Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
533699 | 2km8 RC | 16425 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2km8
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 264
_NOE_completeness_stats.Total_atom_count 4375
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1501
_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 48.2
_NOE_completeness_stats.Constraint_unexpanded_count 4352
_NOE_completeness_stats.Constraint_count 4352
_NOE_completeness_stats.Constraint_exp_unfiltered_count 3439
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 138
_NOE_completeness_stats.Constraint_intraresidue_count 717
_NOE_completeness_stats.Constraint_surplus_count 113
_NOE_completeness_stats.Constraint_observed_count 3384
_NOE_completeness_stats.Constraint_expected_count 3355
_NOE_completeness_stats.Constraint_matched_count 1616
_NOE_completeness_stats.Constraint_unmatched_count 1768
_NOE_completeness_stats.Constraint_exp_nonobs_count 1739
_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 979 1130 638 56.5 1.1 >sigma
medium-range 643 588 264 44.9 0.0 .
long-range 1479 1488 667 44.8 0.0 .
intermolecular 283 149 47 31.5 -1.2 >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 8 6 0 0 2 1 2 0 0 0 . 1 75.0 75.0
shell 2.00 2.50 278 221 0 0 47 72 54 0 31 0 . 17 79.5 79.4
shell 2.50 3.00 570 374 0 0 54 71 135 0 83 0 . 31 65.6 70.2
shell 3.00 3.50 974 467 0 0 22 50 174 0 137 1 . 83 47.9 58.4
shell 3.50 4.00 1525 548 0 0 3 31 202 0 185 0 . 127 35.9 48.2
shell 4.00 4.50 2262 535 0 0 0 3 97 1 235 0 . 199 23.7 38.3
shell 4.50 5.00 3272 478 0 0 0 1 22 0 230 2 . 223 14.6 29.6
shell 5.00 5.50 4115 312 0 0 0 0 0 0 134 0 . 178 7.6 22.6
shell 5.50 6.00 4861 173 0 0 0 0 1 0 30 0 . 142 3.6 17.4
shell 6.00 6.50 5411 97 0 0 0 0 0 0 3 0 . 94 1.8 13.8
shell 6.50 7.00 5932 30 0 0 0 0 0 0 1 0 . 29 0.5 11.1
shell 7.00 7.50 6506 3 0 0 0 0 0 0 0 0 . 3 0.0 9.1
shell 7.50 8.00 7289 0 0 0 0 0 0 0 0 0 . 0 0.0 7.5
shell 8.00 8.50 7743 1 0 0 0 0 0 0 0 0 . 1 0.0 6.4
shell 8.50 9.00 8216 0 0 0 0 0 0 0 0 0 . 0 0.0 5.5
sums . . 58962 3245 0 0 128 229 687 1 1,069 3 . 1,128 . .
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 U 8 2 3 0 0.0 -2.8 >sigma
1 2 A 10 16 28 9 32.1 -0.9 .
1 3 U 8 73 24 6 25.0 -1.3 >sigma
1 4 A 10 21 17 5 29.4 -1.1 >sigma
1 5 U 8 95 25 5 20.0 -1.6 >sigma
1 6 A 10 20 48 12 25.0 -1.3 >sigma
1 7 U 8 14 21 4 19.0 -1.7 >sigma
1 8 A 10 11 14 5 35.7 -0.7 .
1 9 A 10 24 23 6 26.1 -1.3 >sigma
1 10 U 8 22 15 4 26.7 -1.2 >sigma
1 11 A 10 16 11 5 45.5 -0.1 .
1 12 A 10 11 9 4 44.4 -0.2 .
1 13 U 8 6 5 2 40.0 -0.5 .
2 1 ASN 6 6 9 1 11.1 -2.2 >sigma
2 2 PRO 5 8 24 6 25.0 -1.3 >sigma
2 3 PRO 5 6 11 6 54.5 0.4 .
2 4 SER 4 16 26 12 46.2 -0.1 .
2 5 ARG 7 20 29 7 24.1 -1.4 >sigma
2 6 VAL 5 52 41 21 51.2 0.2 .
2 7 VAL 5 38 40 16 40.0 -0.5 .
2 8 TYR 6 36 41 19 46.3 -0.1 .
2 9 LEU 7 25 51 11 21.6 -1.5 >sigma
2 10 GLY 3 18 15 9 60.0 0.7 .
2 11 SER 4 5 16 1 6.3 -2.4 >sigma
2 12 ILE 6 44 42 19 45.2 -0.2 .
2 13 PRO 5 9 23 7 30.4 -1.0 >sigma
2 14 TYR 6 10 17 3 17.6 -1.8 >sigma
2 15 ASP 4 10 17 7 41.2 -0.4 .
2 16 GLN 7 38 47 23 48.9 0.1 .
2 17 THR 4 26 22 10 45.5 -0.1 .
2 18 GLU 5 21 23 12 52.2 0.2 .
2 19 GLU 5 19 20 7 35.0 -0.8 .
2 20 GLN 7 35 39 18 46.2 -0.1 .
2 21 ILE 6 54 54 23 42.6 -0.3 .
2 22 LEU 7 29 24 10 41.7 -0.4 .
2 23 ASP 4 23 15 9 60.0 0.7 .
2 24 LEU 7 48 34 19 55.9 0.5 .
2 25 CYS 4 47 27 23 85.2 2.2 >sigma
2 26 SER 4 30 22 14 63.6 0.9 .
2 27 ASN 6 31 13 11 84.6 2.1 >sigma
2 28 VAL 5 44 27 15 55.6 0.4 .
2 29 GLY 3 17 12 6 50.0 0.1 .
2 30 PRO 5 6 6 4 66.7 1.1 >sigma
2 31 VAL 5 61 33 26 78.8 1.8 >sigma
2 32 ILE 6 48 30 22 73.3 1.5 >sigma
2 33 ASN 6 43 24 20 83.3 2.1 >sigma
2 34 LEU 7 57 43 21 48.8 0.1 .
2 35 LYS 7 25 15 8 53.3 0.3 .
2 36 MET 6 43 34 19 55.9 0.5 .
2 37 MET 6 29 21 11 52.4 0.3 .
2 38 PHE 7 24 25 10 40.0 -0.5 .
2 39 ASP 4 20 18 8 44.4 -0.2 .
2 40 PRO 5 12 13 8 61.5 0.8 .
2 41 GLN 7 17 15 10 66.7 1.1 >sigma
2 42 THR 4 23 23 16 69.6 1.3 >sigma
2 43 GLY 3 14 13 6 46.2 -0.1 .
2 44 ARG 7 16 19 10 52.6 0.3 .
2 45 SER 4 12 15 6 40.0 -0.5 .
2 46 LYS 7 10 15 4 26.7 -1.2 >sigma
2 47 GLY 3 11 17 4 23.5 -1.4 >sigma
2 48 TYR 6 45 28 12 42.9 -0.3 .
2 49 ALA 3 28 34 19 55.9 0.5 .
2 50 PHE 7 46 34 16 47.1 -0.1 .
2 51 ILE 6 72 52 30 57.7 0.6 .
2 52 GLU 5 43 32 14 43.8 -0.2 .
2 53 PHE 7 98 59 39 66.1 1.1 >sigma
2 54 ARG 7 34 28 20 71.4 1.4 >sigma
2 55 ASP 4 36 24 16 66.7 1.1 >sigma
2 56 LEU 7 31 30 12 40.0 -0.5 .
2 57 GLU 5 21 15 12 80.0 1.9 >sigma
2 58 SER 4 33 28 16 57.1 0.5 .
2 59 SER 4 29 32 16 50.0 0.1 .
2 60 ALA 3 36 16 10 62.5 0.9 .
2 61 SER 4 20 19 10 52.6 0.3 .
2 62 ALA 3 40 34 21 61.8 0.8 .
2 63 VAL 5 42 43 16 37.2 -0.6 .
2 64 ARG 7 23 19 9 47.4 -0.0 .
2 65 ASN 6 38 20 14 70.0 1.3 >sigma
2 66 LEU 7 51 39 20 51.3 0.2 .
2 67 ASN 6 29 20 11 55.0 0.4 .
2 68 GLY 3 13 18 8 44.4 -0.2 .
2 69 TYR 6 49 33 22 66.7 1.1 >sigma
2 70 GLN 7 21 16 9 56.3 0.5 .
2 71 LEU 7 45 42 20 47.6 -0.0 .
2 72 GLY 3 20 15 8 53.3 0.3 .
2 73 SER 4 7 11 4 36.4 -0.7 .
2 74 ARG 7 15 18 9 50.0 0.1 .
2 75 PHE 7 29 36 17 47.2 -0.0 .
2 76 LEU 7 34 57 19 33.3 -0.9 .
2 77 LYS 7 4 15 1 6.7 -2.4 >sigma
2 78 CYS 4 1 18 0 0.0 -2.8 >sigma
2 79 GLY 3 18 16 8 50.0 0.1 .
2 80 TYR 6 9 26 2 7.7 -2.4 >sigma
2 81 SER 4 19 14 7 50.0 0.1 .
2 82 SER 4 13 8 3 37.5 -0.6 .
2 83 ASN 6 11 8 4 50.0 0.1 .
2 84 SER 4 4 4 2 50.0 0.1 .
3 1 LYS 7 0 4 0 0.0 -2.8 >sigma
3 2 GLU 5 1 8 0 0.0 -2.8 >sigma
3 3 SER 4 3 8 1 12.5 -2.1 >sigma
3 4 CYS 4 15 15 6 40.0 -0.5 .
3 5 LYS 7 22 28 9 32.1 -0.9 .
3 6 MET 6 51 56 23 41.1 -0.4 .
3 7 PHE 7 50 51 28 54.9 0.4 .
3 8 ILE 6 63 69 32 46.4 -0.1 .
3 9 GLY 3 15 13 7 53.8 0.3 .
3 10 GLY 3 10 12 3 25.0 -1.3 >sigma
3 11 LEU 7 32 42 17 40.5 -0.4 .
3 12 ASN 6 24 20 11 55.0 0.4 .
3 13 TRP 10 42 20 12 60.0 0.7 .
3 14 ASP 4 13 9 7 77.8 1.7 >sigma
3 15 THR 4 31 31 15 48.4 0.0 .
3 16 THR 4 18 21 10 47.6 -0.0 .
3 17 GLU 5 31 32 18 56.3 0.5 .
3 18 ASP 4 16 18 12 66.7 1.1 >sigma
3 19 ASN 6 24 25 14 56.0 0.5 .
3 20 LEU 7 49 66 26 39.4 -0.5 .
3 21 ARG 7 33 45 22 48.9 0.1 .
3 22 GLU 5 18 15 10 66.7 1.1 >sigma
3 23 TYR 6 52 35 19 54.3 0.4 .
3 24 PHE 7 85 61 43 70.5 1.3 >sigma
3 25 GLY 3 17 13 9 69.2 1.2 >sigma
3 26 LYS 7 13 19 11 57.9 0.6 .
3 27 TYR 6 37 45 24 53.3 0.3 .
3 28 GLY 3 11 11 6 54.5 0.4 .
3 29 THR 4 20 9 6 66.7 1.1 >sigma
3 30 VAL 5 39 33 17 51.5 0.2 .
3 31 THR 4 27 21 14 66.7 1.1 >sigma
3 32 ASP 4 20 14 9 64.3 1.0 .
3 33 LEU 7 32 46 17 37.0 -0.6 .
3 34 LYS 7 21 22 11 50.0 0.1 .
3 35 ILE 6 28 49 15 30.6 -1.0 >sigma
3 36 MET 6 23 21 14 66.7 1.1 >sigma
3 37 LYS 7 5 19 3 15.8 -1.9 >sigma
3 38 ASP 4 9 21 7 33.3 -0.9 .
3 39 PRO 5 6 8 5 62.5 0.9 .
3 40 ALA 3 13 12 10 83.3 2.1 >sigma
3 41 THR 4 13 9 8 88.9 2.4 >sigma
3 42 GLY 3 11 11 7 63.6 0.9 .
3 43 ARG 7 23 12 8 66.7 1.1 >sigma
3 44 SER 4 12 11 5 45.5 -0.1 .
3 45 ARG 7 9 19 4 21.1 -1.6 >sigma
3 46 GLY 3 20 11 4 36.4 -0.7 .
3 47 PHE 7 39 47 21 44.7 -0.2 .
3 48 GLY 3 15 28 10 35.7 -0.7 .
3 49 PHE 7 58 52 30 57.7 0.6 .
3 50 LEU 7 66 63 27 42.9 -0.3 .
3 51 SER 4 32 20 13 65.0 1.0 .
3 52 PHE 7 77 54 30 55.6 0.4 .
3 53 GLU 5 22 22 15 68.2 1.2 >sigma
3 54 LYS 7 24 17 10 58.8 0.6 .
3 55 PRO 5 8 16 6 37.5 -0.6 .
3 56 SER 4 14 14 11 78.6 1.8 >sigma
3 57 SER 4 20 24 9 37.5 -0.6 .
3 58 VAL 5 41 36 23 63.9 0.9 .
3 59 ASP 4 12 15 11 73.3 1.5 >sigma
3 60 GLU 5 18 21 13 61.9 0.8 .
3 61 VAL 5 46 53 25 47.2 -0.0 .
3 62 VAL 5 28 29 13 44.8 -0.2 .
3 63 LYS 7 12 14 8 57.1 0.5 .
3 64 THR 4 19 14 11 78.6 1.8 >sigma
3 65 GLN 7 14 12 8 66.7 1.1 >sigma
3 66 HIS 6 39 30 19 63.3 0.9 .
3 67 ILE 6 24 29 14 48.3 0.0 .
3 68 LEU 7 37 37 16 43.2 -0.3 .
3 69 ASP 4 16 14 7 50.0 0.1 .
3 70 GLY 3 12 16 6 37.5 -0.6 .
3 71 LYS 7 21 23 10 43.5 -0.3 .
3 72 VAL 5 18 15 7 46.7 -0.1 .
3 73 ILE 6 42 57 24 42.1 -0.3 .
3 74 ASP 4 16 13 8 61.5 0.8 .
3 75 PRO 5 38 38 22 57.9 0.6 .
3 76 LYS 7 17 21 9 42.9 -0.3 .
3 77 ARG 7 14 20 10 50.0 0.1 .
3 78 ALA 3 23 27 12 44.4 -0.2 .
3 79 ILE 6 26 36 12 33.3 -0.9 .
3 80 PRO 5 9 19 5 26.3 -1.3 >sigma
3 81 ARG 7 15 11 6 54.5 0.4 .
3 82 ASP 4 11 12 7 58.3 0.6 .
3 83 GLU 5 17 26 9 34.6 -0.8 .
3 84 GLN 7 26 25 13 52.0 0.2 .
3 85 ASP 4 12 11 8 72.7 1.5 >sigma
3 86 LYS 7 10 14 8 57.1 0.5 .
3 87 THR 4 24 17 12 70.6 1.3 >sigma
3 88 GLY 3 15 11 8 72.7 1.5 >sigma
3 89 LYS 7 29 33 14 42.4 -0.3 .
3 90 ILE 6 48 61 29 47.5 -0.0 .
3 91 PHE 7 50 54 26 48.1 0.0 .
3 92 VAL 5 35 54 23 42.6 -0.3 .
3 93 GLY 3 8 20 6 30.0 -1.0 >sigma
3 94 GLY 3 6 10 3 30.0 -1.0 >sigma
3 95 ILE 6 27 44 15 34.1 -0.8 .
3 96 GLY 3 5 11 3 27.3 -1.2 >sigma
3 97 PRO 5 1 8 1 12.5 -2.1 >sigma
3 98 ASP 4 5 8 4 50.0 0.1 .
3 99 VAL 5 37 37 18 48.6 0.0 .
3 100 ARG 7 10 16 4 25.0 -1.3 >sigma
3 101 PRO 5 15 23 11 47.8 -0.0 .
3 102 LYS 7 12 12 6 50.0 0.1 .
3 103 GLU 5 18 29 13 44.8 -0.2 .
3 104 PHE 7 65 71 36 50.7 0.2 .
3 105 GLU 5 22 23 11 47.8 -0.0 .
3 106 GLU 5 12 15 7 46.7 -0.1 .
3 107 PHE 7 58 49 33 67.3 1.1 >sigma
3 108 PHE 7 70 70 37 52.9 0.3 .
3 109 SER 4 23 20 12 60.0 0.7 .
3 110 GLN 7 18 21 11 52.4 0.3 .
3 111 TRP 10 86 54 35 64.8 1.0 .
3 112 GLY 3 12 12 7 58.3 0.6 .
3 113 THR 4 18 10 6 60.0 0.7 .
3 114 ILE 6 51 45 27 60.0 0.7 .
3 115 ILE 6 20 27 14 51.9 0.2 .
3 116 ASP 4 6 18 6 33.3 -0.9 .
3 117 ALA 3 19 27 13 48.1 0.0 .
3 118 GLN 7 22 17 9 52.9 0.3 .
3 119 LEU 7 37 42 16 38.1 -0.6 .
3 120 MET 6 24 29 12 41.4 -0.4 .
3 121 LEU 7 23 14 4 28.6 -1.1 >sigma
3 122 ASP 4 5 11 2 18.2 -1.7 >sigma
3 123 LYS 7 12 14 6 42.9 -0.3 .
3 124 ASP 4 12 11 8 72.7 1.5 >sigma
3 125 THR 4 10 9 6 66.7 1.1 >sigma
3 126 GLY 3 7 7 4 57.1 0.5 .
3 127 GLN 7 17 10 5 50.0 0.1 .
3 128 SER 4 10 11 4 36.4 -0.7 .
3 129 ARG 7 0 15 0 0.0 -2.8 >sigma
3 130 GLY 3 3 10 2 20.0 -1.6 >sigma
3 131 PHE 7 30 50 14 28.0 -1.2 >sigma
3 132 GLY 3 13 26 10 38.5 -0.6 .
3 133 PHE 7 51 52 28 53.8 0.3 .
3 134 VAL 5 50 52 28 53.8 0.3 .
3 135 THR 4 27 35 17 48.6 0.0 .
3 136 TYR 6 88 48 37 77.1 1.7 >sigma
3 137 ASP 4 23 18 10 55.6 0.4 .
3 138 SER 4 13 16 6 37.5 -0.6 .
3 139 ALA 3 13 17 9 52.9 0.3 .
3 140 ASP 4 10 14 8 57.1 0.5 .
3 141 ALA 3 35 30 17 56.7 0.5 .
3 142 VAL 5 34 44 26 59.1 0.7 .
3 143 ASP 4 13 16 10 62.5 0.9 .
3 144 ARG 7 19 26 9 34.6 -0.8 .
3 145 VAL 5 49 50 24 48.0 0.0 .
3 146 CYS 4 16 17 11 64.7 1.0 .
3 147 GLN 7 9 9 6 66.7 1.1 >sigma
3 148 ASN 6 19 24 12 50.0 0.1 .
3 149 LYS 7 22 30 14 46.7 -0.1 .
3 150 PHE 7 52 35 22 62.9 0.9 .
3 151 ILE 6 64 45 27 60.0 0.7 .
3 152 ASP 4 20 7 7 100.0 3.0 >sigma
3 153 PHE 7 72 60 34 56.7 0.5 .
3 154 LYS 7 27 37 14 37.8 -0.6 .
3 155 ASP 4 8 11 5 45.5 -0.1 .
3 156 ARG 7 7 9 5 55.6 0.4 .
3 157 LYS 7 20 19 7 36.8 -0.6 .
3 158 ILE 6 43 58 23 39.7 -0.5 .
3 159 GLU 5 23 26 14 53.8 0.3 .
3 160 ILE 6 38 60 18 30.0 -1.0 >sigma
3 161 LYS 7 17 27 10 37.0 -0.6 .
3 162 ARG 7 8 18 7 38.9 -0.5 .
3 163 ALA 3 21 34 17 50.0 0.1 .
3 164 GLU 5 7 10 4 40.0 -0.5 .
3 165 PRO 5 4 9 3 33.3 -0.9 .
3 166 ARG 7 4 8 3 37.5 -0.6 .
3 167 HIS 6 3 4 1 25.0 -1.3 >sigma
stop_
save_