Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
625275 | 6feh RC | 34226 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6feh
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 268
_NOE_completeness_stats.Total_atom_count 4164
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1443
_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 52.8
_NOE_completeness_stats.Constraint_unexpanded_count 4038
_NOE_completeness_stats.Constraint_count 4064
_NOE_completeness_stats.Constraint_exp_unfiltered_count 2430
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 17
_NOE_completeness_stats.Constraint_intraresidue_count 1321
_NOE_completeness_stats.Constraint_surplus_count 14
_NOE_completeness_stats.Constraint_observed_count 2712
_NOE_completeness_stats.Constraint_expected_count 2418
_NOE_completeness_stats.Constraint_matched_count 1277
_NOE_completeness_stats.Constraint_unmatched_count 1435
_NOE_completeness_stats.Constraint_exp_nonobs_count 1141
_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 1069 1144 721 63.0 0.9 .
medium-range 1129 585 341 58.3 0.6 .
long-range 418 481 171 35.6 -0.4 .
intermolecular 96 208 44 21.2 -1.1 >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 0 0 0 0 0 0 0 0 0 0 . 0 . .
shell 2.00 2.50 82 61 1 14 13 10 4 2 5 2 . 6 74.4 74.4
shell 2.50 3.00 508 381 16 55 83 75 62 30 17 16 . 17 75.0 74.9
shell 3.00 3.50 735 416 6 35 91 98 73 43 28 14 . 24 56.6 64.8
shell 3.50 4.00 1093 419 1 23 76 100 83 53 35 20 . 25 38.3 52.8
shell 4.00 4.50 1797 502 1 14 49 103 102 95 58 27 . 51 27.9 42.2
shell 4.50 5.00 2661 416 1 6 21 55 105 90 61 37 . 39 15.6 31.9
shell 5.00 5.50 3572 194 0 6 18 25 53 31 21 14 . 26 5.4 22.9
shell 5.50 6.00 4297 87 2 3 8 14 16 16 11 6 . 11 2.0 16.8
shell 6.00 6.50 4668 71 2 4 3 9 17 11 7 7 . 9 1.5 13.1
shell 6.50 7.00 4900 42 1 1 6 6 6 6 6 5 . 5 0.9 10.6
shell 7.00 7.50 5265 33 1 2 5 5 9 5 3 2 . 1 0.6 8.9
shell 7.50 8.00 5956 21 0 3 1 3 3 5 3 2 . 0 0.4 7.4
shell 8.00 8.50 6473 13 0 1 2 3 4 0 0 0 . 3 0.2 6.3
shell 8.50 9.00 6770 10 0 0 0 0 2 1 2 1 . 4 0.1 5.5
sums . . 48777 2666 32 167 376 506 539 388 257 153 . 221 . .
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 MET 6 0 3 0 0.0 -2.5 >sigma
1 2 SER 4 0 7 0 0.0 -2.5 >sigma
1 3 TYR 6 0 8 0 0.0 -2.5 >sigma
1 4 TYR 6 0 8 0 0.0 -2.5 >sigma
1 5 HIS 6 0 8 0 0.0 -2.5 >sigma
1 6 HIS 6 0 8 0 0.0 -2.5 >sigma
1 7 HIS 6 0 8 0 0.0 -2.5 >sigma
1 8 HIS 6 0 8 0 0.0 -2.5 >sigma
1 9 HIS 6 0 8 0 0.0 -2.5 >sigma
1 10 HIS 6 3 8 2 25.0 -1.3 >sigma
1 11 ASP 4 12 7 4 57.1 0.2 .
1 12 TYR 6 10 7 4 57.1 0.2 .
1 13 ASP 4 10 8 4 50.0 -0.2 .
1 14 ILE 6 9 9 3 33.3 -0.9 .
1 15 PRO 5 20 9 3 33.3 -0.9 .
1 16 THR 4 6 7 3 42.9 -0.5 .
1 17 THR 4 16 6 3 50.0 -0.2 .
1 18 GLU 5 21 7 3 42.9 -0.5 .
1 19 ASN 6 16 8 3 37.5 -0.7 .
1 20 LEU 7 21 8 3 37.5 -0.7 .
1 21 TYR 6 21 8 3 37.5 -0.7 .
1 22 PHE 7 15 8 4 50.0 -0.2 .
1 23 GLN 7 17 9 5 55.6 0.1 .
1 24 GLY 3 13 8 4 50.0 -0.2 .
1 25 ALA 3 22 6 2 33.3 -0.9 .
1 26 MET 6 10 7 1 14.3 -1.8 >sigma
1 27 GLY 3 5 7 1 14.3 -1.8 >sigma
1 28 ILE 6 20 8 3 37.5 -0.7 .
1 29 LEU 7 19 9 4 44.4 -0.4 .
1 30 GLY 3 10 7 3 42.9 -0.5 .
1 31 SER 4 15 7 4 57.1 0.2 .
1 32 GLY 3 3 7 3 42.9 -0.5 .
1 33 GLN 7 9 7 1 14.3 -1.8 >sigma
1 34 LYS 7 11 9 5 55.6 0.1 .
1 35 HIS 6 11 10 8 80.0 1.2 >sigma
1 36 PHE 7 14 14 8 57.1 0.2 .
1 37 GLU 5 22 16 12 75.0 1.0 .
1 38 LYS 7 20 20 9 45.0 -0.4 .
1 39 ARG 7 17 23 9 39.1 -0.7 .
1 40 ARG 7 27 30 15 50.0 -0.2 .
1 41 ASN 6 19 14 10 71.4 0.8 .
1 42 PRO 5 18 29 10 34.5 -0.9 .
1 43 ALA 3 23 28 14 50.0 -0.2 .
1 44 ALA 3 30 30 17 56.7 0.1 .
1 45 GLY 3 10 25 6 24.0 -1.4 >sigma
1 46 LEU 7 31 41 19 46.3 -0.3 .
1 47 ILE 6 35 44 21 47.7 -0.3 .
1 48 GLN 7 22 32 10 31.3 -1.0 >sigma
1 49 SER 4 18 15 9 60.0 0.3 .
1 50 ALA 3 32 23 15 65.2 0.5 .
1 51 TRP 10 22 22 11 50.0 -0.2 .
1 52 ARG 7 20 16 10 62.5 0.4 .
1 53 PHE 7 31 31 11 35.5 -0.8 .
1 54 TYR 6 22 23 10 43.5 -0.5 .
1 55 ALA 3 38 14 11 78.6 1.1 >sigma
1 56 THR 4 29 15 12 80.0 1.2 >sigma
1 57 ASN 6 28 14 7 50.0 -0.2 .
1 58 LEU 7 21 11 7 63.6 0.5 .
1 59 SER 4 19 10 7 70.0 0.7 .
1 60 ARG 7 20 9 6 66.7 0.6 .
1 61 THR 4 16 9 7 77.8 1.1 >sigma
1 62 ASP 4 17 8 7 87.5 1.5 >sigma
1 63 LEU 7 15 8 4 50.0 -0.2 .
1 64 HIS 6 8 10 1 10.0 -2.0 >sigma
1 65 SER 4 8 11 3 27.3 -1.2 >sigma
1 66 THR 4 15 13 3 23.1 -1.4 >sigma
1 67 TRP 10 8 15 3 20.0 -1.5 >sigma
1 68 GLN 7 18 15 9 60.0 0.3 .
1 69 TYR 6 24 15 9 60.0 0.3 .
1 70 TYR 6 27 13 6 46.2 -0.3 .
1 71 GLU 5 25 14 9 64.3 0.5 .
1 72 ARG 7 23 13 10 76.9 1.1 >sigma
1 73 THR 4 26 10 6 60.0 0.3 .
1 74 VAL 5 23 9 5 55.6 0.1 .
1 75 THR 4 28 7 6 85.7 1.5 >sigma
1 76 VAL 5 11 8 7 87.5 1.5 >sigma
1 77 PRO 5 11 10 6 60.0 0.3 .
1 78 MET 6 12 9 4 44.4 -0.4 .
1 79 TYR 6 9 8 5 62.5 0.4 .
1 80 ARG 7 10 9 3 33.3 -0.9 .
1 81 GLY 3 3 8 1 12.5 -1.9 >sigma
1 82 LEU 7 9 7 1 14.3 -1.8 >sigma
1 83 GLU 5 5 7 2 28.6 -1.1 >sigma
1 84 ASP 4 8 7 5 71.4 0.8 .
1 85 LEU 7 12 7 5 71.4 0.8 .
1 86 THR 4 21 9 6 66.7 0.6 .
1 87 PRO 5 12 11 9 81.8 1.3 >sigma
1 88 GLY 3 20 14 11 78.6 1.1 >sigma
1 89 LEU 7 23 9 6 66.7 0.6 .
1 90 LYS 7 35 14 11 78.6 1.1 >sigma
1 91 VAL 5 28 34 20 58.8 0.2 .
1 92 SER 4 21 22 9 40.9 -0.6 .
1 93 ILE 6 26 35 11 31.4 -1.0 >sigma
1 94 ARG 7 31 39 14 35.9 -0.8 .
1 95 ALA 3 30 24 16 66.7 0.6 .
1 96 VAL 5 33 36 19 52.8 -0.0 .
1 97 CYS 4 16 23 10 43.5 -0.5 .
1 98 VAL 5 44 25 17 68.0 0.7 .
1 99 MET 6 35 37 19 51.4 -0.1 .
1 100 ARG 7 19 18 8 44.4 -0.4 .
1 101 PHE 7 21 40 10 25.0 -1.3 >sigma
1 102 LEU 7 24 27 9 33.3 -0.9 .
1 103 VAL 5 7 30 1 3.3 -2.3 >sigma
1 104 SER 4 8 22 6 27.3 -1.2 >sigma
1 105 LYS 7 30 31 17 54.8 0.1 .
1 106 ARG 7 24 21 11 52.4 -0.1 .
1 107 LYS 7 21 19 10 52.6 -0.0 .
1 108 PHE 7 24 39 13 33.3 -0.9 .
1 109 LYS 7 19 17 11 64.7 0.5 .
1 110 GLU 5 19 18 11 61.1 0.3 .
1 111 SER 4 12 14 7 50.0 -0.2 .
1 112 LEU 7 18 24 8 33.3 -0.9 .
1 113 ARG 7 13 13 5 38.5 -0.7 .
1 114 LEU 7 7 7 1 14.3 -1.8 >sigma
1 115 ASP 4 5 2 1 50.0 -0.2 .
2 2 ALA 3 0 2 0 0.0 -2.5 >sigma
2 3 ASP 4 1 5 1 20.0 -1.5 >sigma
2 4 GLN 7 9 7 2 28.6 -1.1 >sigma
2 5 LEU 7 6 7 3 42.9 -0.5 .
2 6 THR 4 21 12 10 83.3 1.4 >sigma
2 7 GLU 5 12 11 8 72.7 0.9 .
2 8 GLU 5 15 17 10 58.8 0.2 .
2 9 GLN 7 28 21 14 66.7 0.6 .
2 10 ILE 6 31 35 14 40.0 -0.6 .
2 11 ALA 3 16 14 7 50.0 -0.2 .
2 12 GLU 5 21 22 12 54.5 0.0 .
2 13 PHE 7 26 49 15 30.6 -1.1 >sigma
2 14 LYS 7 30 28 16 57.1 0.2 .
2 15 GLU 5 24 16 14 87.5 1.5 >sigma
2 16 ALA 3 26 28 15 53.6 -0.0 .
2 17 PHE 7 33 51 18 35.3 -0.8 .
2 18 SER 4 17 15 10 66.7 0.6 .
2 19 LEU 7 24 20 11 55.0 0.1 .
2 20 PHE 7 25 48 14 29.2 -1.1 >sigma
2 21 ASP 4 23 13 10 76.9 1.1 >sigma
2 22 LYS 7 18 16 10 62.5 0.4 .
2 23 ASP 4 17 9 8 88.9 1.6 >sigma
2 24 GLY 3 12 9 8 88.9 1.6 >sigma
2 25 ASP 4 12 7 6 85.7 1.5 >sigma
2 26 GLY 3 11 7 6 85.7 1.5 >sigma
2 27 THR 4 22 14 10 71.4 0.8 .
2 28 ILE 6 50 51 32 62.7 0.4 .
2 29 THR 4 30 22 17 77.3 1.1 >sigma
2 30 THR 4 40 34 26 76.5 1.0 >sigma
2 31 LYS 7 23 20 14 70.0 0.7 .
2 32 GLU 5 28 22 17 77.3 1.1 >sigma
2 33 LEU 7 49 51 35 68.6 0.7 .
2 34 GLY 3 26 20 14 70.0 0.7 .
2 35 THR 4 26 19 14 73.7 0.9 .
2 36 VAL 5 39 42 28 66.7 0.6 .
2 37 MET 6 45 46 29 63.0 0.4 .
2 38 ARG 7 25 16 9 56.3 0.1 .
2 39 SER 4 16 15 11 73.3 0.9 .
2 40 LEU 7 32 36 19 52.8 -0.0 .
2 41 GLY 3 16 11 6 54.5 0.0 .
2 42 GLN 7 18 21 9 42.9 -0.5 .
2 43 ASN 6 19 5 4 80.0 1.2 >sigma
2 44 PRO 5 16 28 12 42.9 -0.5 .
2 45 THR 4 24 16 15 93.8 1.8 >sigma
2 46 GLU 5 15 21 10 47.6 -0.3 .
2 47 ALA 3 19 17 14 82.4 1.3 >sigma
2 48 GLU 5 23 24 16 66.7 0.6 .
2 49 LEU 7 46 53 31 58.5 0.2 .
2 50 GLN 7 27 22 18 81.8 1.3 >sigma
2 51 ASP 4 20 15 11 73.3 0.9 .
2 52 MET 6 28 39 20 51.3 -0.1 .
2 53 ILE 6 47 38 30 78.9 1.2 >sigma
2 54 ASN 6 16 13 11 84.6 1.4 >sigma
2 55 GLU 5 15 22 10 45.5 -0.4 .
2 56 VAL 5 30 37 21 56.8 0.1 .
2 57 ASP 4 25 15 10 66.7 0.6 .
2 58 ALA 3 13 7 7 100.0 2.1 >sigma
2 59 ASP 4 12 8 7 87.5 1.5 >sigma
2 60 GLY 3 13 10 7 70.0 0.7 .
2 61 ASN 6 13 12 8 66.7 0.6 .
2 62 GLY 3 12 10 8 80.0 1.2 >sigma
2 63 THR 4 20 16 11 68.8 0.7 .
2 64 ILE 6 51 51 30 58.8 0.2 .
2 65 ASP 4 14 15 7 46.7 -0.3 .
2 66 PHE 7 15 45 8 17.8 -1.6 >sigma
2 67 PRO 5 10 22 7 31.8 -1.0 .
2 68 GLU 5 27 26 15 57.7 0.2 .
2 69 PHE 7 28 60 16 26.7 -1.2 >sigma
2 70 LEU 7 37 37 18 48.6 -0.2 .
2 71 THR 4 22 17 14 82.4 1.3 >sigma
2 72 MET 6 34 41 20 48.8 -0.2 .
2 73 MET 6 33 40 18 45.0 -0.4 .
2 74 ALA 3 22 14 8 57.1 0.2 .
2 75 ARG 7 17 10 6 60.0 0.3 .
2 76 LYS 7 28 9 7 77.8 1.1 >sigma
2 77 MET 6 28 9 7 77.8 1.1 >sigma
2 78 LYS 7 33 8 6 75.0 1.0 .
2 79 ASP 4 29 8 5 62.5 0.4 .
2 80 THR 4 19 8 6 75.0 1.0 .
2 81 ASP 4 14 8 8 100.0 2.1 >sigma
2 82 SER 4 25 8 7 87.5 1.5 >sigma
2 83 GLU 5 22 17 9 52.9 -0.0 .
2 84 GLU 5 8 14 4 28.6 -1.1 >sigma
2 85 GLU 5 12 13 5 38.5 -0.7 .
2 86 ILE 6 41 34 21 61.8 0.4 .
2 87 ARG 7 33 29 18 62.1 0.4 .
2 88 GLU 5 31 17 12 70.6 0.8 .
2 89 ALA 3 33 20 16 80.0 1.2 >sigma
2 90 PHE 7 33 48 12 25.0 -1.3 >sigma
2 91 ARG 7 32 19 12 63.2 0.4 .
2 92 VAL 5 30 29 12 41.4 -0.6 .
2 93 PHE 7 25 46 10 21.7 -1.5 >sigma
2 94 ASP 4 19 14 8 57.1 0.2 .
2 95 LYS 7 27 9 6 66.7 0.6 .
2 96 ASP 4 16 7 5 71.4 0.8 .
2 97 GLY 3 11 7 4 57.1 0.2 .
2 98 ASN 6 13 10 4 40.0 -0.6 .
2 99 GLY 3 8 7 2 28.6 -1.1 >sigma
2 100 TYR 6 27 22 11 50.0 -0.2 .
2 101 ILE 6 57 41 27 65.9 0.6 .
2 102 SER 4 31 16 10 62.5 0.4 .
2 103 ALA 3 23 19 14 73.7 0.9 .
2 104 ALA 3 19 14 12 85.7 1.5 >sigma
2 105 GLU 5 28 25 16 64.0 0.5 .
2 106 LEU 7 47 41 32 78.0 1.1 >sigma
2 107 ARG 7 25 24 13 54.2 0.0 .
2 108 HIS 6 22 13 10 76.9 1.1 >sigma
2 109 VAL 5 46 29 21 72.4 0.9 .
2 110 MET 6 34 38 22 57.9 0.2 .
2 111 THR 4 24 15 10 66.7 0.6 .
2 112 ASN 6 18 14 5 35.7 -0.8 .
2 113 LEU 7 36 26 14 53.8 0.0 .
2 114 GLY 3 13 17 5 29.4 -1.1 >sigma
2 115 GLU 5 13 17 5 29.4 -1.1 >sigma
2 116 LYS 7 21 13 8 61.5 0.4 .
2 117 LEU 7 36 27 12 44.4 -0.4 .
2 118 THR 4 23 12 9 75.0 1.0 .
2 119 ASP 4 16 11 9 81.8 1.3 >sigma
2 120 GLU 5 17 15 10 66.7 0.6 .
2 121 GLU 5 23 23 14 60.9 0.3 .
2 122 VAL 5 39 36 17 47.2 -0.3 .
2 123 ASP 4 20 15 11 73.3 0.9 .
2 124 GLU 5 21 18 10 55.6 0.1 .
2 125 MET 6 23 32 14 43.8 -0.5 .
2 126 ILE 6 25 21 11 52.4 -0.1 .
2 127 ARG 7 25 21 13 61.9 0.4 .
2 128 GLU 5 18 17 10 58.8 0.2 .
2 129 ALA 3 16 13 8 61.5 0.4 .
2 130 ASP 4 8 6 5 83.3 1.4 >sigma
2 131 ILE 6 18 8 5 62.5 0.4 .
2 132 ASP 4 9 7 4 57.1 0.2 .
2 133 GLY 3 12 6 5 83.3 1.4 >sigma
2 134 ASP 4 6 7 2 28.6 -1.1 >sigma
2 135 GLY 3 5 9 2 22.2 -1.4 >sigma
2 136 GLN 7 12 14 7 50.0 -0.2 .
2 137 VAL 5 39 24 16 66.7 0.6 .
2 138 ASN 6 25 12 8 66.7 0.6 .
2 139 TYR 6 29 40 12 30.0 -1.1 >sigma
2 140 GLU 5 19 18 11 61.1 0.3 .
2 141 GLU 5 23 13 10 76.9 1.1 >sigma
2 142 PHE 7 26 33 11 33.3 -0.9 .
2 143 VAL 5 49 42 27 64.3 0.5 .
2 144 GLN 7 23 20 14 70.0 0.7 .
2 145 MET 6 24 17 13 76.5 1.0 >sigma
2 146 MET 6 34 28 17 60.7 0.3 .
2 147 THR 4 37 18 12 66.7 0.6 .
2 148 ALA 3 10 12 7 58.3 0.2 .
2 149 LYS 7 4 4 1 25.0 -1.3 >sigma
stop_
save_