NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
282992 |
2krd   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2krd
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 7
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 59.085
_Distance_constraint_stats_list.Viol_max 0.417
_Distance_constraint_stats_list.Viol_rms 0.0628
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0211
_Distance_constraint_stats_list.Viol_average_violations_only 0.1343
_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 22 ALA 0.153 0.084 19 0 "[ . 1 . 2]"
1 23 ALA 0.035 0.035 6 0 "[ . 1 . 2]"
1 26 ILE 0.041 0.041 7 0 "[ . 1 . 2]"
1 47 MET 1.239 0.417 11 0 "[ . 1 . 2]"
1 48 LEU 1.486 0.312 17 0 "[ . 1 . 2]"
2 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 LEU 2.914 0.417 11 0 "[ . 1 . 2]"
2 12 LEU 1.486 0.312 17 0 "[ . 1 . 2]"
2 14 ALA 0.041 0.041 7 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 22 ALA MB 2 10 ALA H 6.000 . 6.000 5.167 3.588 5.968 . 0 0 "[ . 1 . 2]" 1
2 1 22 ALA MB 2 11 LEU HA 6.000 . 6.000 5.273 3.457 6.084 0.084 19 0 "[ . 1 . 2]" 1
3 1 22 ALA MB 2 11 LEU QD 6.000 . 6.000 2.495 1.873 3.496 . 0 0 "[ . 1 . 2]" 1
4 1 47 MET ME 2 11 LEU QD 6.000 . 6.000 5.638 3.473 6.417 0.417 11 0 "[ . 1 . 2]" 1
5 1 23 ALA MB 2 11 LEU QD 6.000 . 6.000 3.521 1.765 5.659 0.035 6 0 "[ . 1 . 2]" 1
6 1 48 LEU HG 2 11 LEU QD 6.000 . 6.000 5.964 5.465 6.312 0.312 17 0 "[ . 1 . 2]" 1
7 1 26 ILE MD 2 14 ALA MB 6.000 . 6.000 4.230 1.950 6.041 0.041 7 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 17
_Distance_constraint_stats_list.Viol_count 77
_Distance_constraint_stats_list.Viol_total 170.552
_Distance_constraint_stats_list.Viol_max 0.396
_Distance_constraint_stats_list.Viol_rms 0.0618
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0251
_Distance_constraint_stats_list.Viol_average_violations_only 0.1107
_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 22 ALA 0.143 0.074 2 0 "[ . 1 . 2]"
1 26 ILE 0.269 0.126 17 0 "[ . 1 . 2]"
1 41 LEU 2.418 0.319 7 0 "[ . 1 . 2]"
1 47 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.198 0.056 2 0 "[ . 1 . 2]"
1 60 MET 2.821 0.396 12 0 "[ . 1 . 2]"
1 82 VAL 1.126 0.293 9 0 "[ . 1 . 2]"
1 85 MET 1.552 0.293 9 0 "[ . 1 . 2]"
2 2 ILE 3.947 0.396 12 0 "[ . 1 . 2]"
2 5 ASP 1.552 0.293 9 0 "[ . 1 . 2]"
2 6 ALA 0.022 0.022 18 0 "[ . 1 . 2]"
2 7 MET 2.597 0.319 7 0 "[ . 1 . 2]"
2 8 MET 0.143 0.074 2 0 "[ . 1 . 2]"
2 10 ALA 0.266 0.126 17 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 60 MET ME 2 2 ILE QG 6.000 . 6.000 6.056 5.728 6.396 0.396 12 0 "[ . 1 . 2]" 2
2 1 60 MET ME 2 2 ILE MD 6.000 . 6.000 5.963 5.612 6.200 0.200 4 0 "[ . 1 . 2]" 2
3 1 82 VAL QG 2 2 ILE H 6.000 . 6.000 5.946 5.338 6.293 0.293 9 0 "[ . 1 . 2]" 2
4 1 85 MET ME 2 2 ILE HA 6.000 . 6.000 4.647 2.471 5.940 . 0 0 "[ . 1 . 2]" 2
5 1 85 MET ME 2 5 ASP QB 6.000 . 6.000 5.717 4.625 6.293 0.293 9 0 "[ . 1 . 2]" 2
6 1 48 LEU QD 2 6 ALA MB 6.000 . 6.000 3.083 1.778 5.679 0.022 18 0 "[ . 1 . 2]" 2
7 1 48 LEU QD 2 7 MET ME 6.000 . 6.000 4.170 1.905 5.310 . 0 0 "[ . 1 . 2]" 2
8 1 41 LEU HG 2 7 MET ME 6.000 . 6.000 6.026 5.136 6.319 0.319 7 0 "[ . 1 . 2]" 2
9 1 48 LEU QD 2 7 MET HA 6.000 . 6.000 5.071 3.057 6.056 0.056 2 0 "[ . 1 . 2]" 2
10 1 22 ALA MB 2 8 MET ME 6.000 . 6.000 5.080 3.588 6.074 0.074 2 0 "[ . 1 . 2]" 2
11 1 26 ILE MD 2 7 MET ME 6.000 . 6.000 5.452 3.935 6.065 0.065 15 0 "[ . 1 . 2]" 2
12 1 26 ILE MD 2 10 ALA HA 6.000 . 6.000 4.877 3.619 6.126 0.126 17 0 "[ . 1 . 2]" 2
13 1 48 LEU QD 2 10 ALA HA 6.000 . 6.000 5.557 4.235 6.048 0.048 14 0 "[ . 1 . 2]" 2
14 1 26 ILE MD 2 10 ALA MB 6.000 . 6.000 3.461 2.400 4.961 . 0 0 "[ . 1 . 2]" 2
15 1 48 LEU QD 2 10 ALA MB 6.000 . 6.000 4.812 2.430 5.869 . 0 0 "[ . 1 . 2]" 2
16 1 47 MET ME 2 10 ALA HA 6.000 . 6.000 3.743 2.339 5.807 . 0 0 "[ . 1 . 2]" 2
17 1 47 MET ME 2 10 ALA MB 6.000 . 6.000 2.648 1.898 3.325 . 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 15
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 4.831
_Distance_constraint_stats_list.Viol_max 0.242
_Distance_constraint_stats_list.Viol_rms 0.0140
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.2416
_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
2 1 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 ILE 0.242 0.242 18 0 "[ . 1 . 2]"
2 3 SER 0.242 0.242 18 0 "[ . 1 . 2]"
2 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 LEU 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 2 1 ARG HA 2 2 ILE H 4.000 . 6.000 3.126 2.090 3.605 . 0 0 "[ . 1 . 2]" 3
2 2 2 ILE HA 2 3 SER H 4.000 . 6.000 2.794 2.104 3.545 . 0 0 "[ . 1 . 2]" 3
3 2 2 ILE QG 2 3 SER HA 4.000 . 6.000 4.802 3.648 6.242 0.242 18 0 "[ . 1 . 2]" 3
4 2 3 SER HA 2 4 ALA H 4.000 . 6.000 3.090 2.126 3.567 . 0 0 "[ . 1 . 2]" 3
5 2 4 ALA MB 2 5 ASP H 4.000 . 6.000 2.739 2.183 3.659 . 0 0 "[ . 1 . 2]" 3
6 2 5 ASP QB 2 6 ALA H 4.000 . 6.000 3.855 3.492 4.045 . 0 0 "[ . 1 . 2]" 3
7 2 8 MET HA 2 9 GLN H 3.500 . 5.000 3.511 3.333 3.589 . 0 0 "[ . 1 . 2]" 3
8 2 9 GLN H 2 10 ALA H 4.000 . 6.000 2.572 2.315 2.944 . 0 0 "[ . 1 . 2]" 3
9 2 9 GLN QB 2 10 ALA H 4.000 . 6.000 3.040 2.509 3.824 . 0 0 "[ . 1 . 2]" 3
10 2 6 ALA H 2 8 MET H 4.000 . 6.000 4.533 4.091 4.865 . 0 0 "[ . 1 . 2]" 3
11 2 6 ALA HA 2 8 MET H 4.000 . 6.000 3.961 3.490 4.266 . 0 0 "[ . 1 . 2]" 3
12 2 7 MET HA 2 9 GLN H 4.000 . 6.000 4.153 2.964 5.169 . 0 0 "[ . 1 . 2]" 3
13 2 10 ALA H 2 12 LEU H 4.000 . 6.000 4.683 4.008 4.993 . 0 0 "[ . 1 . 2]" 3
14 2 7 MET HA 2 10 ALA H 4.000 . 6.000 3.345 2.855 4.813 . 0 0 "[ . 1 . 2]" 3
15 2 9 GLN HA 2 12 LEU H 4.000 . 6.000 4.008 3.508 4.573 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 816
_Distance_constraint_stats_list.Viol_count 982
_Distance_constraint_stats_list.Viol_total 2251.204
_Distance_constraint_stats_list.Viol_max 0.602
_Distance_constraint_stats_list.Viol_rms 0.0375
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.1146
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 1.357 0.289 16 0 "[ . 1 . 2]"
1 3 ASP 0.202 0.075 18 0 "[ . 1 . 2]"
1 4 ILE 2.897 0.360 6 0 "[ . 1 . 2]"
1 5 TYR 0.873 0.228 3 0 "[ . 1 . 2]"
1 6 LYS 1.803 0.357 18 0 "[ . 1 . 2]"
1 7 ALA 0.126 0.083 20 0 "[ . 1 . 2]"
1 8 ALA 2.694 0.238 5 0 "[ . 1 . 2]"
1 9 VAL 3.940 0.290 6 0 "[ . 1 . 2]"
1 10 GLU 0.126 0.083 20 0 "[ . 1 . 2]"
1 11 GLN 0.567 0.148 1 0 "[ . 1 . 2]"
1 12 LEU 2.855 0.212 1 0 "[ . 1 . 2]"
1 13 THR 0.844 0.208 20 0 "[ . 1 . 2]"
1 14 GLU 0.631 0.147 6 0 "[ . 1 . 2]"
1 15 GLU 0.667 0.130 13 0 "[ . 1 . 2]"
1 16 GLN 2.488 0.295 11 0 "[ . 1 . 2]"
1 17 LYS 10.453 0.535 12 2 "[ .- 1 + . 2]"
1 18 ASN 2.390 0.217 18 0 "[ . 1 . 2]"
1 19 GLU 1.409 0.217 18 0 "[ . 1 . 2]"
1 20 PHE 7.292 0.535 12 2 "[ .- 1 + . 2]"
1 21 LYS 1.354 0.209 15 0 "[ . 1 . 2]"
1 22 ALA 0.811 0.195 14 0 "[ . 1 . 2]"
1 23 ALA 6.608 0.429 11 0 "[ . 1 . 2]"
1 24 PHE 0.764 0.123 3 0 "[ . 1 . 2]"
1 25 ASP 0.031 0.031 12 0 "[ . 1 . 2]"
1 26 ILE 10.295 0.429 11 0 "[ . 1 . 2]"
1 27 PHE 1.909 0.291 13 0 "[ . 1 . 2]"
1 28 VAL 0.587 0.130 9 0 "[ . 1 . 2]"
1 29 LEU 1.356 0.301 20 0 "[ . 1 . 2]"
1 30 GLY 0.176 0.105 9 0 "[ . 1 . 2]"
1 31 ALA 0.532 0.111 11 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.071 0.071 20 0 "[ . 1 . 2]"
1 34 GLY 0.020 0.020 17 0 "[ . 1 . 2]"
1 35 CYS 1.410 0.223 9 0 "[ . 1 . 2]"
1 36 ILE 12.571 0.507 16 1 "[ . 1 .+ 2]"
1 37 SER 2.090 0.197 19 0 "[ . 1 . 2]"
1 38 THR 12.026 0.602 2 2 "[ + . 1 . - 2]"
1 39 LYS 0.390 0.390 15 0 "[ . 1 . 2]"
1 40 GLU 0.181 0.045 5 0 "[ . 1 . 2]"
1 41 LEU 13.785 0.418 7 0 "[ . 1 . 2]"
1 42 GLY 2.144 0.325 3 0 "[ . 1 . 2]"
1 43 LYS 3.572 0.275 12 0 "[ . 1 . 2]"
1 44 VAL 10.190 0.507 16 1 "[ . 1 .+ 2]"
1 45 MET 1.743 0.211 12 0 "[ . 1 . 2]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 MET 3.208 0.202 20 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.012 0.012 15 0 "[ . 1 . 2]"
1 50 GLN 0.609 0.211 12 0 "[ . 1 . 2]"
1 51 ASN 1.595 0.240 5 0 "[ . 1 . 2]"
1 52 PRO 1.706 0.240 5 0 "[ . 1 . 2]"
1 53 THR 1.677 0.210 6 0 "[ . 1 . 2]"
1 54 PRO 1.768 0.325 3 0 "[ . 1 . 2]"
1 55 GLU 0.436 0.119 10 0 "[ . 1 . 2]"
1 56 GLU 2.390 0.210 6 0 "[ . 1 . 2]"
1 57 LEU 5.724 0.235 6 0 "[ . 1 . 2]"
1 58 GLN 5.979 0.418 7 0 "[ . 1 . 2]"
1 59 GLU 0.391 0.391 8 0 "[ . 1 . 2]"
1 60 MET 1.741 0.257 16 0 "[ . 1 . 2]"
1 61 ILE 8.340 0.434 8 0 "[ . 1 . 2]"
1 62 ASP 0.524 0.112 17 0 "[ . 1 . 2]"
1 63 GLU 0.021 0.021 7 0 "[ . 1 . 2]"
1 64 VAL 1.527 0.196 1 0 "[ . 1 . 2]"
1 65 ASP 0.395 0.112 17 0 "[ . 1 . 2]"
1 66 GLU 0.008 0.008 1 0 "[ . 1 . 2]"
1 67 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.008 0.008 1 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLY 0.406 0.098 3 0 "[ . 1 . 2]"
1 71 THR 4.304 0.330 16 0 "[ . 1 . 2]"
1 72 VAL 15.857 0.602 2 2 "[ + . 1 . - 2]"
1 73 ASP 0.507 0.139 6 0 "[ . 1 . 2]"
1 74 PHE 0.235 0.189 2 0 "[ . 1 . 2]"
1 75 ASP 0.588 0.265 5 0 "[ . 1 . 2]"
1 76 GLU 1.409 0.271 19 0 "[ . 1 . 2]"
1 77 PHE 2.557 0.331 10 0 "[ . 1 . 2]"
1 78 LEU 6.331 0.474 6 0 "[ . 1 . 2]"
1 79 VAL 8.552 0.474 6 0 "[ . 1 . 2]"
1 80 MET 2.557 0.202 2 0 "[ . 1 . 2]"
1 81 MET 2.542 0.202 2 0 "[ . 1 . 2]"
1 82 VAL 1.409 0.228 3 0 "[ . 1 . 2]"
1 83 ARG 1.664 0.360 6 0 "[ . 1 . 2]"
1 84 CYS 0.010 0.010 4 0 "[ . 1 . 2]"
1 85 MET 3.272 0.331 10 0 "[ . 1 . 2]"
1 86 LYS 0.273 0.177 13 0 "[ . 1 . 2]"
1 87 ASP 0.030 0.016 19 0 "[ . 1 . 2]"
1 88 ASP 0.030 0.016 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 74 PHE HA 1 74 PHE QD 3.800 . 3.800 2.645 2.422 3.062 . 0 0 "[ . 1 . 2]" 4
2 1 21 LYS HA 1 74 PHE QE 4.400 . 4.400 2.692 2.145 3.989 . 0 0 "[ . 1 . 2]" 4
3 1 5 TYR HA 1 5 TYR QD 3.800 . 3.800 2.433 2.034 2.792 . 0 0 "[ . 1 . 2]" 4
4 1 72 VAL MG1 1 77 PHE QD 4.400 . 4.400 4.207 3.425 4.559 0.159 9 0 "[ . 1 . 2]" 4
5 1 5 TYR QD 1 82 VAL QG . . 3.890 2.271 1.923 2.889 . 0 0 "[ . 1 . 2]" 4
6 1 21 LYS HA 1 74 PHE HZ 6.000 . 6.000 4.307 3.327 5.790 . 0 0 "[ . 1 . 2]" 4
7 1 3 ASP HA 1 5 TYR H 6.000 . 6.000 4.131 3.647 4.668 . 0 0 "[ . 1 . 2]" 4
8 1 4 ILE HA 1 5 TYR H 6.000 . 6.000 3.530 3.476 3.579 . 0 0 "[ . 1 . 2]" 4
9 1 4 ILE MD 1 5 TYR HB3 6.000 . 6.000 5.442 4.344 6.107 0.107 18 0 "[ . 1 . 2]" 4
10 1 4 ILE MD 1 5 TYR HB2 6.000 . 6.000 4.998 3.515 5.771 . 0 0 "[ . 1 . 2]" 4
11 1 4 ILE MD 1 83 ARG HD2 6.000 . 6.000 5.612 4.878 6.360 0.360 6 0 "[ . 1 . 2]" 4
12 1 4 ILE MD 1 83 ARG HD3 6.000 . 6.000 5.372 4.573 6.058 0.058 3 0 "[ . 1 . 2]" 4
13 1 4 ILE QG 1 5 TYR HB2 6.000 . 6.000 3.766 3.410 4.314 . 0 0 "[ . 1 . 2]" 4
14 1 4 ILE MG 1 86 LYS QE 6.000 . 6.000 5.212 3.193 6.177 0.177 13 0 "[ . 1 . 2]" 4
15 1 5 TYR HB3 1 82 VAL MG1 6.000 . 6.000 3.171 2.138 4.677 . 0 0 "[ . 1 . 2]" 4
16 1 5 TYR QD 1 82 VAL MG2 . . 4.440 4.153 2.654 4.668 0.228 3 0 "[ . 1 . 2]" 4
17 1 5 TYR QD 1 82 VAL MG1 . . 4.440 2.368 1.925 4.322 . 0 0 "[ . 1 . 2]" 4
18 1 6 LYS HA 1 7 ALA H 6.000 . 6.000 3.533 3.485 3.565 . 0 0 "[ . 1 . 2]" 4
19 1 6 LYS HA 1 7 ALA MB 6.000 . 6.000 5.036 4.984 5.076 . 0 0 "[ . 1 . 2]" 4
20 1 6 LYS HA 1 9 VAL HB 6.000 . 6.000 3.566 2.708 4.666 . 0 0 "[ . 1 . 2]" 4
21 1 6 LYS HA 1 9 VAL MG1 6.000 . 6.000 3.750 1.881 4.939 . 0 0 "[ . 1 . 2]" 4
22 1 6 LYS HA 1 9 VAL MG2 6.000 . 6.000 3.523 2.196 5.407 . 0 0 "[ . 1 . 2]" 4
23 1 7 ALA HA 1 8 ALA H 6.000 . 6.000 3.499 3.423 3.548 . 0 0 "[ . 1 . 2]" 4
24 1 8 ALA HA 1 11 GLN HG3 6.000 . 6.000 3.085 2.499 4.258 . 0 0 "[ . 1 . 2]" 4
25 1 8 ALA MB 1 9 VAL MG2 6.000 . 6.000 3.837 2.913 5.071 . 0 0 "[ . 1 . 2]" 4
26 1 8 ALA H 1 9 VAL MG1 6.000 . 6.000 5.168 3.798 5.926 . 0 0 "[ . 1 . 2]" 4
27 1 9 VAL MG2 1 10 GLU HA 6.000 . 6.000 4.916 3.614 5.612 . 0 0 "[ . 1 . 2]" 4
28 1 79 VAL QG 1 80 MET QG 6.000 . 6.000 4.663 4.191 5.406 . 0 0 "[ . 1 . 2]" 4
29 1 9 VAL H 1 82 VAL MG1 6.000 . 6.000 3.924 3.098 4.630 . 0 0 "[ . 1 . 2]" 4
30 1 10 GLU QB 1 11 GLN H 6.000 . 6.000 2.960 2.638 3.138 . 0 0 "[ . 1 . 2]" 4
31 1 11 GLN HA 1 12 LEU H 6.000 . 6.000 3.484 3.409 3.510 . 0 0 "[ . 1 . 2]" 4
32 1 11 GLN HB2 1 12 LEU HB3 6.000 . 6.000 5.940 5.696 6.148 0.148 1 0 "[ . 1 . 2]" 4
33 1 11 GLN HB2 1 12 LEU HG 6.000 . 6.000 3.664 3.096 4.611 . 0 0 "[ . 1 . 2]" 4
34 1 11 GLN HB2 1 12 LEU MD2 6.000 . 6.000 4.255 3.333 5.523 . 0 0 "[ . 1 . 2]" 4
35 1 12 LEU MD1 1 17 LYS HA 6.000 . 6.000 4.415 3.220 6.122 0.122 6 0 "[ . 1 . 2]" 4
36 1 12 LEU MD1 1 78 LEU MD1 6.000 . 6.000 3.222 2.353 4.434 . 0 0 "[ . 1 . 2]" 4
37 1 12 LEU MD2 1 16 GLN QB 6.000 . 6.000 2.919 2.020 3.591 . 0 0 "[ . 1 . 2]" 4
38 1 12 LEU MD2 1 17 LYS QE 6.000 . 6.000 5.461 4.304 6.198 0.198 19 0 "[ . 1 . 2]" 4
39 1 12 LEU MD2 1 17 LYS QD 6.000 . 6.000 5.238 4.027 6.188 0.188 7 0 "[ . 1 . 2]" 4
40 1 12 LEU MD2 1 20 PHE QD 6.000 . 6.000 4.267 2.133 5.663 . 0 0 "[ . 1 . 2]" 4
41 1 13 THR HA 1 15 GLU HB2 6.000 . 6.000 5.730 5.307 6.001 0.001 17 0 "[ . 1 . 2]" 4
42 1 14 GLU HA 1 17 LYS QB 5.770 . 5.770 2.634 2.005 3.100 . 0 0 "[ . 1 . 2]" 4
43 1 14 GLU HA 1 17 LYS QD 6.000 . 6.000 3.327 2.086 5.157 . 0 0 "[ . 1 . 2]" 4
44 1 14 GLU HA 1 18 ASN H 6.000 . 6.000 3.954 3.360 4.375 . 0 0 "[ . 1 . 2]" 4
45 1 15 GLU HA 1 16 GLN H 6.000 . 6.000 3.547 3.515 3.604 . 0 0 "[ . 1 . 2]" 4
46 1 15 GLU HB3 1 19 GLU H 5.940 . 5.940 4.829 4.319 5.211 . 0 0 "[ . 1 . 2]" 4
47 1 15 GLU HB2 1 16 GLN HA 5.510 . 5.510 4.393 4.125 4.775 . 0 0 "[ . 1 . 2]" 4
48 1 15 GLU HB2 1 19 GLU H 5.730 . 5.730 5.595 5.313 5.817 0.087 11 0 "[ . 1 . 2]" 4
49 1 16 GLN HA 1 19 GLU H 6.000 . 6.000 3.604 3.351 3.908 . 0 0 "[ . 1 . 2]" 4
50 1 16 GLN HE22 1 85 MET ME 6.000 . 6.000 5.572 2.919 6.295 0.295 11 0 "[ . 1 . 2]" 4
51 1 16 GLN HG3 1 17 LYS H 6.000 . 6.000 4.796 3.623 5.207 . 0 0 "[ . 1 . 2]" 4
52 1 17 LYS HA 1 18 ASN H 6.000 . 6.000 3.572 3.531 3.609 . 0 0 "[ . 1 . 2]" 4
53 1 17 LYS HA 1 20 PHE QD 6.000 . 6.000 2.835 2.476 3.314 . 0 0 "[ . 1 . 2]" 4
54 1 12 LEU HB3 1 17 LYS HE2 6.000 . 6.000 5.047 4.083 6.212 0.212 1 0 "[ . 1 . 2]" 4
55 1 18 ASN HA 1 21 LYS HB3 5.940 . 5.940 4.390 2.588 5.309 . 0 0 "[ . 1 . 2]" 4
56 1 15 GLU HA 1 18 ASN HB3 6.000 . 6.000 3.479 2.222 4.887 . 0 0 "[ . 1 . 2]" 4
57 1 18 ASN HB3 1 19 GLU HB3 6.000 . 6.000 5.735 4.539 6.217 0.217 18 0 "[ . 1 . 2]" 4
58 1 15 GLU HA 1 18 ASN HB2 6.000 . 6.000 2.908 2.009 4.004 . 0 0 "[ . 1 . 2]" 4
59 1 18 ASN HB2 1 19 GLU HA 6.000 . 6.000 5.142 4.564 5.709 . 0 0 "[ . 1 . 2]" 4
60 1 20 PHE HB3 1 24 PHE HB2 6.000 . 6.000 5.619 4.435 6.043 0.043 2 0 "[ . 1 . 2]" 4
61 1 20 PHE QD 1 21 LYS HA 6.000 . 6.000 3.810 3.237 4.501 . 0 0 "[ . 1 . 2]" 4
62 1 20 PHE QD 1 78 LEU MD2 6.000 . 6.000 3.390 2.484 5.077 . 0 0 "[ . 1 . 2]" 4
63 1 20 PHE QE 1 21 LYS HA 6.000 . 6.000 5.828 5.223 6.209 0.209 15 0 "[ . 1 . 2]" 4
64 1 21 LYS HA 1 24 PHE HB3 6.000 . 6.000 2.543 2.087 3.251 . 0 0 "[ . 1 . 2]" 4
65 1 21 LYS HB3 1 22 ALA H 6.000 . 6.000 3.377 2.484 4.216 . 0 0 "[ . 1 . 2]" 4
66 1 24 PHE HB3 1 25 ASP H 6.000 . 6.000 2.673 2.525 2.988 . 0 0 "[ . 1 . 2]" 4
67 1 24 PHE HB2 1 27 PHE H 6.000 . 6.000 5.861 5.382 6.123 0.123 3 0 "[ . 1 . 2]" 4
68 1 24 PHE HB2 1 36 ILE MD 6.000 . 6.000 4.817 4.171 5.554 . 0 0 "[ . 1 . 2]" 4
69 1 24 PHE QD 1 27 PHE HB3 6.000 . 6.000 5.452 3.857 5.967 . 0 0 "[ . 1 . 2]" 4
70 1 24 PHE QD 1 28 VAL MG1 6.000 . 6.000 3.612 2.953 4.855 . 0 0 "[ . 1 . 2]" 4
71 1 24 PHE QD 1 74 PHE HA 6.000 . 6.000 3.842 3.065 4.812 . 0 0 "[ . 1 . 2]" 4
72 1 24 PHE QE 1 74 PHE HA 6.000 . 6.000 3.139 2.272 3.993 . 0 0 "[ . 1 . 2]" 4
73 1 25 ASP HB3 1 26 ILE H 6.000 . 6.000 3.519 2.709 4.284 . 0 0 "[ . 1 . 2]" 4
74 1 26 ILE HA 1 29 LEU HB3 5.350 . 5.350 5.242 4.646 5.651 0.301 20 0 "[ . 1 . 2]" 4
75 1 26 ILE HA 1 29 LEU MD1 6.000 . 6.000 3.004 2.010 4.225 . 0 0 "[ . 1 . 2]" 4
76 1 26 ILE QG 1 43 LYS H 6.000 . 6.000 6.017 5.223 6.275 0.275 12 0 "[ . 1 . 2]" 4
77 1 27 PHE HB3 1 44 VAL MG2 6.000 . 6.000 5.311 3.666 6.291 0.291 13 0 "[ . 1 . 2]" 4
78 1 27 PHE HB2 1 36 ILE QG 6.000 . 6.000 2.547 2.075 3.392 . 0 0 "[ . 1 . 2]" 4
79 1 27 PHE QD 1 41 LEU HG 6.000 . 6.000 5.534 4.372 6.168 0.168 11 0 "[ . 1 . 2]" 4
80 1 27 PHE QE 1 36 ILE MD 6.000 . 6.000 3.069 2.426 3.755 . 0 0 "[ . 1 . 2]" 4
81 1 27 PHE QE 1 44 VAL MG1 6.000 . 6.000 3.827 2.373 4.751 . 0 0 "[ . 1 . 2]" 4
82 1 28 VAL HA 1 29 LEU H 6.000 . 6.000 2.884 2.108 3.585 . 0 0 "[ . 1 . 2]" 4
83 1 28 VAL HA 1 40 GLU HG2 6.000 . 6.000 4.030 1.864 5.936 . 0 0 "[ . 1 . 2]" 4
84 1 29 LEU HA 1 30 GLY H 6.000 . 6.000 3.076 2.110 3.546 . 0 0 "[ . 1 . 2]" 4
85 1 29 LEU HA 1 31 ALA H 6.000 . 6.000 4.370 3.227 5.378 . 0 0 "[ . 1 . 2]" 4
86 1 26 ILE MG 1 29 LEU HG 6.000 . 6.000 5.056 4.586 5.920 . 0 0 "[ . 1 . 2]" 4
87 1 31 ALA HA 1 32 GLU H 6.000 . 6.000 2.167 2.097 2.307 . 0 0 "[ . 1 . 2]" 4
88 1 31 ALA MB 1 33 ASP HB2 6.000 . 6.000 4.372 2.743 5.632 . 0 0 "[ . 1 . 2]" 4
89 1 32 GLU HA 1 33 ASP H 6.000 . 6.000 3.502 3.333 3.578 . 0 0 "[ . 1 . 2]" 4
90 1 34 GLY HA3 1 35 CYS H 6.000 . 6.000 3.187 2.398 3.560 . 0 0 "[ . 1 . 2]" 4
91 1 34 GLY HA2 1 35 CYS H 6.000 . 6.000 3.024 2.319 3.569 . 0 0 "[ . 1 . 2]" 4
92 1 35 CYS HA 1 36 ILE H 6.000 . 6.000 2.536 2.373 2.962 . 0 0 "[ . 1 . 2]" 4
93 1 35 CYS HA 1 73 ASP H 6.000 . 6.000 5.324 4.533 6.106 0.106 3 0 "[ . 1 . 2]" 4
94 1 35 CYS HB2 1 73 ASP H 6.000 . 6.000 5.082 3.469 6.139 0.139 6 0 "[ . 1 . 2]" 4
95 1 36 ILE HA 1 37 SER H 6.000 . 6.000 2.151 2.079 2.254 . 0 0 "[ . 1 . 2]" 4
96 1 36 ILE MD 1 41 LEU HB3 6.000 . 6.000 5.934 5.431 6.226 0.226 3 0 "[ . 1 . 2]" 4
97 1 36 ILE MD 1 61 ILE QG 6.000 . 6.000 4.595 4.091 5.428 . 0 0 "[ . 1 . 2]" 4
98 1 36 ILE MD 1 80 MET ME 6.000 . 6.000 5.579 4.377 6.139 0.139 10 0 "[ . 1 . 2]" 4
99 1 36 ILE MG 1 41 LEU HB2 6.000 . 6.000 2.233 1.962 3.299 . 0 0 "[ . 1 . 2]" 4
100 1 36 ILE MG 1 44 VAL HA 6.000 . 6.000 6.297 6.137 6.507 0.507 16 1 "[ . 1 .+ 2]" 4
101 1 36 ILE MG 1 44 VAL MG1 6.000 . 6.000 5.025 4.487 5.589 . 0 0 "[ . 1 . 2]" 4
102 1 36 ILE MG 1 61 ILE MD 6.000 . 6.000 2.736 1.999 3.385 . 0 0 "[ . 1 . 2]" 4
103 1 36 ILE H 1 61 ILE QG 6.000 . 6.000 6.209 5.993 6.434 0.434 8 0 "[ . 1 . 2]" 4
104 1 37 SER HA 1 38 THR H 6.000 . 6.000 2.644 2.158 3.169 . 0 0 "[ . 1 . 2]" 4
105 1 37 SER HA 1 61 ILE MD 6.000 . 6.000 3.364 2.687 3.824 . 0 0 "[ . 1 . 2]" 4
106 1 37 SER HB3 1 39 LYS H 6.000 . 6.000 3.987 2.936 5.196 . 0 0 "[ . 1 . 2]" 4
107 1 37 SER HB2 1 71 THR MG 6.000 . 6.000 3.991 3.065 5.067 . 0 0 "[ . 1 . 2]" 4
108 1 38 THR HA 1 57 LEU MD2 6.000 . 6.000 5.683 5.239 6.034 0.034 7 0 "[ . 1 . 2]" 4
109 1 38 THR HB 1 57 LEU MD1 6.000 . 6.000 5.153 3.630 6.077 0.077 7 0 "[ . 1 . 2]" 4
110 1 38 THR HB 1 58 GLN HA 6.000 . 6.000 2.826 2.240 3.608 . 0 0 "[ . 1 . 2]" 4
111 1 38 THR HB 1 72 VAL MG1 6.000 . 6.000 6.382 6.239 6.602 0.602 2 2 "[ + . 1 . - 2]" 4
112 1 38 THR MG 1 61 ILE HB 6.000 . 6.000 4.939 4.304 5.412 . 0 0 "[ . 1 . 2]" 4
113 1 39 LYS H 1 40 GLU QB 6.000 . 6.000 4.472 4.121 4.725 . 0 0 "[ . 1 . 2]" 4
114 1 40 GLU H 1 61 ILE MD 6.000 . 6.000 5.216 4.900 5.619 . 0 0 "[ . 1 . 2]" 4
115 1 41 LEU HA 1 44 VAL H 6.000 . 6.000 3.358 3.054 3.683 . 0 0 "[ . 1 . 2]" 4
116 1 41 LEU HA 1 44 VAL MG1 6.000 . 6.000 4.570 3.697 5.461 . 0 0 "[ . 1 . 2]" 4
117 1 41 LEU HA 1 44 VAL MG2 6.000 . 6.000 3.556 2.387 4.662 . 0 0 "[ . 1 . 2]" 4
118 1 41 LEU HB3 1 42 GLY H 6.000 . 6.000 2.781 2.631 3.208 . 0 0 "[ . 1 . 2]" 4
119 1 41 LEU HB3 1 44 VAL MG1 6.000 . 6.000 5.075 3.995 5.933 . 0 0 "[ . 1 . 2]" 4
120 1 41 LEU HB3 1 57 LEU HA 6.000 . 6.000 5.023 4.273 5.751 . 0 0 "[ . 1 . 2]" 4
121 1 41 LEU HB2 1 44 VAL MG1 6.000 . 6.000 5.373 4.410 6.241 0.241 14 0 "[ . 1 . 2]" 4
122 1 41 LEU HB2 1 57 LEU MD2 6.000 . 6.000 5.856 4.887 6.143 0.143 13 0 "[ . 1 . 2]" 4
123 1 41 LEU HB2 1 61 ILE MD 6.000 . 6.000 2.562 2.129 3.134 . 0 0 "[ . 1 . 2]" 4
124 1 41 LEU MD1 1 61 ILE QG 6.000 . 6.000 3.090 1.762 3.631 0.038 3 0 "[ . 1 . 2]" 4
125 1 41 LEU MD2 1 43 LYS H 6.000 . 6.000 5.551 4.146 5.912 . 0 0 "[ . 1 . 2]" 4
126 1 41 LEU MD2 1 44 VAL H 6.000 . 6.000 4.698 2.860 5.117 . 0 0 "[ . 1 . 2]" 4
127 1 41 LEU MD2 1 44 VAL HA 6.000 . 6.000 5.785 4.042 6.264 0.264 11 0 "[ . 1 . 2]" 4
128 1 41 LEU MD2 1 44 VAL HB 6.000 . 6.000 3.510 1.821 4.183 . 0 0 "[ . 1 . 2]" 4
129 1 41 LEU MD2 1 45 MET HB2 6.000 . 6.000 5.945 4.935 6.192 0.192 17 0 "[ . 1 . 2]" 4
130 1 41 LEU HG 1 57 LEU MD1 6.000 . 6.000 2.275 1.806 3.939 . 0 0 "[ . 1 . 2]" 4
131 1 41 LEU HG 1 57 LEU MD2 6.000 . 6.000 4.506 3.349 6.156 0.156 14 0 "[ . 1 . 2]" 4
132 1 41 LEU HG 1 58 GLN HA 6.000 . 6.000 6.240 5.836 6.418 0.418 7 0 "[ . 1 . 2]" 4
133 1 42 GLY HA3 1 43 LYS H 6.000 . 6.000 3.038 2.926 3.196 . 0 0 "[ . 1 . 2]" 4
134 1 42 GLY HA2 1 43 LYS H 6.000 . 6.000 3.484 3.417 3.570 . 0 0 "[ . 1 . 2]" 4
135 1 42 GLY HA2 1 45 MET HB2 6.000 . 6.000 3.232 2.213 4.066 . 0 0 "[ . 1 . 2]" 4
136 1 42 GLY HA2 1 54 PRO QG 6.000 . 6.000 5.899 5.094 6.325 0.325 3 0 "[ . 1 . 2]" 4
137 1 43 LYS HA 1 44 VAL H 6.000 . 6.000 3.492 3.409 3.537 . 0 0 "[ . 1 . 2]" 4
138 1 43 LYS HB3 1 44 VAL H 5.350 . 5.350 3.590 2.695 4.078 . 0 0 "[ . 1 . 2]" 4
139 1 43 LYS HB2 1 44 VAL H 6.000 . 6.000 2.951 2.472 3.906 . 0 0 "[ . 1 . 2]" 4
140 1 44 VAL HA 1 45 MET H 6.000 . 6.000 3.551 3.451 3.601 . 0 0 "[ . 1 . 2]" 4
141 1 44 VAL HA 1 47 MET HB2 6.000 . 6.000 3.765 2.583 5.530 . 0 0 "[ . 1 . 2]" 4
142 1 44 VAL HA 1 48 LEU HG 6.000 . 6.000 4.687 4.095 5.526 . 0 0 "[ . 1 . 2]" 4
143 1 44 VAL MG2 1 45 MET H 6.000 . 6.000 4.006 3.890 4.222 . 0 0 "[ . 1 . 2]" 4
144 1 45 MET HB3 1 52 PRO HD3 6.000 . 6.000 3.237 2.334 4.280 . 0 0 "[ . 1 . 2]" 4
145 1 45 MET HB3 1 52 PRO HD2 6.000 . 6.000 2.555 1.976 4.390 . 0 0 "[ . 1 . 2]" 4
146 1 45 MET ME 1 52 PRO QB 6.000 . 6.000 3.483 2.693 4.668 . 0 0 "[ . 1 . 2]" 4
147 1 45 MET HG3 1 52 PRO QG 6.000 . 6.000 2.749 1.836 4.475 . 0 0 "[ . 1 . 2]" 4
148 1 45 MET HG3 1 57 LEU MD2 6.000 . 6.000 2.311 1.878 4.088 . 0 0 "[ . 1 . 2]" 4
149 1 47 MET HA 1 48 LEU H 6.000 . 6.000 3.522 3.475 3.558 . 0 0 "[ . 1 . 2]" 4
150 1 49 GLY HA2 1 50 GLN H 6.000 . 6.000 3.127 2.708 3.483 . 0 0 "[ . 1 . 2]" 4
151 1 50 GLN HA 1 51 ASN H 6.000 . 6.000 2.291 2.173 2.410 . 0 0 "[ . 1 . 2]" 4
152 1 50 GLN QG 1 52 PRO HD3 6.000 . 6.000 4.107 3.548 4.544 . 0 0 "[ . 1 . 2]" 4
153 1 52 PRO HA 1 53 THR H 5.760 . 5.760 2.318 2.234 2.485 . 0 0 "[ . 1 . 2]" 4
154 1 53 THR MG 1 54 PRO HD3 6.000 . 6.000 2.742 2.483 3.243 . 0 0 "[ . 1 . 2]" 4
155 1 53 THR MG 1 56 GLU HB2 6.000 . 6.000 4.600 3.634 5.159 . 0 0 "[ . 1 . 2]" 4
156 1 53 THR MG 1 56 GLU HB3 6.000 . 6.000 5.328 4.137 6.210 0.210 6 0 "[ . 1 . 2]" 4
157 1 54 PRO HA 1 57 LEU MD1 6.000 . 6.000 4.544 4.240 4.814 . 0 0 "[ . 1 . 2]" 4
158 1 54 PRO HB2 1 55 GLU H 6.000 . 6.000 2.758 2.527 3.508 . 0 0 "[ . 1 . 2]" 4
159 1 54 PRO HD3 1 55 GLU H 6.000 . 6.000 3.974 3.868 4.099 . 0 0 "[ . 1 . 2]" 4
160 1 54 PRO HD2 1 55 GLU HG2 6.000 . 6.000 4.752 3.046 5.999 . 0 0 "[ . 1 . 2]" 4
161 1 56 GLU HA 1 57 LEU H 6.000 . 6.000 3.478 3.419 3.538 . 0 0 "[ . 1 . 2]" 4
162 1 56 GLU HA 1 59 GLU H 5.200 . 5.200 3.656 3.114 4.173 . 0 0 "[ . 1 . 2]" 4
163 1 56 GLU HB3 1 57 LEU H 5.880 . 5.880 3.189 2.534 3.849 . 0 0 "[ . 1 . 2]" 4
164 1 56 GLU H 1 57 LEU HB3 6.000 . 6.000 5.632 4.924 6.086 0.086 12 0 "[ . 1 . 2]" 4
165 1 57 LEU HB3 1 58 GLN H 6.000 . 6.000 3.099 2.541 3.852 . 0 0 "[ . 1 . 2]" 4
166 1 58 GLN HA 1 61 ILE MG 6.000 . 6.000 4.351 3.883 5.598 . 0 0 "[ . 1 . 2]" 4
167 1 58 GLN QB 1 59 GLU H 6.000 . 6.000 2.898 2.611 3.549 . 0 0 "[ . 1 . 2]" 4
168 1 58 GLN HE21 1 61 ILE MG 6.000 . 6.000 3.560 2.051 5.463 . 0 0 "[ . 1 . 2]" 4
169 1 58 GLN H 1 59 GLU HG3 6.000 . 6.000 4.861 4.280 6.391 0.391 8 0 "[ . 1 . 2]" 4
170 1 60 MET HA 1 62 ASP H 6.000 . 6.000 4.456 4.311 4.596 . 0 0 "[ . 1 . 2]" 4
171 1 41 LEU MD1 1 60 MET ME 6.000 . 6.000 2.993 1.989 3.724 . 0 0 "[ . 1 . 2]" 4
172 1 61 ILE QG 1 64 VAL MG1 6.000 . 6.000 4.387 3.258 5.443 . 0 0 "[ . 1 . 2]" 4
173 1 61 ILE QG 1 64 VAL MG2 6.000 . 6.000 4.376 3.074 5.286 . 0 0 "[ . 1 . 2]" 4
174 1 61 ILE QG 1 72 VAL MG2 6.000 . 6.000 2.079 1.858 2.459 . 0 0 "[ . 1 . 2]" 4
175 1 61 ILE H 1 61 ILE QG . . 4.330 2.459 2.357 2.648 . 0 0 "[ . 1 . 2]" 4
176 1 61 ILE H 1 64 VAL MG1 6.000 . 6.000 5.745 3.874 6.037 0.037 16 0 "[ . 1 . 2]" 4
177 1 61 ILE H 1 64 VAL MG2 6.000 . 6.000 4.703 4.048 6.196 0.196 1 0 "[ . 1 . 2]" 4
178 1 62 ASP HA 1 63 GLU H 6.000 . 6.000 3.540 3.509 3.587 . 0 0 "[ . 1 . 2]" 4
179 1 62 ASP HB3 1 63 GLU H 6.000 . 6.000 2.806 2.278 3.470 . 0 0 "[ . 1 . 2]" 4
180 1 62 ASP HB2 1 63 GLU H 6.000 . 6.000 3.565 2.603 4.030 . 0 0 "[ . 1 . 2]" 4
181 1 62 ASP H 1 65 ASP HB3 6.000 . 6.000 4.958 4.548 5.264 . 0 0 "[ . 1 . 2]" 4
182 1 63 GLU HB3 1 64 VAL MG1 6.000 . 6.000 5.352 2.512 6.021 0.021 7 0 "[ . 1 . 2]" 4
183 1 63 GLU H 1 65 ASP HB3 6.000 . 6.000 5.505 5.046 5.793 . 0 0 "[ . 1 . 2]" 4
184 1 64 VAL HA 1 65 ASP H 6.000 . 6.000 3.390 2.595 3.597 . 0 0 "[ . 1 . 2]" 4
185 1 65 ASP HA 1 66 GLU H 6.000 . 6.000 2.244 2.082 2.413 . 0 0 "[ . 1 . 2]" 4
186 1 66 GLU HA 1 67 ASP H 6.000 . 6.000 3.479 3.217 3.569 . 0 0 "[ . 1 . 2]" 4
187 1 67 ASP HA 1 68 GLY H 6.000 . 6.000 3.409 3.282 3.495 . 0 0 "[ . 1 . 2]" 4
188 1 70 GLY HA3 1 71 THR H 6.000 . 6.000 3.277 3.213 3.340 . 0 0 "[ . 1 . 2]" 4
189 1 71 THR HA 1 72 VAL H 6.000 . 6.000 2.235 2.103 2.404 . 0 0 "[ . 1 . 2]" 4
190 1 72 VAL MG1 1 77 PHE HB2 6.000 . 6.000 4.182 2.354 4.724 . 0 0 "[ . 1 . 2]" 4
191 1 73 ASP HA 1 74 PHE H 6.000 . 6.000 2.449 2.290 2.646 . 0 0 "[ . 1 . 2]" 4
192 1 74 PHE HA 1 78 LEU H 6.000 . 6.000 3.888 3.395 4.626 . 0 0 "[ . 1 . 2]" 4
193 1 74 PHE HA 1 78 LEU MD2 6.000 . 6.000 5.296 4.419 6.189 0.189 2 0 "[ . 1 . 2]" 4
194 1 74 PHE HB3 1 75 ASP H 6.000 . 6.000 2.560 2.409 2.795 . 0 0 "[ . 1 . 2]" 4
195 1 75 ASP HA 1 78 LEU MD2 6.000 . 6.000 4.525 3.511 5.560 . 0 0 "[ . 1 . 2]" 4
196 1 75 ASP HA 1 79 VAL MG1 6.000 . 6.000 5.295 3.202 6.265 0.265 5 0 "[ . 1 . 2]" 4
197 1 75 ASP HB3 1 76 GLU H 6.000 . 6.000 3.275 2.376 4.131 . 0 0 "[ . 1 . 2]" 4
198 1 76 GLU HA 1 77 PHE H 6.000 . 6.000 3.515 3.468 3.565 . 0 0 "[ . 1 . 2]" 4
199 1 76 GLU HB2 1 77 PHE HA 6.000 . 6.000 4.635 4.134 5.641 . 0 0 "[ . 1 . 2]" 4
200 1 77 PHE QD 1 81 MET ME 6.000 . 6.000 3.404 2.037 5.058 . 0 0 "[ . 1 . 2]" 4
201 1 77 PHE QD 1 85 MET ME 6.000 . 6.000 5.780 5.018 6.331 0.331 10 0 "[ . 1 . 2]" 4
202 1 77 PHE QE 1 81 MET ME 6.000 . 6.000 3.075 2.059 4.547 . 0 0 "[ . 1 . 2]" 4
203 1 77 PHE QE 1 85 MET ME 6.000 . 6.000 5.237 4.102 6.043 0.043 10 0 "[ . 1 . 2]" 4
204 1 78 LEU HA 1 79 VAL H 6.000 . 6.000 3.566 3.521 3.614 . 0 0 "[ . 1 . 2]" 4
205 1 78 LEU HA 1 79 VAL MG2 6.000 . 6.000 5.059 4.363 6.009 0.009 8 0 "[ . 1 . 2]" 4
206 1 78 LEU HA 1 81 MET HB3 6.000 . 6.000 4.332 3.526 5.785 . 0 0 "[ . 1 . 2]" 4
207 1 78 LEU HB2 1 79 VAL MG1 6.000 . 6.000 5.698 3.572 6.474 0.474 6 0 "[ . 1 . 2]" 4
208 1 78 LEU MD1 1 79 VAL HA 6.000 . 6.000 3.549 2.896 4.520 . 0 0 "[ . 1 . 2]" 4
209 1 78 LEU MD1 1 81 MET HB3 6.000 . 6.000 4.809 3.930 5.899 . 0 0 "[ . 1 . 2]" 4
210 1 78 LEU H 1 79 VAL MG2 6.000 . 6.000 4.711 3.989 6.114 0.114 2 0 "[ . 1 . 2]" 4
211 1 79 VAL HA 1 82 VAL MG2 6.000 . 6.000 2.659 2.167 4.291 . 0 0 "[ . 1 . 2]" 4
212 1 79 VAL HA 1 83 ARG H 6.000 . 6.000 5.461 4.602 6.087 0.087 4 0 "[ . 1 . 2]" 4
213 1 79 VAL MG1 1 83 ARG HG3 6.000 . 6.000 5.223 3.921 6.093 0.093 12 0 "[ . 1 . 2]" 4
214 1 79 VAL MG2 1 80 MET H 6.000 . 6.000 3.571 1.959 4.174 . 0 0 "[ . 1 . 2]" 4
215 1 79 VAL MG2 1 80 MET HB2 6.000 . 6.000 5.206 3.159 5.958 . 0 0 "[ . 1 . 2]" 4
216 1 79 VAL H 1 82 VAL MG2 6.000 . 6.000 4.609 4.076 6.021 0.021 6 0 "[ . 1 . 2]" 4
217 1 80 MET HB3 1 81 MET ME 6.000 . 6.000 5.255 4.036 6.015 0.015 6 0 "[ . 1 . 2]" 4
218 1 81 MET HA 1 81 MET ME 6.000 . 6.000 3.293 2.189 4.196 . 0 0 "[ . 1 . 2]" 4
219 1 81 MET HA 1 83 ARG HG3 6.000 . 6.000 5.613 5.022 6.088 0.088 7 0 "[ . 1 . 2]" 4
220 1 81 MET HA 1 84 CYS HB3 6.000 . 6.000 4.738 2.636 6.010 0.010 4 0 "[ . 1 . 2]" 4
221 1 81 MET HB3 1 82 VAL H 6.000 . 6.000 3.201 2.797 3.820 . 0 0 "[ . 1 . 2]" 4
222 1 81 MET H 1 81 MET ME 6.000 . 6.000 4.469 3.708 5.135 . 0 0 "[ . 1 . 2]" 4
223 1 82 VAL HA 1 83 ARG H 5.850 . 5.850 3.499 3.407 3.592 . 0 0 "[ . 1 . 2]" 4
224 1 82 VAL HA 1 85 MET HB3 5.350 . 5.350 3.888 3.639 4.487 . 0 0 "[ . 1 . 2]" 4
225 1 82 VAL HA 1 85 MET ME 6.000 . 6.000 2.880 2.135 3.478 . 0 0 "[ . 1 . 2]" 4
226 1 82 VAL MG1 1 85 MET ME 6.000 . 6.000 4.080 2.736 5.203 . 0 0 "[ . 1 . 2]" 4
227 1 82 VAL MG1 1 86 LYS QE 6.000 . 6.000 4.471 2.319 5.725 . 0 0 "[ . 1 . 2]" 4
228 1 84 CYS HA 1 85 MET H 6.000 . 6.000 3.498 3.389 3.560 . 0 0 "[ . 1 . 2]" 4
229 1 84 CYS H 1 85 MET ME 6.000 . 6.000 5.302 4.731 5.786 . 0 0 "[ . 1 . 2]" 4
230 1 86 LYS HA 1 87 ASP H 6.000 . 6.000 3.516 3.296 3.620 . 0 0 "[ . 1 . 2]" 4
231 1 51 ASN HA 1 52 PRO HD3 3.820 . 3.820 3.051 2.380 3.487 . 0 0 "[ . 1 . 2]" 4
232 1 51 ASN HA 1 52 PRO HD2 3.820 . 3.820 2.507 2.248 3.008 . 0 0 "[ . 1 . 2]" 4
233 1 51 ASN HA 1 52 PRO QG 4.130 . 4.130 4.191 4.060 4.370 0.240 5 0 "[ . 1 . 2]" 4
234 1 50 GLN HB2 1 52 PRO HD3 5.180 . 5.180 3.005 2.494 3.809 . 0 0 "[ . 1 . 2]" 4
235 1 50 GLN HB2 1 52 PRO HD2 5.180 . 5.180 3.834 3.225 4.529 . 0 0 "[ . 1 . 2]" 4
236 1 45 MET ME 1 52 PRO HD3 4.740 . 4.740 3.273 2.253 4.491 . 0 0 "[ . 1 . 2]" 4
237 1 50 GLN HB3 1 52 PRO HD3 5.180 . 5.180 2.088 1.843 2.645 . 0 0 "[ . 1 . 2]" 4
238 1 42 GLY HA2 1 57 LEU MD1 5.090 . 5.090 2.464 1.927 3.794 . 0 0 "[ . 1 . 2]" 4
239 1 42 GLY HA3 1 57 LEU MD2 5.090 . 5.090 3.674 2.993 4.243 . 0 0 "[ . 1 . 2]" 4
240 1 42 GLY HA2 1 57 LEU MD2 5.090 . 5.090 2.544 1.948 3.341 . 0 0 "[ . 1 . 2]" 4
241 1 61 ILE MG 1 70 GLY HA3 4.260 . 4.260 4.090 3.401 4.358 0.098 3 0 "[ . 1 . 2]" 4
242 1 61 ILE MG 1 70 GLY HA2 4.260 . 4.260 2.905 2.052 3.307 . 0 0 "[ . 1 . 2]" 4
243 1 46 ARG QB 1 46 ARG HD3 3.780 . 3.780 2.604 2.152 3.316 . 0 0 "[ . 1 . 2]" 4
244 1 46 ARG QB 1 46 ARG HD2 3.780 . 3.780 2.711 2.143 3.325 . 0 0 "[ . 1 . 2]" 4
245 1 73 ASP HB2 1 74 PHE H 4.470 . 4.470 3.423 2.033 3.926 . 0 0 "[ . 1 . 2]" 4
246 1 78 LEU HB3 1 79 VAL H 4.780 . 4.780 2.250 1.868 2.580 . 0 0 "[ . 1 . 2]" 4
247 1 78 LEU HB2 1 79 VAL H 4.780 . 4.780 3.426 2.996 3.949 . 0 0 "[ . 1 . 2]" 4
248 1 29 LEU H 1 29 LEU HB2 3.910 . 3.910 2.661 2.107 3.365 . 0 0 "[ . 1 . 2]" 4
249 1 17 LYS QB 1 17 LYS QE 4.190 . 4.190 2.794 1.917 3.698 . 0 0 "[ . 1 . 2]" 4
250 1 61 ILE MG 1 65 ASP HB3 4.370 . 4.370 2.975 2.468 3.808 . 0 0 "[ . 1 . 2]" 4
251 1 62 ASP H 1 62 ASP HB3 3.860 . 3.860 2.850 2.136 3.568 . 0 0 "[ . 1 . 2]" 4
252 1 59 GLU HA 1 62 ASP HB2 4.360 . 4.360 2.817 1.981 3.619 . 0 0 "[ . 1 . 2]" 4
253 1 59 GLU HA 1 62 ASP HB3 4.360 . 4.360 2.864 1.910 4.224 . 0 0 "[ . 1 . 2]" 4
254 1 53 THR H 1 56 GLU QG 4.910 . 4.910 4.376 3.410 5.106 0.196 2 0 "[ . 1 . 2]" 4
255 1 18 ASN H 1 18 ASN HB3 3.860 . 3.860 3.148 2.521 3.594 . 0 0 "[ . 1 . 2]" 4
256 1 18 ASN HB2 1 19 GLU H 4.310 . 4.310 3.240 2.545 3.924 . 0 0 "[ . 1 . 2]" 4
257 1 18 ASN HB3 1 19 GLU H 4.520 . 4.520 3.044 2.504 3.551 . 0 0 "[ . 1 . 2]" 4
258 1 4 ILE H 1 4 ILE HB 3.860 . 3.860 3.632 3.574 3.697 . 0 0 "[ . 1 . 2]" 4
259 1 26 ILE HB 1 27 PHE H 4.190 . 4.190 3.802 3.612 4.019 . 0 0 "[ . 1 . 2]" 4
260 1 26 ILE H 1 26 ILE HB 3.670 . 3.670 2.349 2.213 2.616 . 0 0 "[ . 1 . 2]" 4
261 1 23 ALA HA 1 26 ILE HB 4.700 . 4.700 3.153 2.802 3.389 . 0 0 "[ . 1 . 2]" 4
262 1 17 LYS QB 1 18 ASN HB2 4.630 . 4.630 4.248 3.876 4.672 0.042 6 0 "[ . 1 . 2]" 4
263 1 23 ALA MB 1 26 ILE HB 4.490 . 4.490 4.280 3.687 4.553 0.063 8 0 "[ . 1 . 2]" 4
264 1 66 GLU QG 1 67 ASP H 4.720 . 4.720 3.976 2.264 4.694 . 0 0 "[ . 1 . 2]" 4
265 1 66 GLU H 1 66 GLU QG 4.670 . 4.670 3.208 2.087 4.040 . 0 0 "[ . 1 . 2]" 4
266 1 63 GLU H 1 63 GLU HG3 4.920 . 4.920 3.693 2.244 4.518 . 0 0 "[ . 1 . 2]" 4
267 1 61 ILE H 1 61 ILE HB 3.720 . 3.720 2.421 2.371 2.515 . 0 0 "[ . 1 . 2]" 4
268 1 63 GLU H 1 63 GLU HG2 4.920 . 4.920 3.757 2.223 4.493 . 0 0 "[ . 1 . 2]" 4
269 1 10 GLU HA 1 10 GLU QG 3.790 . 3.790 2.499 2.288 2.856 . 0 0 "[ . 1 . 2]" 4
270 1 58 GLN HA 1 61 ILE HB 4.440 . 4.440 2.952 2.484 4.352 . 0 0 "[ . 1 . 2]" 4
271 1 16 GLN H 1 16 GLN HG3 4.400 . 4.400 3.726 2.430 4.450 0.050 5 0 "[ . 1 . 2]" 4
272 1 16 GLN H 1 16 GLN HG2 4.400 . 4.400 3.517 2.735 4.575 0.175 9 0 "[ . 1 . 2]" 4
273 1 16 GLN HA 1 16 GLN HG3 4.170 . 4.170 3.353 2.447 3.613 . 0 0 "[ . 1 . 2]" 4
274 1 60 MET HB2 1 61 ILE H 4.600 . 4.600 2.633 2.390 2.825 . 0 0 "[ . 1 . 2]" 4
275 1 36 ILE HB 1 72 VAL HB 3.840 . 3.840 3.440 2.464 3.969 0.129 16 0 "[ . 1 . 2]" 4
276 1 45 MET H 1 45 MET HG2 4.350 . 4.350 2.712 2.245 4.472 0.122 15 0 "[ . 1 . 2]" 4
277 1 45 MET H 1 45 MET HG3 4.350 . 4.350 3.602 2.368 3.908 . 0 0 "[ . 1 . 2]" 4
278 1 86 LYS H 1 86 LYS HB3 4.040 . 4.040 3.158 2.515 3.660 . 0 0 "[ . 1 . 2]" 4
279 1 82 VAL HA 1 85 MET QG 5.040 . 5.040 2.795 2.130 3.557 . 0 0 "[ . 1 . 2]" 4
280 1 36 ILE MD 1 72 VAL HB 4.370 . 4.370 3.341 2.631 3.986 . 0 0 "[ . 1 . 2]" 4
281 1 35 CYS HB3 1 36 ILE H 4.740 . 4.740 3.022 2.007 4.101 . 0 0 "[ . 1 . 2]" 4
282 1 44 VAL HB 1 45 MET H 4.240 . 4.240 3.051 2.545 3.756 . 0 0 "[ . 1 . 2]" 4
283 1 9 VAL H 1 9 VAL HB 3.580 . 3.580 2.437 2.255 2.704 . 0 0 "[ . 1 . 2]" 4
284 1 82 VAL H 1 82 VAL HB 3.870 . 3.870 2.502 2.111 3.603 . 0 0 "[ . 1 . 2]" 4
285 1 47 MET H 1 47 MET HG3 4.540 . 4.540 2.832 1.727 4.542 0.073 12 0 "[ . 1 . 2]" 4
286 1 47 MET H 1 47 MET HG2 4.540 . 4.540 3.367 2.047 4.370 . 0 0 "[ . 1 . 2]" 4
287 1 9 VAL HB 1 10 GLU H 4.140 . 4.140 3.282 2.526 4.124 . 0 0 "[ . 1 . 2]" 4
288 1 44 VAL H 1 44 VAL HB 3.580 . 3.580 2.290 2.101 2.430 . 0 0 "[ . 1 . 2]" 4
289 1 47 MET HA 1 47 MET HG3 4.050 . 4.050 3.095 2.441 3.628 . 0 0 "[ . 1 . 2]" 4
290 1 35 CYS HB3 1 71 THR HB 4.800 . 4.800 4.233 3.331 5.023 0.223 9 0 "[ . 1 . 2]" 4
291 1 66 GLU H 1 66 GLU HB3 4.160 . 4.160 2.985 2.508 3.627 . 0 0 "[ . 1 . 2]" 4
292 1 63 GLU H 1 63 GLU HB3 3.800 . 3.800 3.042 2.110 3.660 . 0 0 "[ . 1 . 2]" 4
293 1 50 GLN HB3 1 52 PRO HD2 5.180 . 5.180 3.529 2.514 4.370 . 0 0 "[ . 1 . 2]" 4
294 1 72 VAL MG1 1 76 GLU HB2 4.520 . 4.520 4.181 3.317 4.791 0.271 19 0 "[ . 1 . 2]" 4
295 1 53 THR H 1 56 GLU HB2 4.600 . 4.600 3.433 2.425 4.117 . 0 0 "[ . 1 . 2]" 4
296 1 53 THR H 1 56 GLU HB3 4.600 . 4.600 3.847 2.821 4.687 0.087 13 0 "[ . 1 . 2]" 4
297 1 15 GLU H 1 15 GLU HB3 3.860 . 3.860 3.589 3.545 3.624 . 0 0 "[ . 1 . 2]" 4
298 1 14 GLU QB 1 15 GLU H 3.960 . 3.960 2.867 2.468 3.496 . 0 0 "[ . 1 . 2]" 4
299 1 16 GLN QB 1 19 GLU H 5.010 . 5.010 4.996 4.825 5.103 0.093 20 0 "[ . 1 . 2]" 4
300 1 17 LYS HA 1 17 LYS QD 4.500 . 4.500 3.631 2.481 4.172 . 0 0 "[ . 1 . 2]" 4
301 1 3 ASP QB 1 6 LYS QD 4.460 . 4.460 4.016 2.984 4.530 0.070 19 0 "[ . 1 . 2]" 4
302 1 46 ARG H 1 46 ARG HG2 4.780 . 4.780 4.088 2.376 4.611 . 0 0 "[ . 1 . 2]" 4
303 1 55 GLU QB 1 57 LEU H 5.340 . 5.340 4.565 4.373 4.877 . 0 0 "[ . 1 . 2]" 4
304 1 46 ARG H 1 46 ARG HG3 4.780 . 4.780 3.979 2.274 4.685 . 0 0 "[ . 1 . 2]" 4
305 1 26 ILE H 1 26 ILE QG . . 3.900 3.929 3.842 3.998 0.098 10 0 "[ . 1 . 2]" 4
306 1 83 ARG H 1 83 ARG HG3 4.700 . 4.700 2.792 2.236 3.555 . 0 0 "[ . 1 . 2]" 4
307 1 83 ARG H 1 83 ARG HG2 4.700 . 4.700 2.843 1.716 3.771 0.084 2 0 "[ . 1 . 2]" 4
308 1 29 LEU H 1 29 LEU HG 4.710 . 4.710 2.548 1.877 3.907 . 0 0 "[ . 1 . 2]" 4
309 1 21 LYS HA 1 21 LYS QD 4.470 . 4.470 3.930 3.057 4.406 . 0 0 "[ . 1 . 2]" 4
310 1 6 LYS QB 1 79 VAL MG2 5.390 . 5.390 4.078 2.310 5.514 0.124 3 0 "[ . 1 . 2]" 4
311 1 42 GLY H 1 57 LEU MD1 4.600 . 4.600 3.296 2.723 4.269 . 0 0 "[ . 1 . 2]" 4
312 1 57 LEU H 1 57 LEU MD1 4.740 . 4.740 4.051 3.689 4.268 . 0 0 "[ . 1 . 2]" 4
313 1 6 LYS H 1 6 LYS QG 4.530 . 4.530 3.546 2.289 3.975 . 0 0 "[ . 1 . 2]" 4
314 1 6 LYS QG 1 7 ALA H 4.910 . 4.910 3.839 3.484 4.200 . 0 0 "[ . 1 . 2]" 4
315 1 48 LEU H 1 48 LEU HG 3.740 . 3.740 2.337 2.160 2.620 . 0 0 "[ . 1 . 2]" 4
316 1 78 LEU MD2 1 79 VAL H 4.960 . 4.960 4.408 3.849 4.815 . 0 0 "[ . 1 . 2]" 4
317 1 6 LYS HA 1 79 VAL MG1 5.430 . 5.430 4.014 2.471 5.573 0.143 2 0 "[ . 1 . 2]" 4
318 1 6 LYS HA 1 79 VAL MG2 5.430 . 5.430 3.615 1.973 5.453 0.023 12 0 "[ . 1 . 2]" 4
319 1 42 GLY HA3 1 57 LEU MD1 5.090 . 5.090 3.797 3.288 5.054 . 0 0 "[ . 1 . 2]" 4
320 1 78 LEU HA 1 78 LEU MD2 4.130 . 4.130 2.688 1.926 3.841 . 0 0 "[ . 1 . 2]" 4
321 1 35 CYS HB2 1 71 THR HB 4.800 . 4.800 4.129 3.338 4.910 0.110 11 0 "[ . 1 . 2]" 4
322 1 6 LYS QB 1 79 VAL MG1 5.390 . 5.390 4.314 2.897 5.507 0.117 1 0 "[ . 1 . 2]" 4
323 1 57 LEU MD1 1 60 MET ME 3.580 . 3.580 2.320 1.819 3.309 . 0 0 "[ . 1 . 2]" 4
324 1 86 LYS H 1 86 LYS QG 4.290 . 4.290 3.100 1.999 4.000 . 0 0 "[ . 1 . 2]" 4
325 1 43 LYS H 1 43 LYS HG2 4.780 . 4.780 3.333 2.083 4.631 . 0 0 "[ . 1 . 2]" 4
326 1 43 LYS H 1 43 LYS HG3 4.780 . 4.780 3.194 2.174 4.439 . 0 0 "[ . 1 . 2]" 4
327 1 78 LEU MD1 1 79 VAL H 4.960 . 4.960 3.709 3.095 4.391 . 0 0 "[ . 1 . 2]" 4
328 1 78 LEU HA 1 78 LEU MD1 4.130 . 4.130 2.129 1.836 2.523 . 0 0 "[ . 1 . 2]" 4
329 1 42 GLY H 1 57 LEU MD2 4.600 . 4.600 4.343 3.797 4.777 0.177 8 0 "[ . 1 . 2]" 4
330 1 57 LEU H 1 57 LEU MD2 4.740 . 4.740 2.619 1.844 3.547 . 0 0 "[ . 1 . 2]" 4
331 1 71 THR H 1 72 VAL MG2 4.790 . 4.790 4.933 4.345 5.120 0.330 16 0 "[ . 1 . 2]" 4
332 1 61 ILE HA 1 72 VAL MG2 3.770 . 3.770 3.675 2.669 3.968 0.198 19 0 "[ . 1 . 2]" 4
333 1 57 LEU MD2 1 60 MET ME 3.580 . 3.580 3.389 2.936 3.782 0.202 1 0 "[ . 1 . 2]" 4
334 1 38 THR H 1 38 THR MG 3.850 . 3.850 3.237 1.964 3.968 0.118 11 0 "[ . 1 . 2]" 4
335 1 38 THR MG 1 58 GLN H 4.320 . 4.320 3.815 3.503 4.293 . 0 0 "[ . 1 . 2]" 4
336 1 13 THR MG 1 16 GLN H 4.940 . 4.940 3.988 3.430 4.331 . 0 0 "[ . 1 . 2]" 4
337 1 53 THR MG 1 56 GLU H 5.260 . 5.260 3.759 2.525 4.567 . 0 0 "[ . 1 . 2]" 4
338 1 82 VAL H 1 82 VAL MG1 4.560 . 4.560 3.572 1.848 3.793 . 0 0 "[ . 1 . 2]" 4
339 1 9 VAL MG2 1 10 GLU H 4.240 . 4.240 3.932 3.650 4.125 . 0 0 "[ . 1 . 2]" 4
340 1 44 VAL H 1 44 VAL MG1 4.540 . 4.540 3.323 2.628 3.775 . 0 0 "[ . 1 . 2]" 4
341 1 28 VAL H 1 28 VAL MG1 3.810 . 3.810 2.549 2.070 3.026 . 0 0 "[ . 1 . 2]" 4
342 1 64 VAL H 1 64 VAL MG1 4.040 . 4.040 3.595 2.391 3.810 . 0 0 "[ . 1 . 2]" 4
343 1 28 VAL MG1 1 29 LEU H 4.350 . 4.350 4.197 3.782 4.367 0.017 15 0 "[ . 1 . 2]" 4
344 1 37 SER HA 1 71 THR MG 4.260 . 4.260 3.153 2.104 4.373 0.113 14 0 "[ . 1 . 2]" 4
345 1 82 VAL HA 1 82 VAL MG2 3.620 . 3.620 2.350 2.142 3.181 . 0 0 "[ . 1 . 2]" 4
346 1 72 VAL MG1 1 76 GLU HB3 4.520 . 4.520 3.732 2.927 4.165 . 0 0 "[ . 1 . 2]" 4
347 1 38 THR MG 1 58 GLN QB 4.120 . 4.120 2.486 2.036 3.714 . 0 0 "[ . 1 . 2]" 4
348 1 53 THR MG 1 54 PRO QG 3.990 . 3.990 3.746 3.490 4.185 0.195 9 0 "[ . 1 . 2]" 4
349 1 53 THR MG 1 55 GLU QB 4.350 . 4.350 3.219 2.202 4.228 . 0 0 "[ . 1 . 2]" 4
350 1 8 ALA MB 1 82 VAL MG2 3.310 . 3.310 2.743 1.873 3.427 0.117 8 0 "[ . 1 . 2]" 4
351 1 28 VAL MG1 1 31 ALA MB 3.790 . 3.790 2.644 1.986 3.765 . 0 0 "[ . 1 . 2]" 4
352 1 44 VAL H 1 44 VAL MG2 4.540 . 4.540 2.898 2.204 3.662 . 0 0 "[ . 1 . 2]" 4
353 1 64 VAL H 1 64 VAL MG2 4.040 . 4.040 2.393 1.925 3.728 . 0 0 "[ . 1 . 2]" 4
354 1 61 ILE HA 1 64 VAL MG2 5.130 . 5.130 3.330 1.937 4.365 . 0 0 "[ . 1 . 2]" 4
355 1 31 ALA MB 1 33 ASP H 3.800 . 3.800 3.207 2.543 3.871 0.071 20 0 "[ . 1 . 2]" 4
356 1 28 VAL H 1 28 VAL MG2 3.360 . 3.360 2.037 1.872 2.228 . 0 0 "[ . 1 . 2]" 4
357 1 28 VAL MG2 1 29 LEU H 4.130 . 4.130 3.334 1.796 4.187 0.057 9 0 "[ . 1 . 2]" 4
358 1 25 ASP HA 1 28 VAL MG2 3.470 . 3.470 2.174 1.850 2.743 . 0 0 "[ . 1 . 2]" 4
359 1 28 VAL HA 1 31 ALA MB 3.840 . 3.840 2.352 1.887 3.259 . 0 0 "[ . 1 . 2]" 4
360 1 28 VAL HB 1 31 ALA MB 3.630 . 3.630 2.611 1.895 3.524 . 0 0 "[ . 1 . 2]" 4
361 1 28 VAL MG2 1 31 ALA MB 4.290 . 4.290 3.838 3.157 4.324 0.034 13 0 "[ . 1 . 2]" 4
362 1 23 ALA MB 1 24 PHE H 4.000 . 4.000 2.777 2.461 3.183 . 0 0 "[ . 1 . 2]" 4
363 1 8 ALA MB 1 9 VAL H 3.520 . 3.520 2.643 2.429 2.906 . 0 0 "[ . 1 . 2]" 4
364 1 79 VAL HA 1 82 VAL H 4.440 . 4.440 3.650 3.204 3.927 . 0 0 "[ . 1 . 2]" 4
365 1 7 ALA H 1 7 ALA MB 2.940 . 2.940 2.217 2.079 2.301 . 0 0 "[ . 1 . 2]" 4
366 1 23 ALA H 1 23 ALA MB 3.500 . 3.500 2.253 2.128 2.324 . 0 0 "[ . 1 . 2]" 4
367 1 23 ALA MB 1 26 ILE H 4.010 . 4.010 4.302 4.183 4.439 0.429 11 0 "[ . 1 . 2]" 4
368 1 8 ALA H 1 8 ALA MB 3.140 . 3.140 2.182 2.114 2.256 . 0 0 "[ . 1 . 2]" 4
369 1 4 ILE HA 1 7 ALA MB 3.550 . 3.550 2.546 2.170 3.261 . 0 0 "[ . 1 . 2]" 4
370 1 79 VAL HA 1 82 VAL HB 4.510 . 4.510 3.309 2.251 4.725 0.215 9 0 "[ . 1 . 2]" 4
371 1 8 ALA MB 1 9 VAL HB 4.480 . 4.480 4.436 4.039 4.718 0.238 5 0 "[ . 1 . 2]" 4
372 1 8 ALA MB 1 82 VAL HB 4.790 . 4.790 3.866 1.871 4.196 . 0 0 "[ . 1 . 2]" 4
373 1 38 THR HA 1 38 THR MG 3.370 . 3.370 3.185 3.074 3.231 . 0 0 "[ . 1 . 2]" 4
374 1 8 ALA MB 1 82 VAL MG1 3.310 . 3.310 1.977 1.786 2.452 0.014 20 0 "[ . 1 . 2]" 4
375 1 36 ILE MG 1 41 LEU H 4.130 . 4.130 2.971 2.461 3.514 . 0 0 "[ . 1 . 2]" 4
376 1 22 ALA H 1 22 ALA MB 3.000 . 3.000 2.245 2.111 2.319 . 0 0 "[ . 1 . 2]" 4
377 1 60 MET ME 1 61 ILE H 4.740 . 4.740 4.492 4.015 4.997 0.257 16 0 "[ . 1 . 2]" 4
378 1 4 ILE MG 1 5 TYR H 4.310 . 4.310 3.923 3.816 4.102 . 0 0 "[ . 1 . 2]" 4
379 1 44 VAL HA 1 48 LEU H 5.140 . 5.140 4.555 4.134 4.884 . 0 0 "[ . 1 . 2]" 4
380 1 7 ALA MB 1 8 ALA H 3.420 . 3.420 2.712 2.571 3.059 . 0 0 "[ . 1 . 2]" 4
381 1 26 ILE H 1 26 ILE MG 4.520 . 4.520 2.632 2.401 2.838 . 0 0 "[ . 1 . 2]" 4
382 1 20 PHE QE 1 85 MET ME 4.190 . 4.190 2.835 2.196 3.806 . 0 0 "[ . 1 . 2]" 4
383 1 47 MET HA 1 47 MET ME 4.330 . 4.330 4.346 4.009 4.481 0.151 12 0 "[ . 1 . 2]" 4
384 1 57 LEU HA 1 60 MET ME 3.960 . 3.960 3.509 2.295 4.137 0.177 20 0 "[ . 1 . 2]" 4
385 1 80 MET ME 1 81 MET HA 4.540 . 4.540 3.647 2.423 4.469 . 0 0 "[ . 1 . 2]" 4
386 1 44 VAL HA 1 47 MET ME 4.010 . 4.010 2.586 1.823 4.088 0.078 8 0 "[ . 1 . 2]" 4
387 1 45 MET ME 1 52 PRO HD2 4.740 . 4.740 3.465 2.180 4.547 . 0 0 "[ . 1 . 2]" 4
388 1 3 ASP QB 1 7 ALA MB 5.490 . 5.490 3.879 3.078 4.745 . 0 0 "[ . 1 . 2]" 4
389 1 3 ASP QB 1 4 ILE MG 4.500 . 4.500 3.964 3.497 4.465 . 0 0 "[ . 1 . 2]" 4
390 1 36 ILE MG 1 40 GLU QB 3.670 . 3.670 2.828 2.109 3.685 0.015 18 0 "[ . 1 . 2]" 4
391 1 45 MET ME 1 50 GLN QG 4.170 . 4.170 3.603 2.089 4.381 0.211 12 0 "[ . 1 . 2]" 4
392 1 60 MET HB3 1 60 MET ME 3.670 . 3.670 2.306 2.036 2.868 . 0 0 "[ . 1 . 2]" 4
393 1 45 MET ME 1 52 PRO QG 3.140 . 3.140 2.147 1.780 3.230 0.090 7 0 "[ . 1 . 2]" 4
394 1 60 MET HB2 1 60 MET ME 3.670 . 3.670 2.347 1.933 2.952 . 0 0 "[ . 1 . 2]" 4
395 1 80 MET HB2 1 80 MET ME 4.240 . 4.240 3.140 2.364 4.064 . 0 0 "[ . 1 . 2]" 4
396 1 80 MET HB3 1 80 MET ME 4.240 . 4.240 2.094 1.849 3.958 . 0 0 "[ . 1 . 2]" 4
397 1 4 ILE MG 1 7 ALA MB 4.870 . 4.870 4.001 3.433 4.572 . 0 0 "[ . 1 . 2]" 4
398 1 82 VAL HA 1 82 VAL MG1 3.620 . 3.620 2.491 2.239 3.176 . 0 0 "[ . 1 . 2]" 4
399 1 4 ILE QG 1 4 ILE MG 3.020 . 3.020 2.211 1.880 2.412 . 0 0 "[ . 1 . 2]" 4
400 1 36 ILE MD 1 36 ILE MG 3.180 . 3.180 1.933 1.770 2.139 0.030 6 0 "[ . 1 . 2]" 4
401 1 61 ILE MG 1 72 VAL H 4.390 . 4.390 3.425 2.753 3.868 . 0 0 "[ . 1 . 2]" 4
402 1 61 ILE MG 1 62 ASP H 4.290 . 4.290 3.280 3.222 3.328 . 0 0 "[ . 1 . 2]" 4
403 1 61 ILE H 1 61 ILE MG 4.440 . 4.440 3.770 3.730 3.807 . 0 0 "[ . 1 . 2]" 4
404 1 61 ILE MG 1 71 THR HA 4.650 . 4.650 2.828 2.212 3.537 . 0 0 "[ . 1 . 2]" 4
405 1 85 MET HA 1 85 MET ME 4.810 . 4.810 4.532 4.419 4.641 . 0 0 "[ . 1 . 2]" 4
406 1 61 ILE HA 1 61 ILE MG 3.690 . 3.690 2.454 2.363 2.519 . 0 0 "[ . 1 . 2]" 4
407 1 61 ILE MG 1 65 ASP HB2 4.370 . 4.370 2.129 1.843 2.634 . 0 0 "[ . 1 . 2]" 4
408 1 26 ILE HA 1 26 ILE QG . . 3.370 2.165 2.031 2.268 . 0 0 "[ . 1 . 2]" 4
409 1 61 ILE MG 1 72 VAL MG2 3.160 . 3.160 2.385 1.823 2.846 . 0 0 "[ . 1 . 2]" 4
410 1 61 ILE HA 1 64 VAL MG1 5.130 . 5.130 3.620 1.838 4.248 . 0 0 "[ . 1 . 2]" 4
411 1 26 ILE HA 1 26 ILE MG 3.460 . 3.460 3.201 3.150 3.235 . 0 0 "[ . 1 . 2]" 4
412 1 4 ILE HA 1 6 LYS H 5.360 . 5.360 4.416 4.199 4.642 . 0 0 "[ . 1 . 2]" 4
413 1 4 ILE HA 1 7 ALA H 5.530 . 5.530 3.408 2.952 4.021 . 0 0 "[ . 1 . 2]" 4
414 1 27 PHE QD 1 36 ILE MD 4.550 . 4.550 2.380 1.955 2.973 . 0 0 "[ . 1 . 2]" 4
415 1 36 ILE HA 1 40 GLU QB 4.520 . 4.520 2.900 1.873 3.608 . 0 0 "[ . 1 . 2]" 4
416 1 36 ILE MD 1 72 VAL MG1 4.570 . 4.570 3.990 2.058 4.669 0.099 16 0 "[ . 1 . 2]" 4
417 1 4 ILE HA 1 4 ILE QG 3.820 . 3.820 3.341 3.307 3.398 . 0 0 "[ . 1 . 2]" 4
418 1 4 ILE HA 1 4 ILE MG 3.410 . 3.410 2.340 2.240 2.446 . 0 0 "[ . 1 . 2]" 4
419 1 17 LYS HA 1 20 PHE QE 4.490 . 4.490 4.807 4.631 5.025 0.535 12 2 "[ .- 1 + . 2]" 4
420 1 4 ILE HA 1 4 ILE MD 4.310 . 4.310 4.101 3.868 4.159 . 0 0 "[ . 1 . 2]" 4
421 1 28 VAL HA 1 28 VAL MG1 3.750 . 3.750 2.317 2.199 2.410 . 0 0 "[ . 1 . 2]" 4
422 1 55 GLU HA 1 58 GLN H 4.860 . 4.860 3.633 3.251 4.273 . 0 0 "[ . 1 . 2]" 4
423 1 26 ILE H 1 26 ILE MD 4.420 . 4.420 4.206 3.991 4.351 . 0 0 "[ . 1 . 2]" 4
424 1 74 PHE HA 1 74 PHE QE 4.600 . 4.600 4.486 4.348 4.587 . 0 0 "[ . 1 . 2]" 4
425 1 23 ALA HA 1 26 ILE MD 4.070 . 4.070 4.015 3.452 4.182 0.112 16 0 "[ . 1 . 2]" 4
426 1 26 ILE HA 1 26 ILE MD 4.160 . 4.160 3.609 3.259 3.715 . 0 0 "[ . 1 . 2]" 4
427 1 39 LYS HA 1 39 LYS QE 5.060 . 5.060 4.468 3.678 5.450 0.390 15 0 "[ . 1 . 2]" 4
428 1 43 LYS HA 1 43 LYS QE 5.290 . 5.290 4.284 3.643 4.880 . 0 0 "[ . 1 . 2]" 4
429 1 26 ILE HB 1 26 ILE MD 3.620 . 3.620 2.222 2.034 2.367 . 0 0 "[ . 1 . 2]" 4
430 1 4 ILE HB 1 4 ILE MD 3.580 . 3.580 2.287 2.094 2.448 . 0 0 "[ . 1 . 2]" 4
431 1 72 VAL MG1 1 77 PHE HA 4.290 . 4.290 4.047 3.035 4.444 0.154 16 0 "[ . 1 . 2]" 4
432 1 59 GLU HA 1 62 ASP H 4.430 . 4.430 3.157 2.843 3.523 . 0 0 "[ . 1 . 2]" 4
433 1 14 GLU HA 1 17 LYS H 4.660 . 4.660 3.409 3.096 3.775 . 0 0 "[ . 1 . 2]" 4
434 1 61 ILE H 1 61 ILE MD 3.970 . 3.970 3.565 3.461 3.671 . 0 0 "[ . 1 . 2]" 4
435 1 5 TYR HA 1 5 TYR QE 4.710 . 4.710 4.392 4.248 4.556 . 0 0 "[ . 1 . 2]" 4
436 1 38 THR HA 1 61 ILE MD 3.620 . 3.620 2.101 1.831 2.348 . 0 0 "[ . 1 . 2]" 4
437 1 18 ASN HB3 1 19 GLU HA 4.390 . 4.390 4.284 3.992 4.420 0.030 6 0 "[ . 1 . 2]" 4
438 1 56 GLU HA 1 56 GLU QG 3.590 . 3.590 2.325 2.064 2.818 . 0 0 "[ . 1 . 2]" 4
439 1 5 TYR HA 1 8 ALA MB 3.680 . 3.680 2.600 2.021 3.374 . 0 0 "[ . 1 . 2]" 4
440 1 19 GLU HA 1 22 ALA MB 3.610 . 3.610 2.573 1.987 3.359 . 0 0 "[ . 1 . 2]" 4
441 1 38 THR MG 1 61 ILE MD 3.280 . 3.280 3.316 3.227 3.441 0.161 15 0 "[ . 1 . 2]" 4
442 1 4 ILE QG 1 5 TYR HA 3.990 . 3.990 3.481 3.241 4.046 0.056 17 0 "[ . 1 . 2]" 4
443 1 58 GLN HA 1 61 ILE H 4.390 . 4.390 3.363 3.176 4.021 . 0 0 "[ . 1 . 2]" 4
444 1 62 ASP HA 1 64 VAL H 4.630 . 4.630 4.484 3.977 4.668 0.038 14 0 "[ . 1 . 2]" 4
445 1 10 GLU HA 1 12 LEU H 4.540 . 4.540 3.959 3.509 4.208 . 0 0 "[ . 1 . 2]" 4
446 1 21 LYS HA 1 24 PHE QD 5.600 . 5.600 4.074 3.623 4.415 . 0 0 "[ . 1 . 2]" 4
447 1 47 MET HA 1 47 MET HG2 4.050 . 4.050 3.041 2.487 4.124 0.074 12 0 "[ . 1 . 2]" 4
448 1 16 GLN HA 1 16 GLN HG2 4.170 . 4.170 2.440 2.072 3.714 . 0 0 "[ . 1 . 2]" 4
449 1 38 THR MG 1 58 GLN HA 3.620 . 3.620 3.336 2.162 3.597 . 0 0 "[ . 1 . 2]" 4
450 1 58 GLN HA 1 61 ILE MD 4.710 . 4.710 2.847 2.183 3.951 . 0 0 "[ . 1 . 2]" 4
451 1 62 ASP HA 1 65 ASP H 5.160 . 5.160 3.700 3.226 4.677 . 0 0 "[ . 1 . 2]" 4
452 1 25 ASP HA 1 28 VAL H 4.600 . 4.600 3.474 2.957 3.864 . 0 0 "[ . 1 . 2]" 4
453 1 62 ASP HA 1 65 ASP HB3 4.140 . 4.140 2.971 2.608 3.293 . 0 0 "[ . 1 . 2]" 4
454 1 62 ASP HA 1 65 ASP HB2 4.140 . 4.140 3.949 3.394 4.252 0.112 17 0 "[ . 1 . 2]" 4
455 1 86 LYS HA 1 86 LYS QD 4.260 . 4.260 3.756 1.829 4.180 . 0 0 "[ . 1 . 2]" 4
456 1 86 LYS HA 1 86 LYS QG 3.750 . 3.750 2.345 2.123 2.936 . 0 0 "[ . 1 . 2]" 4
457 1 61 ILE MG 1 62 ASP HA 4.470 . 4.470 3.277 3.134 3.408 . 0 0 "[ . 1 . 2]" 4
458 1 36 ILE MG 1 41 LEU HA 4.080 . 4.080 2.529 2.088 3.036 . 0 0 "[ . 1 . 2]" 4
459 1 25 ASP HA 1 28 VAL MG1 5.000 . 5.000 4.256 3.177 5.031 0.031 12 0 "[ . 1 . 2]" 4
460 1 17 LYS QB 1 18 ASN HA 3.770 . 3.770 3.854 3.766 3.933 0.163 1 0 "[ . 1 . 2]" 4
461 1 3 ASP HA 1 6 LYS QB 3.680 . 3.680 2.574 1.943 3.755 0.075 18 0 "[ . 1 . 2]" 4
462 1 8 ALA HA 1 11 GLN H 5.310 . 5.310 3.542 3.200 4.204 . 0 0 "[ . 1 . 2]" 4
463 1 23 ALA HA 1 26 ILE H 4.420 . 4.420 3.238 2.945 3.456 . 0 0 "[ . 1 . 2]" 4
464 1 7 ALA HA 1 10 GLU QG 4.020 . 4.020 2.993 2.515 3.724 . 0 0 "[ . 1 . 2]" 4
465 1 7 ALA HA 1 10 GLU QB 4.030 . 4.030 3.221 2.220 4.113 0.083 20 0 "[ . 1 . 2]" 4
466 1 28 VAL MG1 1 35 CYS HA 4.040 . 4.040 3.584 2.876 4.170 0.130 9 0 "[ . 1 . 2]" 4
467 1 71 THR HB 1 72 VAL H 4.170 . 4.170 2.896 2.347 3.840 . 0 0 "[ . 1 . 2]" 4
468 1 37 SER H 1 40 GLU QB 4.610 . 4.610 2.535 1.784 3.586 0.016 3 0 "[ . 1 . 2]" 4
469 1 66 GLU H 1 66 GLU HB2 4.160 . 4.160 2.554 2.100 3.624 . 0 0 "[ . 1 . 2]" 4
470 1 72 VAL H 1 72 VAL MG2 4.470 . 4.470 1.971 1.699 3.231 0.101 6 0 "[ . 1 . 2]" 4
471 1 30 GLY H 1 31 ALA H 4.120 . 4.120 2.264 1.695 2.670 0.105 9 0 "[ . 1 . 2]" 4
472 1 38 THR H 1 39 LYS H 4.120 . 4.120 3.160 2.709 3.761 . 0 0 "[ . 1 . 2]" 4
473 1 76 GLU H 1 77 PHE H 4.570 . 4.570 2.539 2.425 2.728 . 0 0 "[ . 1 . 2]" 4
474 1 77 PHE H 1 78 LEU H 4.570 . 4.570 2.780 2.653 2.973 . 0 0 "[ . 1 . 2]" 4
475 1 18 ASN H 1 19 GLU H 3.570 . 3.570 2.655 2.546 2.760 . 0 0 "[ . 1 . 2]" 4
476 1 39 LYS H 1 40 GLU H 3.950 . 3.950 2.560 2.406 2.710 . 0 0 "[ . 1 . 2]" 4
477 1 28 VAL H 1 29 LEU H 4.040 . 4.040 3.127 2.416 4.067 0.027 12 0 "[ . 1 . 2]" 4
478 1 29 LEU H 1 29 LEU HB3 3.910 . 3.910 3.644 3.105 3.979 0.069 10 0 "[ . 1 . 2]" 4
479 1 31 ALA H 1 31 ALA MB 3.440 . 3.440 2.240 2.036 2.455 . 0 0 "[ . 1 . 2]" 4
480 1 3 ASP H 1 4 ILE H 4.070 . 4.070 2.594 2.249 2.904 . 0 0 "[ . 1 . 2]" 4
481 1 64 VAL H 1 65 ASP H 3.780 . 3.780 2.695 2.067 3.477 . 0 0 "[ . 1 . 2]" 4
482 1 13 THR HA 1 14 GLU H 3.340 . 3.340 2.408 2.202 2.539 . 0 0 "[ . 1 . 2]" 4
483 1 53 THR HB 1 56 GLU H 4.710 . 4.710 2.622 2.241 3.556 . 0 0 "[ . 1 . 2]" 4
484 1 87 ASP HA 1 88 ASP H 3.560 . 3.560 2.842 2.118 3.576 0.016 19 0 "[ . 1 . 2]" 4
485 1 13 THR HB 1 14 GLU H 3.170 . 3.170 2.544 2.202 3.294 0.124 16 0 "[ . 1 . 2]" 4
486 1 20 PHE HB2 1 21 LYS H 4.900 . 4.900 3.352 3.250 3.444 . 0 0 "[ . 1 . 2]" 4
487 1 20 PHE HB3 1 21 LYS H 4.900 . 4.900 2.339 2.140 2.468 . 0 0 "[ . 1 . 2]" 4
488 1 3 ASP H 1 3 ASP QB 3.630 . 3.630 2.459 2.217 2.784 . 0 0 "[ . 1 . 2]" 4
489 1 88 ASP H 1 88 ASP QB 3.920 . 3.920 2.588 2.224 3.164 . 0 0 "[ . 1 . 2]" 4
490 1 65 ASP H 1 65 ASP HB3 4.160 . 4.160 2.732 2.588 3.059 . 0 0 "[ . 1 . 2]" 4
491 1 14 GLU H 1 14 GLU QG 3.770 . 3.770 2.539 1.830 3.917 0.147 6 0 "[ . 1 . 2]" 4
492 1 65 ASP H 1 65 ASP HB2 4.160 . 4.160 2.595 2.345 3.290 . 0 0 "[ . 1 . 2]" 4
493 1 21 LYS H 1 21 LYS HB3 3.910 . 3.910 2.837 2.169 3.644 . 0 0 "[ . 1 . 2]" 4
494 1 14 GLU H 1 14 GLU QB 3.110 . 3.110 2.440 2.055 2.927 . 0 0 "[ . 1 . 2]" 4
495 1 21 LYS H 1 21 LYS HB2 3.910 . 3.910 2.693 2.189 3.614 . 0 0 "[ . 1 . 2]" 4
496 1 46 ARG QB 1 47 MET H 3.740 . 3.740 2.630 2.440 2.860 . 0 0 "[ . 1 . 2]" 4
497 1 55 GLU QB 1 56 GLU H 3.890 . 3.890 2.649 2.385 3.358 . 0 0 "[ . 1 . 2]" 4
498 1 13 THR MG 1 14 GLU H 4.210 . 4.210 3.627 1.859 4.088 . 0 0 "[ . 1 . 2]" 4
499 1 21 LYS H 1 22 ALA H 4.040 . 4.040 2.652 2.496 2.808 . 0 0 "[ . 1 . 2]" 4
500 1 22 ALA H 1 24 PHE H 4.120 . 4.120 4.003 3.786 4.199 0.079 4 0 "[ . 1 . 2]" 4
501 1 20 PHE H 1 22 ALA H 4.150 . 4.150 3.988 3.765 4.140 . 0 0 "[ . 1 . 2]" 4
502 1 4 ILE H 1 5 TYR H 3.770 . 3.770 2.700 2.484 2.927 . 0 0 "[ . 1 . 2]" 4
503 1 42 GLY H 1 43 LYS H 4.040 . 4.040 2.910 2.620 3.114 . 0 0 "[ . 1 . 2]" 4
504 1 5 TYR H 1 6 LYS H 3.160 . 3.160 2.539 2.099 2.687 . 0 0 "[ . 1 . 2]" 4
505 1 10 GLU H 1 12 LEU H 4.470 . 4.470 4.152 3.917 4.386 . 0 0 "[ . 1 . 2]" 4
506 1 3 ASP HA 1 6 LYS H 4.190 . 4.190 3.247 2.891 3.787 . 0 0 "[ . 1 . 2]" 4
507 1 5 TYR HA 1 8 ALA H 4.340 . 4.340 3.400 3.056 3.941 . 0 0 "[ . 1 . 2]" 4
508 1 41 LEU HA 1 43 LYS H 5.280 . 5.280 3.559 3.376 3.783 . 0 0 "[ . 1 . 2]" 4
509 1 5 TYR HB3 1 6 LYS H 4.480 . 4.480 3.640 3.284 3.813 . 0 0 "[ . 1 . 2]" 4
510 1 5 TYR H 1 5 TYR HB3 4.190 . 4.190 3.600 3.535 3.729 . 0 0 "[ . 1 . 2]" 4
511 1 5 TYR H 1 5 TYR HB2 4.190 . 4.190 2.482 2.254 2.642 . 0 0 "[ . 1 . 2]" 4
512 1 5 TYR HB2 1 6 LYS H 4.480 . 4.480 2.650 2.342 2.916 . 0 0 "[ . 1 . 2]" 4
513 1 6 LYS H 1 6 LYS QB 3.160 . 3.160 2.276 2.159 2.435 . 0 0 "[ . 1 . 2]" 4
514 1 12 LEU H 1 12 LEU HG 3.930 . 3.930 2.469 1.993 3.608 . 0 0 "[ . 1 . 2]" 4
515 1 4 ILE QG 1 5 TYR H 4.230 . 4.230 1.934 1.726 2.354 0.074 17 0 "[ . 1 . 2]" 4
516 1 4 ILE MD 1 5 TYR H 5.340 . 5.340 3.597 2.606 4.064 . 0 0 "[ . 1 . 2]" 4
517 1 13 THR H 1 16 GLN H 4.340 . 4.340 3.792 3.302 4.326 . 0 0 "[ . 1 . 2]" 4
518 1 15 GLU H 1 16 GLN H 3.380 . 3.380 2.618 2.503 2.744 . 0 0 "[ . 1 . 2]" 4
519 1 16 GLN H 1 17 LYS H 3.710 . 3.710 2.675 2.494 2.827 . 0 0 "[ . 1 . 2]" 4
520 1 23 ALA H 1 24 PHE H 4.420 . 4.420 2.520 2.269 2.639 . 0 0 "[ . 1 . 2]" 4
521 1 61 ILE H 1 62 ASP H 4.470 . 4.470 2.638 2.542 2.770 . 0 0 "[ . 1 . 2]" 4
522 1 40 GLU H 1 41 LEU H 4.200 . 4.200 2.377 2.245 2.542 . 0 0 "[ . 1 . 2]" 4
523 1 74 PHE H 1 75 ASP H 3.840 . 3.840 2.766 2.605 2.896 . 0 0 "[ . 1 . 2]" 4
524 1 75 ASP H 1 76 GLU H 4.080 . 4.080 2.667 2.472 2.817 . 0 0 "[ . 1 . 2]" 4
525 1 26 ILE H 1 27 PHE H 3.970 . 3.970 2.625 2.419 2.769 . 0 0 "[ . 1 . 2]" 4
526 1 8 ALA H 1 9 VAL H 3.910 . 3.910 2.676 2.540 2.941 . 0 0 "[ . 1 . 2]" 4
527 1 13 THR HA 1 16 GLN H 4.750 . 4.750 4.487 4.246 4.706 . 0 0 "[ . 1 . 2]" 4
528 1 3 ASP HA 1 4 ILE H 3.470 . 3.470 3.385 3.302 3.516 0.046 20 0 "[ . 1 . 2]" 4
529 1 62 ASP H 1 62 ASP HB2 3.860 . 3.860 2.440 2.263 3.207 . 0 0 "[ . 1 . 2]" 4
530 1 2 ASP QB 1 4 ILE H 4.230 . 4.230 3.736 2.387 4.519 0.289 16 0 "[ . 1 . 2]" 4
531 1 3 ASP QB 1 4 ILE H 4.400 . 4.400 3.395 2.986 3.811 . 0 0 "[ . 1 . 2]" 4
532 1 35 CYS HB2 1 36 ILE H 4.740 . 4.740 3.128 2.196 3.841 . 0 0 "[ . 1 . 2]" 4
533 1 74 PHE H 1 74 PHE HB2 4.180 . 4.180 2.532 2.298 2.645 . 0 0 "[ . 1 . 2]" 4
534 1 10 GLU H 1 10 GLU QG 3.210 . 3.210 2.297 2.060 2.473 . 0 0 "[ . 1 . 2]" 4
535 1 85 MET H 1 85 MET QG 3.470 . 3.470 2.489 2.107 3.310 . 0 0 "[ . 1 . 2]" 4
536 1 61 ILE HB 1 62 ASP H 3.970 . 3.970 2.729 2.601 2.935 . 0 0 "[ . 1 . 2]" 4
537 1 17 LYS H 1 17 LYS QB 3.380 . 3.380 2.280 2.049 2.421 . 0 0 "[ . 1 . 2]" 4
538 1 10 GLU H 1 10 GLU QB 3.210 . 3.210 2.408 2.311 2.459 . 0 0 "[ . 1 . 2]" 4
539 1 59 GLU H 1 59 GLU QB 3.810 . 3.810 2.394 2.173 2.503 . 0 0 "[ . 1 . 2]" 4
540 1 50 GLN H 1 50 GLN QG 4.050 . 4.050 2.839 2.292 3.487 . 0 0 "[ . 1 . 2]" 4
541 1 60 MET HB3 1 61 ILE H 4.600 . 4.600 3.631 3.461 3.824 . 0 0 "[ . 1 . 2]" 4
542 1 16 GLN QB 1 17 LYS H 3.930 . 3.930 2.546 2.323 2.726 . 0 0 "[ . 1 . 2]" 4
543 1 86 LYS H 1 86 LYS HB2 4.040 . 4.040 2.418 2.191 2.592 . 0 0 "[ . 1 . 2]" 4
544 1 46 ARG H 1 46 ARG QB 3.270 . 3.270 2.282 2.114 2.421 . 0 0 "[ . 1 . 2]" 4
545 1 48 LEU QB 1 50 GLN H 4.690 . 4.690 2.892 2.401 3.492 . 0 0 "[ . 1 . 2]" 4
546 1 22 ALA MB 1 23 ALA H 4.610 . 4.610 2.404 2.163 2.593 . 0 0 "[ . 1 . 2]" 4
547 1 4 ILE H 1 4 ILE QG 3.430 . 3.430 2.104 1.881 2.346 . 0 0 "[ . 1 . 2]" 4
548 1 9 VAL MG1 1 10 GLU H 4.240 . 4.240 2.964 1.979 3.850 . 0 0 "[ . 1 . 2]" 4
549 1 4 ILE H 1 4 ILE MG 3.610 . 3.610 2.205 1.952 2.368 . 0 0 "[ . 1 . 2]" 4
550 1 20 PHE H 1 21 LYS H 4.290 . 4.290 2.718 2.603 2.849 . 0 0 "[ . 1 . 2]" 4
551 1 14 GLU H 1 15 GLU H 3.460 . 3.460 2.629 2.485 2.844 . 0 0 "[ . 1 . 2]" 4
552 1 55 GLU H 1 56 GLU H 3.490 . 3.490 2.593 2.476 2.701 . 0 0 "[ . 1 . 2]" 4
553 1 47 MET H 1 48 LEU H 3.640 . 3.640 2.597 2.414 2.700 . 0 0 "[ . 1 . 2]" 4
554 1 25 ASP H 1 26 ILE H 4.290 . 4.290 2.736 2.634 2.829 . 0 0 "[ . 1 . 2]" 4
555 1 53 THR HB 1 55 GLU H 3.770 . 3.770 2.914 2.248 3.778 0.008 15 0 "[ . 1 . 2]" 4
556 1 13 THR HA 1 15 GLU H 4.390 . 4.390 4.293 4.059 4.479 0.089 17 0 "[ . 1 . 2]" 4
557 1 13 THR HB 1 15 GLU H 4.730 . 4.730 2.956 2.668 3.216 . 0 0 "[ . 1 . 2]" 4
558 1 69 SER H 1 69 SER QB 3.450 . 3.450 2.618 2.526 2.704 . 0 0 "[ . 1 . 2]" 4
559 1 73 ASP HB3 1 74 PHE H 4.470 . 4.470 3.080 2.324 3.747 . 0 0 "[ . 1 . 2]" 4
560 1 18 ASN H 1 18 ASN HB2 3.920 . 3.920 2.390 2.208 2.618 . 0 0 "[ . 1 . 2]" 4
561 1 74 PHE H 1 74 PHE HB3 4.180 . 4.180 2.613 2.499 2.866 . 0 0 "[ . 1 . 2]" 4
562 1 14 GLU QG 1 15 GLU H 4.390 . 4.390 3.682 1.994 4.520 0.130 13 0 "[ . 1 . 2]" 4
563 1 58 GLN H 1 58 GLN HG2 5.350 . 5.350 4.425 3.292 4.707 . 0 0 "[ . 1 . 2]" 4
564 1 58 GLN H 1 58 GLN HG3 5.350 . 5.350 4.315 3.146 4.534 . 0 0 "[ . 1 . 2]" 4
565 1 54 PRO QG 1 55 GLU H 3.850 . 3.850 3.804 2.826 3.928 0.078 2 0 "[ . 1 . 2]" 4
566 1 55 GLU H 1 55 GLU QB 3.670 . 3.670 2.431 2.343 2.698 . 0 0 "[ . 1 . 2]" 4
567 1 17 LYS QB 1 20 PHE H 5.310 . 5.310 4.668 4.445 4.948 . 0 0 "[ . 1 . 2]" 4
568 1 15 GLU H 1 15 GLU HB2 3.860 . 3.860 2.460 2.282 2.719 . 0 0 "[ . 1 . 2]" 4
569 1 17 LYS QB 1 18 ASN H 3.110 . 3.110 2.524 2.323 2.740 . 0 0 "[ . 1 . 2]" 4
570 1 58 GLN H 1 58 GLN QB 3.290 . 3.290 2.229 2.063 2.316 . 0 0 "[ . 1 . 2]" 4
571 1 81 MET H 1 85 MET ME 5.000 . 5.000 4.883 4.243 5.088 0.088 11 0 "[ . 1 . 2]" 4
572 1 79 VAL H 1 79 VAL HB 4.060 . 4.060 2.679 2.191 3.703 . 0 0 "[ . 1 . 2]" 4
573 1 48 LEU H 1 48 LEU QB 3.160 . 3.160 2.352 2.215 2.456 . 0 0 "[ . 1 . 2]" 4
574 1 82 VAL H 1 82 VAL MG2 4.560 . 4.560 2.409 2.003 3.649 . 0 0 "[ . 1 . 2]" 4
575 1 78 LEU HG 1 79 VAL H 6.000 . 6.000 4.145 2.910 4.842 . 0 0 "[ . 1 . 2]" 4
576 1 32 GLU H 1 33 ASP H 4.470 . 4.470 2.592 2.299 2.759 . 0 0 "[ . 1 . 2]" 4
577 1 62 ASP H 1 63 GLU H 4.090 . 4.090 2.774 2.600 3.145 . 0 0 "[ . 1 . 2]" 4
578 1 44 VAL H 1 45 MET H 4.140 . 4.140 2.731 2.586 2.879 . 0 0 "[ . 1 . 2]" 4
579 1 10 GLU H 1 11 GLN H 3.590 . 3.590 2.621 2.493 2.815 . 0 0 "[ . 1 . 2]" 4
580 1 51 ASN H 1 52 PRO HA 4.590 . 4.590 4.528 4.346 4.679 0.089 9 0 "[ . 1 . 2]" 4
581 1 81 MET HA 1 84 CYS H 4.850 . 4.850 3.536 3.137 4.205 . 0 0 "[ . 1 . 2]" 4
582 1 63 GLU H 1 63 GLU HB2 3.800 . 3.800 2.489 2.136 3.398 . 0 0 "[ . 1 . 2]" 4
583 1 11 GLN H 1 11 GLN HG2 4.320 . 4.320 3.305 2.189 3.827 . 0 0 "[ . 1 . 2]" 4
584 1 11 GLN H 1 11 GLN HG3 4.320 . 4.320 2.720 2.272 3.771 . 0 0 "[ . 1 . 2]" 4
585 1 50 GLN QG 1 51 ASN H 5.270 . 5.270 4.075 3.522 4.567 . 0 0 "[ . 1 . 2]" 4
586 1 32 GLU QB 1 33 ASP H 4.170 . 4.170 2.885 2.443 3.746 . 0 0 "[ . 1 . 2]" 4
587 1 66 GLU HB2 1 67 ASP H 5.060 . 5.060 3.591 2.659 4.457 . 0 0 "[ . 1 . 2]" 4
588 1 66 GLU HB3 1 67 ASP H 5.060 . 5.060 3.358 2.678 4.249 . 0 0 "[ . 1 . 2]" 4
589 1 53 THR H 1 56 GLU H 5.040 . 5.040 4.327 3.459 4.650 . 0 0 "[ . 1 . 2]" 4
590 1 12 LEU HA 1 13 THR H 3.160 . 3.160 2.223 2.086 2.301 . 0 0 "[ . 1 . 2]" 4
591 1 13 THR H 1 13 THR MG 3.820 . 3.820 2.324 1.826 3.737 . 0 0 "[ . 1 . 2]" 4
592 1 53 THR H 1 53 THR MG 3.950 . 3.950 3.449 2.877 3.784 . 0 0 "[ . 1 . 2]" 4
593 1 31 ALA MB 1 35 CYS H 3.960 . 3.960 3.599 2.764 4.071 0.111 11 0 "[ . 1 . 2]" 4
594 1 37 SER HB3 1 38 THR H 4.540 . 4.540 4.213 3.546 4.558 0.018 1 0 "[ . 1 . 2]" 4
595 1 37 SER HB2 1 38 THR H 4.540 . 4.540 4.144 2.536 4.570 0.030 10 0 "[ . 1 . 2]" 4
596 1 68 GLY H 1 69 SER H 3.590 . 3.590 2.541 2.380 2.783 . 0 0 "[ . 1 . 2]" 4
597 1 67 ASP H 1 68 GLY H 3.380 . 3.380 2.608 2.358 2.838 . 0 0 "[ . 1 . 2]" 4
598 1 66 GLU HA 1 68 GLY H 4.210 . 4.210 3.798 3.562 4.218 0.008 1 0 "[ . 1 . 2]" 4
599 1 49 GLY H 1 50 GLN H 3.280 . 3.280 2.155 1.788 2.684 0.012 15 0 "[ . 1 . 2]" 4
600 1 48 LEU H 1 49 GLY H 3.530 . 3.530 2.591 2.373 2.759 . 0 0 "[ . 1 . 2]" 4
601 1 48 LEU HG 1 49 GLY H 5.100 . 5.100 4.439 4.281 4.687 . 0 0 "[ . 1 . 2]" 4
602 1 49 GLY H 1 50 GLN QG 5.510 . 5.510 4.312 3.735 4.848 . 0 0 "[ . 1 . 2]" 4
603 1 48 LEU QB 1 49 GLY H 4.040 . 4.040 2.753 2.506 3.402 . 0 0 "[ . 1 . 2]" 4
604 1 71 THR H 1 71 THR MG 4.270 . 4.270 3.078 2.793 3.959 . 0 0 "[ . 1 . 2]" 4
605 1 61 ILE MG 1 71 THR H 4.030 . 4.030 3.656 3.154 4.111 0.081 2 0 "[ . 1 . 2]" 4
606 1 33 ASP H 1 34 GLY H 3.730 . 3.730 2.675 2.208 3.593 . 0 0 "[ . 1 . 2]" 4
607 1 31 ALA MB 1 34 GLY H 4.120 . 4.120 2.651 2.146 4.140 0.020 17 0 "[ . 1 . 2]" 4
608 1 69 SER H 1 70 GLY H 4.140 . 4.140 2.397 2.341 2.451 . 0 0 "[ . 1 . 2]" 4
609 1 70 GLY H 1 71 THR H 3.870 . 3.870 2.528 2.435 2.685 . 0 0 "[ . 1 . 2]" 4
610 1 4 ILE QG 1 5 TYR QB 4.500 . 4.500 3.587 3.327 4.020 . 0 0 "[ . 1 . 2]" 4
611 1 5 TYR H 1 5 TYR QB 3.470 . 3.470 2.439 2.229 2.586 . 0 0 "[ . 1 . 2]" 4
612 1 5 TYR H 1 79 VAL QG 5.610 . 5.610 4.535 3.937 5.232 . 0 0 "[ . 1 . 2]" 4
613 1 5 TYR HA 1 82 VAL QG 4.510 . 4.510 2.511 1.953 3.454 . 0 0 "[ . 1 . 2]" 4
614 1 5 TYR QB 1 6 LYS H 3.840 . 3.840 2.586 2.294 2.819 . 0 0 "[ . 1 . 2]" 4
615 1 5 TYR QB 1 79 VAL QG 3.900 . 3.900 2.256 1.800 3.200 0.000 11 0 "[ . 1 . 2]" 4
616 1 5 TYR QB 1 82 VAL QG 4.050 . 4.050 2.838 2.115 3.716 . 0 0 "[ . 1 . 2]" 4
617 1 5 TYR QE 1 82 VAL QG 4.630 . 4.630 3.703 2.638 4.272 . 0 0 "[ . 1 . 2]" 4
618 1 6 LYS HA 1 9 VAL QG 3.480 . 3.480 2.643 1.879 3.536 0.056 8 0 "[ . 1 . 2]" 4
619 1 6 LYS HA 1 79 VAL QG 4.820 . 4.820 2.980 1.970 3.598 . 0 0 "[ . 1 . 2]" 4
620 1 6 LYS QB 1 79 VAL QG 4.000 . 4.000 3.492 2.299 4.357 0.357 18 0 "[ . 1 . 2]" 4
621 1 6 LYS QG 1 79 VAL QG 5.170 . 5.170 3.356 1.859 4.182 . 0 0 "[ . 1 . 2]" 4
622 1 6 LYS QE 1 9 VAL QG 4.870 . 4.870 4.518 3.919 4.935 0.065 4 0 "[ . 1 . 2]" 4
623 1 6 LYS QE 1 79 VAL QG 5.300 . 5.300 4.365 2.548 5.402 0.102 9 0 "[ . 1 . 2]" 4
624 1 8 ALA H 1 9 VAL QG 4.050 . 4.050 4.013 3.760 4.287 0.237 7 0 "[ . 1 . 2]" 4
625 1 8 ALA HA 1 11 GLN QB 4.670 . 4.670 3.505 2.589 4.326 . 0 0 "[ . 1 . 2]" 4
626 1 8 ALA HA 1 11 GLN QG 4.360 . 4.360 2.901 2.167 3.610 . 0 0 "[ . 1 . 2]" 4
627 1 8 ALA MB 1 82 VAL QG 2.770 . 2.770 1.865 1.734 2.081 0.066 14 0 "[ . 1 . 2]" 4
628 1 9 VAL H 1 9 VAL QG 3.360 . 3.360 2.218 1.892 2.649 . 0 0 "[ . 1 . 2]" 4
629 1 9 VAL QG 1 10 GLU HA 4.340 . 4.340 3.396 3.049 3.824 . 0 0 "[ . 1 . 2]" 4
630 1 9 VAL QG 1 12 LEU H 4.180 . 4.180 3.911 3.694 4.135 . 0 0 "[ . 1 . 2]" 4
631 1 9 VAL QG 1 17 LYS HA 4.960 . 4.960 4.556 3.844 5.250 0.290 6 0 "[ . 1 . 2]" 4
632 1 9 VAL QG 1 17 LYS QD 4.280 . 4.280 2.750 1.887 3.878 . 0 0 "[ . 1 . 2]" 4
633 1 9 VAL QG 1 17 LYS QE 4.430 . 4.430 2.555 1.743 3.786 0.057 12 0 "[ . 1 . 2]" 4
634 1 9 VAL QG 1 78 LEU QD 4.020 . 4.020 1.848 1.690 2.234 0.110 6 0 "[ . 1 . 2]" 4
635 1 9 VAL QG 1 79 VAL H 5.420 . 5.420 4.677 3.465 5.490 0.070 7 0 "[ . 1 . 2]" 4
636 1 9 VAL QG 1 79 VAL HA 4.510 . 4.510 3.625 2.909 4.646 0.136 7 0 "[ . 1 . 2]" 4
637 1 11 GLN H 1 11 GLN QB 3.260 . 3.260 2.419 2.358 2.555 . 0 0 "[ . 1 . 2]" 4
638 1 11 GLN H 1 11 GLN QG 3.630 . 3.630 2.355 2.173 2.577 . 0 0 "[ . 1 . 2]" 4
639 1 11 GLN QB 1 12 LEU H 3.110 . 3.110 2.782 2.623 2.988 . 0 0 "[ . 1 . 2]" 4
640 1 11 GLN QB 1 12 LEU HA 4.260 . 4.260 4.010 3.923 4.094 . 0 0 "[ . 1 . 2]" 4
641 1 12 LEU H 1 12 LEU QB 3.190 . 3.190 2.398 2.281 2.528 . 0 0 "[ . 1 . 2]" 4
642 1 12 LEU H 1 12 LEU QD 3.770 . 3.770 2.859 1.796 3.209 0.004 8 0 "[ . 1 . 2]" 4
643 1 12 LEU HA 1 12 LEU QD 3.310 . 3.310 2.242 2.005 3.001 . 0 0 "[ . 1 . 2]" 4
644 1 12 LEU QB 1 13 THR H 3.330 . 3.330 2.929 2.656 3.257 . 0 0 "[ . 1 . 2]" 4
645 1 12 LEU QB 1 16 GLN QG 4.170 . 4.170 3.612 2.881 4.271 0.101 1 0 "[ . 1 . 2]" 4
646 1 12 LEU QD 1 13 THR H 4.460 . 4.460 3.465 3.007 4.169 . 0 0 "[ . 1 . 2]" 4
647 1 12 LEU QD 1 16 GLN QB 3.900 . 3.900 2.754 2.014 3.451 . 0 0 "[ . 1 . 2]" 4
648 1 12 LEU QD 1 16 GLN QG 3.950 . 3.950 3.090 2.096 3.933 . 0 0 "[ . 1 . 2]" 4
649 1 12 LEU QD 1 17 LYS HA 5.130 . 5.130 3.966 2.774 4.709 . 0 0 "[ . 1 . 2]" 4
650 1 12 LEU QD 1 20 PHE QE 3.930 . 3.930 2.669 2.035 3.624 . 0 0 "[ . 1 . 2]" 4
651 1 12 LEU QD 1 85 MET ME 3.010 . 3.010 2.737 2.056 3.218 0.208 7 0 "[ . 1 . 2]" 4
652 1 13 THR H 1 16 GLN QG 3.320 . 3.320 3.093 2.419 3.528 0.208 20 0 "[ . 1 . 2]" 4
653 1 15 GLU H 1 15 GLU QB 3.050 . 3.050 2.418 2.256 2.645 . 0 0 "[ . 1 . 2]" 4
654 1 15 GLU QB 1 16 GLN H 4.460 . 4.460 2.576 2.351 2.868 . 0 0 "[ . 1 . 2]" 4
655 1 15 GLU QB 1 16 GLN HA 4.480 . 4.480 3.935 3.835 4.029 . 0 0 "[ . 1 . 2]" 4
656 1 16 GLN HA 1 16 GLN QG 3.420 . 3.420 2.324 2.055 2.997 . 0 0 "[ . 1 . 2]" 4
657 1 17 LYS H 1 17 LYS QG 4.270 . 4.270 2.842 2.163 3.966 . 0 0 "[ . 1 . 2]" 4
658 1 17 LYS HA 1 17 LYS QG 3.600 . 3.600 2.263 2.000 2.397 . 0 0 "[ . 1 . 2]" 4
659 1 17 LYS QG 1 78 LEU QD 4.680 . 4.680 3.304 2.449 4.269 . 0 0 "[ . 1 . 2]" 4
660 1 19 GLU HA 1 19 GLU QG 3.700 . 3.700 2.639 2.143 3.390 . 0 0 "[ . 1 . 2]" 4
661 1 20 PHE H 1 20 PHE QB 3.670 . 3.670 2.052 1.985 2.107 . 0 0 "[ . 1 . 2]" 4
662 1 20 PHE H 1 21 LYS QB 5.580 . 5.580 4.587 4.247 5.044 . 0 0 "[ . 1 . 2]" 4
663 1 20 PHE QB 1 21 LYS H 4.170 . 4.170 2.296 2.114 2.407 . 0 0 "[ . 1 . 2]" 4
664 1 20 PHE QB 1 78 LEU QD 4.140 . 4.140 3.279 2.420 4.252 0.112 6 0 "[ . 1 . 2]" 4
665 1 20 PHE QD 1 78 LEU QD 4.080 . 4.080 2.859 2.423 3.482 . 0 0 "[ . 1 . 2]" 4
666 1 21 LYS H 1 21 LYS QB 3.430 . 3.430 2.313 2.114 2.553 . 0 0 "[ . 1 . 2]" 4
667 1 21 LYS HA 1 24 PHE QB 3.320 . 3.320 2.218 1.957 2.547 . 0 0 "[ . 1 . 2]" 4
668 1 21 LYS QB 1 22 ALA H 3.560 . 3.560 3.022 2.454 3.755 0.195 14 0 "[ . 1 . 2]" 4
669 1 22 ALA H 1 24 PHE QB 5.330 . 5.330 4.577 4.390 4.820 . 0 0 "[ . 1 . 2]" 4
670 1 24 PHE H 1 24 PHE QB 3.610 . 3.610 2.251 2.150 2.320 . 0 0 "[ . 1 . 2]" 4
671 1 24 PHE QB 1 25 ASP H 4.290 . 4.290 2.623 2.479 2.909 . 0 0 "[ . 1 . 2]" 4
672 1 24 PHE QB 1 36 ILE MD 5.130 . 5.130 4.571 3.927 5.186 0.056 9 0 "[ . 1 . 2]" 4
673 1 25 ASP H 1 25 ASP QB 3.570 . 3.570 2.325 2.217 2.484 . 0 0 "[ . 1 . 2]" 4
674 1 25 ASP QB 1 27 PHE H 5.810 . 5.810 4.791 4.466 5.154 . 0 0 "[ . 1 . 2]" 4
675 1 26 ILE HA 1 29 LEU QD 4.020 . 4.020 2.414 2.005 2.878 . 0 0 "[ . 1 . 2]" 4
676 1 27 PHE QB 1 36 ILE MD 4.380 . 4.380 2.850 1.923 3.635 . 0 0 "[ . 1 . 2]" 4
677 1 28 VAL HA 1 40 GLU QG 4.160 . 4.160 3.447 1.834 4.205 0.045 5 0 "[ . 1 . 2]" 4
678 1 29 LEU H 1 29 LEU QB 3.350 . 3.350 2.588 2.075 3.195 . 0 0 "[ . 1 . 2]" 4
679 1 29 LEU HA 1 29 LEU QD 3.500 . 3.500 2.375 1.961 3.327 . 0 0 "[ . 1 . 2]" 4
680 1 31 ALA MB 1 40 GLU QG 4.380 . 4.380 2.859 1.769 4.049 0.031 13 0 "[ . 1 . 2]" 4
681 1 35 CYS H 1 35 CYS QB 3.640 . 3.640 2.912 2.391 3.538 . 0 0 "[ . 1 . 2]" 4
682 1 35 CYS QB 1 36 ILE H 4.110 . 4.110 2.576 1.982 3.265 . 0 0 "[ . 1 . 2]" 4
683 1 35 CYS QB 1 71 THR HB 4.200 . 4.200 3.689 2.988 4.264 0.064 11 0 "[ . 1 . 2]" 4
684 1 35 CYS QB 1 73 ASP H 4.300 . 4.300 3.951 3.214 4.393 0.093 11 0 "[ . 1 . 2]" 4
685 1 35 CYS QB 1 73 ASP HA 4.520 . 4.520 2.279 1.941 3.300 . 0 0 "[ . 1 . 2]" 4
686 1 36 ILE MG 1 41 LEU QB 3.570 . 3.570 2.211 1.950 3.192 . 0 0 "[ . 1 . 2]" 4
687 1 36 ILE MG 1 44 VAL QG 4.290 . 4.290 3.714 3.120 4.238 . 0 0 "[ . 1 . 2]" 4
688 1 36 ILE MD 1 77 PHE QB 4.930 . 4.930 3.478 2.707 4.072 . 0 0 "[ . 1 . 2]" 4
689 1 37 SER QB 1 38 THR H 3.770 . 3.770 3.680 2.504 3.967 0.197 19 0 "[ . 1 . 2]" 4
690 1 37 SER QB 1 39 LYS H 4.990 . 4.990 3.317 2.898 3.859 . 0 0 "[ . 1 . 2]" 4
691 1 37 SER QB 1 71 THR MG 4.380 . 4.380 3.576 2.408 4.418 0.038 12 0 "[ . 1 . 2]" 4
692 1 38 THR MG 1 57 LEU QB 3.650 . 3.650 3.694 3.485 3.885 0.235 6 0 "[ . 1 . 2]" 4
693 1 39 LYS H 1 39 LYS QB 3.300 . 3.300 2.324 2.181 2.604 . 0 0 "[ . 1 . 2]" 4
694 1 39 LYS QB 1 40 GLU H 3.370 . 3.370 2.445 2.205 3.351 . 0 0 "[ . 1 . 2]" 4
695 1 39 LYS QB 1 40 GLU HA 4.390 . 4.390 4.065 3.846 4.343 . 0 0 "[ . 1 . 2]" 4
696 1 41 LEU H 1 41 LEU QB 3.460 . 3.460 2.264 2.081 2.351 . 0 0 "[ . 1 . 2]" 4
697 1 41 LEU HA 1 44 VAL QG 3.590 . 3.590 3.218 2.382 3.761 0.171 17 0 "[ . 1 . 2]" 4
698 1 41 LEU QB 1 42 GLY H 4.230 . 4.230 2.721 2.570 2.997 . 0 0 "[ . 1 . 2]" 4
699 1 41 LEU QB 1 44 VAL QG 4.420 . 4.420 3.875 3.614 4.138 . 0 0 "[ . 1 . 2]" 4
700 1 41 LEU QB 1 57 LEU QD 3.170 . 3.170 2.362 1.944 3.049 . 0 0 "[ . 1 . 2]" 4
701 1 41 LEU HG 1 57 LEU QD 3.780 . 3.780 2.266 1.804 3.895 0.115 3 0 "[ . 1 . 2]" 4
702 1 41 LEU QD 1 42 GLY QA 4.140 . 4.140 4.049 3.385 4.234 0.094 13 0 "[ . 1 . 2]" 4
703 1 41 LEU QD 1 43 LYS H 4.240 . 4.240 4.297 4.054 4.494 0.254 9 0 "[ . 1 . 2]" 4
704 1 41 LEU QD 1 44 VAL H 3.830 . 3.830 3.187 2.849 3.481 . 0 0 "[ . 1 . 2]" 4
705 1 41 LEU QD 1 44 VAL HB 3.290 . 3.290 2.130 1.813 2.799 . 0 0 "[ . 1 . 2]" 4
706 1 41 LEU QD 1 45 MET QG 4.800 . 4.800 3.907 3.097 4.250 . 0 0 "[ . 1 . 2]" 4
707 1 41 LEU QD 1 61 ILE HA 4.210 . 4.210 3.729 3.450 4.260 0.050 15 0 "[ . 1 . 2]" 4
708 1 42 GLY QA 1 45 MET QB 4.270 . 4.270 3.105 2.142 3.739 . 0 0 "[ . 1 . 2]" 4
709 1 42 GLY QA 1 57 LEU QD 3.340 . 3.340 2.067 1.873 2.608 . 0 0 "[ . 1 . 2]" 4
710 1 43 LYS H 1 43 LYS QB 3.390 . 3.390 2.316 2.063 2.548 . 0 0 "[ . 1 . 2]" 4
711 1 43 LYS H 1 43 LYS QG 3.990 . 3.990 2.644 2.066 4.011 0.021 20 0 "[ . 1 . 2]" 4
712 1 43 LYS H 1 43 LYS QD 5.180 . 5.180 3.523 1.977 4.391 . 0 0 "[ . 1 . 2]" 4
713 1 43 LYS H 1 44 VAL QG 4.660 . 4.660 4.165 3.880 4.475 . 0 0 "[ . 1 . 2]" 4
714 1 43 LYS HA 1 43 LYS QD 4.400 . 4.400 3.019 1.918 3.990 . 0 0 "[ . 1 . 2]" 4
715 1 44 VAL H 1 44 VAL QG 3.720 . 3.720 2.487 2.189 2.770 . 0 0 "[ . 1 . 2]" 4
716 1 44 VAL HA 1 44 VAL QG 2.990 . 2.990 2.059 1.980 2.202 . 0 0 "[ . 1 . 2]" 4
717 1 44 VAL QG 1 45 MET H 4.570 . 4.570 2.614 1.788 3.188 0.012 10 0 "[ . 1 . 2]" 4
718 1 44 VAL QG 1 45 MET HA 4.280 . 4.280 3.097 2.844 3.439 . 0 0 "[ . 1 . 2]" 4
719 1 44 VAL QG 1 47 MET ME 3.870 . 3.870 2.040 1.771 2.955 0.029 9 0 "[ . 1 . 2]" 4
720 1 44 VAL QG 1 48 LEU H 4.950 . 4.950 4.059 3.351 4.444 . 0 0 "[ . 1 . 2]" 4
721 1 45 MET H 1 45 MET QB 3.600 . 3.600 2.307 2.087 2.575 . 0 0 "[ . 1 . 2]" 4
722 1 45 MET H 1 45 MET QG 3.800 . 3.800 2.533 2.146 3.635 . 0 0 "[ . 1 . 2]" 4
723 1 45 MET QB 1 52 PRO QD 4.200 . 4.200 2.343 1.891 3.665 . 0 0 "[ . 1 . 2]" 4
724 1 45 MET QG 1 52 PRO QG 4.420 . 4.420 2.599 1.828 4.034 . 0 0 "[ . 1 . 2]" 4
725 1 45 MET ME 1 50 GLN QB 3.650 . 3.650 2.604 1.882 3.314 . 0 0 "[ . 1 . 2]" 4
726 1 46 ARG H 1 46 ARG QG 4.190 . 4.190 3.500 2.249 4.065 . 0 0 "[ . 1 . 2]" 4
727 1 46 ARG QB 1 46 ARG QD 3.270 . 3.270 2.214 2.066 2.332 . 0 0 "[ . 1 . 2]" 4
728 1 47 MET H 1 47 MET QB 3.330 . 3.330 2.529 2.090 3.037 . 0 0 "[ . 1 . 2]" 4
729 1 47 MET H 1 47 MET QG 3.690 . 3.690 2.599 1.699 3.892 0.202 20 0 "[ . 1 . 2]" 4
730 1 47 MET QB 1 47 MET ME 3.720 . 3.720 2.038 1.799 2.566 0.001 13 0 "[ . 1 . 2]" 4
731 1 47 MET QB 1 48 LEU H 4.420 . 4.420 2.613 2.287 3.432 . 0 0 "[ . 1 . 2]" 4
732 1 48 LEU H 1 48 LEU QD 4.200 . 4.200 3.140 3.058 3.228 . 0 0 "[ . 1 . 2]" 4
733 1 48 LEU HA 1 48 LEU QD 3.260 . 3.260 2.041 1.860 2.190 . 0 0 "[ . 1 . 2]" 4
734 1 50 GLN H 1 50 GLN QB 3.650 . 3.650 2.480 2.251 2.833 . 0 0 "[ . 1 . 2]" 4
735 1 50 GLN H 1 52 PRO QD 4.940 . 4.940 4.300 3.891 4.540 . 0 0 "[ . 1 . 2]" 4
736 1 50 GLN QB 1 52 PRO QD 3.730 . 3.730 2.008 1.820 2.455 . 0 0 "[ . 1 . 2]" 4
737 1 51 ASN HA 1 52 PRO QD 3.200 . 3.200 2.354 2.201 2.586 . 0 0 "[ . 1 . 2]" 4
738 1 53 THR H 1 56 GLU QB 3.810 . 3.810 3.084 2.403 3.368 . 0 0 "[ . 1 . 2]" 4
739 1 53 THR MG 1 54 PRO QD 4.080 . 4.080 2.021 1.825 2.548 . 0 0 "[ . 1 . 2]" 4
740 1 54 PRO HA 1 57 LEU QD 3.530 . 3.530 2.990 2.251 3.587 0.057 16 0 "[ . 1 . 2]" 4
741 1 54 PRO QB 1 55 GLU H 4.090 . 4.090 2.712 2.498 3.367 . 0 0 "[ . 1 . 2]" 4
742 1 54 PRO QD 1 55 GLU H 3.490 . 3.490 2.715 2.643 2.948 . 0 0 "[ . 1 . 2]" 4
743 1 55 GLU HA 1 55 GLU QG 3.190 . 3.190 2.578 2.183 3.309 0.119 10 0 "[ . 1 . 2]" 4
744 1 56 GLU H 1 56 GLU QB 2.940 . 2.940 2.290 2.152 2.468 . 0 0 "[ . 1 . 2]" 4
745 1 56 GLU QB 1 57 LEU H 3.800 . 3.800 2.765 2.496 3.150 . 0 0 "[ . 1 . 2]" 4
746 1 56 GLU QB 1 57 LEU QD 3.920 . 3.920 3.279 2.593 4.075 0.155 20 0 "[ . 1 . 2]" 4
747 1 57 LEU H 1 57 LEU QD 4.140 . 4.140 2.558 1.840 3.359 . 0 0 "[ . 1 . 2]" 4
748 1 57 LEU HA 1 57 LEU QD 3.200 . 3.200 1.897 1.797 2.010 0.003 4 0 "[ . 1 . 2]" 4
749 1 57 LEU HA 1 60 MET QG 4.220 . 4.220 3.174 2.413 4.126 . 0 0 "[ . 1 . 2]" 4
750 1 57 LEU QD 1 60 MET QB 4.620 . 4.620 3.108 2.580 3.836 . 0 0 "[ . 1 . 2]" 4
751 1 57 LEU QD 1 60 MET ME 3.060 . 3.060 2.235 1.810 2.865 . 0 0 "[ . 1 . 2]" 4
752 1 58 GLN H 1 58 GLN QG 4.600 . 4.600 3.871 3.003 4.098 . 0 0 "[ . 1 . 2]" 4
753 1 58 GLN HA 1 58 GLN HE22 4.290 . 4.290 3.923 3.363 4.532 0.242 17 0 "[ . 1 . 2]" 4
754 1 58 GLN QB 1 58 GLN HE22 4.290 . 4.290 4.015 3.248 4.366 0.076 3 0 "[ . 1 . 2]" 4
755 1 58 GLN HE22 1 58 GLN QG 3.630 . 3.630 3.324 3.242 3.531 . 0 0 "[ . 1 . 2]" 4
756 1 58 GLN HE22 1 61 ILE MG 4.670 . 4.670 3.000 1.835 4.394 . 0 0 "[ . 1 . 2]" 4
757 1 59 GLU H 1 59 GLU QG 4.900 . 4.900 2.388 2.134 3.791 . 0 0 "[ . 1 . 2]" 4
758 1 59 GLU H 1 62 ASP QB 5.810 . 5.810 4.632 4.126 5.144 . 0 0 "[ . 1 . 2]" 4
759 1 59 GLU HA 1 62 ASP QB 3.670 . 3.670 2.338 1.836 2.990 . 0 0 "[ . 1 . 2]" 4
760 1 59 GLU QG 1 60 MET H 5.230 . 5.230 4.233 4.002 4.599 . 0 0 "[ . 1 . 2]" 4
761 1 60 MET H 1 60 MET QG 3.640 . 3.640 2.325 2.048 2.626 . 0 0 "[ . 1 . 2]" 4
762 1 60 MET QB 1 60 MET QG 2.360 . 2.360 2.103 2.061 2.142 . 0 0 "[ . 1 . 2]" 4
763 1 60 MET QB 1 60 MET ME 2.930 . 2.930 1.986 1.818 2.121 . 0 0 "[ . 1 . 2]" 4
764 1 60 MET QB 1 61 ILE H 3.830 . 3.830 2.573 2.351 2.744 . 0 0 "[ . 1 . 2]" 4
765 1 60 MET ME 1 60 MET QG 3.430 . 3.430 2.426 2.184 2.618 . 0 0 "[ . 1 . 2]" 4
766 1 61 ILE H 1 64 VAL QG 4.660 . 4.660 4.423 3.836 4.676 0.016 20 0 "[ . 1 . 2]" 4
767 1 61 ILE HA 1 64 VAL QG 4.030 . 4.030 2.960 1.836 3.336 . 0 0 "[ . 1 . 2]" 4
768 1 61 ILE MG 1 65 ASP QB 3.780 . 3.780 2.081 1.803 2.589 . 0 0 "[ . 1 . 2]" 4
769 1 61 ILE MG 1 70 GLY QA 3.500 . 3.500 2.845 2.036 3.212 . 0 0 "[ . 1 . 2]" 4
770 1 61 ILE QG 1 64 VAL QG 3.980 . 3.980 3.819 3.050 4.113 0.133 11 0 "[ . 1 . 2]" 4
771 1 62 ASP HA 1 65 ASP QB 3.500 . 3.500 2.884 2.568 3.187 . 0 0 "[ . 1 . 2]" 4
772 1 62 ASP QB 1 63 GLU H 4.110 . 4.110 2.585 2.256 2.971 . 0 0 "[ . 1 . 2]" 4
773 1 63 GLU H 1 63 GLU QB 3.320 . 3.320 2.288 2.091 2.429 . 0 0 "[ . 1 . 2]" 4
774 1 63 GLU H 1 63 GLU QG 4.080 . 4.080 3.146 2.203 3.993 . 0 0 "[ . 1 . 2]" 4
775 1 63 GLU H 1 64 VAL QG 4.840 . 4.840 4.063 3.582 4.286 . 0 0 "[ . 1 . 2]" 4
776 1 64 VAL H 1 64 VAL QG 3.530 . 3.530 2.305 1.849 2.530 . 0 0 "[ . 1 . 2]" 4
777 1 64 VAL QG 1 80 MET QB 4.390 . 4.390 4.213 3.540 4.533 0.143 14 0 "[ . 1 . 2]" 4
778 1 64 VAL QG 1 80 MET ME 4.230 . 4.230 2.055 1.808 2.784 . 0 0 "[ . 1 . 2]" 4
779 1 65 ASP H 1 65 ASP QB 3.610 . 3.610 2.354 2.214 2.814 . 0 0 "[ . 1 . 2]" 4
780 1 66 GLU H 1 66 GLU QB 3.630 . 3.630 2.313 2.063 2.541 . 0 0 "[ . 1 . 2]" 4
781 1 66 GLU QB 1 67 ASP H 4.290 . 4.290 2.931 2.591 3.656 . 0 0 "[ . 1 . 2]" 4
782 1 72 VAL MG1 1 76 GLU QB 3.650 . 3.650 3.453 2.773 3.780 0.130 17 0 "[ . 1 . 2]" 4
783 1 72 VAL MG1 1 77 PHE QB 4.330 . 4.330 4.061 2.329 4.556 0.226 17 0 "[ . 1 . 2]" 4
784 1 73 ASP QB 1 74 PHE H 3.660 . 3.660 2.683 2.021 3.324 . 0 0 "[ . 1 . 2]" 4
785 1 74 PHE H 1 74 PHE QB 3.580 . 3.580 2.283 2.210 2.339 . 0 0 "[ . 1 . 2]" 4
786 1 74 PHE QB 1 75 ASP H 3.840 . 3.840 2.524 2.383 2.723 . 0 0 "[ . 1 . 2]" 4
787 1 75 ASP H 1 75 ASP QB 3.430 . 3.430 2.356 2.125 2.770 . 0 0 "[ . 1 . 2]" 4
788 1 75 ASP HA 1 78 LEU QB 4.330 . 4.330 2.913 2.185 3.532 . 0 0 "[ . 1 . 2]" 4
789 1 75 ASP QB 1 76 GLU H 4.370 . 4.370 2.806 2.347 3.579 . 0 0 "[ . 1 . 2]" 4
790 1 76 GLU H 1 76 GLU QG 4.210 . 4.210 2.841 2.281 3.995 . 0 0 "[ . 1 . 2]" 4
791 1 76 GLU QB 1 77 PHE HA 4.440 . 4.440 3.863 3.604 4.120 . 0 0 "[ . 1 . 2]" 4
792 1 77 PHE H 1 77 PHE QB 3.650 . 3.650 2.197 2.046 2.331 . 0 0 "[ . 1 . 2]" 4
793 1 78 LEU H 1 78 LEU QB 3.500 . 3.500 2.166 2.045 2.271 . 0 0 "[ . 1 . 2]" 4
794 1 78 LEU H 1 78 LEU QD 4.140 . 4.140 3.401 3.002 3.734 . 0 0 "[ . 1 . 2]" 4
795 1 78 LEU HA 1 78 LEU QD 3.170 . 3.170 1.965 1.781 2.143 0.019 11 0 "[ . 1 . 2]" 4
796 1 78 LEU HA 1 81 MET QB 4.330 . 4.330 3.831 2.985 4.323 . 0 0 "[ . 1 . 2]" 4
797 1 78 LEU QB 1 78 LEU QD 2.660 . 2.660 2.007 1.898 2.072 . 0 0 "[ . 1 . 2]" 4
798 1 78 LEU QB 1 79 VAL H 4.130 . 4.130 2.218 1.856 2.545 . 0 0 "[ . 1 . 2]" 4
799 1 78 LEU QD 1 79 VAL H 4.150 . 4.150 3.468 3.039 3.786 . 0 0 "[ . 1 . 2]" 4
800 1 78 LEU QD 1 79 VAL HA 3.470 . 3.470 3.427 2.886 3.864 0.394 8 0 "[ . 1 . 2]" 4
801 1 78 LEU QD 1 81 MET QB 5.400 . 5.400 4.188 3.105 4.966 . 0 0 "[ . 1 . 2]" 4
802 1 79 VAL H 1 82 VAL QG 5.920 . 5.920 4.397 4.003 5.043 . 0 0 "[ . 1 . 2]" 4
803 1 79 VAL HA 1 82 VAL QG 2.960 . 2.960 2.486 2.072 3.140 0.180 18 0 "[ . 1 . 2]" 4
804 1 80 MET QB 1 80 MET ME 3.550 . 3.550 2.049 1.835 3.571 0.021 17 0 "[ . 1 . 2]" 4
805 1 80 MET ME 1 81 MET QB 3.640 . 3.640 3.512 2.573 3.842 0.202 2 0 "[ . 1 . 2]" 4
806 1 81 MET H 1 81 MET QB 3.630 . 3.630 2.233 2.090 2.352 . 0 0 "[ . 1 . 2]" 4
807 1 81 MET HA 1 84 CYS QB 4.440 . 4.440 3.476 2.531 4.305 . 0 0 "[ . 1 . 2]" 4
808 1 81 MET QB 1 82 VAL H 4.230 . 4.230 2.956 2.692 3.334 . 0 0 "[ . 1 . 2]" 4
809 1 81 MET QB 1 85 MET ME 4.530 . 4.530 2.783 2.082 3.198 . 0 0 "[ . 1 . 2]" 4
810 1 82 VAL H 1 82 VAL QG 3.440 . 3.440 2.288 1.787 2.903 0.013 9 0 "[ . 1 . 2]" 4
811 1 82 VAL QG 1 83 ARG H 4.320 . 4.320 3.206 2.278 3.540 . 0 0 "[ . 1 . 2]" 4
812 1 83 ARG H 1 83 ARG QG 4.070 . 4.070 2.284 1.711 2.561 0.089 2 0 "[ . 1 . 2]" 4
813 1 83 ARG HA 1 83 ARG QG 3.620 . 3.620 2.470 2.234 3.194 . 0 0 "[ . 1 . 2]" 4
814 1 83 ARG QB 1 84 CYS H 4.380 . 4.380 2.595 2.412 2.772 . 0 0 "[ . 1 . 2]" 4
815 1 85 MET H 1 85 MET QB 3.390 . 3.390 2.364 2.206 2.455 . 0 0 "[ . 1 . 2]" 4
816 1 86 LYS H 1 86 LYS QB 3.470 . 3.470 2.314 2.139 2.538 . 0 0 "[ . 1 . 2]" 4
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