Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
638513 | 6nzn RC | 30572 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6nzn
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 464
_NOE_completeness_stats.Total_atom_count 7488
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 2640
_NOE_completeness_stats.Use_intra_residue_restraints no
_NOE_completeness_stats.Redundancy_threshold_pct 5.0
_NOE_completeness_stats.Distance_averaging_power 1.00
_NOE_completeness_stats.Completeness_cutoff 4.00
_NOE_completeness_stats.Completeness_cumulative_pct 0.0
_NOE_completeness_stats.Constraint_unexpanded_count 581
_NOE_completeness_stats.Constraint_count 581
_NOE_completeness_stats.Constraint_exp_unfiltered_count 5291
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 581
_NOE_completeness_stats.Constraint_intraresidue_count 0
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 0
_NOE_completeness_stats.Constraint_expected_count 5291
_NOE_completeness_stats.Constraint_matched_count 0
_NOE_completeness_stats.Constraint_unmatched_count 0
_NOE_completeness_stats.Constraint_exp_nonobs_count 5291
_NOE_completeness_stats.Details
;
A detailed methodology description is available at:
http://nmr.cmbi.ru.nl/~jd/wattos/doc/Wattos/Soup/Constraint/dc_completeness.html
Please note that the contributions in ambiguous restraints are considered
separate 'restraints' for the sets defined below.
The cut off for all statistics except those in the by-shell table is
given below by the above tag: _NOE_completeness_stats.Completeness_cutoff
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * Number of models
* 5 * Number of residues
* 6 * Number of atoms
* 7 * Standard set name of observable atom definitions
see: Doreleijers et al., J.Biomol.NMR 14, 123-132 (1999).
* 8 * Observable atom(group)s
* 9 * Include intra residue restraints
* 10 * Surplus threshold for determining redundant restraints
* 11 * Power for averaging the distance over models
* 12 * Up to what distance are NOEs expected
* 13 * Cumulative completeness percentage
* 14 * Number of unexpanded restraints in restraint list.
* 15 * Number of restraints in restraint list. Set U
* 16 * Expected restraints based on criteria in list. Set V
Set V differs from set B only if intra residue restraints are analyzed.
* 17 * Exceptional restraints, i.e. with an unknown atom.Set E
* 18 * Not observable NOEs with e.g. hydroxyl Ser HG. Set O
Even though restraints with these atom types might have been observed they are
excluded from the analysis.
* 19 * Intra-residue restraints if not to be analyzed. Set I
* 20 * Surplus like double restraints. Set S
* 21 * Observed restraints. Set A = U - (E u O u I u S)
* 22 * Expected restraints based on criteria as in A. Set B = V - (I u S)
* 23 * Observed restraints matched to the expected. Set M = A n B
* 24 * Observed restraints that were not expected. Set C = A - M
* 25 * Expected restraints that were not observed. Set D = B - M
* 26 * This tag
Description of the tags in the class table:
* 1 * Class of restraint. Note that 'medium-range' involves (2<=i<=4) contacts.
Possible values are: intraresidue,sequential,medium-range,long-range, and intermolecular.
* 2 * Observed restraints. Set A = U - (E u O u I u S)
* 3 * Expected restraints based on criteria as in A. Set B = V - (I u S)
* 4 * Observed restraints matched to the expected. Set M = A n B
* 5 * Completeness percentage
* 6 * Standard deviation from the average over the classes.
* 7 * Extra information
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the shell table.
The first row shows the lower limit of the shells requested and
The last row shows the total number of restraints over the shells.
* 1 * Description of the content of the row: edges, shell, or sums.
The value determines the meaning of the values to the nine 'Matched_shell_x' tags among others.
* 2 * Lower limit of shell of expected restraints.
* 3 * Upper limit of shell of expected restraints.
* 4 * Expected restraints based on criteria as in A. Set B = V - (I u S)
* 5 * Observed restraints matched to the expected. Set M = A n B
* 6 * Matched restraints with experimental distance in shell 1
* 7 * Matched restraints with experimental distance in shell 2
* 8 * Matched restraints with experimental distance in shell 3
* 9 * Matched restraints with experimental distance in shell 4
* 10 * Matched restraints with experimental distance in shell 5
* 11 * Matched restraints with experimental distance in shell 6
* 12 * Matched restraints with experimental distance in shell 7
* 13 * Matched restraints with experimental distance in shell 8
* 14 * Matched restraints with experimental distance in shell 9
* 15 * Matched restraints overflowing the last shell
* 16 * Completeness percentage for this shell
* 17 * Completeness percentage up to upper limit of this shell
* 18 * Administrative tag
* 19 * Administrative tag
Description of the tags in the residue table:
* 1 * Chain identifier
* 2 * Residue number
* 3 * Residue name
* 4 * Observable atom(group)s for this residue.
* 5 * Observed restraints. Set A = U - (E u O u I u S)
* 6 * Expected restraints based on criteria as in A. Set B = V - (I u S)
* 7 * Observed restraints matched to the expected. Set M = A n B
* 8 * Completeness percentage
* 9 * Standard deviation from the average over the residues.
* 10 * Extra information
* 11 * Administrative tag
* 12 * Administrative tag
;
loop_
_NOE_completeness_class.Type
_NOE_completeness_class.Constraint_observed_count
_NOE_completeness_class.Constraint_expected_count
_NOE_completeness_class.Constraint_matched_count
_NOE_completeness_class.Completeness_cumulative_pct
_NOE_completeness_class.Std_dev
_NOE_completeness_class.Details
intraresidue 0 0 0 . . "no intras"
sequential 0 1416 0 0.0 . >sigma
medium-range 0 376 0 0.0 . >sigma
long-range 0 0 0 . . .
intermolecular 0 3499 0 0.0 . >sigma
stop_
loop_
_NOE_completeness_shell.Type
_NOE_completeness_shell.Shell_start
_NOE_completeness_shell.Shell_end
_NOE_completeness_shell.Constraint_expected_count
_NOE_completeness_shell.Constraint_matched_count
_NOE_completeness_shell.Matched_shell_1
_NOE_completeness_shell.Matched_shell_2
_NOE_completeness_shell.Matched_shell_3
_NOE_completeness_shell.Matched_shell_4
_NOE_completeness_shell.Matched_shell_5
_NOE_completeness_shell.Matched_shell_6
_NOE_completeness_shell.Matched_shell_7
_NOE_completeness_shell.Matched_shell_8
_NOE_completeness_shell.Matched_shell_9
_NOE_completeness_shell.Matched_shell_overflow
_NOE_completeness_shell.Completeness_shell_pct
_NOE_completeness_shell.Completeness_cumulative_pct
edges . . . . 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 . . . .
shell 0.00 2.00 14 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 2.00 2.50 724 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 2.50 3.00 704 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 3.00 3.50 1545 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 3.50 4.00 2304 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 4.00 4.50 4655 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 4.50 5.00 6403 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 5.00 5.50 7049 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 5.50 6.00 7892 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 6.00 6.50 9203 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 6.50 7.00 11216 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 7.00 7.50 12597 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 7.50 8.00 13616 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 8.00 8.50 14337 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 8.50 9.00 15888 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
sums . . 108147 0 0 0 0 0 0 0 0 0 . 0 . .
stop_
loop_
_NOE_completeness_comp.Entity_assembly_ID
_NOE_completeness_comp.Comp_index_ID
_NOE_completeness_comp.Comp_ID
_NOE_completeness_comp.Obs_atom_count
_NOE_completeness_comp.Constraint_observed_count
_NOE_completeness_comp.Constraint_expected_count
_NOE_completeness_comp.Constraint_matched_count
_NOE_completeness_comp.Completeness_cumulative_pct
_NOE_completeness_comp.Std_dev
_NOE_completeness_comp.Details
1 1 HIS 6 0 1 0 0.0 . >sigma
1 2 SER 4 0 11 0 0.0 . >sigma
1 3 GLN 7 0 21 0 0.0 . >sigma
1 4 GLY 3 0 15 0 0.0 . >sigma
1 5 THR 4 0 19 0 0.0 . >sigma
1 6 PHE 7 0 8 0 0.0 . >sigma
1 7 THR 4 0 14 0 0.0 . >sigma
1 8 SER 4 0 15 0 0.0 . >sigma
1 9 ASP 4 0 14 0 0.0 . >sigma
1 10 TYR 6 0 17 0 0.0 . >sigma
1 11 SER 4 0 9 0 0.0 . >sigma
1 12 LYS 7 0 29 0 0.0 . >sigma
1 13 TYR 6 0 23 0 0.0 . >sigma
1 14 LEU 7 0 20 0 0.0 . >sigma
1 15 ASP 4 0 10 0 0.0 . >sigma
1 16 SER 4 0 15 0 0.0 . >sigma
1 17 ARG 7 0 51 0 0.0 . >sigma
1 18 ARG 7 0 22 0 0.0 . >sigma
1 19 ALA 3 0 14 0 0.0 . >sigma
1 20 GLN 7 0 17 0 0.0 . >sigma
1 21 ASP 4 0 13 0 0.0 . >sigma
1 22 PHE 7 0 18 0 0.0 . >sigma
1 23 VAL 5 0 17 0 0.0 . >sigma
1 24 GLN 7 0 20 0 0.0 . >sigma
1 25 TRP 10 0 17 0 0.0 . >sigma
1 26 LEU 7 0 24 0 0.0 . >sigma
1 27 MET 6 0 28 0 0.0 . >sigma
1 28 ASN 6 0 19 0 0.0 . >sigma
1 29 THR 4 0 7 0 0.0 . >sigma
2 1 HIS 6 0 1 0 0.0 . >sigma
2 2 SER 4 0 6 0 0.0 . >sigma
2 3 GLN 7 0 19 0 0.0 . >sigma
2 4 GLY 3 0 12 0 0.0 . >sigma
2 5 THR 4 0 24 0 0.0 . >sigma
2 6 PHE 7 0 9 0 0.0 . >sigma
2 7 THR 4 0 14 0 0.0 . >sigma
2 8 SER 4 0 13 0 0.0 . >sigma
2 9 ASP 4 0 13 0 0.0 . >sigma
2 10 TYR 6 0 12 0 0.0 . >sigma
2 11 SER 4 0 12 0 0.0 . >sigma
2 12 LYS 7 0 22 0 0.0 . >sigma
2 13 TYR 6 0 21 0 0.0 . >sigma
2 14 LEU 7 0 20 0 0.0 . >sigma
2 15 ASP 4 0 8 0 0.0 . >sigma
2 16 SER 4 0 11 0 0.0 . >sigma
2 17 ARG 7 0 33 0 0.0 . >sigma
2 18 ARG 7 0 17 0 0.0 . >sigma
2 19 ALA 3 0 22 0 0.0 . >sigma
2 20 GLN 7 0 15 0 0.0 . >sigma
2 21 ASP 4 0 14 0 0.0 . >sigma
2 22 PHE 7 0 15 0 0.0 . >sigma
2 23 VAL 5 0 25 0 0.0 . >sigma
2 24 GLN 7 0 14 0 0.0 . >sigma
2 25 TRP 10 0 20 0 0.0 . >sigma
2 26 LEU 7 0 23 0 0.0 . >sigma
2 27 MET 6 0 19 0 0.0 . >sigma
2 28 ASN 6 0 14 0 0.0 . >sigma
2 29 THR 4 0 10 0 0.0 . >sigma
3 1 HIS 6 0 1 0 0.0 . >sigma
3 2 SER 4 0 11 0 0.0 . >sigma
3 3 GLN 7 0 25 0 0.0 . >sigma
3 4 GLY 3 0 16 0 0.0 . >sigma
3 5 THR 4 0 27 0 0.0 . >sigma
3 6 PHE 7 0 22 0 0.0 . >sigma
3 7 THR 4 0 17 0 0.0 . >sigma
3 8 SER 4 0 21 0 0.0 . >sigma
3 9 ASP 4 0 19 0 0.0 . >sigma
3 10 TYR 6 0 18 0 0.0 . >sigma
3 11 SER 4 0 12 0 0.0 . >sigma
3 12 LYS 7 0 37 0 0.0 . >sigma
3 13 TYR 6 0 37 0 0.0 . >sigma
3 14 LEU 7 0 41 0 0.0 . >sigma
3 15 ASP 4 0 14 0 0.0 . >sigma
3 16 SER 4 0 13 0 0.0 . >sigma
3 17 ARG 7 0 83 0 0.0 . >sigma
3 18 ARG 7 0 30 0 0.0 . >sigma
3 19 ALA 3 0 28 0 0.0 . >sigma
3 20 GLN 7 0 19 0 0.0 . >sigma
3 21 ASP 4 0 20 0 0.0 . >sigma
3 22 PHE 7 0 23 0 0.0 . >sigma
3 23 VAL 5 0 34 0 0.0 . >sigma
3 24 GLN 7 0 20 0 0.0 . >sigma
3 25 TRP 10 0 20 0 0.0 . >sigma
3 26 LEU 7 0 31 0 0.0 . >sigma
3 27 MET 6 0 27 0 0.0 . >sigma
3 28 ASN 6 0 21 0 0.0 . >sigma
3 29 THR 4 0 15 0 0.0 . >sigma
4 1 HIS 6 0 1 0 0.0 . >sigma
4 2 SER 4 0 11 0 0.0 . >sigma
4 3 GLN 7 0 24 0 0.0 . >sigma
4 4 GLY 3 0 20 0 0.0 . >sigma
4 5 THR 4 0 31 0 0.0 . >sigma
4 6 PHE 7 0 22 0 0.0 . >sigma
4 7 THR 4 0 17 0 0.0 . >sigma
4 8 SER 4 0 17 0 0.0 . >sigma
4 9 ASP 4 0 21 0 0.0 . >sigma
4 10 TYR 6 0 15 0 0.0 . >sigma
4 11 SER 4 0 15 0 0.0 . >sigma
4 12 LYS 7 0 36 0 0.0 . >sigma
4 13 TYR 6 0 37 0 0.0 . >sigma
4 14 LEU 7 0 38 0 0.0 . >sigma
4 15 ASP 4 0 15 0 0.0 . >sigma
4 16 SER 4 0 15 0 0.0 . >sigma
4 17 ARG 7 0 77 0 0.0 . >sigma
4 18 ARG 7 0 29 0 0.0 . >sigma
4 19 ALA 3 0 29 0 0.0 . >sigma
4 20 GLN 7 0 19 0 0.0 . >sigma
4 21 ASP 4 0 16 0 0.0 . >sigma
4 22 PHE 7 0 19 0 0.0 . >sigma
4 23 VAL 5 0 32 0 0.0 . >sigma
4 24 GLN 7 0 20 0 0.0 . >sigma
4 25 TRP 10 0 22 0 0.0 . >sigma
4 26 LEU 7 0 38 0 0.0 . >sigma
4 27 MET 6 0 24 0 0.0 . >sigma
4 28 ASN 6 0 19 0 0.0 . >sigma
4 29 THR 4 0 18 0 0.0 . >sigma
5 1 HIS 6 0 1 0 0.0 . >sigma
5 2 SER 4 0 11 0 0.0 . >sigma
5 3 GLN 7 0 26 0 0.0 . >sigma
5 4 GLY 3 0 17 0 0.0 . >sigma
5 5 THR 4 0 29 0 0.0 . >sigma
5 6 PHE 7 0 17 0 0.0 . >sigma
5 7 THR 4 0 16 0 0.0 . >sigma
5 8 SER 4 0 18 0 0.0 . >sigma
5 9 ASP 4 0 20 0 0.0 . >sigma
5 10 TYR 6 0 19 0 0.0 . >sigma
5 11 SER 4 0 13 0 0.0 . >sigma
5 12 LYS 7 0 39 0 0.0 . >sigma
5 13 TYR 6 0 33 0 0.0 . >sigma
5 14 LEU 7 0 40 0 0.0 . >sigma
5 15 ASP 4 0 9 0 0.0 . >sigma
5 16 SER 4 0 12 0 0.0 . >sigma
5 17 ARG 7 0 73 0 0.0 . >sigma
5 18 ARG 7 0 31 0 0.0 . >sigma
5 19 ALA 3 0 26 0 0.0 . >sigma
5 20 GLN 7 0 19 0 0.0 . >sigma
5 21 ASP 4 0 19 0 0.0 . >sigma
5 22 PHE 7 0 25 0 0.0 . >sigma
5 23 VAL 5 0 30 0 0.0 . >sigma
5 24 GLN 7 0 21 0 0.0 . >sigma
5 25 TRP 10 0 23 0 0.0 . >sigma
5 26 LEU 7 0 32 0 0.0 . >sigma
5 27 MET 6 0 33 0 0.0 . >sigma
5 28 ASN 6 0 22 0 0.0 . >sigma
5 29 THR 4 0 14 0 0.0 . >sigma
6 1 HIS 6 0 1 0 0.0 . >sigma
6 2 SER 4 0 7 0 0.0 . >sigma
6 3 GLN 7 0 22 0 0.0 . >sigma
6 4 GLY 3 0 19 0 0.0 . >sigma
6 5 THR 4 0 32 0 0.0 . >sigma
6 6 PHE 7 0 14 0 0.0 . >sigma
6 7 THR 4 0 18 0 0.0 . >sigma
6 8 SER 4 0 17 0 0.0 . >sigma
6 9 ASP 4 0 20 0 0.0 . >sigma
6 10 TYR 6 0 18 0 0.0 . >sigma
6 11 SER 4 0 15 0 0.0 . >sigma
6 12 LYS 7 0 35 0 0.0 . >sigma
6 13 TYR 6 0 33 0 0.0 . >sigma
6 14 LEU 7 0 30 0 0.0 . >sigma
6 15 ASP 4 0 12 0 0.0 . >sigma
6 16 SER 4 0 12 0 0.0 . >sigma
6 17 ARG 7 0 70 0 0.0 . >sigma
6 18 ARG 7 0 28 0 0.0 . >sigma
6 19 ALA 3 0 27 0 0.0 . >sigma
6 20 GLN 7 0 19 0 0.0 . >sigma
6 21 ASP 4 0 15 0 0.0 . >sigma
6 22 PHE 7 0 23 0 0.0 . >sigma
6 23 VAL 5 0 33 0 0.0 . >sigma
6 24 GLN 7 0 19 0 0.0 . >sigma
6 25 TRP 10 0 24 0 0.0 . >sigma
6 26 LEU 7 0 36 0 0.0 . >sigma
6 27 MET 6 0 31 0 0.0 . >sigma
6 28 ASN 6 0 21 0 0.0 . >sigma
6 29 THR 4 0 18 0 0.0 . >sigma
7 1 HIS 6 0 1 0 0.0 . >sigma
7 2 SER 4 0 11 0 0.0 . >sigma
7 3 GLN 7 0 27 0 0.0 . >sigma
7 4 GLY 3 0 18 0 0.0 . >sigma
7 5 THR 4 0 27 0 0.0 . >sigma
7 6 PHE 7 0 30 0 0.0 . >sigma
7 7 THR 4 0 20 0 0.0 . >sigma
7 8 SER 4 0 22 0 0.0 . >sigma
7 9 ASP 4 0 18 0 0.0 . >sigma
7 10 TYR 6 0 20 0 0.0 . >sigma
7 11 SER 4 0 12 0 0.0 . >sigma
7 12 LYS 7 0 39 0 0.0 . >sigma
7 13 TYR 6 0 31 0 0.0 . >sigma
7 14 LEU 7 0 45 0 0.0 . >sigma
7 15 ASP 4 0 11 0 0.0 . >sigma
7 16 SER 4 0 13 0 0.0 . >sigma
7 17 ARG 7 0 82 0 0.0 . >sigma
7 18 ARG 7 0 27 0 0.0 . >sigma
7 19 ALA 3 0 29 0 0.0 . >sigma
7 20 GLN 7 0 21 0 0.0 . >sigma
7 21 ASP 4 0 17 0 0.0 . >sigma
7 22 PHE 7 0 27 0 0.0 . >sigma
7 23 VAL 5 0 31 0 0.0 . >sigma
7 24 GLN 7 0 19 0 0.0 . >sigma
7 25 TRP 10 0 20 0 0.0 . >sigma
7 26 LEU 7 0 37 0 0.0 . >sigma
7 27 MET 6 0 26 0 0.0 . >sigma
7 28 ASN 6 0 24 0 0.0 . >sigma
7 29 THR 4 0 12 0 0.0 . >sigma
8 1 HIS 6 0 1 0 0.0 . >sigma
8 2 SER 4 0 7 0 0.0 . >sigma
8 3 GLN 7 0 27 0 0.0 . >sigma
8 4 GLY 3 0 18 0 0.0 . >sigma
8 5 THR 4 0 31 0 0.0 . >sigma
8 6 PHE 7 0 25 0 0.0 . >sigma
8 7 THR 4 0 19 0 0.0 . >sigma
8 8 SER 4 0 18 0 0.0 . >sigma
8 9 ASP 4 0 19 0 0.0 . >sigma
8 10 TYR 6 0 20 0 0.0 . >sigma
8 11 SER 4 0 11 0 0.0 . >sigma
8 12 LYS 7 0 37 0 0.0 . >sigma
8 13 TYR 6 0 33 0 0.0 . >sigma
8 14 LEU 7 0 38 0 0.0 . >sigma
8 15 ASP 4 0 9 0 0.0 . >sigma
8 16 SER 4 0 14 0 0.0 . >sigma
8 17 ARG 7 0 78 0 0.0 . >sigma
8 18 ARG 7 0 26 0 0.0 . >sigma
8 19 ALA 3 0 30 0 0.0 . >sigma
8 20 GLN 7 0 16 0 0.0 . >sigma
8 21 ASP 4 0 14 0 0.0 . >sigma
8 22 PHE 7 0 23 0 0.0 . >sigma
8 23 VAL 5 0 34 0 0.0 . >sigma
8 24 GLN 7 0 18 0 0.0 . >sigma
8 25 TRP 10 0 18 0 0.0 . >sigma
8 26 LEU 7 0 35 0 0.0 . >sigma
8 27 MET 6 0 27 0 0.0 . >sigma
8 28 ASN 6 0 21 0 0.0 . >sigma
8 29 THR 4 0 13 0 0.0 . >sigma
9 1 HIS 6 0 3 0 0.0 . >sigma
9 2 SER 4 0 11 0 0.0 . >sigma
9 3 GLN 7 0 19 0 0.0 . >sigma
9 4 GLY 3 0 17 0 0.0 . >sigma
9 5 THR 4 0 21 0 0.0 . >sigma
9 6 PHE 7 0 38 0 0.0 . >sigma
9 7 THR 4 0 17 0 0.0 . >sigma
9 8 SER 4 0 24 0 0.0 . >sigma
9 9 ASP 4 0 15 0 0.0 . >sigma
9 10 TYR 6 0 27 0 0.0 . >sigma
9 11 SER 4 0 16 0 0.0 . >sigma
9 12 LYS 7 0 70 0 0.0 . >sigma
9 13 TYR 6 0 38 0 0.0 . >sigma
9 14 LEU 7 0 61 0 0.0 . >sigma
9 15 ASP 4 0 18 0 0.0 . >sigma
9 16 SER 4 0 14 0 0.0 . >sigma
9 17 ARG 7 0 43 0 0.0 . >sigma
9 18 ARG 7 0 47 0 0.0 . >sigma
9 19 ALA 3 0 28 0 0.0 . >sigma
9 20 GLN 7 0 21 0 0.0 . >sigma
9 21 ASP 4 0 18 0 0.0 . >sigma
9 22 PHE 7 0 28 0 0.0 . >sigma
9 23 VAL 5 0 26 0 0.0 . >sigma
9 24 GLN 7 0 23 0 0.0 . >sigma
9 25 TRP 10 0 16 0 0.0 . >sigma
9 26 LEU 7 0 39 0 0.0 . >sigma
9 27 MET 6 0 17 0 0.0 . >sigma
9 28 ASN 6 0 21 0 0.0 . >sigma
9 29 THR 4 0 11 0 0.0 . >sigma
10 1 HIS 6 0 4 0 0.0 . >sigma
10 2 SER 4 0 12 0 0.0 . >sigma
10 3 GLN 7 0 26 0 0.0 . >sigma
10 4 GLY 3 0 16 0 0.0 . >sigma
10 5 THR 4 0 25 0 0.0 . >sigma
10 6 PHE 7 0 38 0 0.0 . >sigma
10 7 THR 4 0 18 0 0.0 . >sigma
10 8 SER 4 0 23 0 0.0 . >sigma
10 9 ASP 4 0 16 0 0.0 . >sigma
10 10 TYR 6 0 23 0 0.0 . >sigma
10 11 SER 4 0 15 0 0.0 . >sigma
10 12 LYS 7 0 71 0 0.0 . >sigma
10 13 TYR 6 0 31 0 0.0 . >sigma
10 14 LEU 7 0 63 0 0.0 . >sigma
10 15 ASP 4 0 15 0 0.0 . >sigma
10 16 SER 4 0 13 0 0.0 . >sigma
10 17 ARG 7 0 41 0 0.0 . >sigma
10 18 ARG 7 0 49 0 0.0 . >sigma
10 19 ALA 3 0 23 0 0.0 . >sigma
10 20 GLN 7 0 27 0 0.0 . >sigma
10 21 ASP 4 0 17 0 0.0 . >sigma
10 22 PHE 7 0 32 0 0.0 . >sigma
10 23 VAL 5 0 30 0 0.0 . >sigma
10 24 GLN 7 0 20 0 0.0 . >sigma
10 25 TRP 10 0 16 0 0.0 . >sigma
10 26 LEU 7 0 41 0 0.0 . >sigma
10 27 MET 6 0 20 0 0.0 . >sigma
10 28 ASN 6 0 21 0 0.0 . >sigma
10 29 THR 4 0 11 0 0.0 . >sigma
11 1 HIS 6 0 5 0 0.0 . >sigma
11 2 SER 4 0 11 0 0.0 . >sigma
11 3 GLN 7 0 20 0 0.0 . >sigma
11 4 GLY 3 0 17 0 0.0 . >sigma
11 5 THR 4 0 25 0 0.0 . >sigma
11 6 PHE 7 0 35 0 0.0 . >sigma
11 7 THR 4 0 17 0 0.0 . >sigma
11 8 SER 4 0 24 0 0.0 . >sigma
11 9 ASP 4 0 21 0 0.0 . >sigma
11 10 TYR 6 0 28 0 0.0 . >sigma
11 11 SER 4 0 15 0 0.0 . >sigma
11 12 LYS 7 0 60 0 0.0 . >sigma
11 13 TYR 6 0 32 0 0.0 . >sigma
11 14 LEU 7 0 62 0 0.0 . >sigma
11 15 ASP 4 0 12 0 0.0 . >sigma
11 16 SER 4 0 11 0 0.0 . >sigma
11 17 ARG 7 0 48 0 0.0 . >sigma
11 18 ARG 7 0 40 0 0.0 . >sigma
11 19 ALA 3 0 27 0 0.0 . >sigma
11 20 GLN 7 0 21 0 0.0 . >sigma
11 21 ASP 4 0 17 0 0.0 . >sigma
11 22 PHE 7 0 30 0 0.0 . >sigma
11 23 VAL 5 0 29 0 0.0 . >sigma
11 24 GLN 7 0 20 0 0.0 . >sigma
11 25 TRP 10 0 24 0 0.0 . >sigma
11 26 LEU 7 0 42 0 0.0 . >sigma
11 27 MET 6 0 20 0 0.0 . >sigma
11 28 ASN 6 0 17 0 0.0 . >sigma
11 29 THR 4 0 10 0 0.0 . >sigma
12 1 HIS 6 0 6 0 0.0 . >sigma
12 2 SER 4 0 13 0 0.0 . >sigma
12 3 GLN 7 0 24 0 0.0 . >sigma
12 4 GLY 3 0 16 0 0.0 . >sigma
12 5 THR 4 0 21 0 0.0 . >sigma
12 6 PHE 7 0 35 0 0.0 . >sigma
12 7 THR 4 0 19 0 0.0 . >sigma
12 8 SER 4 0 23 0 0.0 . >sigma
12 9 ASP 4 0 19 0 0.0 . >sigma
12 10 TYR 6 0 25 0 0.0 . >sigma
12 11 SER 4 0 15 0 0.0 . >sigma
12 12 LYS 7 0 61 0 0.0 . >sigma
12 13 TYR 6 0 27 0 0.0 . >sigma
12 14 LEU 7 0 64 0 0.0 . >sigma
12 15 ASP 4 0 12 0 0.0 . >sigma
12 16 SER 4 0 15 0 0.0 . >sigma
12 17 ARG 7 0 37 0 0.0 . >sigma
12 18 ARG 7 0 40 0 0.0 . >sigma
12 19 ALA 3 0 24 0 0.0 . >sigma
12 20 GLN 7 0 22 0 0.0 . >sigma
12 21 ASP 4 0 17 0 0.0 . >sigma
12 22 PHE 7 0 33 0 0.0 . >sigma
12 23 VAL 5 0 28 0 0.0 . >sigma
12 24 GLN 7 0 20 0 0.0 . >sigma
12 25 TRP 10 0 21 0 0.0 . >sigma
12 26 LEU 7 0 42 0 0.0 . >sigma
12 27 MET 6 0 22 0 0.0 . >sigma
12 28 ASN 6 0 17 0 0.0 . >sigma
12 29 THR 4 0 8 0 0.0 . >sigma
13 1 HIS 6 0 7 0 0.0 . >sigma
13 2 SER 4 0 11 0 0.0 . >sigma
13 3 GLN 7 0 24 0 0.0 . >sigma
13 4 GLY 3 0 16 0 0.0 . >sigma
13 5 THR 4 0 22 0 0.0 . >sigma
13 6 PHE 7 0 35 0 0.0 . >sigma
13 7 THR 4 0 18 0 0.0 . >sigma
13 8 SER 4 0 22 0 0.0 . >sigma
13 9 ASP 4 0 21 0 0.0 . >sigma
13 10 TYR 6 0 25 0 0.0 . >sigma
13 11 SER 4 0 17 0 0.0 . >sigma
13 12 LYS 7 0 55 0 0.0 . >sigma
13 13 TYR 6 0 26 0 0.0 . >sigma
13 14 LEU 7 0 57 0 0.0 . >sigma
13 15 ASP 4 0 13 0 0.0 . >sigma
13 16 SER 4 0 11 0 0.0 . >sigma
13 17 ARG 7 0 46 0 0.0 . >sigma
13 18 ARG 7 0 31 0 0.0 . >sigma
13 19 ALA 3 0 27 0 0.0 . >sigma
13 20 GLN 7 0 24 0 0.0 . >sigma
13 21 ASP 4 0 16 0 0.0 . >sigma
13 22 PHE 7 0 35 0 0.0 . >sigma
13 23 VAL 5 0 26 0 0.0 . >sigma
13 24 GLN 7 0 21 0 0.0 . >sigma
13 25 TRP 10 0 22 0 0.0 . >sigma
13 26 LEU 7 0 40 0 0.0 . >sigma
13 27 MET 6 0 19 0 0.0 . >sigma
13 28 ASN 6 0 23 0 0.0 . >sigma
13 29 THR 4 0 10 0 0.0 . >sigma
14 1 HIS 6 0 6 0 0.0 . >sigma
14 2 SER 4 0 14 0 0.0 . >sigma
14 3 GLN 7 0 21 0 0.0 . >sigma
14 4 GLY 3 0 16 0 0.0 . >sigma
14 5 THR 4 0 21 0 0.0 . >sigma
14 6 PHE 7 0 37 0 0.0 . >sigma
14 7 THR 4 0 17 0 0.0 . >sigma
14 8 SER 4 0 22 0 0.0 . >sigma
14 9 ASP 4 0 18 0 0.0 . >sigma
14 10 TYR 6 0 23 0 0.0 . >sigma
14 11 SER 4 0 14 0 0.0 . >sigma
14 12 LYS 7 0 56 0 0.0 . >sigma
14 13 TYR 6 0 28 0 0.0 . >sigma
14 14 LEU 7 0 56 0 0.0 . >sigma
14 15 ASP 4 0 14 0 0.0 . >sigma
14 16 SER 4 0 14 0 0.0 . >sigma
14 17 ARG 7 0 38 0 0.0 . >sigma
14 18 ARG 7 0 34 0 0.0 . >sigma
14 19 ALA 3 0 26 0 0.0 . >sigma
14 20 GLN 7 0 25 0 0.0 . >sigma
14 21 ASP 4 0 17 0 0.0 . >sigma
14 22 PHE 7 0 30 0 0.0 . >sigma
14 23 VAL 5 0 31 0 0.0 . >sigma
14 24 GLN 7 0 21 0 0.0 . >sigma
14 25 TRP 10 0 19 0 0.0 . >sigma
14 26 LEU 7 0 44 0 0.0 . >sigma
14 27 MET 6 0 19 0 0.0 . >sigma
14 28 ASN 6 0 22 0 0.0 . >sigma
14 29 THR 4 0 6 0 0.0 . >sigma
15 1 HIS 6 0 5 0 0.0 . >sigma
15 2 SER 4 0 5 0 0.0 . >sigma
15 3 GLN 7 0 19 0 0.0 . >sigma
15 4 GLY 3 0 14 0 0.0 . >sigma
15 5 THR 4 0 16 0 0.0 . >sigma
15 6 PHE 7 0 19 0 0.0 . >sigma
15 7 THR 4 0 14 0 0.0 . >sigma
15 8 SER 4 0 15 0 0.0 . >sigma
15 9 ASP 4 0 17 0 0.0 . >sigma
15 10 TYR 6 0 15 0 0.0 . >sigma
15 11 SER 4 0 12 0 0.0 . >sigma
15 12 LYS 7 0 32 0 0.0 . >sigma
15 13 TYR 6 0 21 0 0.0 . >sigma
15 14 LEU 7 0 41 0 0.0 . >sigma
15 15 ASP 4 0 10 0 0.0 . >sigma
15 16 SER 4 0 10 0 0.0 . >sigma
15 17 ARG 7 0 36 0 0.0 . >sigma
15 18 ARG 7 0 27 0 0.0 . >sigma
15 19 ALA 3 0 19 0 0.0 . >sigma
15 20 GLN 7 0 18 0 0.0 . >sigma
15 21 ASP 4 0 15 0 0.0 . >sigma
15 22 PHE 7 0 23 0 0.0 . >sigma
15 23 VAL 5 0 27 0 0.0 . >sigma
15 24 GLN 7 0 17 0 0.0 . >sigma
15 25 TRP 10 0 28 0 0.0 . >sigma
15 26 LEU 7 0 32 0 0.0 . >sigma
15 27 MET 6 0 19 0 0.0 . >sigma
15 28 ASN 6 0 16 0 0.0 . >sigma
15 29 THR 4 0 9 0 0.0 . >sigma
16 1 HIS 6 0 2 0 0.0 . >sigma
16 2 SER 4 0 10 0 0.0 . >sigma
16 3 GLN 7 0 10 0 0.0 . >sigma
16 4 GLY 3 0 10 0 0.0 . >sigma
16 5 THR 4 0 13 0 0.0 . >sigma
16 6 PHE 7 0 24 0 0.0 . >sigma
16 7 THR 4 0 12 0 0.0 . >sigma
16 8 SER 4 0 19 0 0.0 . >sigma
16 9 ASP 4 0 14 0 0.0 . >sigma
16 10 TYR 6 0 14 0 0.0 . >sigma
16 11 SER 4 0 11 0 0.0 . >sigma
16 12 LYS 7 0 53 0 0.0 . >sigma
16 13 TYR 6 0 17 0 0.0 . >sigma
16 14 LEU 7 0 43 0 0.0 . >sigma
16 15 ASP 4 0 9 0 0.0 . >sigma
16 16 SER 4 0 9 0 0.0 . >sigma
16 17 ARG 7 0 26 0 0.0 . >sigma
16 18 ARG 7 0 23 0 0.0 . >sigma
16 19 ALA 3 0 19 0 0.0 . >sigma
16 20 GLN 7 0 14 0 0.0 . >sigma
16 21 ASP 4 0 11 0 0.0 . >sigma
16 22 PHE 7 0 18 0 0.0 . >sigma
16 23 VAL 5 0 21 0 0.0 . >sigma
16 24 GLN 7 0 16 0 0.0 . >sigma
16 25 TRP 10 0 23 0 0.0 . >sigma
16 26 LEU 7 0 36 0 0.0 . >sigma
16 27 MET 6 0 18 0 0.0 . >sigma
16 28 ASN 6 0 14 0 0.0 . >sigma
16 29 THR 4 0 4 0 0.0 . >sigma
stop_
save_