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 |
|
|
569928 |
2mbg   |
17608 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2mbg
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 35
_NOE_completeness_stats.Residue_count 265
_NOE_completeness_stats.Total_atom_count 4406
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1543
_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 25.6
_NOE_completeness_stats.Constraint_unexpanded_count 3717
_NOE_completeness_stats.Constraint_count 5139
_NOE_completeness_stats.Constraint_exp_unfiltered_count 4625
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 388
_NOE_completeness_stats.Constraint_intraresidue_count 1402
_NOE_completeness_stats.Constraint_surplus_count 510
_NOE_completeness_stats.Constraint_observed_count 2839
_NOE_completeness_stats.Constraint_expected_count 4322
_NOE_completeness_stats.Constraint_matched_count 1108
_NOE_completeness_stats.Constraint_unmatched_count 1731
_NOE_completeness_stats.Constraint_exp_nonobs_count 3214
_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 1166 1390 703 50.6 0.9 .
medium-range 1153 1268 317 25.0 -0.1 .
long-range 520 1664 88 5.3 -0.8 .
intermolecular 0 0 0 . . "no multimer"
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 50 9 1 2 1 3 1 1 0 0 . 0 18.0 18.0
shell 2.00 2.50 334 116 7 23 39 22 10 6 6 0 . 3 34.7 32.6
shell 2.50 3.00 794 293 3 24 87 74 40 27 25 6 . 7 36.9 35.5
shell 3.00 3.50 1181 259 1 4 19 30 48 49 47 25 . 36 21.9 28.7
shell 3.50 4.00 1963 431 0 1 14 28 43 68 95 60 . 122 22.0 25.6
shell 4.00 4.50 2904 421 1 5 16 17 13 36 59 39 . 235 14.5 21.2
shell 4.50 5.00 4040 330 2 3 11 12 9 20 26 32 . 215 8.2 16.5
shell 5.00 5.50 4967 269 0 0 7 6 8 18 26 12 . 192 5.4 13.1
shell 5.50 6.00 6002 202 0 2 1 8 5 15 9 12 . 150 3.4 10.5
shell 6.00 6.50 6377 146 0 0 1 3 3 3 10 7 . 119 2.3 8.7
shell 6.50 7.00 7197 103 0 0 1 3 1 6 7 6 . 79 1.4 7.2
shell 7.00 7.50 7669 69 0 1 0 1 2 5 6 1 . 53 0.9 6.1
shell 7.50 8.00 8525 64 0 0 0 1 2 4 11 5 . 41 0.8 5.2
shell 8.00 8.50 9352 33 0 0 0 0 0 5 2 3 . 23 0.4 4.5
shell 8.50 9.00 9910 31 0 0 0 1 2 1 0 1 . 26 0.3 3.9
sums . . 71265 2776 15 65 197 209 187 264 329 209 . 1,301 . .
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 1 3 0 0.0 -1.8 >sigma
1 2 MET 6 5 11 3 27.3 -0.2 .
1 3 PRO 5 8 9 5 55.6 1.4 >sigma
1 4 ASN 6 30 13 6 46.2 0.8 .
1 5 LEU 7 21 11 5 45.5 0.8 .
1 6 LYS 7 22 11 6 54.5 1.3 >sigma
1 7 PRO 5 12 16 5 31.3 -0.0 .
1 8 ILE 6 17 53 4 7.5 -1.4 >sigma
1 9 PHE 7 10 54 4 7.4 -1.4 >sigma
1 10 GLY 3 16 18 8 44.4 0.7 .
1 11 ILE 6 10 47 4 8.5 -1.3 >sigma
1 12 PRO 5 20 24 5 20.8 -0.6 .
1 13 LEU 7 14 43 4 9.3 -1.3 >sigma
1 14 ALA 3 26 17 7 41.2 0.6 .
1 15 ASP 4 24 22 8 36.4 0.3 .
1 16 ALA 3 32 33 8 24.2 -0.4 .
1 17 VAL 5 31 44 10 22.7 -0.5 .
1 18 GLU 5 28 21 11 52.4 1.2 >sigma
1 19 ARG 7 26 25 11 44.0 0.7 .
1 20 THR 4 21 27 8 29.6 -0.1 .
1 21 MET 6 24 19 5 26.3 -0.3 .
1 22 MET 6 5 33 2 6.1 -1.5 >sigma
1 23 TYR 6 4 33 4 12.1 -1.1 >sigma
1 24 ASP 4 12 15 7 46.7 0.9 .
1 25 GLY 3 12 20 9 45.0 0.8 .
1 26 ILE 6 9 37 7 18.9 -0.7 .
1 27 ARG 7 20 29 9 31.0 -0.0 .
1 28 LEU 7 13 55 3 5.5 -1.5 >sigma
1 29 PRO 5 13 43 4 9.3 -1.3 >sigma
1 30 ALA 3 13 25 7 28.0 -0.2 .
1 31 VAL 5 8 44 3 6.8 -1.4 >sigma
1 32 PHE 7 20 69 6 8.7 -1.3 >sigma
1 33 ARG 7 15 65 9 13.8 -1.0 >sigma
1 34 GLU 5 15 31 5 16.1 -0.9 .
1 35 CYS 4 21 29 8 27.6 -0.2 .
1 36 ILE 6 29 58 6 10.3 -1.2 >sigma
1 37 ASP 4 25 29 11 37.9 0.4 .
1 38 TYR 6 32 50 14 28.0 -0.2 .
1 39 VAL 5 14 45 8 17.8 -0.8 .
1 40 GLU 5 19 23 8 34.8 0.2 .
1 41 LYS 7 29 35 15 42.9 0.7 .
1 42 TYR 6 18 25 9 36.0 0.3 .
1 43 GLY 3 17 18 8 44.4 0.7 .
1 44 MET 6 27 36 9 25.0 -0.4 .
1 45 LYS 7 21 16 5 31.3 -0.0 .
1 46 CYS 4 32 18 9 50.0 1.1 >sigma
1 47 GLU 5 23 16 8 50.0 1.1 >sigma
1 48 GLY 3 13 15 7 46.7 0.9 .
1 49 ILE 6 25 45 7 15.6 -0.9 .
1 50 TYR 6 12 45 5 11.1 -1.2 >sigma
1 51 ARG 7 20 30 8 26.7 -0.3 .
1 52 VAL 5 14 23 8 34.8 0.2 .
1 53 SER 4 8 9 6 66.7 2.0 >sigma
1 54 GLY 3 9 13 7 53.8 1.3 >sigma
1 55 ILE 6 11 28 4 14.3 -1.0 .
1 56 LYS 7 9 12 5 41.7 0.6 .
1 57 SER 4 15 16 9 56.3 1.4 >sigma
1 58 LYS 7 26 48 6 12.5 -1.1 >sigma
1 59 VAL 5 20 49 7 14.3 -1.0 .
1 60 ASP 4 19 18 9 50.0 1.1 >sigma
1 61 GLU 5 32 19 10 52.6 1.2 >sigma
1 62 LEU 7 17 61 8 13.1 -1.1 >sigma
1 63 LYS 7 24 38 9 23.7 -0.4 .
1 64 ALA 3 20 17 7 41.2 0.6 .
1 65 ALA 3 23 21 5 23.8 -0.4 .
1 66 TYR 6 13 50 6 12.0 -1.1 >sigma
1 67 ASP 4 29 22 10 45.5 0.8 .
1 68 ARG 7 16 13 5 38.5 0.4 .
1 69 GLU 5 11 7 5 71.4 2.3 >sigma
1 70 GLU 5 18 12 6 50.0 1.1 >sigma
1 71 SER 4 17 7 5 71.4 2.3 >sigma
1 72 THR 4 22 19 4 21.1 -0.6 .
1 73 ASN 6 36 21 11 52.4 1.2 >sigma
1 74 LEU 7 23 37 6 16.2 -0.9 .
1 75 GLU 5 30 26 14 53.8 1.3 >sigma
1 76 ASP 4 24 14 8 57.1 1.5 >sigma
1 77 TYR 6 15 45 5 11.1 -1.2 >sigma
1 78 GLU 5 10 24 3 12.5 -1.1 >sigma
1 79 PRO 5 9 34 5 14.7 -1.0 .
1 80 ASN 6 33 38 10 26.3 -0.3 .
1 81 THR 4 12 43 8 18.6 -0.7 .
1 82 VAL 5 17 50 10 20.0 -0.7 .
1 83 ALA 3 17 27 9 33.3 0.1 .
1 84 SER 4 22 23 8 34.8 0.2 .
1 85 LEU 7 19 64 7 10.9 -1.2 >sigma
1 86 LEU 7 18 47 10 21.3 -0.6 .
1 87 LYS 7 26 30 8 26.7 -0.3 .
1 88 GLN 7 33 32 12 37.5 0.3 .
1 89 TYR 6 18 56 10 17.9 -0.8 .
1 90 LEU 7 19 42 7 16.7 -0.8 .
1 91 ARG 7 51 30 17 56.7 1.4 >sigma
1 92 ASP 4 29 23 10 43.5 0.7 .
1 93 LEU 7 23 43 9 20.9 -0.6 .
1 94 PRO 5 12 21 8 38.1 0.4 .
1 95 GLU 5 28 19 9 47.4 0.9 .
1 96 ASN 6 37 30 16 53.3 1.3 >sigma
1 97 LEU 7 20 58 12 20.7 -0.6 .
1 98 LEU 7 32 76 11 14.5 -1.0 .
1 99 THR 4 33 36 13 36.1 0.3 .
1 100 LYS 7 29 23 10 43.5 0.7 .
1 101 GLU 5 23 24 11 45.8 0.8 .
1 102 LEU 7 34 69 10 14.5 -1.0 .
1 103 MET 6 40 51 10 19.6 -0.7 .
1 104 PRO 5 19 21 10 47.6 0.9 .
1 105 ARG 7 17 33 8 24.2 -0.4 .
1 106 PHE 7 21 73 7 9.6 -1.3 >sigma
1 107 GLU 5 19 15 8 53.3 1.3 >sigma
1 108 GLU 5 20 20 11 55.0 1.4 >sigma
1 109 ALA 3 25 36 11 30.6 -0.1 .
1 110 CYS 4 22 28 8 28.6 -0.2 .
1 111 GLY 3 23 9 9 100.0 3.9 >sigma
1 112 ARG 7 48 49 19 38.8 0.4 .
1 113 THR 4 14 11 8 72.7 2.4 >sigma
1 114 THR 4 25 28 13 46.4 0.9 .
1 115 GLU 5 15 19 7 36.8 0.3 .
1 116 THR 4 32 26 12 46.2 0.8 .
1 117 GLU 5 33 37 15 40.5 0.5 .
1 118 LYS 7 41 58 18 31.0 -0.0 .
1 119 VAL 5 29 48 10 20.8 -0.6 .
1 120 GLN 7 32 26 8 30.8 -0.0 .
1 121 GLU 5 34 34 14 41.2 0.6 .
1 122 PHE 7 21 60 8 13.3 -1.0 >sigma
1 123 GLN 7 39 40 13 32.5 0.1 .
1 124 ARG 7 34 31 14 45.2 0.8 .
1 125 LEU 7 29 73 8 11.0 -1.2 >sigma
1 126 LEU 7 27 59 8 13.6 -1.0 >sigma
1 127 LYS 7 41 22 13 59.1 1.6 >sigma
1 128 GLU 5 23 30 11 36.7 0.3 .
1 129 LEU 7 32 60 9 15.0 -0.9 .
1 130 PRO 5 15 23 8 34.8 0.2 .
1 131 GLU 5 23 16 10 62.5 1.8 >sigma
1 132 CYS 4 26 28 11 39.3 0.5 .
1 133 ASN 6 26 44 11 25.0 -0.4 .
1 134 TYR 6 23 36 9 25.0 -0.4 .
1 135 LEU 7 24 34 7 20.6 -0.6 .
1 136 LEU 7 19 60 8 13.3 -1.0 >sigma
1 137 ILE 6 31 63 13 20.6 -0.6 .
1 138 SER 4 25 30 9 30.0 -0.1 .
1 139 TRP 10 53 66 16 24.2 -0.4 .
1 140 LEU 7 16 63 6 9.5 -1.3 >sigma
1 141 ILE 6 19 64 9 14.1 -1.0 .
1 142 VAL 5 17 54 9 16.7 -0.8 .
1 143 HIS 6 24 47 8 17.0 -0.8 .
1 144 MET 6 29 51 11 21.6 -0.6 .
1 145 ASP 4 17 31 11 35.5 0.2 .
1 146 HIS 6 17 18 9 50.0 1.1 >sigma
1 147 VAL 5 15 56 9 16.1 -0.9 .
1 148 ILE 6 18 62 8 12.9 -1.1 >sigma
1 149 ALA 3 10 22 8 36.4 0.3 .
1 150 LYS 7 27 41 11 26.8 -0.3 .
1 151 GLU 5 41 40 14 35.0 0.2 .
1 152 LEU 7 26 20 13 65.0 1.9 >sigma
1 153 GLU 5 33 18 11 61.1 1.7 >sigma
1 154 THR 4 22 31 8 25.8 -0.3 .
1 155 LYS 7 22 14 7 50.0 1.1 >sigma
1 156 MET 6 30 46 17 37.0 0.3 .
1 157 ASN 6 34 27 15 55.6 1.4 >sigma
1 158 ILE 6 20 52 11 21.2 -0.6 .
1 159 GLN 7 32 30 14 46.7 0.9 .
1 160 ASN 6 40 41 22 53.7 1.3 >sigma
1 161 ILE 6 17 62 9 14.5 -1.0 .
1 162 SER 4 39 39 17 43.6 0.7 .
1 163 ILE 6 24 39 16 41.0 0.6 .
1 164 VAL 5 25 38 9 23.7 -0.4 .
1 165 LEU 7 30 72 11 15.3 -0.9 .
1 166 SER 4 11 30 8 26.7 -0.3 .
1 167 PRO 5 16 19 6 31.6 0.0 .
1 168 THR 4 19 38 9 23.7 -0.4 .
1 169 VAL 5 25 43 8 18.6 -0.7 .
1 170 GLN 7 41 24 15 62.5 1.8 >sigma
1 171 ILE 6 24 54 7 13.0 -1.1 >sigma
1 172 SER 4 13 12 3 25.0 -0.4 .
1 173 ASN 6 30 33 11 33.3 0.1 .
1 174 ARG 7 21 15 9 60.0 1.6 >sigma
1 175 VAL 5 22 56 8 14.3 -1.0 .
1 176 LEU 7 28 71 11 15.5 -0.9 .
1 177 TYR 6 21 38 12 31.6 0.0 .
1 178 VAL 5 21 39 7 17.9 -0.8 .
1 179 PHE 7 26 69 8 11.6 -1.1 >sigma
1 180 PHE 7 24 68 11 16.2 -0.9 .
1 181 THR 4 10 17 7 41.2 0.6 .
1 182 HIS 6 17 27 7 25.9 -0.3 .
1 183 VAL 5 23 54 7 13.0 -1.1 >sigma
1 184 GLN 7 26 32 7 21.9 -0.5 .
1 185 GLU 5 14 22 5 22.7 -0.5 .
1 186 LEU 7 17 51 8 15.7 -0.9 .
1 187 PHE 7 20 51 12 23.5 -0.5 .
1 188 GLY 3 25 18 9 50.0 1.1 >sigma
1 189 ASN 6 13 14 8 57.1 1.5 >sigma
1 190 VAL 5 22 47 8 17.0 -0.8 .
1 191 VAL 5 20 23 3 13.0 -1.1 >sigma
1 192 LEU 7 15 40 3 7.5 -1.4 >sigma
1 193 LYS 7 29 25 11 44.0 0.7 .
1 194 GLN 7 26 25 7 28.0 -0.2 .
1 195 VAL 5 9 32 4 12.5 -1.1 >sigma
1 196 MET 6 9 29 4 13.8 -1.0 >sigma
1 197 LYS 7 12 20 6 30.0 -0.1 .
1 198 PRO 5 10 13 6 46.2 0.8 .
1 199 LEU 7 11 11 6 54.5 1.3 >sigma
1 200 ARG 7 7 7 4 57.1 1.5 >sigma
1 201 TRP 10 22 40 5 12.5 -1.1 >sigma
1 202 SER 4 0 12 0 0.0 -1.8 >sigma
1 203 ASN 6 2 14 0 0.0 -1.8 >sigma
1 204 MET 6 7 19 3 15.8 -0.9 .
1 205 ALA 3 8 15 4 26.7 -0.3 .
1 206 THR 4 10 16 6 37.5 0.3 .
1 207 MET 6 15 24 7 29.2 -0.1 .
1 208 PRO 5 11 13 4 30.8 -0.0 .
1 209 THR 4 12 18 3 16.7 -0.8 .
1 210 LEU 7 9 45 4 8.9 -1.3 >sigma
1 211 PRO 5 14 24 7 29.2 -0.1 .
1 212 GLU 5 13 15 7 46.7 0.9 .
1 213 THR 4 19 18 9 50.0 1.1 >sigma
1 214 GLN 7 43 28 12 42.9 0.7 .
1 215 ALA 3 22 19 9 47.4 0.9 .
1 216 GLY 3 25 16 6 37.5 0.3 .
1 217 ILE 6 39 66 11 16.7 -0.8 .
1 218 LYS 7 30 33 8 24.2 -0.4 .
1 219 GLU 5 19 17 6 35.3 0.2 .
1 220 GLU 5 18 20 4 20.0 -0.7 .
1 221 ILE 6 10 69 5 7.2 -1.4 >sigma
1 222 ARG 7 15 27 5 18.5 -0.7 .
1 223 ARG 7 4 35 1 2.9 -1.6 >sigma
1 224 GLN 7 11 35 3 8.6 -1.3 >sigma
1 225 GLU 5 21 34 8 23.5 -0.5 .
1 226 PHE 7 21 27 10 37.0 0.3 .
1 227 LEU 7 11 40 6 15.0 -0.9 .
1 228 LEU 7 24 51 13 25.5 -0.3 .
1 229 ASN 6 36 29 16 55.2 1.4 >sigma
1 230 CYS 4 17 19 9 47.4 0.9 .
1 231 LEU 7 19 26 9 34.6 0.2 .
1 232 HIS 6 25 26 11 42.3 0.6 .
1 233 ARG 7 18 18 11 61.1 1.7 >sigma
1 234 ASP 4 31 17 9 52.9 1.2 >sigma
1 235 LEU 7 33 41 10 24.4 -0.4 .
1 236 GLN 7 29 19 9 47.4 0.9 .
1 237 GLY 3 15 14 7 50.0 1.1 >sigma
1 238 GLY 3 21 8 8 100.0 3.9 >sigma
1 239 ILE 6 29 32 9 28.1 -0.2 .
1 240 LYS 7 19 7 4 57.1 1.5 >sigma
1 241 ASP 4 25 21 10 47.6 0.9 .
1 242 LEU 7 22 18 5 27.8 -0.2 .
1 243 SER 4 25 14 9 64.3 1.9 >sigma
1 244 LYS 7 34 32 11 34.4 0.2 .
1 245 GLU 5 44 31 15 48.4 1.0 .
1 246 GLU 5 35 27 10 37.0 0.3 .
1 247 ARG 7 20 15 5 33.3 0.1 .
1 248 LEU 7 35 46 14 30.4 -0.1 .
1 249 TRP 10 52 32 19 59.4 1.6 >sigma
1 250 GLU 5 14 19 6 31.6 0.0 .
1 251 VAL 5 8 29 5 17.2 -0.8 .
1 252 GLN 7 34 41 19 46.3 0.9 .
1 253 ARG 7 10 18 5 27.8 -0.2 .
1 254 ILE 6 14 40 7 17.5 -0.8 .
1 255 LEU 7 15 60 7 11.7 -1.1 >sigma
1 256 THR 4 13 22 10 45.5 0.8 .
1 257 ALA 3 15 29 8 27.6 -0.2 .
1 258 LEU 7 19 65 5 7.7 -1.4 >sigma
1 259 LYS 7 17 48 9 18.8 -0.7 .
1 260 ARG 7 7 20 4 20.0 -0.7 .
1 261 LYS 7 18 58 3 5.2 -1.5 >sigma
1 262 LEU 7 19 57 8 14.0 -1.0 >sigma
1 263 ARG 7 24 14 7 50.0 1.1 >sigma
1 264 GLU 5 16 21 7 33.3 0.1 .
1 265 ALA 3 16 19 5 26.3 -0.3 .
stop_
save_
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