NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508953 |
2yrk   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yrk
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 1
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 154.651
_Distance_constraint_stats_list.Viol_max 0.461
_Distance_constraint_stats_list.Viol_rms 0.0962
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3866
_Distance_constraint_stats_list.Viol_average_violations_only 0.3866
_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 32 HIS 7.733 0.461 20 0 "[ . 1 . 2]"
1 35 SER 7.733 0.461 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 32 HIS HA 1 35 SER H . . 4.000 4.387 4.083 4.461 0.461 20 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 26
_Distance_constraint_stats_list.Viol_total 0.549
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0011
_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 16 CYS 0.010 0.002 20 0 "[ . 1 . 2]"
1 19 CYS 0.016 0.005 20 0 "[ . 1 . 2]"
1 32 HIS 0.017 0.005 20 0 "[ . 1 . 2]"
1 38 HIS 0.006 0.003 20 0 "[ . 1 . 2]"
2 1 ZN 0.007 0.002 6 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 16 CYS SG 2 1 ZN ZN . 2.190 2.390 2.274 2.199 2.368 . 0 0 "[ . 1 . 2]" 2
2 1 16 CYS CB 2 1 ZN ZN . 3.250 3.510 3.451 3.283 3.510 0.000 6 0 "[ . 1 . 2]" 2
3 1 19 CYS SG 2 1 ZN ZN . 2.190 2.390 2.289 2.190 2.389 . 0 0 "[ . 1 . 2]" 2
4 1 19 CYS CB 2 1 ZN ZN . 3.250 3.510 3.326 3.248 3.506 0.002 14 0 "[ . 1 . 2]" 2
5 1 32 HIS NE2 2 1 ZN ZN . . 2.100 2.031 1.903 2.102 0.002 6 0 "[ . 1 . 2]" 2
6 1 38 HIS ND1 2 1 ZN ZN . . 2.100 2.018 1.904 2.100 0.000 15 0 "[ . 1 . 2]" 2
7 1 16 CYS SG 1 19 CYS SG . 3.560 3.960 3.587 3.559 3.698 0.001 15 0 "[ . 1 . 2]" 2
8 1 16 CYS SG 1 32 HIS NE2 . 3.320 3.720 3.338 3.318 3.585 0.002 20 0 "[ . 1 . 2]" 2
9 1 16 CYS SG 1 38 HIS ND1 . 3.320 3.720 3.678 3.615 3.721 0.001 19 0 "[ . 1 . 2]" 2
10 1 19 CYS SG 1 32 HIS NE2 . 3.320 3.720 3.718 3.705 3.725 0.005 20 0 "[ . 1 . 2]" 2
11 1 19 CYS SG 1 38 HIS ND1 . 3.320 3.720 3.452 3.317 3.717 0.003 20 0 "[ . 1 . 2]" 2
12 1 32 HIS NE2 1 38 HIS ND1 . 3.000 3.600 3.279 3.004 3.599 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 320
_Distance_constraint_stats_list.Viol_total 3018.811
_Distance_constraint_stats_list.Viol_max 0.756
_Distance_constraint_stats_list.Viol_rms 0.1556
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4717
_Distance_constraint_stats_list.Viol_average_violations_only 0.4717
_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 29 ILE 41.387 0.756 9 20 [*****-**+***********]
1 33 ILE 41.387 0.756 9 20 [*****-**+***********]
1 38 HIS 45.143 0.733 12 20 [***********+**-*****]
1 39 ILE 34.186 0.713 18 16 "[*** . ***1*-*****+**]"
1 40 SER 30.224 0.674 11 12 "[* **.*****+ * * * 2]"
1 42 VAL 45.143 0.733 12 20 [***********+**-*****]
1 43 ARG 34.186 0.713 18 16 "[*** . ***1*-*****+**]"
1 44 GLU 30.224 0.674 11 12 "[* **.*****+ * * * 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 29 ILE O 1 33 ILE H . . 1.700 2.081 1.873 2.202 0.502 15 2 "[ .- 1 + 2]" 3
2 1 29 ILE C 1 33 ILE H . . 2.600 3.262 3.104 3.356 0.756 9 20 [********+*-*********] 3
3 1 29 ILE O 1 33 ILE N . . 2.600 3.033 2.802 3.160 0.560 6 5 "[ .+ ** * - 2]" 3
4 1 29 ILE C 1 33 ILE N . . 3.600 4.194 4.023 4.295 0.695 9 19 "[*******-+* *********]" 3
5 1 38 HIS O 1 42 VAL H . . 1.700 2.167 2.002 2.201 0.501 18 2 "[ . 1 - + 2]" 3
6 1 38 HIS C 1 42 VAL H . . 2.600 3.288 3.167 3.333 0.733 12 20 [**-********+********] 3
7 1 38 HIS O 1 42 VAL N . . 2.600 3.070 2.926 3.143 0.543 18 7 "[* *. * ** - + 2]" 3
8 1 38 HIS C 1 42 VAL N . . 3.600 4.233 4.122 4.289 0.689 8 20 [**-****+************] 3
9 1 39 ILE O 1 43 ARG H . . 1.700 2.042 1.839 2.178 0.478 18 0 "[ . 1 . 2]" 3
10 1 39 ILE C 1 43 ARG H . . 2.600 3.191 3.047 3.313 0.713 18 16 "[*** . ***1-******+**]" 3
11 1 39 ILE O 1 43 ARG N . . 2.600 2.890 2.728 3.050 0.450 14 0 "[ . 1 . 2]" 3
12 1 39 ILE C 1 43 ARG N . . 3.600 4.087 3.931 4.226 0.626 14 9 "[ * . ** 1 - +. ****]" 3
13 1 40 SER O 1 44 GLU H . . 1.700 1.980 1.798 2.193 0.493 11 0 "[ . 1 . 2]" 3
14 1 40 SER C 1 44 GLU H . . 2.600 3.130 2.959 3.274 0.674 11 12 "[* -*.*****+ * * * 2]" 3
15 1 40 SER O 1 44 GLU N . . 2.600 2.854 2.674 3.047 0.447 10 0 "[ . 1 . 2]" 3
16 1 40 SER C 1 44 GLU N . . 3.600 4.048 3.880 4.219 0.619 10 7 "[ *. *+- * * * 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 695
_Distance_constraint_stats_list.Viol_count 187
_Distance_constraint_stats_list.Viol_total 17.078
_Distance_constraint_stats_list.Viol_max 0.044
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0046
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 THR 0.005 0.004 5 0 "[ . 1 . 2]"
1 13 LYS 0.030 0.023 19 0 "[ . 1 . 2]"
1 14 PRO 0.129 0.044 20 0 "[ . 1 . 2]"
1 15 GLU 0.072 0.044 20 0 "[ . 1 . 2]"
1 16 CYS 0.043 0.012 18 0 "[ . 1 . 2]"
1 17 THR 0.012 0.008 18 0 "[ . 1 . 2]"
1 18 LEU 0.011 0.004 17 0 "[ . 1 . 2]"
1 19 CYS 0.031 0.013 20 0 "[ . 1 . 2]"
1 20 GLY 0.032 0.013 20 0 "[ . 1 . 2]"
1 21 VAL 0.025 0.008 18 0 "[ . 1 . 2]"
1 22 LYS 0.027 0.016 15 0 "[ . 1 . 2]"
1 23 TYR 0.064 0.016 15 0 "[ . 1 . 2]"
1 24 SER 0.009 0.006 15 0 "[ . 1 . 2]"
1 25 ALA 0.033 0.015 20 0 "[ . 1 . 2]"
1 26 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.052 0.014 15 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 13 0 "[ . 1 . 2]"
1 29 ILE 0.032 0.011 20 0 "[ . 1 . 2]"
1 30 ARG 0.015 0.011 13 0 "[ . 1 . 2]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 HIS 0.060 0.014 20 0 "[ . 1 . 2]"
1 33 ILE 0.034 0.009 18 0 "[ . 1 . 2]"
1 34 PHE 0.025 0.005 20 0 "[ . 1 . 2]"
1 35 SER 0.065 0.044 17 0 "[ . 1 . 2]"
1 36 LYS 0.222 0.044 17 0 "[ . 1 . 2]"
1 37 GLN 0.092 0.027 17 0 "[ . 1 . 2]"
1 38 HIS 0.084 0.027 17 0 "[ . 1 . 2]"
1 39 ILE 0.083 0.022 17 0 "[ . 1 . 2]"
1 40 SER 0.055 0.022 17 0 "[ . 1 . 2]"
1 41 LYS 0.010 0.004 17 0 "[ . 1 . 2]"
1 42 VAL 0.005 0.002 1 0 "[ . 1 . 2]"
1 43 ARG 0.005 0.002 17 0 "[ . 1 . 2]"
1 44 GLU 0.001 0.001 15 0 "[ . 1 . 2]"
1 45 THR 0.025 0.010 17 0 "[ . 1 . 2]"
1 46 VAL 0.034 0.010 17 0 "[ . 1 . 2]"
1 47 GLY 0.010 0.005 17 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 0.003 0.002 18 0 "[ . 1 . 2]"
1 51 ASP 0.023 0.023 9 0 "[ . 1 . 2]"
1 52 ARG 0.045 0.023 9 0 "[ . 1 . 2]"
1 53 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 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 52 ARG H 1 52 ARG QG . . 3.920 3.021 1.967 3.933 0.013 7 0 "[ . 1 . 2]" 4
2 1 51 ASP HA 1 52 ARG H . . 3.460 2.513 2.139 3.483 0.023 9 0 "[ . 1 . 2]" 4
3 1 52 ARG H 1 53 GLU H . . 4.660 4.049 1.912 4.628 . 0 0 "[ . 1 . 2]" 4
4 1 50 LEU HG 1 51 ASP H . . 5.240 4.022 2.634 5.021 . 0 0 "[ . 1 . 2]" 4
5 1 50 LEU H 1 50 LEU HG . . 4.230 3.386 1.925 4.232 0.002 18 0 "[ . 1 . 2]" 4
6 1 46 VAL MG1 1 47 GLY H . . 4.860 3.097 1.792 4.261 . 0 0 "[ . 1 . 2]" 4
7 1 46 VAL MG2 1 47 GLY H . . 5.240 2.940 2.298 3.568 . 0 0 "[ . 1 . 2]" 4
8 1 46 VAL HB 1 47 GLY H . . 4.410 4.095 3.817 4.322 . 0 0 "[ . 1 . 2]" 4
9 1 46 VAL H 1 47 GLY H . . 4.300 3.259 1.866 4.305 0.005 4 0 "[ . 1 . 2]" 4
10 1 46 VAL H 1 46 VAL MG1 . . 3.380 2.015 1.867 2.278 . 0 0 "[ . 1 . 2]" 4
11 1 45 THR MG 1 46 VAL H . . 4.170 2.274 1.850 3.998 . 0 0 "[ . 1 . 2]" 4
12 1 46 VAL H 1 46 VAL HB . . 3.440 3.185 2.948 3.393 . 0 0 "[ . 1 . 2]" 4
13 1 45 THR HB 1 46 VAL H . . 3.890 3.756 2.812 3.895 0.005 4 0 "[ . 1 . 2]" 4
14 1 44 GLU QB 1 45 THR H . . 3.800 2.397 2.199 2.993 . 0 0 "[ . 1 . 2]" 4
15 1 42 VAL HA 1 45 THR H . . 4.580 3.871 3.674 4.075 . 0 0 "[ . 1 . 2]" 4
16 1 45 THR H 1 46 VAL H . . 3.780 2.883 2.567 3.044 . 0 0 "[ . 1 . 2]" 4
17 1 43 ARG HB3 1 44 GLU H . . 3.880 3.710 3.397 3.869 . 0 0 "[ . 1 . 2]" 4
18 1 44 GLU H 1 44 GLU HG3 . . 4.070 3.542 2.302 4.070 . 0 0 "[ . 1 . 2]" 4
19 1 44 GLU H 1 44 GLU HG2 . . 4.070 2.661 2.153 3.572 . 0 0 "[ . 1 . 2]" 4
20 1 43 ARG H 1 44 GLU QB . . 4.780 4.433 4.158 4.661 . 0 0 "[ . 1 . 2]" 4
21 1 41 LYS H 1 43 ARG H . . 4.670 4.142 3.987 4.379 . 0 0 "[ . 1 . 2]" 4
22 1 42 VAL H 1 42 VAL MG1 . . 3.770 3.767 3.764 3.772 0.002 1 0 "[ . 1 . 2]" 4
23 1 41 LYS HB3 1 42 VAL H . . 3.700 2.684 2.529 2.816 . 0 0 "[ . 1 . 2]" 4
24 1 42 VAL H 1 42 VAL HB . . 3.060 2.554 2.515 2.604 . 0 0 "[ . 1 . 2]" 4
25 1 41 LYS H 1 42 VAL H . . 3.310 2.750 2.542 2.862 . 0 0 "[ . 1 . 2]" 4
26 1 42 VAL H 1 43 ARG H . . 3.630 2.594 2.497 2.744 . 0 0 "[ . 1 . 2]" 4
27 1 41 LYS H 1 42 VAL MG2 . . 4.570 4.115 3.957 4.224 . 0 0 "[ . 1 . 2]" 4
28 1 41 LYS H 1 41 LYS HG3 . . 4.720 4.485 4.435 4.534 . 0 0 "[ . 1 . 2]" 4
29 1 41 LYS H 1 41 LYS HB3 . . 3.360 2.876 2.762 2.952 . 0 0 "[ . 1 . 2]" 4
30 1 39 ILE HA 1 41 LYS H . . 4.790 4.611 4.222 4.771 . 0 0 "[ . 1 . 2]" 4
31 1 39 ILE MG 1 40 SER H . . 3.890 3.098 2.846 3.308 . 0 0 "[ . 1 . 2]" 4
32 1 39 ILE HB 1 40 SER H . . 3.390 2.307 2.165 2.556 . 0 0 "[ . 1 . 2]" 4
33 1 38 HIS H 1 40 SER H . . 4.530 4.424 4.116 4.547 0.017 17 0 "[ . 1 . 2]" 4
34 1 40 SER H 1 41 LYS H . . 3.440 3.014 2.868 3.138 . 0 0 "[ . 1 . 2]" 4
35 1 39 ILE H 1 39 ILE HB . . 2.960 2.608 2.495 2.702 . 0 0 "[ . 1 . 2]" 4
36 1 38 HIS HB3 1 39 ILE H . . 3.460 2.518 2.224 2.803 . 0 0 "[ . 1 . 2]" 4
37 1 36 LYS HA 1 39 ILE H . . 3.750 3.299 2.992 3.542 . 0 0 "[ . 1 . 2]" 4
38 1 38 HIS H 1 39 ILE HB . . 5.500 4.701 4.531 4.834 . 0 0 "[ . 1 . 2]" 4
39 1 38 HIS H 1 38 HIS HB2 . . 3.330 2.766 2.683 2.858 . 0 0 "[ . 1 . 2]" 4
40 1 37 GLN HB3 1 38 HIS H . . 3.840 3.079 2.232 3.867 0.027 17 0 "[ . 1 . 2]" 4
41 1 37 GLN HG3 1 38 HIS H . . 4.920 4.143 1.993 4.905 . 0 0 "[ . 1 . 2]" 4
42 1 38 HIS H 1 38 HIS HB3 . . 3.240 2.359 2.304 2.411 . 0 0 "[ . 1 . 2]" 4
43 1 35 SER HB2 1 38 HIS H . . 5.130 3.515 3.114 4.837 . 0 0 "[ . 1 . 2]" 4
44 1 35 SER HB3 1 38 HIS H . . 5.130 3.657 2.923 3.983 . 0 0 "[ . 1 . 2]" 4
45 1 38 HIS H 1 39 ILE H . . 3.330 2.603 2.377 2.774 . 0 0 "[ . 1 . 2]" 4
46 1 37 GLN H 1 38 HIS H . . 4.270 3.059 2.993 3.111 . 0 0 "[ . 1 . 2]" 4
47 1 36 LYS HB3 1 37 GLN H . . 4.390 2.450 2.320 2.711 . 0 0 "[ . 1 . 2]" 4
48 1 37 GLN H 1 37 GLN HB2 . . 4.020 2.607 2.207 3.609 . 0 0 "[ . 1 . 2]" 4
49 1 35 SER H 1 39 ILE MD . . 4.500 3.085 2.286 4.005 . 0 0 "[ . 1 . 2]" 4
50 1 35 SER H 1 38 HIS HB2 . . 4.810 4.336 4.079 4.534 . 0 0 "[ . 1 . 2]" 4
51 1 35 SER H 1 38 HIS HB3 . . 4.080 3.029 2.920 3.136 . 0 0 "[ . 1 . 2]" 4
52 1 33 ILE HA 1 35 SER H . . 4.230 3.420 3.351 3.508 . 0 0 "[ . 1 . 2]" 4
53 1 34 PHE HB2 1 35 SER H . . 4.540 4.140 3.982 4.227 . 0 0 "[ . 1 . 2]" 4
54 1 35 SER H 1 35 SER HB3 . . 3.810 3.663 2.924 3.811 0.001 18 0 "[ . 1 . 2]" 4
55 1 34 PHE H 1 35 SER H . . 3.170 2.887 2.707 2.959 . 0 0 "[ . 1 . 2]" 4
56 1 35 SER H 1 38 HIS H . . 4.450 3.879 3.708 4.026 . 0 0 "[ . 1 . 2]" 4
57 1 33 ILE MG 1 34 PHE H . . 4.160 3.975 3.888 4.067 . 0 0 "[ . 1 . 2]" 4
58 1 33 ILE HG13 1 34 PHE H . . 4.430 2.727 2.436 3.011 . 0 0 "[ . 1 . 2]" 4
59 1 34 PHE H 1 34 PHE HB3 . . 3.590 3.511 3.489 3.552 . 0 0 "[ . 1 . 2]" 4
60 1 34 PHE H 1 34 PHE HB2 . . 3.590 2.233 2.200 2.281 . 0 0 "[ . 1 . 2]" 4
61 1 31 ASP HA 1 34 PHE H . . 4.260 3.876 3.793 4.004 . 0 0 "[ . 1 . 2]" 4
62 1 34 PHE H 1 34 PHE QD . . 4.230 2.954 2.789 3.141 . 0 0 "[ . 1 . 2]" 4
63 1 32 HIS H 1 34 PHE H . . 4.770 3.628 3.498 3.735 . 0 0 "[ . 1 . 2]" 4
64 1 33 ILE H 1 33 ILE HG13 . . 3.610 3.480 3.297 3.619 0.009 18 0 "[ . 1 . 2]" 4
65 1 33 ILE H 1 33 ILE HB . . 3.640 3.613 3.598 3.623 . 0 0 "[ . 1 . 2]" 4
66 1 32 HIS HB3 1 33 ILE H . . 3.660 2.053 2.021 2.180 . 0 0 "[ . 1 . 2]" 4
67 1 33 ILE H 1 34 PHE H . . 3.560 2.791 2.729 2.841 . 0 0 "[ . 1 . 2]" 4
68 1 31 ASP H 1 33 ILE H . . 5.140 5.070 4.961 5.118 . 0 0 "[ . 1 . 2]" 4
69 1 32 HIS H 1 33 ILE H . . 3.420 2.893 2.724 2.980 . 0 0 "[ . 1 . 2]" 4
70 1 31 ASP HB2 1 32 HIS H . . 3.960 2.835 2.648 3.025 . 0 0 "[ . 1 . 2]" 4
71 1 32 HIS H 1 32 HIS HB2 . . 3.460 2.672 2.612 2.794 . 0 0 "[ . 1 . 2]" 4
72 1 32 HIS H 1 32 HIS HB3 . . 3.270 2.434 2.379 2.465 . 0 0 "[ . 1 . 2]" 4
73 1 23 TYR QE 1 32 HIS H . . 5.450 5.175 5.001 5.355 . 0 0 "[ . 1 . 2]" 4
74 1 23 TYR QD 1 32 HIS H . . 5.500 5.273 5.135 5.457 . 0 0 "[ . 1 . 2]" 4
75 1 32 HIS H 1 32 HIS HD2 . . 5.500 5.050 4.950 5.107 . 0 0 "[ . 1 . 2]" 4
76 1 31 ASP H 1 32 HIS H . . 3.370 2.923 2.834 3.003 . 0 0 "[ . 1 . 2]" 4
77 1 31 ASP H 1 31 ASP HB3 . . 3.700 3.608 3.585 3.622 . 0 0 "[ . 1 . 2]" 4
78 1 31 ASP H 1 31 ASP HB2 . . 3.700 2.505 2.387 2.691 . 0 0 "[ . 1 . 2]" 4
79 1 28 SER HB3 1 31 ASP H . . 4.780 3.905 3.555 4.227 . 0 0 "[ . 1 . 2]" 4
80 1 28 SER HA 1 31 ASP H . . 5.340 5.053 4.810 5.275 . 0 0 "[ . 1 . 2]" 4
81 1 30 ARG H 1 30 ARG HB2 . . 3.250 2.249 2.179 2.358 . 0 0 "[ . 1 . 2]" 4
82 1 28 SER HA 1 30 ARG H . . 4.590 4.290 4.104 4.474 . 0 0 "[ . 1 . 2]" 4
83 1 29 ILE H 1 30 ARG H . . 3.820 2.897 2.655 3.037 . 0 0 "[ . 1 . 2]" 4
84 1 29 ILE H 1 29 ILE HG13 . . 4.700 4.449 4.346 4.488 . 0 0 "[ . 1 . 2]" 4
85 1 29 ILE H 1 29 ILE HB . . 3.260 2.561 2.483 2.725 . 0 0 "[ . 1 . 2]" 4
86 1 23 TYR HB3 1 29 ILE H . . 5.500 5.129 4.757 5.464 . 0 0 "[ . 1 . 2]" 4
87 1 28 SER HA 1 29 ILE H . . 3.130 2.322 2.229 2.477 . 0 0 "[ . 1 . 2]" 4
88 1 27 LEU HB3 1 28 SER H . . 4.810 3.592 3.434 3.846 . 0 0 "[ . 1 . 2]" 4
89 1 28 SER H 1 31 ASP HB2 . . 4.130 2.226 2.077 2.358 . 0 0 "[ . 1 . 2]" 4
90 1 28 SER H 1 31 ASP H . . 4.290 3.795 3.512 3.952 . 0 0 "[ . 1 . 2]" 4
91 1 27 LEU H 1 27 LEU HB3 . . 3.600 2.694 2.558 2.785 . 0 0 "[ . 1 . 2]" 4
92 1 24 SER H 1 27 LEU H . . 4.350 3.441 3.265 3.738 . 0 0 "[ . 1 . 2]" 4
93 1 23 TYR H 1 23 TYR HB2 . . 3.500 2.894 2.856 2.950 . 0 0 "[ . 1 . 2]" 4
94 1 16 CYS H 1 23 TYR H . . 4.050 3.804 3.515 4.028 . 0 0 "[ . 1 . 2]" 4
95 1 21 VAL HB 1 22 LYS H . . 4.680 4.343 4.126 4.475 . 0 0 "[ . 1 . 2]" 4
96 1 22 LYS H 1 22 LYS HB3 . . 3.540 2.565 2.348 2.843 . 0 0 "[ . 1 . 2]" 4
97 1 22 LYS H 1 23 TYR H . . 4.980 4.293 4.186 4.392 . 0 0 "[ . 1 . 2]" 4
98 1 16 CYS HB3 1 21 VAL H . . 3.610 2.261 2.145 2.360 . 0 0 "[ . 1 . 2]" 4
99 1 20 GLY H 1 21 VAL H . . 3.370 2.761 2.684 2.845 . 0 0 "[ . 1 . 2]" 4
100 1 16 CYS H 1 21 VAL H . . 3.850 3.359 3.152 3.653 . 0 0 "[ . 1 . 2]" 4
101 1 19 CYS H 1 21 VAL H . . 4.610 3.447 3.354 3.516 . 0 0 "[ . 1 . 2]" 4
102 1 17 THR MG 1 20 GLY H . . 5.240 4.870 4.738 5.054 . 0 0 "[ . 1 . 2]" 4
103 1 20 GLY H 1 21 VAL HB . . 5.500 5.130 5.045 5.187 . 0 0 "[ . 1 . 2]" 4
104 1 18 LEU HB3 1 20 GLY H . . 4.810 4.567 4.506 4.713 . 0 0 "[ . 1 . 2]" 4
105 1 16 CYS HB3 1 20 GLY H . . 3.870 3.449 3.372 3.531 . 0 0 "[ . 1 . 2]" 4
106 1 17 THR HA 1 20 GLY H . . 3.850 3.387 3.298 3.461 . 0 0 "[ . 1 . 2]" 4
107 1 19 CYS H 1 20 GLY H . . 3.390 2.319 2.287 2.351 . 0 0 "[ . 1 . 2]" 4
108 1 18 LEU HB3 1 19 CYS H . . 3.290 2.609 2.538 2.756 . 0 0 "[ . 1 . 2]" 4
109 1 16 CYS HB3 1 19 CYS H . . 3.370 2.610 2.522 2.738 . 0 0 "[ . 1 . 2]" 4
110 1 16 CYS H 1 19 CYS H . . 5.500 5.003 4.884 5.174 . 0 0 "[ . 1 . 2]" 4
111 1 18 LEU H 1 18 LEU MD2 . . 4.670 4.080 4.021 4.158 . 0 0 "[ . 1 . 2]" 4
112 1 18 LEU H 1 18 LEU HB3 . . 3.150 2.243 2.217 2.288 . 0 0 "[ . 1 . 2]" 4
113 1 16 CYS HB3 1 18 LEU H . . 4.510 3.791 3.623 3.971 . 0 0 "[ . 1 . 2]" 4
114 1 18 LEU H 1 19 CYS H . . 3.390 2.490 2.318 2.638 . 0 0 "[ . 1 . 2]" 4
115 1 16 CYS H 1 21 VAL MG1 . . 4.750 4.637 4.347 4.755 0.005 15 0 "[ . 1 . 2]" 4
116 1 15 GLU HG3 1 16 CYS H . . 3.830 3.104 2.815 3.466 . 0 0 "[ . 1 . 2]" 4
117 1 16 CYS H 1 16 CYS HB3 . . 3.310 2.947 2.870 2.996 . 0 0 "[ . 1 . 2]" 4
118 1 16 CYS H 1 22 LYS HA . . 4.130 2.853 2.512 3.086 . 0 0 "[ . 1 . 2]" 4
119 1 15 GLU H 1 16 CYS H . . 4.550 4.411 4.393 4.426 . 0 0 "[ . 1 . 2]" 4
120 1 16 CYS H 1 20 GLY H . . 5.100 4.789 4.672 5.104 0.004 18 0 "[ . 1 . 2]" 4
121 1 15 GLU H 1 15 GLU HG3 . . 4.170 3.928 3.842 4.014 . 0 0 "[ . 1 . 2]" 4
122 1 15 GLU H 1 15 GLU HG2 . . 3.680 2.508 2.410 2.640 . 0 0 "[ . 1 . 2]" 4
123 1 14 PRO QD 1 15 GLU H . . 4.650 4.653 4.648 4.694 0.044 20 0 "[ . 1 . 2]" 4
124 1 12 THR MG 1 13 LYS H . . 4.910 4.036 3.469 4.371 . 0 0 "[ . 1 . 2]" 4
125 1 12 THR H 1 12 THR MG . . 4.710 2.614 1.950 3.275 . 0 0 "[ . 1 . 2]" 4
126 1 43 ARG HB2 1 44 GLU H . . 3.880 2.831 2.336 3.171 . 0 0 "[ . 1 . 2]" 4
127 1 39 ILE H 1 39 ILE MG . . 3.950 3.771 3.764 3.782 . 0 0 "[ . 1 . 2]" 4
128 1 33 ILE HA 1 38 HIS H . . 4.930 4.679 4.325 4.931 0.001 8 0 "[ . 1 . 2]" 4
129 1 30 ARG H 1 30 ARG HB3 . . 4.050 3.527 3.487 3.574 . 0 0 "[ . 1 . 2]" 4
130 1 24 SER HB3 1 27 LEU H . . 4.890 3.461 2.476 4.635 . 0 0 "[ . 1 . 2]" 4
131 1 29 ILE HA 1 31 ASP H . . 5.460 5.202 4.995 5.383 . 0 0 "[ . 1 . 2]" 4
132 1 39 ILE H 1 41 LYS H . . 5.020 4.555 4.271 4.785 . 0 0 "[ . 1 . 2]" 4
133 1 42 VAL HA 1 44 GLU H . . 4.990 4.366 4.007 4.989 . 0 0 "[ . 1 . 2]" 4
134 1 32 HIS HA 1 34 PHE H . . 4.250 3.867 3.791 3.974 . 0 0 "[ . 1 . 2]" 4
135 1 14 PRO HA 1 15 GLU H . . 3.430 2.288 2.261 2.291 . 0 0 "[ . 1 . 2]" 4
136 1 26 ARG H 1 27 LEU H . . 5.260 2.613 2.407 2.872 . 0 0 "[ . 1 . 2]" 4
137 1 24 SER HB2 1 27 LEU H . . 4.890 3.719 2.543 4.334 . 0 0 "[ . 1 . 2]" 4
138 1 26 ARG HA 1 26 ARG QG . . 3.290 2.487 2.274 2.901 . 0 0 "[ . 1 . 2]" 4
139 1 52 ARG HA 1 52 ARG QG . . 3.610 2.824 2.126 3.440 . 0 0 "[ . 1 . 2]" 4
140 1 51 ASP H 1 51 ASP HB3 . . 4.210 3.076 2.423 3.684 . 0 0 "[ . 1 . 2]" 4
141 1 50 LEU HA 1 50 LEU MD2 . . 4.340 3.332 2.101 4.106 . 0 0 "[ . 1 . 2]" 4
142 1 50 LEU HA 1 50 LEU MD1 . . 4.340 3.336 2.097 4.046 . 0 0 "[ . 1 . 2]" 4
143 1 49 GLN HA 1 49 GLN QG . . 3.890 2.794 2.271 3.451 . 0 0 "[ . 1 . 2]" 4
144 1 46 VAL MG2 1 47 GLY HA2 . . 4.560 3.912 3.103 4.545 . 0 0 "[ . 1 . 2]" 4
145 1 46 VAL MG2 1 47 GLY HA3 . . 4.560 4.128 3.586 4.516 . 0 0 "[ . 1 . 2]" 4
146 1 46 VAL HA 1 46 VAL MG2 . . 2.960 2.393 2.243 2.466 . 0 0 "[ . 1 . 2]" 4
147 1 42 VAL HA 1 46 VAL MG1 . . 4.470 4.020 3.576 4.280 . 0 0 "[ . 1 . 2]" 4
148 1 43 ARG HA 1 46 VAL MG1 . . 3.500 3.192 2.859 3.502 0.002 17 0 "[ . 1 . 2]" 4
149 1 45 THR HA 1 45 THR MG . . 3.300 3.044 2.049 3.206 . 0 0 "[ . 1 . 2]" 4
150 1 45 THR HA 1 46 VAL MG1 . . 5.120 4.907 4.750 5.105 . 0 0 "[ . 1 . 2]" 4
151 1 44 GLU QB 1 45 THR HA . . 4.760 3.805 3.747 3.969 . 0 0 "[ . 1 . 2]" 4
152 1 18 LEU MD2 1 45 THR HB . . 5.150 4.202 3.421 5.152 0.002 17 0 "[ . 1 . 2]" 4
153 1 18 LEU MD1 1 45 THR HB . . 4.210 2.789 2.130 3.721 . 0 0 "[ . 1 . 2]" 4
154 1 45 THR HB 1 46 VAL MG1 . . 4.730 4.483 3.392 4.725 . 0 0 "[ . 1 . 2]" 4
155 1 45 THR H 1 45 THR HB . . 3.730 2.597 2.309 3.628 . 0 0 "[ . 1 . 2]" 4
156 1 18 LEU MD2 1 45 THR MG . . 3.740 3.385 2.907 3.726 . 0 0 "[ . 1 . 2]" 4
157 1 18 LEU MD1 1 45 THR MG . . 3.460 2.798 1.799 3.354 . 0 0 "[ . 1 . 2]" 4
158 1 41 LYS HB3 1 45 THR MG . . 5.080 4.790 3.987 5.067 . 0 0 "[ . 1 . 2]" 4
159 1 45 THR MG 1 46 VAL HB . . 5.190 3.116 2.542 5.200 0.010 17 0 "[ . 1 . 2]" 4
160 1 42 VAL HA 1 45 THR MG . . 4.220 2.395 2.014 3.601 . 0 0 "[ . 1 . 2]" 4
161 1 45 THR H 1 45 THR MG . . 3.800 2.436 1.899 2.878 . 0 0 "[ . 1 . 2]" 4
162 1 44 GLU HA 1 44 GLU HG2 . . 3.950 2.872 2.463 3.241 . 0 0 "[ . 1 . 2]" 4
163 1 44 GLU QB 1 45 THR MG . . 4.480 4.105 3.299 4.481 0.001 15 0 "[ . 1 . 2]" 4
164 1 44 GLU H 1 44 GLU QB . . 3.140 2.373 2.217 2.528 . 0 0 "[ . 1 . 2]" 4
165 1 44 GLU HA 1 44 GLU HG3 . . 3.950 3.627 2.993 3.851 . 0 0 "[ . 1 . 2]" 4
166 1 43 ARG HA 1 43 ARG HG3 . . 3.830 3.383 2.795 3.810 . 0 0 "[ . 1 . 2]" 4
167 1 43 ARG HA 1 43 ARG HG2 . . 3.830 2.609 2.222 3.016 . 0 0 "[ . 1 . 2]" 4
168 1 43 ARG HB3 1 43 ARG QD . . 3.660 2.453 2.154 2.870 . 0 0 "[ . 1 . 2]" 4
169 1 43 ARG H 1 43 ARG HB2 . . 3.340 2.379 2.198 2.500 . 0 0 "[ . 1 . 2]" 4
170 1 43 ARG H 1 43 ARG HB3 . . 3.800 3.583 3.497 3.618 . 0 0 "[ . 1 . 2]" 4
171 1 43 ARG HB2 1 43 ARG QD . . 3.470 2.957 2.253 3.470 0.000 8 0 "[ . 1 . 2]" 4
172 1 43 ARG HA 1 43 ARG QD . . 4.160 3.237 1.991 4.139 . 0 0 "[ . 1 . 2]" 4
173 1 43 ARG H 1 43 ARG QD . . 4.380 4.074 3.531 4.380 . 0 0 "[ . 1 . 2]" 4
174 1 42 VAL HA 1 45 THR HB . . 4.590 3.836 3.251 4.586 . 0 0 "[ . 1 . 2]" 4
175 1 41 LYS HA 1 42 VAL HA . . 5.260 4.777 4.738 4.824 . 0 0 "[ . 1 . 2]" 4
176 1 42 VAL HA 1 43 ARG HA . . 5.500 4.708 4.663 4.816 . 0 0 "[ . 1 . 2]" 4
177 1 42 VAL HA 1 42 VAL MG1 . . 2.980 2.360 2.275 2.433 . 0 0 "[ . 1 . 2]" 4
178 1 42 VAL HA 1 42 VAL MG2 . . 2.880 2.451 2.430 2.469 . 0 0 "[ . 1 . 2]" 4
179 1 42 VAL HB 1 43 ARG HA . . 4.360 4.310 4.172 4.360 0.000 13 0 "[ . 1 . 2]" 4
180 1 42 VAL HB 1 43 ARG H . . 3.420 2.799 2.415 2.993 . 0 0 "[ . 1 . 2]" 4
181 1 39 ILE MG 1 42 VAL MG2 . . 4.090 3.990 3.790 4.085 . 0 0 "[ . 1 . 2]" 4
182 1 41 LYS HB3 1 42 VAL MG2 . . 4.100 3.002 2.926 3.129 . 0 0 "[ . 1 . 2]" 4
183 1 41 LYS HB2 1 42 VAL MG2 . . 4.460 4.365 4.278 4.460 . 0 0 "[ . 1 . 2]" 4
184 1 39 ILE HA 1 42 VAL MG2 . . 3.200 2.561 2.230 2.788 . 0 0 "[ . 1 . 2]" 4
185 1 42 VAL MG2 1 43 ARG H . . 3.950 3.863 3.744 3.916 . 0 0 "[ . 1 . 2]" 4
186 1 38 HIS HE1 1 42 VAL MG2 . . 4.180 3.459 3.236 3.680 . 0 0 "[ . 1 . 2]" 4
187 1 42 VAL H 1 42 VAL MG2 . . 3.010 2.066 1.938 2.183 . 0 0 "[ . 1 . 2]" 4
188 1 42 VAL MG1 1 43 ARG HA . . 3.700 3.587 3.407 3.700 0.000 13 0 "[ . 1 . 2]" 4
189 1 42 VAL MG1 1 43 ARG H . . 3.830 3.632 3.335 3.787 . 0 0 "[ . 1 . 2]" 4
190 1 41 LYS HA 1 44 GLU QB . . 3.310 2.644 2.342 2.863 . 0 0 "[ . 1 . 2]" 4
191 1 41 LYS HA 1 44 GLU HG3 . . 4.470 3.663 2.797 4.198 . 0 0 "[ . 1 . 2]" 4
192 1 41 LYS HA 1 44 GLU HG2 . . 4.470 3.936 3.040 4.470 . 0 0 "[ . 1 . 2]" 4
193 1 18 LEU MD1 1 41 LYS HB2 . . 5.000 4.814 4.503 5.004 0.004 17 0 "[ . 1 . 2]" 4
194 1 41 LYS H 1 41 LYS HB2 . . 3.250 2.223 2.173 2.306 . 0 0 "[ . 1 . 2]" 4
195 1 41 LYS HB2 1 42 VAL H . . 3.760 3.660 3.541 3.759 . 0 0 "[ . 1 . 2]" 4
196 1 18 LEU MD2 1 41 LYS HB3 . . 3.880 2.781 2.573 2.917 . 0 0 "[ . 1 . 2]" 4
197 1 18 LEU MD1 1 41 LYS HB3 . . 4.280 3.810 3.543 3.986 . 0 0 "[ . 1 . 2]" 4
198 1 41 LYS H 1 41 LYS HG2 . . 4.720 4.592 4.519 4.621 . 0 0 "[ . 1 . 2]" 4
199 1 18 LEU MD1 1 41 LYS HE2 . . 4.820 4.211 3.107 4.823 0.003 18 0 "[ . 1 . 2]" 4
200 1 18 LEU MD1 1 41 LYS HE3 . . 4.820 3.819 3.034 4.813 . 0 0 "[ . 1 . 2]" 4
201 1 39 ILE HB 1 40 SER HA . . 4.620 4.197 4.108 4.343 . 0 0 "[ . 1 . 2]" 4
202 1 40 SER HA 1 43 ARG HB2 . . 3.540 2.787 2.524 3.081 . 0 0 "[ . 1 . 2]" 4
203 1 40 SER HA 1 43 ARG H . . 4.080 3.427 3.223 3.659 . 0 0 "[ . 1 . 2]" 4
204 1 39 ILE MG 1 40 SER QB . . 4.550 4.242 3.966 4.515 . 0 0 "[ . 1 . 2]" 4
205 1 39 ILE HB 1 40 SER QB . . 4.190 4.105 3.919 4.212 0.022 17 0 "[ . 1 . 2]" 4
206 1 40 SER QB 1 41 LYS HB2 . . 4.100 3.933 3.769 4.064 . 0 0 "[ . 1 . 2]" 4
207 1 40 SER QB 1 41 LYS H . . 3.490 2.354 2.177 2.537 . 0 0 "[ . 1 . 2]" 4
208 1 40 SER H 1 40 SER QB . . 3.060 2.245 2.174 2.283 . 0 0 "[ . 1 . 2]" 4
209 1 39 ILE HA 1 39 ILE MD . . 3.400 2.619 1.961 3.306 . 0 0 "[ . 1 . 2]" 4
210 1 39 ILE HA 1 39 ILE MG . . 3.010 2.396 2.281 2.516 . 0 0 "[ . 1 . 2]" 4
211 1 39 ILE HA 1 39 ILE HG13 . . 3.810 3.053 2.185 3.753 . 0 0 "[ . 1 . 2]" 4
212 1 39 ILE HA 1 42 VAL HB . . 3.290 2.726 2.480 2.997 . 0 0 "[ . 1 . 2]" 4
213 1 36 LYS HA 1 39 ILE HA . . 5.070 4.859 4.615 5.072 0.002 10 0 "[ . 1 . 2]" 4
214 1 39 ILE HA 1 40 SER HA . . 4.960 4.881 4.833 4.922 . 0 0 "[ . 1 . 2]" 4
215 1 39 ILE HA 1 43 ARG H . . 4.530 4.356 3.983 4.531 0.001 17 0 "[ . 1 . 2]" 4
216 1 39 ILE HB 1 39 ILE MD . . 3.280 2.721 2.082 3.229 . 0 0 "[ . 1 . 2]" 4
217 1 39 ILE HA 1 39 ILE HG12 . . 3.810 3.249 3.003 3.506 . 0 0 "[ . 1 . 2]" 4
218 1 36 LYS HA 1 39 ILE HG12 . . 4.570 3.089 2.331 3.928 . 0 0 "[ . 1 . 2]" 4
219 1 39 ILE H 1 39 ILE HG12 . . 3.900 2.800 1.900 3.903 0.003 15 0 "[ . 1 . 2]" 4
220 1 39 ILE H 1 39 ILE HG13 . . 3.900 3.245 2.814 3.616 . 0 0 "[ . 1 . 2]" 4
221 1 39 ILE MG 1 42 VAL HB . . 4.060 3.364 3.157 3.664 . 0 0 "[ . 1 . 2]" 4
222 1 39 ILE MG 1 43 ARG QD . . 3.750 3.160 2.238 3.728 . 0 0 "[ . 1 . 2]" 4
223 1 36 LYS HA 1 39 ILE MG . . 3.650 3.529 3.400 3.662 0.012 17 0 "[ . 1 . 2]" 4
224 1 39 ILE MG 1 40 SER HA . . 3.890 3.299 2.964 3.532 . 0 0 "[ . 1 . 2]" 4
225 1 33 ILE HA 1 39 ILE MD . . 4.110 3.867 3.574 4.111 0.001 17 0 "[ . 1 . 2]" 4
226 1 34 PHE HA 1 39 ILE MD . . 3.790 3.334 2.971 3.795 0.005 17 0 "[ . 1 . 2]" 4
227 1 38 HIS H 1 39 ILE MD . . 4.870 4.165 3.303 4.869 . 0 0 "[ . 1 . 2]" 4
228 1 39 ILE H 1 39 ILE MD . . 3.760 2.510 1.844 3.185 . 0 0 "[ . 1 . 2]" 4
229 1 38 HIS HA 1 41 LYS HB3 . . 3.850 3.524 3.054 3.835 . 0 0 "[ . 1 . 2]" 4
230 1 38 HIS HA 1 41 LYS HB2 . . 3.610 3.357 2.961 3.610 0.000 15 0 "[ . 1 . 2]" 4
231 1 38 HIS HA 1 41 LYS H . . 3.830 3.608 3.457 3.768 . 0 0 "[ . 1 . 2]" 4
232 1 38 HIS HB2 1 39 ILE H . . 4.090 3.896 3.702 4.078 . 0 0 "[ . 1 . 2]" 4
233 1 38 HIS HD2 1 42 VAL MG2 . . 3.560 2.085 1.956 2.240 . 0 0 "[ . 1 . 2]" 4
234 1 38 HIS HD2 1 39 ILE MD . . 3.840 2.949 2.413 3.440 . 0 0 "[ . 1 . 2]" 4
235 1 33 ILE HB 1 38 HIS HD2 . . 3.930 3.621 3.345 3.854 . 0 0 "[ . 1 . 2]" 4
236 1 38 HIS HD2 1 42 VAL HB . . 4.710 4.023 3.834 4.210 . 0 0 "[ . 1 . 2]" 4
237 1 38 HIS HB3 1 38 HIS HD2 . . 3.600 2.904 2.816 2.956 . 0 0 "[ . 1 . 2]" 4
238 1 38 HIS HD2 1 39 ILE HA . . 3.760 2.625 2.475 2.817 . 0 0 "[ . 1 . 2]" 4
239 1 38 HIS HD2 1 39 ILE H . . 4.170 3.182 2.902 3.488 . 0 0 "[ . 1 . 2]" 4
240 1 36 LYS QD 1 37 GLN HA . . 5.120 3.989 2.658 5.129 0.009 10 0 "[ . 1 . 2]" 4
241 1 36 LYS HB3 1 37 GLN HA . . 4.350 3.952 3.820 4.163 . 0 0 "[ . 1 . 2]" 4
242 1 37 GLN HA 1 40 SER H . . 4.500 4.300 4.158 4.464 . 0 0 "[ . 1 . 2]" 4
243 1 37 GLN HB2 1 38 HIS H . . 3.840 2.975 2.308 3.763 . 0 0 "[ . 1 . 2]" 4
244 1 37 GLN H 1 37 GLN HB3 . . 4.020 3.204 2.303 3.614 . 0 0 "[ . 1 . 2]" 4
245 1 37 GLN HA 1 37 GLN HG2 . . 3.750 3.057 2.294 3.765 0.015 17 0 "[ . 1 . 2]" 4
246 1 37 GLN HG2 1 38 HIS H . . 4.920 4.230 1.985 4.896 . 0 0 "[ . 1 . 2]" 4
247 1 37 GLN HA 1 37 GLN HG3 . . 3.750 3.370 2.408 3.747 . 0 0 "[ . 1 . 2]" 4
248 1 36 LYS HA 1 39 ILE MD . . 3.940 3.041 1.955 3.952 0.012 17 0 "[ . 1 . 2]" 4
249 1 36 LYS HA 1 39 ILE HG13 . . 4.570 3.387 2.193 4.567 . 0 0 "[ . 1 . 2]" 4
250 1 36 LYS HA 1 36 LYS HG2 . . 3.790 2.585 2.200 3.796 0.006 15 0 "[ . 1 . 2]" 4
251 1 36 LYS HA 1 36 LYS HG3 . . 3.790 3.224 2.468 3.576 . 0 0 "[ . 1 . 2]" 4
252 1 35 SER HA 1 36 LYS HA . . 4.350 4.333 4.298 4.347 . 0 0 "[ . 1 . 2]" 4
253 1 36 LYS H 1 36 LYS HB2 . . 4.060 2.277 2.178 2.490 . 0 0 "[ . 1 . 2]" 4
254 1 36 LYS H 1 36 LYS HB3 . . 4.020 2.904 2.558 3.075 . 0 0 "[ . 1 . 2]" 4
255 1 35 SER HA 1 36 LYS HB2 . . 4.620 4.406 4.292 4.625 0.005 15 0 "[ . 1 . 2]" 4
256 1 35 SER HA 1 36 LYS HB3 . . 5.140 4.926 4.661 5.112 . 0 0 "[ . 1 . 2]" 4
257 1 36 LYS HA 1 36 LYS QD . . 4.060 3.265 1.988 4.092 0.032 13 0 "[ . 1 . 2]" 4
258 1 36 LYS HA 1 36 LYS QE . . 4.680 4.274 3.402 4.680 . 0 0 "[ . 1 . 2]" 4
259 1 35 SER HA 1 35 SER HG . . 3.220 2.560 2.061 3.216 . 0 0 "[ . 1 . 2]" 4
260 1 35 SER HA 1 36 LYS H . . 3.520 2.173 2.148 2.301 . 0 0 "[ . 1 . 2]" 4
261 1 35 SER H 1 35 SER HB2 . . 3.810 2.723 2.649 3.084 . 0 0 "[ . 1 . 2]" 4
262 1 31 ASP HA 1 34 PHE HB2 . . 4.440 2.700 2.522 2.929 . 0 0 "[ . 1 . 2]" 4
263 1 31 ASP HA 1 34 PHE HB3 . . 4.440 3.909 3.707 4.196 . 0 0 "[ . 1 . 2]" 4
264 1 34 PHE HB3 1 35 SER H . . 4.540 4.312 4.277 4.347 . 0 0 "[ . 1 . 2]" 4
265 1 33 ILE MD 1 34 PHE QD . . 4.590 3.163 2.860 3.623 . 0 0 "[ . 1 . 2]" 4
266 1 33 ILE HB 1 34 PHE QD . . 5.500 4.843 4.421 5.336 . 0 0 "[ . 1 . 2]" 4
267 1 30 ARG HB3 1 34 PHE QD . . 4.430 2.729 2.230 3.265 . 0 0 "[ . 1 . 2]" 4
268 1 30 ARG HB3 1 34 PHE QE . . 4.610 3.234 2.586 3.834 . 0 0 "[ . 1 . 2]" 4
269 1 33 ILE MD 1 34 PHE HZ . . 4.900 4.423 3.980 4.647 . 0 0 "[ . 1 . 2]" 4
270 1 33 ILE HA 1 33 ILE MG . . 2.910 2.372 2.244 2.432 . 0 0 "[ . 1 . 2]" 4
271 1 33 ILE HA 1 33 ILE HG12 . . 4.150 3.729 3.654 3.760 . 0 0 "[ . 1 . 2]" 4
272 1 33 ILE HA 1 38 HIS HB2 . . 3.880 2.995 2.566 3.376 . 0 0 "[ . 1 . 2]" 4
273 1 33 ILE HA 1 38 HIS HB3 . . 3.700 2.407 2.128 2.643 . 0 0 "[ . 1 . 2]" 4
274 1 32 HIS HD2 1 33 ILE HA . . 4.100 3.587 3.375 3.773 . 0 0 "[ . 1 . 2]" 4
275 1 33 ILE HA 1 38 HIS HD2 . . 3.320 2.998 2.744 3.220 . 0 0 "[ . 1 . 2]" 4
276 1 33 ILE HB 1 33 ILE MD . . 3.350 2.411 2.340 2.497 . 0 0 "[ . 1 . 2]" 4
277 1 30 ARG HA 1 33 ILE HB . . 4.960 4.859 4.807 4.940 . 0 0 "[ . 1 . 2]" 4
278 1 33 ILE HG12 1 34 PHE H . . 4.430 2.808 2.620 2.934 . 0 0 "[ . 1 . 2]" 4
279 1 33 ILE H 1 33 ILE HG12 . . 3.610 2.290 2.147 2.441 . 0 0 "[ . 1 . 2]" 4
280 1 33 ILE HA 1 33 ILE HG13 . . 4.150 3.698 3.656 3.783 . 0 0 "[ . 1 . 2]" 4
281 1 33 ILE H 1 33 ILE MG . . 3.360 2.001 1.878 2.283 . 0 0 "[ . 1 . 2]" 4
282 1 33 ILE MG 1 34 PHE QE . . 5.500 5.474 5.391 5.505 0.005 20 0 "[ . 1 . 2]" 4
283 1 33 ILE MG 1 38 HIS HD2 . . 3.970 3.888 3.741 3.972 0.002 20 0 "[ . 1 . 2]" 4
284 1 30 ARG HA 1 33 ILE MG . . 4.160 3.589 3.191 3.751 . 0 0 "[ . 1 . 2]" 4
285 1 32 HIS HB3 1 33 ILE MG . . 4.260 3.053 2.939 3.359 . 0 0 "[ . 1 . 2]" 4
286 1 33 ILE H 1 33 ILE MD . . 4.060 3.684 3.467 3.763 . 0 0 "[ . 1 . 2]" 4
287 1 33 ILE MD 1 38 HIS HE1 . . 5.330 5.256 5.188 5.330 . 0 0 "[ . 1 . 2]" 4
288 1 33 ILE MD 1 34 PHE QE . . 4.120 2.857 2.608 3.175 . 0 0 "[ . 1 . 2]" 4
289 1 33 ILE HA 1 33 ILE MD . . 4.280 4.167 4.156 4.182 . 0 0 "[ . 1 . 2]" 4
290 1 27 LEU MD2 1 32 HIS HA . . 4.430 3.510 3.389 3.793 . 0 0 "[ . 1 . 2]" 4
291 1 29 ILE MD 1 32 HIS HB3 . . 4.550 3.493 3.122 3.787 . 0 0 "[ . 1 . 2]" 4
292 1 27 LEU MD1 1 32 HIS HB3 . . 4.720 4.610 4.458 4.715 . 0 0 "[ . 1 . 2]" 4
293 1 32 HIS HB3 1 32 HIS HD2 . . 3.720 2.700 2.693 2.714 . 0 0 "[ . 1 . 2]" 4
294 1 27 LEU HG 1 32 HIS HB2 . . 4.230 3.335 3.147 3.541 . 0 0 "[ . 1 . 2]" 4
295 1 23 TYR QD 1 32 HIS HB2 . . 4.020 3.121 2.957 3.282 . 0 0 "[ . 1 . 2]" 4
296 1 32 HIS HB2 1 33 ILE H . . 3.970 3.585 3.560 3.676 . 0 0 "[ . 1 . 2]" 4
297 1 32 HIS HD2 1 33 ILE MG . . 3.510 2.541 2.217 2.750 . 0 0 "[ . 1 . 2]" 4
298 1 29 ILE MD 1 32 HIS HD2 . . 4.410 3.235 2.850 3.531 . 0 0 "[ . 1 . 2]" 4
299 1 23 TYR QE 1 32 HIS HD2 . . 3.680 2.906 2.747 3.192 . 0 0 "[ . 1 . 2]" 4
300 1 31 ASP HB3 1 32 HIS H . . 3.960 3.665 3.527 3.894 . 0 0 "[ . 1 . 2]" 4
301 1 28 SER H 1 31 ASP HB3 . . 4.130 3.703 3.563 3.866 . 0 0 "[ . 1 . 2]" 4
302 1 30 ARG HA 1 33 ILE MD . . 3.590 2.230 2.050 2.438 . 0 0 "[ . 1 . 2]" 4
303 1 29 ILE MG 1 30 ARG HA . . 3.760 3.349 3.152 3.591 . 0 0 "[ . 1 . 2]" 4
304 1 30 ARG HA 1 33 ILE HG13 . . 3.940 3.159 2.991 3.436 . 0 0 "[ . 1 . 2]" 4
305 1 30 ARG HA 1 33 ILE HG12 . . 3.940 2.000 1.981 2.025 . 0 0 "[ . 1 . 2]" 4
306 1 30 ARG HA 1 30 ARG HG2 . . 3.660 2.663 2.243 3.592 . 0 0 "[ . 1 . 2]" 4
307 1 30 ARG HA 1 30 ARG QD . . 4.150 3.570 2.085 4.105 . 0 0 "[ . 1 . 2]" 4
308 1 30 ARG HA 1 34 PHE QE . . 4.630 3.535 3.289 3.886 . 0 0 "[ . 1 . 2]" 4
309 1 30 ARG HA 1 34 PHE QD . . 4.270 2.722 2.446 2.957 . 0 0 "[ . 1 . 2]" 4
310 1 30 ARG HA 1 33 ILE H . . 4.000 3.728 3.498 3.831 . 0 0 "[ . 1 . 2]" 4
311 1 29 ILE MG 1 30 ARG HB3 . . 5.120 4.518 4.407 4.670 . 0 0 "[ . 1 . 2]" 4
312 1 30 ARG HB3 1 30 ARG QD . . 3.710 2.527 2.066 3.290 . 0 0 "[ . 1 . 2]" 4
313 1 30 ARG HB3 1 31 ASP H . . 3.240 2.772 2.493 2.989 . 0 0 "[ . 1 . 2]" 4
314 1 30 ARG HB2 1 30 ARG QD . . 3.770 2.558 2.092 3.284 . 0 0 "[ . 1 . 2]" 4
315 1 30 ARG HB2 1 31 ASP H . . 3.730 2.315 2.096 2.483 . 0 0 "[ . 1 . 2]" 4
316 1 30 ARG HG2 1 34 PHE QE . . 4.730 2.902 2.001 4.468 . 0 0 "[ . 1 . 2]" 4
317 1 30 ARG H 1 30 ARG HG2 . . 4.170 3.738 2.694 4.138 . 0 0 "[ . 1 . 2]" 4
318 1 30 ARG HG3 1 34 PHE QE . . 4.730 3.994 2.398 4.705 . 0 0 "[ . 1 . 2]" 4
319 1 30 ARG H 1 30 ARG HG3 . . 4.170 3.024 2.538 3.890 . 0 0 "[ . 1 . 2]" 4
320 1 30 ARG HA 1 30 ARG HG3 . . 3.660 2.834 2.189 3.671 0.011 13 0 "[ . 1 . 2]" 4
321 1 29 ILE MG 1 30 ARG HG2 . . 4.340 3.691 2.412 4.341 0.001 18 0 "[ . 1 . 2]" 4
322 1 30 ARG QD 1 34 PHE QE . . 4.670 3.384 1.852 4.660 . 0 0 "[ . 1 . 2]" 4
323 1 30 ARG H 1 30 ARG QD . . 4.740 3.745 1.954 4.484 . 0 0 "[ . 1 . 2]" 4
324 1 30 ARG QD 1 31 ASP H . . 5.440 4.351 3.966 4.628 . 0 0 "[ . 1 . 2]" 4
325 1 29 ILE HA 1 33 ILE MG . . 4.310 3.862 3.657 4.073 . 0 0 "[ . 1 . 2]" 4
326 1 29 ILE HA 1 29 ILE MD . . 3.260 2.232 1.986 2.448 . 0 0 "[ . 1 . 2]" 4
327 1 29 ILE HA 1 32 HIS HB2 . . 4.170 3.776 3.650 3.966 . 0 0 "[ . 1 . 2]" 4
328 1 29 ILE HA 1 32 HIS HB3 . . 3.570 2.946 2.720 3.114 . 0 0 "[ . 1 . 2]" 4
329 1 28 SER HA 1 29 ILE HA . . 4.450 4.297 4.293 4.306 . 0 0 "[ . 1 . 2]" 4
330 1 23 TYR QE 1 29 ILE HA . . 3.760 2.737 2.073 3.176 . 0 0 "[ . 1 . 2]" 4
331 1 23 TYR QD 1 29 ILE HA . . 4.120 3.496 2.905 3.722 . 0 0 "[ . 1 . 2]" 4
332 1 29 ILE HA 1 33 ILE H . . 4.510 4.098 3.842 4.266 . 0 0 "[ . 1 . 2]" 4
333 1 29 ILE HB 1 29 ILE MD . . 3.350 2.283 2.158 2.436 . 0 0 "[ . 1 . 2]" 4
334 1 28 SER HA 1 29 ILE HB . . 4.900 4.746 4.679 4.860 . 0 0 "[ . 1 . 2]" 4
335 1 29 ILE HB 1 30 ARG H . . 4.100 3.945 3.861 4.097 . 0 0 "[ . 1 . 2]" 4
336 1 29 ILE HA 1 29 ILE HG12 . . 3.810 3.782 3.746 3.812 0.002 6 0 "[ . 1 . 2]" 4
337 1 29 ILE H 1 29 ILE HG12 . . 4.700 4.685 4.647 4.711 0.011 20 0 "[ . 1 . 2]" 4
338 1 29 ILE HG13 1 33 ILE MG . . 4.170 2.488 2.177 2.869 . 0 0 "[ . 1 . 2]" 4
339 1 29 ILE HG13 1 33 ILE MD . . 4.470 2.878 2.259 3.285 . 0 0 "[ . 1 . 2]" 4
340 1 29 ILE HA 1 29 ILE HG13 . . 3.810 2.951 2.858 3.164 . 0 0 "[ . 1 . 2]" 4
341 1 29 ILE MG 1 33 ILE MD . . 3.750 3.609 3.295 3.754 0.004 18 0 "[ . 1 . 2]" 4
342 1 29 ILE MG 1 30 ARG HG3 . . 4.340 2.915 2.389 4.002 . 0 0 "[ . 1 . 2]" 4
343 1 29 ILE HA 1 29 ILE MG . . 3.390 3.192 3.175 3.201 . 0 0 "[ . 1 . 2]" 4
344 1 28 SER HB2 1 29 ILE MG . . 4.580 4.197 3.873 4.449 . 0 0 "[ . 1 . 2]" 4
345 1 28 SER HA 1 29 ILE MG . . 4.290 3.949 3.811 4.176 . 0 0 "[ . 1 . 2]" 4
346 1 29 ILE MG 1 30 ARG H . . 3.220 1.952 1.859 2.053 . 0 0 "[ . 1 . 2]" 4
347 1 29 ILE MD 1 33 ILE MG . . 3.630 2.394 1.924 2.788 . 0 0 "[ . 1 . 2]" 4
348 1 29 ILE H 1 29 ILE MD . . 4.340 4.066 3.972 4.223 . 0 0 "[ . 1 . 2]" 4
349 1 28 SER HB3 1 29 ILE H . . 3.450 2.656 2.267 2.933 . 0 0 "[ . 1 . 2]" 4
350 1 28 SER HB3 1 30 ARG H . . 3.580 2.913 2.595 3.148 . 0 0 "[ . 1 . 2]" 4
351 1 28 SER HB3 1 29 ILE HB . . 5.180 4.985 4.777 5.178 . 0 0 "[ . 1 . 2]" 4
352 1 28 SER HB3 1 29 ILE MG . . 4.200 3.027 2.833 3.201 . 0 0 "[ . 1 . 2]" 4
353 1 28 SER HB2 1 30 ARG H . . 4.450 3.372 2.963 3.715 . 0 0 "[ . 1 . 2]" 4
354 1 28 SER HB2 1 31 ASP H . . 4.600 2.827 2.601 3.172 . 0 0 "[ . 1 . 2]" 4
355 1 28 SER HB2 1 29 ILE H . . 3.910 3.801 3.481 3.910 . 13 0 "[ . 1 . 2]" 4
356 1 28 SER H 1 28 SER HB2 . . 3.610 2.746 2.573 2.860 . 0 0 "[ . 1 . 2]" 4
357 1 26 ARG QG 1 27 LEU HA . . 5.070 3.673 3.319 4.765 . 0 0 "[ . 1 . 2]" 4
358 1 23 TYR HA 1 27 LEU HB3 . . 4.410 3.108 2.801 3.302 . 0 0 "[ . 1 . 2]" 4
359 1 24 SER H 1 27 LEU HB3 . . 4.300 1.963 1.893 2.248 . 0 0 "[ . 1 . 2]" 4
360 1 27 LEU H 1 27 LEU HB2 . . 3.860 2.365 2.314 2.449 . 0 0 "[ . 1 . 2]" 4
361 1 24 SER H 1 27 LEU HB2 . . 4.390 2.811 2.573 3.043 . 0 0 "[ . 1 . 2]" 4
362 1 27 LEU HG 1 32 HIS HA . . 4.870 4.692 4.509 4.872 0.002 18 0 "[ . 1 . 2]" 4
363 1 27 LEU HA 1 27 LEU HG . . 3.920 3.117 3.042 3.164 . 0 0 "[ . 1 . 2]" 4
364 1 27 LEU HG 1 28 SER H . . 4.560 2.112 1.901 2.539 . 0 0 "[ . 1 . 2]" 4
365 1 27 LEU MD1 1 28 SER H . . 3.960 2.032 1.870 2.317 . 0 0 "[ . 1 . 2]" 4
366 1 27 LEU MD1 1 32 HIS H . . 4.450 3.298 3.071 3.556 . 0 0 "[ . 1 . 2]" 4
367 1 27 LEU H 1 27 LEU MD1 . . 4.620 3.887 3.723 4.026 . 0 0 "[ . 1 . 2]" 4
368 1 27 LEU MD1 1 31 ASP H . . 4.960 4.035 3.873 4.248 . 0 0 "[ . 1 . 2]" 4
369 1 23 TYR QD 1 27 LEU MD1 . . 4.550 4.546 4.507 4.564 0.014 15 0 "[ . 1 . 2]" 4
370 1 27 LEU HA 1 27 LEU MD1 . . 3.140 1.992 1.962 2.069 . 0 0 "[ . 1 . 2]" 4
371 1 27 LEU MD1 1 32 HIS HA . . 3.840 3.444 3.194 3.662 . 0 0 "[ . 1 . 2]" 4
372 1 27 LEU MD1 1 32 HIS HB2 . . 3.900 3.498 3.339 3.641 . 0 0 "[ . 1 . 2]" 4
373 1 27 LEU MD1 1 31 ASP HB2 . . 3.760 1.918 1.773 2.108 . 0 0 "[ . 1 . 2]" 4
374 1 27 LEU MD1 1 31 ASP HB3 . . 3.760 2.114 1.956 2.323 . 0 0 "[ . 1 . 2]" 4
375 1 27 LEU HB3 1 27 LEU MD1 . . 3.630 3.192 3.179 3.196 . 0 0 "[ . 1 . 2]" 4
376 1 27 LEU HB2 1 27 LEU MD1 . . 3.320 2.371 2.333 2.405 . 0 0 "[ . 1 . 2]" 4
377 1 21 VAL MG1 1 27 LEU MD2 . . 3.920 3.343 3.122 3.533 . 0 0 "[ . 1 . 2]" 4
378 1 27 LEU HB2 1 27 LEU MD2 . . 3.380 2.406 2.360 2.436 . 0 0 "[ . 1 . 2]" 4
379 1 27 LEU HB3 1 27 LEU MD2 . . 3.240 2.254 2.222 2.336 . 0 0 "[ . 1 . 2]" 4
380 1 27 LEU MD2 1 32 HIS HB2 . . 3.770 2.512 2.384 2.585 . 0 0 "[ . 1 . 2]" 4
381 1 27 LEU HA 1 27 LEU MD2 . . 3.920 3.857 3.842 3.871 . 0 0 "[ . 1 . 2]" 4
382 1 24 SER H 1 27 LEU MD2 . . 4.520 2.505 2.252 2.740 . 0 0 "[ . 1 . 2]" 4
383 1 27 LEU H 1 27 LEU MD2 . . 4.670 4.227 4.193 4.259 . 0 0 "[ . 1 . 2]" 4
384 1 27 LEU MD2 1 32 HIS H . . 4.830 4.115 3.931 4.368 . 0 0 "[ . 1 . 2]" 4
385 1 23 TYR HA 1 27 LEU MD2 . . 4.010 2.017 1.955 2.150 . 0 0 "[ . 1 . 2]" 4
386 1 27 LEU MD2 1 32 HIS HB3 . . 4.120 4.095 3.975 4.128 0.008 18 0 "[ . 1 . 2]" 4
387 1 27 LEU MD2 1 31 ASP HB3 . . 4.580 4.368 4.133 4.576 . 0 0 "[ . 1 . 2]" 4
388 1 27 LEU MD2 1 31 ASP HB2 . . 4.580 4.146 3.855 4.479 . 0 0 "[ . 1 . 2]" 4
389 1 54 LYS HA 1 54 LYS QG . . 3.990 2.714 2.179 3.417 . 0 0 "[ . 1 . 2]" 4
390 1 26 ARG HA 1 26 ARG QD . . 4.460 3.673 2.018 4.264 . 0 0 "[ . 1 . 2]" 4
391 1 52 ARG HA 1 52 ARG QD . . 4.850 3.460 2.085 4.487 . 0 0 "[ . 1 . 2]" 4
392 1 26 ARG HB2 1 26 ARG QD . . 3.790 2.549 2.142 3.267 . 0 0 "[ . 1 . 2]" 4
393 1 26 ARG HB3 1 26 ARG QD . . 3.790 2.661 2.115 3.473 . 0 0 "[ . 1 . 2]" 4
394 1 14 PRO QD 1 25 ALA MB . . 5.500 5.499 5.486 5.515 0.015 20 0 "[ . 1 . 2]" 4
395 1 25 ALA MB 1 26 ARG HA . . 4.320 3.849 3.733 3.978 . 0 0 "[ . 1 . 2]" 4
396 1 23 TYR HB3 1 27 LEU HA . . 4.990 4.566 4.366 4.725 . 0 0 "[ . 1 . 2]" 4
397 1 23 TYR HB3 1 28 SER HA . . 5.230 4.044 3.642 4.386 . 0 0 "[ . 1 . 2]" 4
398 1 23 TYR H 1 23 TYR HB3 . . 3.800 3.527 3.506 3.539 . 0 0 "[ . 1 . 2]" 4
399 1 23 TYR HB3 1 24 SER H . . 4.170 2.842 2.554 3.306 . 0 0 "[ . 1 . 2]" 4
400 1 22 LYS HA 1 23 TYR HB2 . . 5.140 4.912 4.858 4.980 . 0 0 "[ . 1 . 2]" 4
401 1 14 PRO HA 1 23 TYR HB2 . . 4.800 4.449 4.186 4.720 . 0 0 "[ . 1 . 2]" 4
402 1 23 TYR HB2 1 28 SER HA . . 5.060 4.231 3.807 4.525 . 0 0 "[ . 1 . 2]" 4
403 1 23 TYR HB2 1 24 SER H . . 4.360 3.503 3.127 3.887 . 0 0 "[ . 1 . 2]" 4
404 1 21 VAL MG1 1 23 TYR QD . . 3.850 2.721 2.367 2.955 . 0 0 "[ . 1 . 2]" 4
405 1 23 TYR QD 1 29 ILE MD . . 4.030 3.915 3.768 4.014 . 0 0 "[ . 1 . 2]" 4
406 1 23 TYR QD 1 27 LEU MD2 . . 3.680 2.319 2.167 2.438 . 0 0 "[ . 1 . 2]" 4
407 1 23 TYR QD 1 29 ILE HB . . 4.070 3.935 3.611 4.073 0.003 15 0 "[ . 1 . 2]" 4
408 1 23 TYR QD 1 27 LEU HB2 . . 5.340 5.245 5.115 5.340 . 3 0 "[ . 1 . 2]" 4
409 1 23 TYR QD 1 27 LEU HG . . 3.880 3.742 3.605 3.828 . 0 0 "[ . 1 . 2]" 4
410 1 23 TYR QD 1 27 LEU HB3 . . 4.530 4.218 4.057 4.334 . 0 0 "[ . 1 . 2]" 4
411 1 14 PRO HB3 1 23 TYR QD . . 4.260 3.041 2.862 3.245 . 0 0 "[ . 1 . 2]" 4
412 1 23 TYR QD 1 32 HIS HB3 . . 4.300 4.234 4.092 4.314 0.014 20 0 "[ . 1 . 2]" 4
413 1 15 GLU HA 1 23 TYR QD . . 4.100 3.518 3.315 3.928 . 0 0 "[ . 1 . 2]" 4
414 1 22 LYS HA 1 23 TYR QD . . 4.480 4.225 4.087 4.312 . 0 0 "[ . 1 . 2]" 4
415 1 14 PRO HA 1 23 TYR QD . . 3.480 2.964 2.511 3.334 . 0 0 "[ . 1 . 2]" 4
416 1 23 TYR HA 1 23 TYR QD . . 2.960 2.423 2.325 2.522 . 0 0 "[ . 1 . 2]" 4
417 1 23 TYR H 1 23 TYR QD . . 3.660 2.705 2.558 2.826 . 0 0 "[ . 1 . 2]" 4
418 1 15 GLU H 1 23 TYR QD . . 4.210 3.674 3.125 4.201 . 0 0 "[ . 1 . 2]" 4
419 1 23 TYR QD 1 29 ILE H . . 4.340 3.751 3.253 4.257 . 0 0 "[ . 1 . 2]" 4
420 1 23 TYR QD 1 24 SER H . . 4.600 4.345 4.286 4.442 . 0 0 "[ . 1 . 2]" 4
421 1 21 VAL MG1 1 23 TYR QE . . 3.640 3.242 2.850 3.602 . 0 0 "[ . 1 . 2]" 4
422 1 23 TYR QE 1 29 ILE MD . . 3.430 2.024 1.964 2.240 . 0 0 "[ . 1 . 2]" 4
423 1 23 TYR QE 1 27 LEU MD2 . . 4.380 3.874 3.709 4.020 . 0 0 "[ . 1 . 2]" 4
424 1 23 TYR QE 1 29 ILE HB . . 3.750 2.895 2.578 3.198 . 0 0 "[ . 1 . 2]" 4
425 1 23 TYR QE 1 27 LEU HG . . 5.360 5.138 5.022 5.253 . 0 0 "[ . 1 . 2]" 4
426 1 16 CYS HB3 1 23 TYR QE . . 4.150 3.530 3.390 3.766 . 0 0 "[ . 1 . 2]" 4
427 1 23 TYR QE 1 32 HIS HB2 . . 3.460 3.055 2.864 3.299 . 0 0 "[ . 1 . 2]" 4
428 1 16 CYS HB2 1 23 TYR QE . . 3.450 2.195 1.997 2.461 . 0 0 "[ . 1 . 2]" 4
429 1 23 TYR QE 1 32 HIS HB3 . . 3.540 3.337 3.175 3.480 . 0 0 "[ . 1 . 2]" 4
430 1 15 GLU HA 1 23 TYR QE . . 4.340 3.771 3.596 4.073 . 0 0 "[ . 1 . 2]" 4
431 1 22 LYS HA 1 23 TYR QE . . 4.890 4.837 4.697 4.906 0.016 15 0 "[ . 1 . 2]" 4
432 1 23 TYR QE 1 32 HIS HA . . 5.150 4.817 4.661 5.079 . 0 0 "[ . 1 . 2]" 4
433 1 14 PRO HA 1 23 TYR QE . . 4.110 3.671 3.336 4.088 . 0 0 "[ . 1 . 2]" 4
434 1 23 TYR HA 1 23 TYR QE . . 4.910 4.703 4.634 4.764 . 0 0 "[ . 1 . 2]" 4
435 1 23 TYR H 1 23 TYR QE . . 4.450 3.864 3.767 3.939 . 0 0 "[ . 1 . 2]" 4
436 1 15 GLU H 1 23 TYR QE . . 4.040 3.442 2.771 3.991 . 0 0 "[ . 1 . 2]" 4
437 1 16 CYS H 1 23 TYR QE . . 4.610 4.023 3.704 4.300 . 0 0 "[ . 1 . 2]" 4
438 1 23 TYR QE 1 29 ILE H . . 4.970 4.187 3.798 4.670 . 0 0 "[ . 1 . 2]" 4
439 1 22 LYS HA 1 23 TYR H . . 2.930 2.166 2.146 2.181 . 0 0 "[ . 1 . 2]" 4
440 1 22 LYS HB2 1 23 TYR H . . 4.690 4.474 4.321 4.600 . 0 0 "[ . 1 . 2]" 4
441 1 22 LYS H 1 22 LYS HB2 . . 3.540 2.621 2.348 2.975 . 0 0 "[ . 1 . 2]" 4
442 1 22 LYS HB3 1 23 TYR H . . 4.690 4.360 4.237 4.507 . 0 0 "[ . 1 . 2]" 4
443 1 22 LYS QE 1 22 LYS HG3 . . 3.900 2.590 2.104 3.280 . 0 0 "[ . 1 . 2]" 4
444 1 22 LYS H 1 22 LYS HG2 . . 4.830 4.435 4.314 4.577 . 0 0 "[ . 1 . 2]" 4
445 1 22 LYS H 1 22 LYS HG3 . . 4.830 4.539 4.236 4.688 . 0 0 "[ . 1 . 2]" 4
446 1 22 LYS HA 1 22 LYS QD . . 4.190 3.763 2.271 4.200 0.010 18 0 "[ . 1 . 2]" 4
447 1 22 LYS H 1 22 LYS QD . . 4.820 4.457 4.244 4.660 . 0 0 "[ . 1 . 2]" 4
448 1 22 LYS QE 1 22 LYS HG2 . . 3.900 2.785 2.101 3.487 . 0 0 "[ . 1 . 2]" 4
449 1 21 VAL HA 1 22 LYS H . . 2.650 2.172 2.140 2.296 . 0 0 "[ . 1 . 2]" 4
450 1 20 GLY HA3 1 21 VAL HA . . 4.610 4.506 4.486 4.517 . 0 0 "[ . 1 . 2]" 4
451 1 21 VAL HA 1 22 LYS HB2 . . 5.060 4.583 4.266 4.857 . 0 0 "[ . 1 . 2]" 4
452 1 21 VAL HA 1 22 LYS HB3 . . 5.060 4.693 4.433 4.970 . 0 0 "[ . 1 . 2]" 4
453 1 21 VAL HB 1 27 LEU MD2 . . 5.430 5.145 4.970 5.303 . 0 0 "[ . 1 . 2]" 4
454 1 16 CYS HB3 1 21 VAL HB . . 3.710 2.900 2.694 3.045 . 0 0 "[ . 1 . 2]" 4
455 1 21 VAL H 1 21 VAL HB . . 3.570 2.585 2.542 2.685 . 0 0 "[ . 1 . 2]" 4
456 1 21 VAL HB 1 32 HIS HE1 . . 4.320 2.615 2.357 2.870 . 0 0 "[ . 1 . 2]" 4
457 1 16 CYS H 1 21 VAL HB . . 4.690 4.184 3.956 4.335 . 0 0 "[ . 1 . 2]" 4
458 1 16 CYS HB3 1 21 VAL MG1 . . 4.670 4.380 4.215 4.507 . 0 0 "[ . 1 . 2]" 4
459 1 19 CYS HB2 1 21 VAL MG1 . . 4.580 4.330 4.279 4.443 . 0 0 "[ . 1 . 2]" 4
460 1 15 GLU HA 1 21 VAL MG1 . . 5.230 4.950 4.758 5.119 . 0 0 "[ . 1 . 2]" 4
461 1 21 VAL HA 1 21 VAL MG1 . . 3.170 2.314 2.184 2.460 . 0 0 "[ . 1 . 2]" 4
462 1 21 VAL H 1 21 VAL MG1 . . 4.070 3.827 3.806 3.858 . 0 0 "[ . 1 . 2]" 4
463 1 21 VAL MG1 1 32 HIS HE1 . . 4.120 2.850 2.524 3.065 . 0 0 "[ . 1 . 2]" 4
464 1 21 VAL MG1 1 22 LYS H . . 3.500 2.946 2.610 3.490 . 0 0 "[ . 1 . 2]" 4
465 1 19 CYS HB3 1 21 VAL MG2 . . 3.270 2.479 2.368 2.612 . 0 0 "[ . 1 . 2]" 4
466 1 20 GLY HA3 1 21 VAL MG2 . . 4.490 4.081 3.978 4.160 . 0 0 "[ . 1 . 2]" 4
467 1 21 VAL HA 1 21 VAL MG2 . . 3.160 2.316 2.259 2.413 . 0 0 "[ . 1 . 2]" 4
468 1 21 VAL MG2 1 23 TYR QE . . 4.690 4.495 4.178 4.668 . 0 0 "[ . 1 . 2]" 4
469 1 21 VAL MG2 1 23 TYR QD . . 5.270 5.082 4.930 5.219 . 0 0 "[ . 1 . 2]" 4
470 1 21 VAL H 1 21 VAL MG2 . . 3.390 2.629 2.469 2.774 . 0 0 "[ . 1 . 2]" 4
471 1 21 VAL MG2 1 32 HIS HE1 . . 3.500 2.518 2.096 2.770 . 0 0 "[ . 1 . 2]" 4
472 1 21 VAL MG2 1 22 LYS H . . 4.340 4.166 4.075 4.269 . 0 0 "[ . 1 . 2]" 4
473 1 19 CYS H 1 20 GLY HA3 . . 4.940 4.937 4.890 4.953 0.013 20 0 "[ . 1 . 2]" 4
474 1 19 CYS H 1 20 GLY HA2 . . 4.700 4.476 4.394 4.511 . 0 0 "[ . 1 . 2]" 4
475 1 19 CYS HA 1 21 VAL MG2 . . 4.310 3.898 3.804 4.036 . 0 0 "[ . 1 . 2]" 4
476 1 18 LEU HB3 1 19 CYS HA . . 5.460 4.768 4.714 4.845 . 0 0 "[ . 1 . 2]" 4
477 1 19 CYS HA 1 41 LYS HB3 . . 5.500 4.447 3.926 4.737 . 0 0 "[ . 1 . 2]" 4
478 1 19 CYS HA 1 41 LYS HB2 . . 4.310 4.049 3.409 4.310 0.000 3 0 "[ . 1 . 2]" 4
479 1 19 CYS HB2 1 21 VAL MG2 . . 3.280 2.118 2.033 2.296 . 0 0 "[ . 1 . 2]" 4
480 1 19 CYS HB2 1 21 VAL HB . . 4.300 2.932 2.850 3.137 . 0 0 "[ . 1 . 2]" 4
481 1 18 LEU HB3 1 19 CYS HB2 . . 4.880 4.859 4.775 4.881 0.001 3 0 "[ . 1 . 2]" 4
482 1 19 CYS HB2 1 21 VAL H . . 4.070 2.826 2.665 2.951 . 0 0 "[ . 1 . 2]" 4
483 1 19 CYS HB2 1 20 GLY H . . 3.870 3.691 3.605 3.778 . 0 0 "[ . 1 . 2]" 4
484 1 19 CYS HB2 1 32 HIS HE1 . . 4.100 3.235 3.071 3.417 . 0 0 "[ . 1 . 2]" 4
485 1 19 CYS H 1 19 CYS HB2 . . 3.530 2.737 2.653 2.784 . 0 0 "[ . 1 . 2]" 4
486 1 19 CYS H 1 19 CYS HB3 . . 3.830 3.710 3.698 3.745 . 0 0 "[ . 1 . 2]" 4
487 1 19 CYS HB3 1 32 HIS HE1 . . 4.010 3.846 3.639 4.012 0.002 17 0 "[ . 1 . 2]" 4
488 1 19 CYS HB3 1 21 VAL H . . 4.280 4.149 4.009 4.266 . 0 0 "[ . 1 . 2]" 4
489 1 19 CYS HB3 1 41 LYS HB3 . . 4.920 4.313 3.915 4.666 . 0 0 "[ . 1 . 2]" 4
490 1 19 CYS HB3 1 21 VAL HB . . 4.440 4.240 4.044 4.360 . 0 0 "[ . 1 . 2]" 4
491 1 18 LEU HA 1 18 LEU MD2 . . 4.140 4.000 3.970 4.017 . 0 0 "[ . 1 . 2]" 4
492 1 18 LEU HA 1 18 LEU HG . . 3.650 3.242 3.140 3.324 . 0 0 "[ . 1 . 2]" 4
493 1 18 LEU HB2 1 18 LEU MD2 . . 3.490 2.522 2.412 2.627 . 0 0 "[ . 1 . 2]" 4
494 1 18 LEU HB3 1 18 LEU MD2 . . 3.490 2.137 2.055 2.238 . 0 0 "[ . 1 . 2]" 4
495 1 18 LEU HB2 1 18 LEU MD1 . . 3.560 2.185 2.100 2.318 . 0 0 "[ . 1 . 2]" 4
496 1 18 LEU HB3 1 18 LEU MD1 . . 3.600 3.165 3.148 3.183 . 0 0 "[ . 1 . 2]" 4
497 1 18 LEU H 1 18 LEU HB2 . . 3.240 2.905 2.795 3.007 . 0 0 "[ . 1 . 2]" 4
498 1 18 LEU HB2 1 19 CYS H . . 4.180 3.965 3.920 4.058 . 0 0 "[ . 1 . 2]" 4
499 1 18 LEU HG 1 19 CYS HB2 . . 5.060 4.699 4.575 4.850 . 0 0 "[ . 1 . 2]" 4
500 1 18 LEU H 1 18 LEU HG . . 4.420 4.228 4.178 4.302 . 0 0 "[ . 1 . 2]" 4
501 1 18 LEU HG 1 19 CYS H . . 4.220 3.215 3.100 3.364 . 0 0 "[ . 1 . 2]" 4
502 1 18 LEU MD2 1 42 VAL H . . 4.200 3.862 3.603 4.134 . 0 0 "[ . 1 . 2]" 4
503 1 18 LEU MD2 1 38 HIS HE1 . . 3.700 2.602 2.225 2.946 . 0 0 "[ . 1 . 2]" 4
504 1 18 LEU MD2 1 19 CYS HA . . 5.440 4.674 4.499 4.838 . 0 0 "[ . 1 . 2]" 4
505 1 18 LEU MD2 1 41 LYS HA . . 5.500 4.976 4.813 5.166 . 0 0 "[ . 1 . 2]" 4
506 1 18 LEU MD2 1 42 VAL HA . . 3.450 3.165 2.894 3.433 . 0 0 "[ . 1 . 2]" 4
507 1 18 LEU MD2 1 41 LYS HB2 . . 4.300 4.231 3.939 4.300 . 0 0 "[ . 1 . 2]" 4
508 1 18 LEU MD1 1 19 CYS H . . 4.550 4.340 4.248 4.431 . 0 0 "[ . 1 . 2]" 4
509 1 18 LEU H 1 18 LEU MD1 . . 4.430 4.318 4.269 4.384 . 0 0 "[ . 1 . 2]" 4
510 1 18 LEU HA 1 18 LEU MD1 . . 3.110 2.459 2.236 2.608 . 0 0 "[ . 1 . 2]" 4
511 1 18 LEU MD1 1 19 CYS HA . . 4.960 4.373 4.153 4.634 . 0 0 "[ . 1 . 2]" 4
512 1 18 LEU MD1 1 41 LYS HA . . 5.420 4.738 4.412 5.024 . 0 0 "[ . 1 . 2]" 4
513 1 18 LEU MD1 1 42 VAL HA . . 3.950 3.775 3.445 3.951 0.001 20 0 "[ . 1 . 2]" 4
514 1 17 THR HA 1 17 THR MG . . 3.320 3.201 3.189 3.206 . 0 0 "[ . 1 . 2]" 4
515 1 15 GLU HG3 1 17 THR HA . . 4.250 3.747 3.508 4.029 . 0 0 "[ . 1 . 2]" 4
516 1 17 THR HA 1 19 CYS H . . 4.660 4.590 4.472 4.642 . 0 0 "[ . 1 . 2]" 4
517 1 17 THR HB 1 18 LEU H . . 4.350 4.222 4.102 4.334 . 0 0 "[ . 1 . 2]" 4
518 1 17 THR MG 1 18 LEU H . . 4.190 2.426 2.198 2.703 . 0 0 "[ . 1 . 2]" 4
519 1 15 GLU HG2 1 17 THR MG . . 4.810 4.710 4.463 4.811 0.001 13 0 "[ . 1 . 2]" 4
520 1 17 THR MG 1 18 LEU MD1 . . 4.870 4.540 4.413 4.685 . 0 0 "[ . 1 . 2]" 4
521 1 17 THR MG 1 18 LEU MD2 . . 5.040 4.830 4.712 4.903 . 0 0 "[ . 1 . 2]" 4
522 1 16 CYS HB2 1 21 VAL MG2 . . 4.760 4.482 4.386 4.562 . 0 0 "[ . 1 . 2]" 4
523 1 16 CYS HB2 1 21 VAL HB . . 4.070 3.228 3.079 3.361 . 0 0 "[ . 1 . 2]" 4
524 1 16 CYS HB2 1 19 CYS HB2 . . 4.160 3.911 3.711 4.047 . 0 0 "[ . 1 . 2]" 4
525 1 16 CYS HB2 1 32 HIS HD2 . . 3.490 3.436 3.161 3.502 0.012 18 0 "[ . 1 . 2]" 4
526 1 16 CYS HB2 1 21 VAL H . . 4.100 3.623 3.467 3.752 . 0 0 "[ . 1 . 2]" 4
527 1 16 CYS HB2 1 20 GLY H . . 5.360 5.141 5.066 5.252 . 0 0 "[ . 1 . 2]" 4
528 1 16 CYS HB2 1 32 HIS HE1 . . 5.500 4.474 4.261 4.733 . 0 0 "[ . 1 . 2]" 4
529 1 16 CYS H 1 16 CYS HB2 . . 3.420 2.772 2.578 2.850 . 0 0 "[ . 1 . 2]" 4
530 1 16 CYS HB2 1 19 CYS H . . 4.480 4.137 4.066 4.211 . 0 0 "[ . 1 . 2]" 4
531 1 16 CYS HB3 1 21 VAL MG2 . . 3.680 3.618 3.416 3.684 0.004 15 0 "[ . 1 . 2]" 4
532 1 16 CYS HB3 1 19 CYS HA . . 4.920 4.761 4.632 4.903 . 0 0 "[ . 1 . 2]" 4
533 1 16 CYS HB3 1 32 HIS HD2 . . 4.670 4.461 4.269 4.575 . 0 0 "[ . 1 . 2]" 4
534 1 15 GLU HA 1 16 CYS HB3 . . 5.080 5.025 4.973 5.066 . 0 0 "[ . 1 . 2]" 4
535 1 15 GLU HA 1 16 CYS HB2 . . 4.540 4.065 4.033 4.132 . 0 0 "[ . 1 . 2]" 4
536 1 15 GLU HA 1 22 LYS HA . . 3.000 2.004 1.993 2.066 . 0 0 "[ . 1 . 2]" 4
537 1 15 GLU HA 1 23 TYR H . . 3.300 2.031 1.897 2.426 . 0 0 "[ . 1 . 2]" 4
538 1 15 GLU HA 1 16 CYS H . . 2.880 2.477 2.373 2.585 . 0 0 "[ . 1 . 2]" 4
539 1 15 GLU HB2 1 22 LYS HA . . 3.590 2.234 1.999 2.726 . 0 0 "[ . 1 . 2]" 4
540 1 15 GLU HB2 1 23 TYR H . . 4.550 3.901 3.661 4.412 . 0 0 "[ . 1 . 2]" 4
541 1 15 GLU HB2 1 16 CYS H . . 4.020 2.408 2.225 2.570 . 0 0 "[ . 1 . 2]" 4
542 1 15 GLU HB3 1 22 LYS HA . . 3.590 2.959 2.688 3.421 . 0 0 "[ . 1 . 2]" 4
543 1 15 GLU HB3 1 23 TYR H . . 4.550 4.038 3.824 4.541 . 0 0 "[ . 1 . 2]" 4
544 1 15 GLU HB3 1 16 CYS H . . 4.020 3.827 3.702 3.933 . 0 0 "[ . 1 . 2]" 4
545 1 15 GLU HG3 1 17 THR MG . . 4.490 4.250 3.974 4.475 . 0 0 "[ . 1 . 2]" 4
546 1 14 PRO HB2 1 23 TYR QD . . 4.260 2.023 1.993 2.237 . 0 0 "[ . 1 . 2]" 4
547 1 14 PRO HB2 1 15 GLU H . . 4.610 4.127 4.088 4.132 . 0 0 "[ . 1 . 2]" 4
548 1 14 PRO HB3 1 15 GLU H . . 4.610 4.440 4.408 4.444 . 0 0 "[ . 1 . 2]" 4
549 1 13 LYS HG3 1 14 PRO QD . . 4.410 3.365 1.983 4.293 . 0 0 "[ . 1 . 2]" 4
550 1 13 LYS HG2 1 14 PRO QD . . 4.410 3.197 1.987 4.412 0.002 17 0 "[ . 1 . 2]" 4
551 1 13 LYS HD2 1 14 PRO QD . . 5.500 3.962 2.103 5.004 . 0 0 "[ . 1 . 2]" 4
552 1 13 LYS HD3 1 14 PRO QD . . 5.500 3.759 1.997 5.381 . 0 0 "[ . 1 . 2]" 4
553 1 13 LYS HB3 1 14 PRO QD . . 3.800 2.575 2.007 3.746 . 0 0 "[ . 1 . 2]" 4
554 1 14 PRO QD 1 25 ALA HA . . 4.960 4.855 4.722 4.932 . 0 0 "[ . 1 . 2]" 4
555 1 13 LYS HA 1 14 PRO QD . . 3.840 2.047 1.960 2.139 . 0 0 "[ . 1 . 2]" 4
556 1 13 LYS HB2 1 14 PRO QD . . 3.800 3.567 1.987 3.789 . 0 0 "[ . 1 . 2]" 4
557 1 12 THR HA 1 12 THR MG . . 3.190 2.508 2.152 3.191 0.001 4 0 "[ . 1 . 2]" 4
558 1 12 THR HA 1 13 LYS H . . 3.490 2.346 2.143 3.494 0.004 5 0 "[ . 1 . 2]" 4
559 1 12 THR HB 1 13 LYS H . . 4.590 3.769 2.332 4.570 . 0 0 "[ . 1 . 2]" 4
560 1 11 GLY QA 1 12 THR MG . . 4.240 3.656 3.309 4.084 . 0 0 "[ . 1 . 2]" 4
561 1 9 THR HA 1 9 THR MG . . 3.620 2.541 2.225 3.206 . 0 0 "[ . 1 . 2]" 4
562 1 51 ASP H 1 51 ASP HB2 . . 4.210 3.021 2.187 3.848 . 0 0 "[ . 1 . 2]" 4
563 1 43 ARG HB3 1 44 GLU HA . . 4.450 4.379 4.224 4.450 0.000 3 0 "[ . 1 . 2]" 4
564 1 39 ILE MG 1 43 ARG HG2 . . 4.350 3.235 2.189 4.162 . 0 0 "[ . 1 . 2]" 4
565 1 43 ARG H 1 43 ARG HG2 . . 4.010 3.120 2.203 3.931 . 0 0 "[ . 1 . 2]" 4
566 1 43 ARG H 1 43 ARG HG3 . . 4.010 3.109 2.412 3.949 . 0 0 "[ . 1 . 2]" 4
567 1 41 LYS HA 1 42 VAL MG2 . . 4.880 4.853 4.791 4.881 0.001 13 0 "[ . 1 . 2]" 4
568 1 39 ILE MG 1 43 ARG HG3 . . 4.350 2.635 2.055 3.179 . 0 0 "[ . 1 . 2]" 4
569 1 38 HIS HA 1 42 VAL MG2 . . 4.420 4.104 3.847 4.210 . 0 0 "[ . 1 . 2]" 4
570 1 29 ILE HG12 1 33 ILE MG . . 4.170 3.658 3.334 3.891 . 0 0 "[ . 1 . 2]" 4
571 1 29 ILE HG12 1 33 ILE MD . . 4.470 3.861 3.531 4.152 . 0 0 "[ . 1 . 2]" 4
572 1 32 HIS HD2 1 33 ILE H . . 4.550 3.147 3.023 3.284 . 0 0 "[ . 1 . 2]" 4
573 1 29 ILE MG 1 30 ARG HB2 . . 4.040 3.503 3.365 3.661 . 0 0 "[ . 1 . 2]" 4
574 1 29 ILE H 1 29 ILE MG . . 3.360 2.085 1.929 2.186 . 0 0 "[ . 1 . 2]" 4
575 1 22 LYS HA 1 23 TYR HA . . 4.680 4.437 4.409 4.456 . 0 0 "[ . 1 . 2]" 4
576 1 15 GLU H 1 22 LYS HA . . 4.970 4.737 4.636 4.842 . 0 0 "[ . 1 . 2]" 4
577 1 19 CYS H 1 21 VAL MG2 . . 4.600 4.341 4.159 4.420 . 0 0 "[ . 1 . 2]" 4
578 1 33 ILE MG 1 38 HIS HE1 . . 4.440 2.651 2.459 2.924 . 0 0 "[ . 1 . 2]" 4
579 1 29 ILE MD 1 38 HIS HE1 . . 4.860 4.225 3.871 4.526 . 0 0 "[ . 1 . 2]" 4
580 1 18 LEU HB3 1 38 HIS HE1 . . 4.300 4.034 3.788 4.298 . 0 0 "[ . 1 . 2]" 4
581 1 33 ILE HB 1 34 PHE H . . 4.280 4.052 3.945 4.180 . 0 0 "[ . 1 . 2]" 4
582 1 36 LYS HA 1 40 SER H . . 4.110 3.604 3.270 3.787 . 0 0 "[ . 1 . 2]" 4
583 1 36 LYS HA 1 39 ILE HB . . 3.080 2.173 2.001 2.295 . 0 0 "[ . 1 . 2]" 4
584 1 36 LYS HA 1 38 HIS H . . 4.790 4.361 4.137 4.590 . 0 0 "[ . 1 . 2]" 4
585 1 37 GLN HA 1 40 SER QB . . 3.740 3.568 3.369 3.743 0.003 20 0 "[ . 1 . 2]" 4
586 1 42 VAL HA 1 46 VAL H . . 4.780 4.491 4.014 4.730 . 0 0 "[ . 1 . 2]" 4
587 1 43 ARG HA 1 46 VAL H . . 4.780 3.957 3.470 4.314 . 0 0 "[ . 1 . 2]" 4
588 1 32 HIS HA 1 33 ILE HA . . 4.880 4.804 4.783 4.835 . 0 0 "[ . 1 . 2]" 4
589 1 38 HIS HA 1 38 HIS HD2 . . 4.660 4.207 4.143 4.341 . 0 0 "[ . 1 . 2]" 4
590 1 38 HIS H 1 38 HIS HD2 . . 4.890 4.796 4.675 4.893 0.003 15 0 "[ . 1 . 2]" 4
591 1 24 SER HB3 1 27 LEU HB2 . . 4.730 3.997 3.062 4.733 0.003 17 0 "[ . 1 . 2]" 4
592 1 24 SER HB2 1 27 LEU HB2 . . 4.730 4.193 2.840 4.736 0.006 15 0 "[ . 1 . 2]" 4
593 1 14 PRO HG2 1 23 TYR QD . . 4.920 4.160 4.078 4.306 . 0 0 "[ . 1 . 2]" 4
594 1 14 PRO HG3 1 23 TYR QD . . 4.930 4.606 4.513 4.756 . 0 0 "[ . 1 . 2]" 4
595 1 14 PRO HG3 1 25 ALA HA . . 4.970 3.751 3.440 4.066 . 0 0 "[ . 1 . 2]" 4
596 1 21 VAL MG1 1 22 LYS HA . . 4.630 4.135 3.941 4.407 . 0 0 "[ . 1 . 2]" 4
597 1 16 CYS HB3 1 21 VAL HA . . 5.080 4.773 4.605 4.895 . 0 0 "[ . 1 . 2]" 4
598 1 20 GLY H 1 21 VAL HA . . 5.500 5.363 5.312 5.415 . 0 0 "[ . 1 . 2]" 4
599 1 21 VAL HA 1 32 HIS HE1 . . 5.500 5.284 4.879 5.500 0.000 15 0 "[ . 1 . 2]" 4
600 1 17 THR HA 1 21 VAL H . . 4.930 4.900 4.775 4.938 0.008 18 0 "[ . 1 . 2]" 4
601 1 17 THR HA 1 20 GLY HA2 . . 4.050 3.216 3.070 3.387 . 0 0 "[ . 1 . 2]" 4
602 1 16 CYS HB3 1 19 CYS HB2 . . 3.990 2.612 2.405 2.758 . 0 0 "[ . 1 . 2]" 4
603 1 13 LYS HA 1 13 LYS QG . . 3.620 2.423 2.144 3.334 . 0 0 "[ . 1 . 2]" 4
604 1 13 LYS QB 1 14 PRO QD . . 3.260 2.408 1.973 3.283 0.023 19 0 "[ . 1 . 2]" 4
605 1 13 LYS QB 1 15 GLU H . . 5.150 4.507 4.421 5.062 . 0 0 "[ . 1 . 2]" 4
606 1 13 LYS QG 1 14 PRO QD . . 3.650 2.785 1.809 3.572 . 0 0 "[ . 1 . 2]" 4
607 1 13 LYS QD 1 14 PRO QD . . 4.760 3.324 1.882 4.425 . 0 0 "[ . 1 . 2]" 4
608 1 14 PRO QB 1 15 GLU H . . 3.970 3.799 3.766 3.802 . 0 0 "[ . 1 . 2]" 4
609 1 14 PRO QB 1 23 TYR HB2 . . 4.470 2.060 1.988 2.325 . 0 0 "[ . 1 . 2]" 4
610 1 14 PRO QB 1 23 TYR QD . . 3.660 1.994 1.961 2.182 . 0 0 "[ . 1 . 2]" 4
611 1 15 GLU HA 1 22 LYS QG . . 4.330 3.292 2.967 4.254 . 0 0 "[ . 1 . 2]" 4
612 1 15 GLU QB 1 16 CYS H . . 3.300 2.384 2.208 2.538 . 0 0 "[ . 1 . 2]" 4
613 1 15 GLU QB 1 23 TYR H . . 3.930 3.531 3.357 3.930 . 0 0 "[ . 1 . 2]" 4
614 1 18 LEU HB2 1 41 LYS QG . . 5.170 4.726 4.504 4.988 . 0 0 "[ . 1 . 2]" 4
615 1 18 LEU HB3 1 41 LYS QG . . 4.570 4.325 4.051 4.570 . 10 0 "[ . 1 . 2]" 4
616 1 18 LEU MD1 1 41 LYS QG . . 4.210 2.457 2.080 2.811 . 0 0 "[ . 1 . 2]" 4
617 1 18 LEU MD1 1 41 LYS QE . . 4.130 3.472 2.829 4.130 0.000 15 0 "[ . 1 . 2]" 4
618 1 18 LEU MD2 1 41 LYS QG . . 4.010 3.027 2.746 3.244 . 0 0 "[ . 1 . 2]" 4
619 1 19 CYS HA 1 41 LYS QG . . 3.570 2.491 2.032 3.070 . 0 0 "[ . 1 . 2]" 4
620 1 19 CYS HA 1 41 LYS QD . . 3.900 2.975 2.123 3.892 . 0 0 "[ . 1 . 2]" 4
621 1 19 CYS HA 1 41 LYS QE . . 3.680 2.583 1.842 3.680 . 0 0 "[ . 1 . 2]" 4
622 1 21 VAL HA 1 22 LYS QB . . 4.230 4.117 4.033 4.197 . 0 0 "[ . 1 . 2]" 4
623 1 21 VAL MG1 1 22 LYS QB . . 4.810 4.303 4.152 4.546 . 0 0 "[ . 1 . 2]" 4
624 1 22 LYS H 1 22 LYS QB . . 3.030 2.286 2.214 2.354 . 0 0 "[ . 1 . 2]" 4
625 1 22 LYS HA 1 22 LYS QG . . 3.440 2.443 2.256 2.979 . 0 0 "[ . 1 . 2]" 4
626 1 22 LYS QB 1 23 TYR H . . 4.120 3.930 3.893 3.965 . 0 0 "[ . 1 . 2]" 4
627 1 22 LYS QE 1 22 LYS QG . . 3.210 2.226 2.050 2.635 . 0 0 "[ . 1 . 2]" 4
628 1 22 LYS QG 1 23 TYR H . . 4.640 3.338 3.097 3.852 . 0 0 "[ . 1 . 2]" 4
629 1 23 TYR HA 1 24 SER QB . . 4.680 4.237 4.036 4.551 . 0 0 "[ . 1 . 2]" 4
630 1 23 TYR QE 1 29 ILE QG . . 4.550 3.972 3.693 4.161 . 0 0 "[ . 1 . 2]" 4
631 1 24 SER H 1 24 SER QB . . 3.640 2.478 2.221 2.951 . 0 0 "[ . 1 . 2]" 4
632 1 24 SER QB 1 26 ARG QB . . 4.130 3.353 2.996 3.854 . 0 0 "[ . 1 . 2]" 4
633 1 24 SER QB 1 27 LEU H . . 4.290 2.953 2.460 3.720 . 0 0 "[ . 1 . 2]" 4
634 1 24 SER QB 1 27 LEU HB2 . . 4.150 3.482 2.812 4.137 . 0 0 "[ . 1 . 2]" 4
635 1 26 ARG QB 1 26 ARG QD . . 3.280 2.227 2.048 2.577 . 0 0 "[ . 1 . 2]" 4
636 1 26 ARG QB 1 27 LEU H . . 3.680 2.141 1.914 2.314 . 0 0 "[ . 1 . 2]" 4
637 1 27 LEU HA 1 31 ASP QB . . 4.020 3.542 3.323 3.699 . 0 0 "[ . 1 . 2]" 4
638 1 27 LEU HG 1 31 ASP QB . . 4.460 3.155 2.953 3.475 . 0 0 "[ . 1 . 2]" 4
639 1 28 SER H 1 31 ASP QB . . 3.540 2.209 2.064 2.338 . 0 0 "[ . 1 . 2]" 4
640 1 28 SER HB2 1 31 ASP QB . . 4.650 3.239 2.954 3.485 . 0 0 "[ . 1 . 2]" 4
641 1 29 ILE HA 1 29 ILE QG . . 3.240 2.851 2.777 3.018 . 0 0 "[ . 1 . 2]" 4
642 1 29 ILE QG 1 29 ILE MG . . 3.110 2.103 2.038 2.120 . 0 0 "[ . 1 . 2]" 4
643 1 29 ILE MG 1 30 ARG QG . . 3.810 2.654 2.365 3.692 . 0 0 "[ . 1 . 2]" 4
644 1 29 ILE QG 1 30 ARG H . . 4.530 3.505 3.357 3.736 . 0 0 "[ . 1 . 2]" 4
645 1 29 ILE QG 1 33 ILE MG . . 3.610 2.448 2.155 2.797 . 0 0 "[ . 1 . 2]" 4
646 1 29 ILE QG 1 33 ILE MD . . 3.870 2.799 2.235 3.164 . 0 0 "[ . 1 . 2]" 4
647 1 30 ARG H 1 30 ARG QG . . 3.610 2.799 2.474 3.544 . 0 0 "[ . 1 . 2]" 4
648 1 30 ARG HA 1 30 ARG QG . . 3.080 2.319 2.168 2.558 . 0 0 "[ . 1 . 2]" 4
649 1 30 ARG HA 1 33 ILE QG . . 3.180 1.979 1.964 2.011 . 0 0 "[ . 1 . 2]" 4
650 1 30 ARG HB3 1 33 ILE QG . . 5.340 3.966 3.910 4.054 . 0 0 "[ . 1 . 2]" 4
651 1 30 ARG QG 1 33 ILE MD . . 3.610 2.815 2.563 3.190 . 0 0 "[ . 1 . 2]" 4
652 1 30 ARG QG 1 34 PHE QD . . 4.240 3.550 3.160 4.243 0.003 13 0 "[ . 1 . 2]" 4
653 1 30 ARG QG 1 34 PHE QE . . 4.120 2.725 1.993 3.952 . 0 0 "[ . 1 . 2]" 4
654 1 31 ASP H 1 31 ASP QB . . 3.130 2.460 2.354 2.622 . 0 0 "[ . 1 . 2]" 4
655 1 31 ASP QB 1 32 HIS H . . 3.370 2.743 2.583 2.909 . 0 0 "[ . 1 . 2]" 4
656 1 31 ASP QB 1 32 HIS HA . . 4.650 3.926 3.885 3.989 . 0 0 "[ . 1 . 2]" 4
657 1 33 ILE H 1 33 ILE QG . . 3.150 2.260 2.124 2.405 . 0 0 "[ . 1 . 2]" 4
658 1 33 ILE HA 1 33 ILE QG . . 3.530 3.308 3.300 3.311 . 0 0 "[ . 1 . 2]" 4
659 1 33 ILE QG 1 34 PHE H . . 3.670 2.454 2.324 2.581 . 0 0 "[ . 1 . 2]" 4
660 1 33 ILE QG 1 34 PHE QD . . 3.910 2.350 1.965 2.801 . 0 0 "[ . 1 . 2]" 4
661 1 34 PHE H 1 34 PHE QB . . 3.020 2.210 2.177 2.256 . 0 0 "[ . 1 . 2]" 4
662 1 35 SER H 1 35 SER QB . . 3.040 2.630 2.589 2.670 . 0 0 "[ . 1 . 2]" 4
663 1 35 SER QB 1 36 LYS H . . 3.370 3.205 3.064 3.414 0.044 17 0 "[ . 1 . 2]" 4
664 1 35 SER QB 1 37 GLN H . . 4.340 2.942 2.625 3.448 . 0 0 "[ . 1 . 2]" 4
665 1 35 SER QB 1 38 HIS H . . 4.480 3.084 2.893 3.247 . 0 0 "[ . 1 . 2]" 4
666 1 36 LYS HA 1 39 ILE QG . . 3.880 2.843 2.009 3.711 . 0 0 "[ . 1 . 2]" 4
667 1 37 GLN QB 1 38 HIS H . . 3.320 2.496 2.208 3.330 0.010 17 0 "[ . 1 . 2]" 4
668 1 37 GLN QG 1 38 HIS H . . 4.240 3.695 1.883 4.241 0.001 3 0 "[ . 1 . 2]" 4
669 1 38 HIS H 1 39 ILE QG . . 5.340 4.421 3.730 5.298 . 0 0 "[ . 1 . 2]" 4
670 1 38 HIS HB3 1 39 ILE QG . . 4.390 3.886 3.628 4.287 . 0 0 "[ . 1 . 2]" 4
671 1 38 HIS HD2 1 39 ILE QG . . 3.840 3.472 2.948 3.845 0.005 17 0 "[ . 1 . 2]" 4
672 1 39 ILE H 1 39 ILE QG . . 3.190 2.349 1.891 2.942 . 0 0 "[ . 1 . 2]" 4
673 1 39 ILE HA 1 39 ILE QG . . 3.230 2.606 2.162 2.966 . 0 0 "[ . 1 . 2]" 4
674 1 39 ILE QG 1 40 SER H . . 5.030 4.043 3.787 4.382 . 0 0 "[ . 1 . 2]" 4
675 1 40 SER HA 1 43 ARG QG . . 4.010 3.416 2.975 3.865 . 0 0 "[ . 1 . 2]" 4
676 1 41 LYS H 1 41 LYS QG . . 4.120 4.041 4.021 4.060 . 0 0 "[ . 1 . 2]" 4
677 1 41 LYS H 1 41 LYS QD . . 4.570 3.740 3.578 3.977 . 0 0 "[ . 1 . 2]" 4
678 1 41 LYS HA 1 41 LYS QG . . 3.440 2.586 2.457 2.694 . 0 0 "[ . 1 . 2]" 4
679 1 41 LYS HA 1 41 LYS QD . . 3.310 2.122 1.992 2.326 . 0 0 "[ . 1 . 2]" 4
680 1 41 LYS HA 1 41 LYS QE . . 4.260 3.764 3.307 4.190 . 0 0 "[ . 1 . 2]" 4
681 1 41 LYS HA 1 44 GLU QG . . 3.800 3.301 2.770 3.744 . 0 0 "[ . 1 . 2]" 4
682 1 41 LYS HB3 1 41 LYS QE . . 4.710 4.121 3.266 4.511 . 0 0 "[ . 1 . 2]" 4
683 1 41 LYS QE 1 41 LYS QG . . 3.190 2.187 2.083 2.391 . 0 0 "[ . 1 . 2]" 4
684 1 41 LYS QD 1 44 GLU QB . . 4.180 3.582 3.081 4.158 . 0 0 "[ . 1 . 2]" 4
685 1 42 VAL MG1 1 43 ARG QG . . 4.350 3.713 3.568 3.933 . 0 0 "[ . 1 . 2]" 4
686 1 43 ARG H 1 43 ARG QG . . 3.480 2.529 2.184 2.931 . 0 0 "[ . 1 . 2]" 4
687 1 43 ARG HA 1 43 ARG QG . . 3.240 2.521 2.172 2.904 . 0 0 "[ . 1 . 2]" 4
688 1 44 GLU H 1 44 GLU QG . . 3.520 2.464 2.127 2.831 . 0 0 "[ . 1 . 2]" 4
689 1 44 GLU HA 1 44 GLU QG . . 3.340 2.761 2.404 3.040 . 0 0 "[ . 1 . 2]" 4
690 1 44 GLU QG 1 45 THR H . . 4.820 4.038 3.760 4.493 . 0 0 "[ . 1 . 2]" 4
691 1 46 VAL MG2 1 47 GLY QA . . 3.990 3.512 2.934 3.995 0.005 17 0 "[ . 1 . 2]" 4
692 1 50 LEU H 1 50 LEU QB . . 3.570 2.451 2.111 3.183 . 0 0 "[ . 1 . 2]" 4
693 1 50 LEU HA 1 50 LEU QD . . 3.430 2.690 2.089 3.431 0.001 3 0 "[ . 1 . 2]" 4
694 1 52 ARG H 1 52 ARG QB . . 3.640 2.487 2.137 2.955 . 0 0 "[ . 1 . 2]" 4
695 1 53 GLU QB 1 54 LYS H . . 4.470 3.080 2.085 4.016 . 0 0 "[ . 1 . 2]" 4
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