 . 2]" 2
1158 1 23 VAL QG 1 29 PHE H . . 4.880 4.224 3.449 4.652 . 0 0 "[ . 1 . 2]" 2
1159 1 27 ARG HA 1 27 ARG QD . . 3.160 2.497 2.420 2.576 . 0 0 "[ . 1 . 2]" 2
1160 1 27 ARG HB2 1 27 ARG QD . . 3.650 3.212 3.203 3.226 . 0 0 "[ . 1 . 2]" 2
1161 1 27 ARG HB3 1 27 ARG QD . . 3.200 2.141 2.065 2.180 . 0 0 "[ . 1 . 2]" 2
1162 1 27 ARG QD 1 28 VAL H . . 4.330 2.757 2.690 2.814 . 0 0 "[ . 1 . 2]" 2
1163 1 27 ARG QD 1 29 PHE QE . . 4.400 3.725 3.566 4.078 . 0 0 "[ . 1 . 2]" 2
1164 1 27 ARG QD 1 29 PHE HZ . . 4.610 3.399 3.180 3.946 . 0 0 "[ . 1 . 2]" 2
1165 1 31 VAL MG2 1 42 GLN QE . . 4.330 3.583 3.088 3.998 . 0 0 "[ . 1 . 2]" 2
1166 1 31 VAL MG2 1 44 ARG QG . . 5.340 4.375 3.250 5.118 . 0 0 "[ . 1 . 2]" 2
1167 1 32 GLY HA2 1 42 GLN QE . . 4.710 2.174 1.879 2.651 . 0 0 "[ . 1 . 2]" 2
1168 1 34 PHE QD 1 43 LEU QB . . 3.860 2.533 2.256 2.791 . 0 0 "[ . 1 . 2]" 2
1169 1 34 PHE QE 1 43 LEU QB . . 4.090 2.698 2.488 3.017 . 0 0 "[ . 1 . 2]" 2
1170 1 35 VAL HB 1 40 ARG QB . . 4.910 3.623 3.475 3.752 . 0 0 "[ . 1 . 2]" 2
1171 1 35 VAL MG1 1 42 GLN QE . . 4.570 3.924 3.797 4.057 . 0 0 "[ . 1 . 2]" 2
1172 1 35 VAL MG2 1 40 ARG QB . . 3.740 2.519 2.259 2.825 . 0 0 "[ . 1 . 2]" 2
1173 1 35 VAL MG2 1 40 ARG QG . . 3.960 2.817 2.269 3.943 . 0 0 "[ . 1 . 2]" 2
1174 1 36 CYS H 1 40 ARG QB . . 5.340 4.642 4.500 4.755 . 0 0 "[ . 1 . 2]" 2
1175 1 36 CYS HA 1 37 SER QB . . 4.570 4.119 4.071 4.350 . 0 0 "[ . 1 . 2]" 2
1176 1 37 SER H 1 37 SER QB . . 3.000 2.292 2.253 2.331 . 0 0 "[ . 1 . 2]" 2
1177 1 37 SER HA 1 40 ARG QG . . 5.300 3.694 3.364 4.209 . 0 0 "[ . 1 . 2]" 2
1178 1 37 SER QB 1 38 THR H . . 3.670 3.012 2.921 3.092 . 0 0 "[ . 1 . 2]" 2
1179 1 37 SER QB 1 38 THR HA . . 4.880 4.437 4.039 4.542 . 0 0 "[ . 1 . 2]" 2
1180 1 37 SER QB 1 54 ARG HB2 . . 4.420 4.114 3.611 4.296 . 0 0 "[ . 1 . 2]" 2
1181 1 37 SER QB 1 54 ARG HB3 . . 3.630 2.731 2.227 2.908 . 0 0 "[ . 1 . 2]" 2
1182 1 37 SER QB 1 54 ARG QG . . 4.660 3.604 3.377 4.187 . 0 0 "[ . 1 . 2]" 2
1183 1 37 SER QB 1 56 TYR QD . . 4.150 3.542 3.388 3.738 . 0 0 "[ . 1 . 2]" 2
1184 1 37 SER QB 1 56 TYR QE . . 3.390 2.839 2.602 3.114 . 0 0 "[ . 1 . 2]" 2
1185 1 40 ARG H 1 40 ARG QG . . 3.710 3.207 2.474 3.587 . 0 0 "[ . 1 . 2]" 2
1186 1 40 ARG QB 1 40 ARG QD . . 3.060 2.305 2.090 2.681 . 0 0 "[ . 1 . 2]" 2
1187 1 40 ARG QB 1 41 ALA H . . 4.230 3.880 3.863 3.895 . 0 0 "[ . 1 . 2]" 2
1188 1 40 ARG QB 1 41 ALA HA . . 4.740 4.307 4.281 4.336 . 0 0 "[ . 1 . 2]" 2
1189 1 41 ALA MB 1 46 GLN QE . . 4.970 3.803 2.596 4.557 . 0 0 "[ . 1 . 2]" 2
1190 1 43 LEU H 1 43 LEU QB . . 3.460 2.527 2.443 2.604 . 0 0 "[ . 1 . 2]" 2
1191 1 43 LEU HA 1 46 GLN QE . . 5.010 3.070 2.261 4.325 . 0 0 "[ . 1 . 2]" 2
1192 1 43 LEU QB 1 43 LEU MD1 . . 3.190 2.072 2.035 2.096 . 0 0 "[ . 1 . 2]" 2
1193 1 43 LEU QB 1 44 ARG H . . 4.220 3.635 3.602 3.648 . 0 0 "[ . 1 . 2]" 2
1194 1 43 LEU QB 1 48 PHE HB2 . . 4.720 4.125 3.754 4.438 . 0 0 "[ . 1 . 2]" 2
1195 1 43 LEU QB 1 48 PHE HB3 . . 4.390 3.037 2.606 3.465 . 0 0 "[ . 1 . 2]" 2
1196 1 43 LEU QB 1 48 PHE QD . . 4.470 3.061 2.744 3.328 . 0 0 "[ . 1 . 2]" 2
1197 1 44 ARG QB 1 45 GLY QA . . 4.480 4.072 3.731 4.351 . 0 0 "[ . 1 . 2]" 2
1198 1 44 ARG QG 1 45 GLY QA . . 4.660 3.376 2.832 4.294 . 0 0 "[ . 1 . 2]" 2
1199 1 45 GLY QA 1 46 GLN HA . . 4.970 3.971 3.948 4.009 . 0 0 "[ . 1 . 2]" 2
1200 1 45 GLY QA 1 46 GLN HB3 . . 5.340 4.189 4.096 4.618 . 0 0 "[ . 1 . 2]" 2
1201 1 45 GLY QA 1 46 GLN QG . . 5.180 4.167 3.825 4.367 . 0 0 "[ . 1 . 2]" 2
1202 1 46 GLN HA 1 46 GLN QG . . 3.500 3.333 3.314 3.399 . 0 0 "[ . 1 . 2]" 2
1203 1 46 GLN HB3 1 46 GLN QE . . 4.340 3.291 2.053 4.091 . 0 0 "[ . 1 . 2]" 2
1204 1 46 GLN QG 1 47 HIS H . . 4.800 3.232 2.813 3.936 . 0 0 "[ . 1 . 2]" 2
1205 1 51 VAL MG1 1 52 GLU QG . . 3.210 2.013 1.911 2.240 . 0 0 "[ . 1 . 2]" 2
1206 1 52 GLU HA 1 52 GLU QG . . 3.210 2.383 2.233 3.259 0.049 17 0 "[ . 1 . 2]" 2
1207 1 52 GLU HA 1 53 ARG QG . . 4.230 3.576 3.300 4.116 . 0 0 "[ . 1 . 2]" 2
1208 1 52 GLU QB 1 54 ARG H . . 4.660 4.067 3.862 4.415 . 0 0 "[ . 1 . 2]" 2
1209 1 54 ARG H 1 54 ARG QG . . 3.530 3.334 2.912 3.481 . 0 0 "[ . 1 . 2]" 2
1210 1 54 ARG HA 1 54 ARG QG . . 3.070 2.217 2.148 2.380 . 0 0 "[ . 1 . 2]" 2
1211 1 54 ARG HA 1 54 ARG QD . . 4.070 3.748 3.651 3.883 . 0 0 "[ . 1 . 2]" 2
1212 1 54 ARG HB2 1 54 ARG QD . . 3.460 2.683 2.494 2.947 . 0 0 "[ . 1 . 2]" 2
1213 1 54 ARG QG 1 55 ALA H . . 4.210 3.574 3.411 3.939 . 0 0 "[ . 1 . 2]" 2
1214 1 54 ARG QG 1 56 TYR QE . . 4.420 3.791 3.493 4.045 . 0 0 "[ . 1 . 2]" 2
1215 1 54 ARG QD 1 56 TYR QE . . 4.340 3.058 2.722 3.565 . 0 0 "[ . 1 . 2]" 2
1216 1 63 ALA HA 1 66 GLU QB . . 4.070 3.283 2.456 4.043 . 0 0 "[ . 1 . 2]" 2
1217 1 66 GLU H 1 66 GLU QB . . 3.170 2.380 2.109 2.559 . 0 0 "[ . 1 . 2]" 2
1218 1 66 GLU H 1 66 GLU QG . . 3.850 2.658 1.989 3.973 0.123 13 0 "[ . 1 . 2]" 2
1219 1 66 GLU HA 1 66 GLU QG . . 3.530 2.836 2.205 3.485 . 0 0 "[ . 1 . 2]" 2
1220 1 66 GLU QB 1 66 GLU QG . . 2.290 2.037 1.948 2.086 . 0 0 "[ . 1 . 2]" 2
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