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 |
|
|
610532 |
5t1o   |
30159 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_5t1o
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 341
_NOE_completeness_stats.Total_atom_count 5287
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1846
_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 4.7
_NOE_completeness_stats.Constraint_unexpanded_count 706
_NOE_completeness_stats.Constraint_count 706
_NOE_completeness_stats.Constraint_exp_unfiltered_count 3656
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 330
_NOE_completeness_stats.Constraint_intraresidue_count 0
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 376
_NOE_completeness_stats.Constraint_expected_count 3656
_NOE_completeness_stats.Constraint_matched_count 172
_NOE_completeness_stats.Constraint_unmatched_count 204
_NOE_completeness_stats.Constraint_exp_nonobs_count 3484
_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 175 1419 141 9.9 1.4 >sigma
medium-range 143 913 18 2.0 -0.3 .
long-range 58 1277 13 1.0 -0.4 .
intermolecular 0 47 0 0.0 -0.7 .
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 10 1 0 0 0 1 0 0 0 0 . 0 10.0 10.0
shell 2.00 2.50 227 21 0 1 14 5 1 0 0 0 . 0 9.3 9.3
shell 2.50 3.00 610 111 0 1 38 54 13 4 0 1 . 0 18.2 15.7
shell 3.00 3.50 1000 7 0 0 3 2 2 0 0 0 . 0 0.7 7.6
shell 3.50 4.00 1809 32 0 0 0 8 17 7 0 0 . 0 1.8 4.7
shell 4.00 4.50 2979 110 0 0 0 4 65 30 8 0 . 3 3.7 4.3
shell 4.50 5.00 4476 63 0 0 0 0 3 28 25 4 . 3 1.4 3.1
shell 5.00 5.50 5808 26 0 0 0 0 0 3 7 12 . 4 0.4 2.2
shell 5.50 6.00 6751 4 0 0 0 0 0 0 3 1 . 0 0.1 1.6
shell 6.00 6.50 7218 1 0 0 0 0 0 0 0 0 . 1 0.0 1.2
shell 6.50 7.00 7667 0 0 0 0 0 0 0 0 0 . 0 0.0 1.0
shell 7.00 7.50 8426 0 0 0 0 0 0 0 0 0 . 0 0.0 0.8
shell 7.50 8.00 9727 0 0 0 0 0 0 0 0 0 . 0 0.0 0.7
shell 8.00 8.50 10308 0 0 0 0 0 0 0 0 0 . 0 0.0 0.6
shell 8.50 9.00 11231 0 0 0 0 0 0 0 0 0 . 0 0.0 0.5
sums . . 78247 376 0 2 55 74 101 72 43 18 . 11 . .
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 4 0 0.0 -0.9 .
1 2 THR 4 0 13 0 0.0 -0.9 .
1 3 VAL 5 0 25 0 0.0 -0.9 .
1 4 LYS 7 0 24 0 0.0 -0.9 .
1 5 GLN 7 0 25 0 0.0 -0.9 .
1 6 THR 4 0 10 0 0.0 -0.9 .
1 7 VAL 5 0 31 0 0.0 -0.9 .
1 8 GLU 5 0 11 0 0.0 -0.9 .
1 9 ILE 6 0 43 0 0.0 -0.9 .
1 10 THR 4 0 7 0 0.0 -0.9 .
1 11 ASN 6 0 16 0 0.0 -0.9 .
1 12 LYS 7 0 14 0 0.0 -0.9 .
1 13 LEU 7 0 28 0 0.0 -0.9 .
1 14 GLY 3 0 20 0 0.0 -0.9 .
1 15 MET 6 0 18 0 0.0 -0.9 .
1 16 HIS 6 0 10 0 0.0 -0.9 .
1 17 ALA 3 0 12 0 0.0 -0.9 .
1 18 ARG 7 0 19 0 0.0 -0.9 .
1 19 PRO 5 0 42 0 0.0 -0.9 .
1 20 ALA 3 0 24 0 0.0 -0.9 .
1 21 MET 6 0 19 0 0.0 -0.9 .
1 22 LYS 7 0 23 0 0.0 -0.9 .
1 23 LEU 7 0 43 0 0.0 -0.9 .
1 24 PHE 7 0 16 0 0.0 -0.9 .
1 25 GLU 5 0 15 0 0.0 -0.9 .
1 26 LEU 7 0 38 0 0.0 -0.9 .
1 27 MET 6 0 23 0 0.0 -0.9 .
1 28 GLN 7 0 15 0 0.0 -0.9 .
1 29 GLY 3 0 9 0 0.0 -0.9 .
1 30 PHE 7 0 39 0 0.0 -0.9 .
1 31 ASP 4 0 17 0 0.0 -0.9 .
1 32 ALA 3 0 22 0 0.0 -0.9 .
1 33 GLU 5 0 16 0 0.0 -0.9 .
1 34 VAL 5 0 35 0 0.0 -0.9 .
1 35 LEU 7 0 26 0 0.0 -0.9 .
1 36 LEU 7 0 45 0 0.0 -0.9 .
1 37 ARG 7 0 25 0 0.0 -0.9 .
1 38 ASN 6 0 30 0 0.0 -0.9 .
1 39 ASP 4 0 16 0 0.0 -0.9 .
1 40 GLU 5 0 17 0 0.0 -0.9 .
1 41 GLY 3 0 10 0 0.0 -0.9 .
1 42 THR 4 0 17 0 0.0 -0.9 .
1 43 GLU 5 0 12 0 0.0 -0.9 .
1 44 ALA 3 0 26 0 0.0 -0.9 .
1 45 GLU 5 0 28 0 0.0 -0.9 .
1 46 ALA 3 0 29 0 0.0 -0.9 .
1 47 ASN 6 0 12 0 0.0 -0.9 .
1 48 SER 4 0 18 0 0.0 -0.9 .
1 49 VAL 5 0 26 0 0.0 -0.9 .
1 50 ILE 6 0 27 0 0.0 -0.9 .
1 51 ALA 3 0 27 0 0.0 -0.9 .
1 52 LEU 7 0 24 0 0.0 -0.9 .
1 53 LEU 7 0 30 0 0.0 -0.9 .
1 54 MET 6 0 22 0 0.0 -0.9 .
1 55 LEU 7 0 41 0 0.0 -0.9 .
1 56 ASP 4 0 17 0 0.0 -0.9 .
1 57 SER 4 0 12 0 0.0 -0.9 .
1 58 ALA 3 0 31 0 0.0 -0.9 .
1 59 LYS 7 0 16 0 0.0 -0.9 .
1 60 GLY 3 0 11 0 0.0 -0.9 .
1 61 ARG 7 0 23 0 0.0 -0.9 .
1 62 GLN 7 0 20 0 0.0 -0.9 .
1 63 ILE 6 0 45 0 0.0 -0.9 .
1 64 GLU 5 0 22 0 0.0 -0.9 .
1 65 VAL 5 0 43 0 0.0 -0.9 .
1 66 GLU 5 0 25 0 0.0 -0.9 .
1 67 ALA 3 0 33 0 0.0 -0.9 .
1 68 THR 4 0 22 0 0.0 -0.9 .
1 69 GLY 3 0 17 0 0.0 -0.9 .
1 70 PRO 5 0 16 0 0.0 -0.9 .
1 71 GLN 7 0 40 0 0.0 -0.9 .
1 72 GLU 5 0 39 0 0.0 -0.9 .
1 73 GLU 5 0 20 0 0.0 -0.9 .
1 74 GLU 5 0 21 0 0.0 -0.9 .
1 75 ALA 3 0 29 0 0.0 -0.9 .
1 76 LEU 7 0 53 0 0.0 -0.9 .
1 77 ALA 3 0 24 0 0.0 -0.9 .
1 78 ALA 3 0 22 0 0.0 -0.9 .
1 79 VAL 5 0 37 0 0.0 -0.9 .
1 80 ILE 6 0 40 0 0.0 -0.9 .
1 81 ALA 3 0 19 0 0.0 -0.9 .
1 82 LEU 7 0 30 0 0.0 -0.9 .
1 83 PHE 7 0 33 0 0.0 -0.9 .
1 84 ASN 6 0 11 0 0.0 -0.9 .
1 85 SER 4 0 8 0 0.0 -0.9 .
2 2 ARG 7 0 8 0 0.0 -0.9 .
2 3 ILE 6 4 16 1 6.3 0.1 .
2 4 ARG 7 2 8 0 0.0 -0.9 .
2 5 ALA 3 4 21 0 0.0 -0.9 .
2 6 LEU 7 5 13 1 7.7 0.4 .
2 7 PRO 5 0 26 0 0.0 -0.9 .
2 8 ALA 3 5 20 2 10.0 0.8 .
2 9 ALA 3 1 23 1 4.3 -0.2 .
2 10 PRO 5 0 14 0 0.0 -0.9 .
2 11 GLY 3 0 16 0 0.0 -0.9 .
2 12 VAL 5 2 14 0 0.0 -0.9 .
2 13 ALA 3 3 24 1 4.2 -0.2 .
2 14 ILE 6 2 19 0 0.0 -0.9 .
2 15 ALA 3 4 28 1 3.6 -0.3 .
2 16 GLU 5 4 17 0 0.0 -0.9 .
2 17 GLY 3 6 17 1 5.9 0.1 .
2 18 TRP 10 3 17 2 11.8 1.1 >sigma
2 19 GLN 7 0 9 0 0.0 -0.9 .
2 20 ASP 4 1 13 0 0.0 -0.9 .
2 21 ALA 3 1 5 1 20.0 2.4 >sigma
2 22 THR 4 2 9 1 11.1 0.9 .
2 23 LEU 7 1 9 0 0.0 -0.9 .
2 24 PRO 5 0 12 0 0.0 -0.9 .
2 25 LEU 7 2 10 1 10.0 0.8 .
2 26 MET 6 2 19 2 10.5 0.8 .
2 27 GLU 5 3 13 2 15.4 1.7 >sigma
2 28 GLN 7 3 14 2 14.3 1.5 >sigma
2 29 VAL 5 2 18 1 5.6 0.0 .
2 30 TYR 6 1 8 0 0.0 -0.9 .
2 31 GLN 7 0 9 0 0.0 -0.9 .
2 32 ALA 3 0 9 0 0.0 -0.9 .
2 33 SER 4 1 5 1 20.0 2.4 >sigma
2 34 THR 4 3 7 2 28.6 3.8 >sigma
2 35 LEU 7 1 18 1 5.6 0.0 .
2 36 ASP 4 0 21 0 0.0 -0.9 .
2 37 PRO 5 0 20 0 0.0 -0.9 .
2 38 ALA 3 3 15 2 13.3 1.3 >sigma
2 39 LEU 7 2 21 1 4.8 -0.1 .
2 40 GLU 5 4 38 2 5.3 -0.0 .
2 41 ARG 7 5 22 2 9.1 0.6 .
2 42 GLU 5 4 17 2 11.8 1.1 >sigma
2 43 ARG 7 3 34 1 2.9 -0.4 .
2 44 LEU 7 3 38 1 2.6 -0.5 .
2 45 THR 4 4 20 2 10.0 0.8 .
2 46 GLY 3 4 13 2 15.4 1.7 >sigma
2 47 ALA 3 4 27 2 7.4 0.3 .
2 48 LEU 7 6 37 2 5.4 -0.0 .
2 49 GLU 5 4 20 2 10.0 0.8 .
2 50 GLU 5 4 17 2 11.8 1.1 >sigma
2 51 ALA 3 5 30 3 10.0 0.8 .
2 52 ALA 3 3 31 3 9.7 0.7 .
2 53 ASN 6 4 24 3 12.5 1.2 >sigma
2 54 GLU 5 3 22 3 13.6 1.4 >sigma
2 55 PHE 7 2 32 2 6.3 0.1 .
2 56 ARG 7 2 20 2 10.0 0.8 .
2 57 ARG 7 2 17 2 11.8 1.1 >sigma
2 58 TYR 6 2 33 2 6.1 0.1 .
2 59 SER 4 3 28 2 7.1 0.3 .
2 60 LYS 7 3 14 2 14.3 1.5 >sigma
2 61 ARG 7 4 16 2 12.5 1.2 >sigma
2 62 PHE 7 4 30 2 6.7 0.2 .
2 63 ALA 3 3 18 2 11.1 0.9 .
2 64 ALA 3 3 11 2 18.2 2.1 >sigma
2 65 GLY 3 1 10 1 10.0 0.8 .
2 66 ALA 3 0 19 0 0.0 -0.9 .
2 67 GLN 7 1 25 0 0.0 -0.9 .
2 68 LYS 7 0 14 0 0.0 -0.9 .
2 69 GLU 5 0 25 0 0.0 -0.9 .
2 70 THR 4 1 27 1 3.7 -0.3 .
2 71 ALA 3 4 24 2 8.3 0.5 .
2 72 ALA 3 2 19 2 10.5 0.8 .
2 73 ILE 6 4 26 2 7.7 0.4 .
2 74 PHE 7 2 32 2 6.3 0.1 .
2 75 ASP 4 4 16 2 12.5 1.2 >sigma
2 76 LEU 7 2 23 2 8.7 0.5 .
2 77 TYR 6 3 32 1 3.1 -0.4 .
2 78 SER 4 2 17 2 11.8 1.1 >sigma
2 79 HIS 6 4 13 2 15.4 1.7 >sigma
2 80 LEU 7 4 36 4 11.1 0.9 .
2 81 LEU 7 3 43 2 4.7 -0.1 .
2 82 SER 4 2 14 2 14.3 1.5 >sigma
2 83 ASP 4 0 16 0 0.0 -0.9 .
2 84 THR 4 0 10 0 0.0 -0.9 .
2 85 ARG 7 2 17 1 5.9 0.1 .
2 86 LEU 7 0 26 0 0.0 -0.9 .
2 87 ARG 7 3 23 2 8.7 0.5 .
2 88 ARG 7 5 22 2 9.1 0.6 .
2 89 GLU 5 3 23 2 8.7 0.5 .
2 90 LEU 7 5 51 3 5.9 0.1 .
2 91 PHE 7 5 26 2 7.7 0.4 .
2 92 ALA 3 5 20 3 15.0 1.6 >sigma
2 93 GLU 5 5 32 2 6.3 0.1 .
2 94 VAL 5 4 44 2 4.5 -0.1 .
2 95 ASP 4 5 13 2 15.4 1.7 >sigma
2 96 LYS 7 3 19 3 15.8 1.7 >sigma
2 97 GLY 3 3 18 2 11.1 0.9 .
2 98 SER 4 2 16 2 12.5 1.2 >sigma
2 99 VAL 5 3 31 1 3.2 -0.4 .
2 100 ALA 3 2 35 1 2.9 -0.4 .
2 101 GLU 5 3 21 2 9.5 0.7 .
2 102 TRP 10 7 21 2 9.5 0.7 .
2 103 ALA 3 6 35 3 8.6 0.5 .
2 104 VAL 5 4 44 2 4.5 -0.1 .
2 105 LYS 7 6 37 2 5.4 -0.0 .
2 106 THR 4 5 22 2 9.1 0.6 .
2 107 VAL 5 5 46 2 4.3 -0.2 .
2 108 ILE 6 5 33 2 6.1 0.1 .
2 109 GLU 5 4 19 2 10.5 0.8 .
2 110 LYS 7 6 29 3 10.3 0.8 .
2 111 PHE 7 3 34 2 5.9 0.1 .
2 112 ALA 3 6 22 3 13.6 1.4 >sigma
2 113 GLU 5 5 12 2 16.7 1.9 >sigma
2 114 GLN 7 6 19 2 10.5 0.8 .
2 115 PHE 7 6 31 2 6.5 0.2 .
2 116 ALA 3 5 22 2 9.1 0.6 .
2 117 ALA 3 4 13 2 15.4 1.7 >sigma
2 118 LEU 7 3 22 1 4.5 -0.1 .
2 119 SER 4 1 11 1 9.1 0.6 .
2 120 ASP 4 1 16 1 6.3 0.1 .
2 121 ASN 6 0 13 0 0.0 -0.9 .
2 122 TYR 6 3 10 1 10.0 0.8 .
2 123 LEU 7 3 32 3 9.4 0.7 .
2 124 LYS 7 4 30 2 6.7 0.2 .
2 125 GLU 5 5 15 3 20.0 2.4 >sigma
2 126 ARG 7 2 20 1 5.0 -0.1 .
2 127 ALA 3 2 25 1 4.0 -0.2 .
2 128 GLY 3 2 11 2 18.2 2.1 >sigma
2 129 ASP 4 4 17 2 11.8 1.1 >sigma
2 130 LEU 7 3 36 2 5.6 0.0 .
2 131 ARG 7 5 17 2 11.8 1.1 >sigma
2 132 ALA 3 5 16 2 12.5 1.2 >sigma
2 133 LEU 7 4 27 2 7.4 0.3 .
2 134 GLY 3 5 23 2 8.7 0.5 .
2 135 GLN 7 3 20 2 10.0 0.8 .
2 136 ARG 7 3 39 2 5.1 -0.0 .
2 137 LEU 7 4 34 2 5.9 0.1 .
2 138 LEU 7 1 22 1 4.5 -0.1 .
2 139 PHE 7 3 15 2 13.3 1.3 >sigma
2 140 HIS 6 4 22 2 9.1 0.6 .
2 141 LEU 7 3 40 3 7.5 0.3 .
2 142 ASP 4 4 14 1 7.1 0.3 .
2 143 ASP 4 3 7 1 14.3 1.5 >sigma
2 144 ALA 3 3 12 2 16.7 1.9 >sigma
2 145 ASN 6 3 9 1 11.1 0.9 .
2 146 GLN 7 2 9 1 11.1 0.9 .
2 147 GLY 3 1 8 1 12.5 1.2 >sigma
2 148 PRO 5 0 8 0 0.0 -0.9 .
2 149 ASN 6 0 9 0 0.0 -0.9 .
2 150 ALA 3 0 7 0 0.0 -0.9 .
2 151 TRP 10 0 8 0 0.0 -0.9 .
2 152 PRO 5 0 12 0 0.0 -0.9 .
2 153 GLU 5 1 9 1 11.1 0.9 .
2 154 ARG 7 2 23 1 4.3 -0.2 .
2 155 PHE 7 3 27 1 3.7 -0.3 .
2 156 ILE 6 5 45 1 2.2 -0.5 .
2 157 LEU 7 6 41 0 0.0 -0.9 .
2 158 VAL 5 4 39 1 2.6 -0.5 .
2 159 ALA 3 4 17 1 5.9 0.1 .
2 160 ASP 4 3 13 1 7.7 0.4 .
2 161 GLU 5 4 13 1 7.7 0.4 .
2 162 LEU 7 3 38 0 0.0 -0.9 .
2 163 SER 4 2 13 0 0.0 -0.9 .
2 164 ALA 3 1 27 1 3.7 -0.3 .
2 165 THR 4 3 17 2 11.8 1.1 >sigma
2 166 THR 4 3 20 2 10.0 0.8 .
2 167 LEU 7 5 25 2 8.0 0.4 .
2 168 ALA 3 3 18 2 11.1 0.9 .
2 169 GLU 5 3 22 2 9.1 0.6 .
2 170 LEU 7 3 20 1 5.0 -0.1 .
2 171 PRO 5 0 19 0 0.0 -0.9 .
2 172 GLN 7 3 15 1 6.7 0.2 .
2 173 ASP 4 3 13 3 23.1 2.9 >sigma
2 174 ARG 7 3 16 2 12.5 1.2 >sigma
2 175 LEU 7 4 38 2 5.3 -0.0 .
2 176 VAL 5 5 20 2 10.0 0.8 .
2 177 GLY 3 4 23 1 4.3 -0.2 .
2 178 VAL 5 4 46 0 0.0 -0.9 .
2 179 VAL 5 6 41 1 2.4 -0.5 .
2 180 VAL 5 5 40 1 2.5 -0.5 .
2 181 ARG 7 3 36 1 2.8 -0.4 .
2 182 ASP 4 4 13 2 15.4 1.7 >sigma
2 183 GLY 3 2 13 2 15.4 1.7 >sigma
2 184 ALA 3 2 8 1 12.5 1.2 >sigma
2 185 ALA 3 0 13 0 0.0 -0.9 .
2 186 ASN 6 0 10 0 0.0 -0.9 .
2 187 SER 4 0 17 0 0.0 -0.9 .
2 188 GLN 7 1 22 1 4.5 -0.1 .
2 189 ALA 3 3 37 2 5.4 -0.0 .
2 190 ALA 3 1 30 1 3.3 -0.3 .
2 191 ILE 6 2 25 0 0.0 -0.9 .
2 192 MET 6 2 30 1 3.3 -0.3 .
2 193 VAL 5 4 37 2 5.4 -0.0 .
2 194 ARG 7 5 35 3 8.6 0.5 .
2 195 ALA 3 3 16 1 6.3 0.1 .
2 196 LEU 7 3 27 2 7.4 0.3 .
2 197 GLY 3 4 8 2 25.0 3.3 >sigma
2 198 ILE 6 2 29 1 3.4 -0.3 .
2 199 PRO 5 0 27 0 0.0 -0.9 .
2 200 THR 4 4 34 0 0.0 -0.9 .
2 201 VAL 5 6 40 1 2.5 -0.5 .
2 202 MET 6 5 37 2 5.4 -0.0 .
2 203 GLY 3 5 14 1 7.1 0.3 .
2 204 ALA 3 5 24 1 4.2 -0.2 .
2 205 ASP 4 2 11 1 9.1 0.6 .
2 206 ILE 6 3 21 1 4.8 -0.1 .
2 207 GLN 7 3 22 0 0.0 -0.9 .
2 208 PRO 5 0 27 0 0.0 -0.9 .
2 209 SER 4 4 13 1 7.7 0.4 .
2 210 VAL 5 4 17 2 11.8 1.1 >sigma
2 211 LEU 7 4 40 2 5.0 -0.1 .
2 212 HIS 6 5 10 2 20.0 2.4 >sigma
2 213 ARG 7 3 11 2 18.2 2.1 >sigma
2 214 ARG 7 5 17 2 11.8 1.1 >sigma
2 215 THR 4 4 18 0 0.0 -0.9 .
2 216 LEU 7 6 34 1 2.9 -0.4 .
2 217 ILE 6 5 33 1 3.0 -0.4 .
2 218 VAL 5 5 30 1 3.3 -0.3 .
2 219 ASP 4 7 23 2 8.7 0.5 .
2 220 GLY 3 7 19 2 10.5 0.8 .
2 221 TYR 6 5 18 3 16.7 1.9 >sigma
2 222 ARG 7 2 15 1 6.7 0.2 .
2 223 GLY 3 3 24 1 4.2 -0.2 .
2 224 GLU 5 5 19 1 5.3 -0.0 .
2 225 LEU 7 4 35 1 2.9 -0.4 .
2 226 LEU 7 6 35 1 2.9 -0.4 .
2 227 VAL 5 3 13 0 0.0 -0.9 .
2 228 ASP 4 4 12 0 0.0 -0.9 .
2 229 PRO 5 0 25 0 0.0 -0.9 .
2 230 GLU 5 1 17 0 0.0 -0.9 .
2 231 PRO 5 0 12 0 0.0 -0.9 .
2 232 VAL 5 3 18 1 5.6 0.0 .
2 233 LEU 7 5 18 3 16.7 1.9 >sigma
2 234 LEU 7 5 22 2 9.1 0.6 .
2 235 GLN 7 5 16 3 18.8 2.2 >sigma
2 236 GLU 5 5 19 2 10.5 0.8 .
2 237 TYR 6 5 21 2 9.5 0.7 .
2 238 GLN 7 6 14 2 14.3 1.5 >sigma
2 239 ARG 7 3 17 2 11.8 1.1 >sigma
2 240 LEU 7 6 18 3 16.7 1.9 >sigma
2 241 ILE 6 4 18 3 16.7 1.9 >sigma
2 242 SER 4 3 13 3 23.1 2.9 >sigma
2 243 GLU 5 5 12 3 25.0 3.3 >sigma
2 244 GLU 5 1 10 1 10.0 0.8 .
2 245 ILE 6 2 10 1 10.0 0.8 .
2 246 GLU 5 2 10 2 20.0 2.4 >sigma
2 247 LEU 7 1 10 1 10.0 0.8 .
2 248 SER 4 0 9 0 0.0 -0.9 .
2 249 ARG 7 0 9 0 0.0 -0.9 .
2 250 LEU 7 0 11 0 0.0 -0.9 .
2 251 ALA 3 0 9 0 0.0 -0.9 .
2 252 GLU 5 0 8 0 0.0 -0.9 .
2 253 ASP 4 0 8 0 0.0 -0.9 .
2 254 ASP 4 0 7 0 0.0 -0.9 .
2 255 VAL 5 0 9 0 0.0 -0.9 .
2 256 ASN 6 0 5 0 0.0 -0.9 .
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