NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484577 |
2ipa   |
15028 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2ipa
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 21
_NOE_completeness_stats.Residue_count 243
_NOE_completeness_stats.Total_atom_count 3743
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1310
_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 48.6
_NOE_completeness_stats.Constraint_unexpanded_count 5164
_NOE_completeness_stats.Constraint_count 7199
_NOE_completeness_stats.Constraint_exp_unfiltered_count 4350
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 140
_NOE_completeness_stats.Constraint_intraresidue_count 945
_NOE_completeness_stats.Constraint_surplus_count 928
_NOE_completeness_stats.Constraint_observed_count 5186
_NOE_completeness_stats.Constraint_expected_count 3900
_NOE_completeness_stats.Constraint_matched_count 1895
_NOE_completeness_stats.Constraint_unmatched_count 3291
_NOE_completeness_stats.Constraint_exp_nonobs_count 2005
_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 1550 1041 710 68.2 1.1 >sigma
medium-range 1354 792 414 52.3 0.3 .
long-range 2225 1921 740 38.5 -0.3 .
intermolecular 57 146 31 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 15 15 0 11 0 2 0 0 0 2 . 0 100.0 100.0
shell 2.00 2.50 416 319 0 182 0 64 0 37 0 36 . 0 76.7 77.5
shell 2.50 3.00 734 453 0 180 0 153 0 72 0 48 . 0 61.7 67.6
shell 3.00 3.50 1013 459 0 72 0 150 0 141 0 96 . 0 45.3 57.2
shell 3.50 4.00 1722 649 0 39 0 170 0 245 0 195 . 0 37.7 48.6
shell 4.00 4.50 2590 762 0 26 0 72 0 313 0 351 . 0 29.4 40.9
shell 4.50 5.00 3597 802 0 18 0 49 0 295 0 440 . 0 22.3 34.3
shell 5.00 5.50 4284 623 0 2 0 34 0 148 0 439 . 0 14.5 28.4
shell 5.50 6.00 4814 351 0 6 0 14 0 79 0 252 . 0 7.3 23.1
shell 6.00 6.50 5489 217 0 10 0 9 0 45 0 153 . 0 4.0 18.8
shell 6.50 7.00 5994 93 0 5 0 6 0 18 0 64 . 0 1.6 15.5
shell 7.00 7.50 6799 82 0 3 0 11 0 18 0 50 . 0 1.2 12.9
shell 7.50 8.00 7385 44 0 3 0 6 0 16 0 19 . 0 0.6 10.9
shell 8.00 8.50 8006 20 0 4 0 2 0 3 0 11 . 0 0.2 9.2
shell 8.50 9.00 8620 16 0 4 0 3 0 1 0 8 . 0 0.2 8.0
sums . . 61478 4905 0 565 0 745 0 1,431 0 2,164 . 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 MET 6 0 5 0 0.0 -3.0 >sigma
1 2 ALA 3 11 8 4 50.0 -0.0 .
1 3 ILE 6 74 46 31 67.4 1.0 .
1 4 VAL 5 53 35 20 57.1 0.4 .
1 5 LYS 7 38 14 9 64.3 0.8 .
1 6 ALA 3 60 36 23 63.9 0.8 .
1 7 THR 4 35 21 11 52.4 0.1 .
1 8 ASP 4 29 17 9 52.9 0.1 .
1 9 GLN 7 28 15 10 66.7 1.0 .
1 10 SER 4 31 21 13 61.9 0.7 .
1 11 PHE 7 51 54 24 44.4 -0.4 .
1 12 SER 4 31 15 12 80.0 1.7 >sigma
1 13 ALA 3 34 16 12 75.0 1.4 >sigma
1 14 GLU 5 41 33 18 54.5 0.2 .
1 15 THR 4 60 36 25 69.4 1.1 >sigma
1 16 SER 4 40 12 9 75.0 1.4 >sigma
1 17 GLU 5 40 13 11 84.6 2.0 >sigma
1 18 GLY 3 28 10 8 80.0 1.7 >sigma
1 19 VAL 5 77 44 23 52.3 0.1 .
1 20 VAL 5 86 47 30 63.8 0.8 .
1 21 LEU 7 94 74 31 41.9 -0.5 .
1 22 ALA 3 66 33 24 72.7 1.3 >sigma
1 23 ASP 4 48 27 14 51.9 0.1 .
1 24 PHE 7 53 71 27 38.0 -0.7 .
1 25 TRP 10 57 52 22 42.3 -0.5 .
1 26 ALA 3 41 33 18 54.5 0.2 .
1 27 PRO 5 33 13 9 69.2 1.1 >sigma
1 28 TRP 10 27 32 11 34.4 -1.0 .
1 29 CYS 4 23 24 5 20.8 -1.8 >sigma
1 30 GLY 3 12 10 4 40.0 -0.6 .
1 31 PRO 5 19 41 10 24.4 -1.5 >sigma
1 32 SER 4 20 34 8 23.5 -1.6 >sigma
1 33 LYS 7 48 28 14 50.0 -0.0 .
1 34 MET 6 34 34 18 52.9 0.1 .
1 35 ILE 6 95 60 30 50.0 -0.0 .
1 36 ALA 3 52 26 18 69.2 1.1 >sigma
1 37 PRO 5 45 22 19 86.4 2.1 >sigma
1 38 VAL 5 69 50 33 66.0 0.9 .
1 39 LEU 7 83 71 30 42.3 -0.5 .
1 40 GLU 5 56 32 20 62.5 0.7 .
1 41 GLU 5 57 28 14 50.0 -0.0 .
1 42 LEU 7 104 73 41 56.2 0.3 .
1 43 ASP 4 53 30 20 66.7 1.0 .
1 44 GLN 7 29 18 9 50.0 -0.0 .
1 45 GLU 5 54 27 17 63.0 0.7 .
1 46 MET 6 84 60 39 65.0 0.9 .
1 47 GLY 3 34 14 10 71.4 1.2 >sigma
1 48 ASP 4 34 15 10 66.7 1.0 .
1 49 LYS 7 59 39 23 59.0 0.5 .
1 50 LEU 7 81 62 29 46.8 -0.2 .
1 51 LYS 7 73 41 18 43.9 -0.4 .
1 52 ILE 6 111 71 40 56.3 0.3 .
1 53 VAL 5 83 55 34 61.8 0.7 .
1 54 LYS 7 80 52 22 42.3 -0.5 .
1 55 ILE 6 92 62 27 43.5 -0.4 .
1 56 ASP 4 39 22 14 63.6 0.8 .
1 57 VAL 5 52 59 21 35.6 -0.9 .
1 58 ASP 4 34 20 11 55.0 0.3 .
1 59 GLU 5 40 17 13 76.5 1.5 >sigma
1 60 ASN 6 61 27 19 70.4 1.2 >sigma
1 61 GLN 7 51 41 16 39.0 -0.7 .
1 62 GLU 5 57 21 12 57.1 0.4 .
1 63 THR 4 45 37 14 37.8 -0.7 .
1 64 ALA 3 46 42 25 59.5 0.5 .
1 65 GLY 3 27 22 7 31.8 -1.1 >sigma
1 66 LYS 7 47 23 8 34.8 -0.9 .
1 67 TYR 6 29 26 11 42.3 -0.5 .
1 68 GLY 3 19 15 7 46.7 -0.2 .
1 69 VAL 5 60 47 25 53.2 0.2 .
1 70 MET 6 41 55 14 25.5 -1.5 >sigma
1 71 SER 4 44 29 17 58.6 0.5 .
1 72 ILE 6 64 58 28 48.3 -0.1 .
1 73 PRO 5 18 43 8 18.6 -1.9 >sigma
1 74 THR 4 52 34 20 58.8 0.5 .
1 75 LEU 7 98 51 27 52.9 0.1 .
1 76 LEU 7 73 64 30 46.9 -0.2 .
1 77 VAL 5 72 50 34 68.0 1.0 >sigma
1 78 LEU 7 86 52 30 57.7 0.4 .
1 79 LYS 7 78 45 26 57.8 0.4 .
1 80 ASP 4 42 12 11 91.7 2.4 >sigma
1 81 GLY 3 28 12 10 83.3 1.9 >sigma
1 82 GLU 5 53 13 10 76.9 1.6 >sigma
1 83 VAL 5 51 37 20 54.1 0.2 .
1 84 VAL 5 51 35 23 65.7 0.9 .
1 85 GLU 5 47 33 20 60.6 0.6 .
1 86 THR 4 51 20 14 70.0 1.2 >sigma
1 87 SER 4 29 24 13 54.2 0.2 .
1 88 VAL 5 32 27 11 40.7 -0.6 .
1 89 GLY 3 16 11 6 54.5 0.2 .
1 90 PHE 7 21 38 6 15.8 -2.0 >sigma
1 91 LYS 7 55 42 16 38.1 -0.7 .
1 92 PRO 5 36 20 14 70.0 1.2 >sigma
1 93 LYS 7 68 56 20 35.7 -0.9 .
1 94 GLU 5 39 21 14 66.7 1.0 .
1 95 ALA 3 54 24 20 83.3 1.9 >sigma
1 96 LEU 7 76 63 24 38.1 -0.7 .
1 97 GLN 7 67 46 22 47.8 -0.2 .
1 98 GLU 5 57 25 17 68.0 1.0 >sigma
1 99 LEU 7 83 49 24 49.0 -0.1 .
1 100 VAL 5 92 55 26 47.3 -0.2 .
1 101 ASN 6 54 28 21 75.0 1.4 >sigma
1 102 LYS 7 47 27 16 59.3 0.5 .
1 103 HIS 6 38 30 18 60.0 0.6 .
1 104 LEU 7 59 54 26 48.1 -0.1 .
2 1 MET 6 0 3 0 0.0 -3.0 >sigma
2 2 GLU 5 14 8 2 25.0 -1.5 >sigma
2 3 ASN 6 39 19 9 47.4 -0.2 .
2 4 LYS 7 48 30 13 43.3 -0.4 .
2 5 ILE 6 73 43 29 67.4 1.0 >sigma
2 6 ILE 6 67 57 31 54.4 0.2 .
2 7 TYR 6 40 65 20 30.8 -1.2 >sigma
2 8 PHE 7 32 70 14 20.0 -1.8 >sigma
2 9 LEU 7 43 51 19 37.3 -0.8 .
2 10 SER 4 14 19 5 26.3 -1.4 >sigma
2 11 THR 4 28 21 9 42.9 -0.4 .
2 12 GLY 3 15 21 9 42.9 -0.4 .
2 13 ASN 6 21 36 5 13.9 -2.2 >sigma
2 14 SER 4 9 14 6 42.9 -0.4 .
2 15 ALA 3 27 34 13 38.2 -0.7 .
2 16 ARG 7 17 50 8 16.0 -2.0 >sigma
2 17 SER 4 12 31 5 16.1 -2.0 >sigma
2 18 GLN 7 42 43 17 39.5 -0.6 .
2 19 MET 6 56 62 27 43.5 -0.4 .
2 20 ALA 3 47 37 19 51.4 0.1 .
2 21 GLU 5 40 30 13 43.3 -0.4 .
2 22 GLY 3 22 20 10 50.0 -0.0 .
2 23 TRP 10 74 65 27 41.5 -0.5 .
2 24 ALA 3 56 39 24 61.5 0.7 .
2 25 LYS 7 55 24 10 41.7 -0.5 .
2 26 GLN 7 58 28 16 57.1 0.4 .
2 27 TYR 6 41 26 13 50.0 -0.0 .
2 28 LEU 7 63 49 23 46.9 -0.2 .
2 29 GLY 3 34 8 6 75.0 1.4 >sigma
2 30 ASP 4 19 6 5 83.3 1.9 >sigma
2 31 GLU 5 42 23 16 69.6 1.1 >sigma
2 32 TRP 10 60 51 23 45.1 -0.3 .
2 33 LYS 7 50 30 16 53.3 0.2 .
2 34 VAL 5 44 35 16 45.7 -0.3 .
2 35 TYR 6 24 25 10 40.0 -0.6 .
2 36 SER 4 19 24 7 29.2 -1.3 >sigma
2 37 ALA 3 40 29 17 58.6 0.5 .
2 38 GLY 3 18 26 10 38.5 -0.7 .
2 39 ILE 6 61 57 27 47.4 -0.2 .
2 40 GLU 5 33 20 12 60.0 0.6 .
2 41 ALA 3 27 32 14 43.8 -0.4 .
2 42 HIS 6 11 14 4 28.6 -1.3 >sigma
2 43 GLY 3 14 9 5 55.6 0.3 .
2 44 LEU 7 46 33 17 51.5 0.1 .
2 45 ASN 6 31 27 14 51.9 0.1 .
2 46 PRO 5 29 12 11 91.7 2.4 >sigma
2 47 ASN 6 49 36 17 47.2 -0.2 .
2 48 ALA 3 65 36 29 80.6 1.8 >sigma
2 49 VAL 5 56 42 29 69.0 1.1 >sigma
2 50 LYS 7 85 33 18 54.5 0.2 .
2 51 ALA 3 47 31 18 58.1 0.4 .
2 52 MET 6 66 53 24 45.3 -0.3 .
2 53 LYS 7 44 34 15 44.1 -0.4 .
2 54 GLU 5 44 29 12 41.4 -0.5 .
2 55 VAL 5 41 34 19 55.9 0.3 .
2 56 GLY 3 19 9 5 55.6 0.3 .
2 57 ILE 6 74 39 24 61.5 0.7 .
2 58 ASP 4 18 14 6 42.9 -0.4 .
2 59 ILE 6 69 60 29 48.3 -0.1 .
2 60 SER 4 22 17 12 70.6 1.2 >sigma
2 61 ASN 6 15 8 7 87.5 2.2 >sigma
2 62 GLN 7 34 38 16 42.1 -0.5 .
2 63 THR 4 10 8 4 50.0 -0.0 .
2 64 SER 4 13 21 5 23.8 -1.6 >sigma
2 65 ASP 4 19 14 7 50.0 -0.0 .
2 66 ILE 6 43 22 15 68.2 1.0 >sigma
2 67 ILE 6 75 54 25 46.3 -0.2 .
2 68 ASP 4 23 16 7 43.8 -0.4 .
2 69 SER 4 32 23 11 47.8 -0.2 .
2 70 ASP 4 28 15 13 86.7 2.1 >sigma
2 71 ILE 6 63 39 24 61.5 0.7 .
2 72 LEU 7 63 62 26 41.9 -0.5 .
2 73 ASN 6 35 31 19 61.3 0.6 .
2 74 ASN 6 34 23 14 60.9 0.6 .
2 75 ALA 3 50 29 24 82.8 1.9 >sigma
2 76 ASP 4 19 14 8 57.1 0.4 .
2 77 LEU 7 54 64 24 37.5 -0.8 .
2 78 VAL 5 71 53 28 52.8 0.1 .
2 79 VAL 5 51 48 22 45.8 -0.3 .
2 80 THR 4 47 23 10 43.5 -0.4 .
2 81 LEU 7 42 47 16 34.0 -1.0 .
2 82 SER 4 18 21 7 33.3 -1.0 >sigma
2 83 GLY 3 5 9 3 33.3 -1.0 >sigma
2 84 ASP 4 8 7 2 28.6 -1.3 >sigma
2 85 ALA 3 12 7 1 14.3 -2.1 >sigma
2 86 ALA 3 16 11 4 36.4 -0.8 .
2 87 ASP 4 18 21 9 42.9 -0.4 .
2 88 LYS 7 36 52 17 32.7 -1.0 >sigma
2 89 CYS 4 6 15 2 13.3 -2.2 >sigma
2 90 PRO 5 25 39 10 25.6 -1.5 >sigma
2 91 MET 6 40 61 21 34.4 -0.9 .
2 92 THR 4 42 41 20 48.8 -0.1 .
2 93 PRO 5 33 39 13 33.3 -1.0 >sigma
2 94 PRO 5 18 13 7 53.8 0.2 .
2 95 HIS 6 14 14 5 35.7 -0.9 .
2 96 VAL 5 47 30 15 50.0 -0.0 .
2 97 LYS 7 42 33 11 33.3 -1.0 >sigma
2 98 ARG 7 45 36 17 47.2 -0.2 .
2 99 GLU 5 24 20 7 35.0 -0.9 .
2 100 HIS 6 14 16 7 43.8 -0.4 .
2 101 TRP 10 21 38 9 23.7 -1.6 >sigma
2 102 GLY 3 7 14 4 28.6 -1.3 >sigma
2 103 PHE 7 6 8 3 37.5 -0.8 .
2 104 ASP 4 16 8 4 50.0 -0.0 .
2 105 ASP 4 8 22 4 18.2 -1.9 >sigma
2 106 PRO 5 56 54 24 44.4 -0.4 .
2 107 ALA 3 42 22 16 72.7 1.3 >sigma
2 108 ARG 7 34 19 11 57.9 0.4 .
2 109 ALA 3 40 32 16 50.0 -0.0 .
2 110 GLN 7 23 25 6 24.0 -1.6 >sigma
2 111 GLY 3 17 18 9 50.0 -0.0 .
2 112 THR 4 38 25 16 64.0 0.8 .
2 113 GLU 5 30 14 9 64.3 0.8 .
2 114 GLU 5 23 23 14 60.9 0.6 .
2 115 GLU 5 44 41 20 48.8 -0.1 .
2 116 LYS 7 51 30 16 53.3 0.2 .
2 117 TRP 10 48 33 18 54.5 0.2 .
2 118 ALA 3 38 19 11 57.9 0.4 .
2 119 PHE 7 30 45 15 33.3 -1.0 >sigma
2 120 PHE 7 48 51 19 37.3 -0.8 .
2 121 GLN 7 37 31 12 38.7 -0.7 .
2 122 ARG 7 31 21 12 57.1 0.4 .
2 123 VAL 5 65 47 29 61.7 0.7 .
2 124 ARG 7 33 62 13 21.0 -1.7 >sigma
2 125 ASP 4 23 16 9 56.3 0.3 .
2 126 GLU 5 30 21 11 52.4 0.1 .
2 127 ILE 6 74 61 31 50.8 0.0 .
2 128 GLY 3 38 21 10 47.6 -0.2 .
2 129 ASN 6 34 17 12 70.6 1.2 >sigma
2 130 ARG 7 14 27 6 22.2 -1.7 >sigma
2 131 LEU 7 87 64 28 43.8 -0.4 .
2 132 LYS 7 54 31 17 54.8 0.3 .
2 133 GLU 5 50 22 12 54.5 0.2 .
2 134 PHE 7 35 40 14 35.0 -0.9 .
2 135 ALA 3 53 23 18 78.3 1.6 >sigma
2 136 GLU 5 40 19 15 78.9 1.7 >sigma
2 137 THR 4 42 21 14 66.7 1.0 .
2 138 GLY 3 16 9 6 66.7 1.0 .
2 139 LYS 7 29 32 12 37.5 -0.8 .
stop_
save_
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