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 |
|
|
577789 |
2mlh   |
19343 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2mlh
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 238
_NOE_completeness_stats.Total_atom_count 3775
_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 3.3
_NOE_completeness_stats.Constraint_unexpanded_count 249
_NOE_completeness_stats.Constraint_count 249
_NOE_completeness_stats.Constraint_exp_unfiltered_count 1234
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 116
_NOE_completeness_stats.Constraint_intraresidue_count 1
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 132
_NOE_completeness_stats.Constraint_expected_count 1234
_NOE_completeness_stats.Constraint_matched_count 41
_NOE_completeness_stats.Constraint_unmatched_count 91
_NOE_completeness_stats.Constraint_exp_nonobs_count 1193
_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 73 940 13 1.4 -1.0 .
medium-range 17 27 2 7.4 0.3 .
long-range 42 267 26 9.7 0.7 .
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 1 1 0 0 0 0 0 0 1 0 . 0 100.0 100.0
shell 2.00 2.50 97 2 0 0 0 0 0 0 2 0 . 0 2.1 3.1
shell 2.50 3.00 216 4 0 0 0 2 0 0 2 0 . 0 1.9 2.2
shell 3.00 3.50 298 25 0 0 0 16 0 0 4 0 . 5 8.4 5.2
shell 3.50 4.00 622 9 0 0 0 2 0 0 3 0 . 4 1.4 3.3
shell 4.00 4.50 817 59 0 0 0 0 0 0 48 0 . 11 7.2 4.9
shell 4.50 5.00 1522 5 0 0 0 0 0 0 1 0 . 4 0.3 2.9
shell 5.00 5.50 2374 10 0 0 0 0 0 0 2 0 . 8 0.4 1.9
shell 5.50 6.00 2485 7 0 0 0 0 0 0 0 0 . 7 0.3 1.4
shell 6.00 6.50 2833 7 0 0 0 0 0 0 0 0 . 7 0.2 1.1
shell 6.50 7.00 3068 3 0 0 0 0 0 0 0 0 . 3 0.1 0.9
shell 7.00 7.50 3395 0 0 0 0 0 0 0 0 0 . 0 0.0 0.7
shell 7.50 8.00 3587 0 0 0 0 0 0 0 0 0 . 0 0.0 0.6
shell 8.00 8.50 3737 0 0 0 0 0 0 0 0 0 . 0 0.0 0.5
shell 8.50 9.00 3907 0 0 0 0 0 0 0 0 0 . 0 0.0 0.5
sums . . 28959 132 0 0 0 20 0 0 63 0 . 49 . .
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 ALA 3 0 2 0 0.0 -0.6 .
1 2 SER 4 0 6 0 0.0 -0.6 .
1 3 GLU 5 0 9 0 0.0 -0.6 .
1 4 ASP 4 0 9 0 0.0 -0.6 .
1 5 GLY 3 0 7 0 0.0 -0.6 .
1 6 GLY 3 1 6 1 16.7 3.1 >sigma
1 7 ARG 7 2 7 1 14.3 2.6 >sigma
1 8 GLY 3 3 9 1 11.1 1.9 >sigma
1 9 PRO 5 0 10 0 0.0 -0.6 .
1 10 TYR 6 5 21 2 9.5 1.6 >sigma
1 11 VAL 5 4 26 3 11.5 2.0 >sigma
1 12 GLN 7 3 22 1 4.5 0.5 .
1 13 ALA 3 3 15 1 6.7 0.9 .
1 14 ASP 4 1 8 0 0.0 -0.6 .
1 15 LEU 7 0 10 0 0.0 -0.6 .
1 16 ALA 3 0 10 0 0.0 -0.6 .
1 17 TYR 6 0 8 0 0.0 -0.6 .
1 18 ALA 3 0 7 0 0.0 -0.6 .
1 19 TYR 6 0 6 0 0.0 -0.6 .
1 20 GLU 5 0 9 0 0.0 -0.6 .
1 21 HIS 6 0 9 0 0.0 -0.6 .
1 22 ILE 6 0 8 0 0.0 -0.6 .
1 23 THR 4 0 8 0 0.0 -0.6 .
1 24 HIS 6 0 8 0 0.0 -0.6 .
1 25 ASP 4 0 8 0 0.0 -0.6 .
1 26 TYR 6 0 9 0 0.0 -0.6 .
1 27 PRO 5 0 9 0 0.0 -0.6 .
1 28 GLU 5 0 9 0 0.0 -0.6 .
1 29 PRO 5 0 10 0 0.0 -0.6 .
1 30 THR 4 0 9 0 0.0 -0.6 .
1 31 ALA 3 0 7 0 0.0 -0.6 .
1 32 PRO 5 0 6 0 0.0 -0.6 .
1 33 ASN 6 0 6 0 0.0 -0.6 .
1 34 LYS 7 0 8 0 0.0 -0.6 .
1 35 ASN 6 0 9 0 0.0 -0.6 .
1 36 LYS 7 0 9 0 0.0 -0.6 .
1 37 ILE 6 0 10 0 0.0 -0.6 .
1 38 SER 4 0 9 0 0.0 -0.6 .
1 39 THR 4 0 8 0 0.0 -0.6 .
1 40 VAL 5 0 9 0 0.0 -0.6 .
1 41 SER 4 0 9 0 0.0 -0.6 .
1 42 ASP 4 0 8 0 0.0 -0.6 .
1 43 TYR 6 0 9 0 0.0 -0.6 .
1 44 PHE 7 0 10 0 0.0 -0.6 .
1 45 ARG 7 0 10 0 0.0 -0.6 .
1 46 ASN 6 0 9 0 0.0 -0.6 .
1 47 ILE 6 0 9 0 0.0 -0.6 .
1 48 ARG 7 0 10 0 0.0 -0.6 .
1 49 THR 4 0 9 0 0.0 -0.6 .
1 50 ARG 7 0 9 0 0.0 -0.6 .
1 51 SER 4 0 9 0 0.0 -0.6 .
1 52 VAL 5 0 10 0 0.0 -0.6 .
1 53 HIS 6 0 9 0 0.0 -0.6 .
1 54 PRO 5 0 8 0 0.0 -0.6 .
1 55 ARG 7 0 9 0 0.0 -0.6 .
1 56 VAL 5 0 11 0 0.0 -0.6 .
1 57 SER 4 2 16 1 6.3 0.8 .
1 58 VAL 5 3 20 1 5.0 0.6 .
1 59 GLY 3 6 13 1 7.7 1.2 >sigma
1 60 TYR 6 6 16 2 12.5 2.2 >sigma
1 61 ASP 4 5 19 2 10.5 1.8 >sigma
1 62 PHE 7 7 12 0 0.0 -0.6 .
1 63 GLY 3 3 5 0 0.0 -0.6 .
1 64 GLY 3 4 6 1 16.7 3.1 >sigma
1 65 TRP 10 7 10 1 10.0 1.7 >sigma
1 66 ARG 7 4 36 1 2.8 0.1 .
1 67 ILE 6 3 13 1 7.7 1.2 >sigma
1 68 ALA 3 3 17 1 5.9 0.8 .
1 69 ALA 3 3 11 1 9.1 1.5 >sigma
1 70 ASP 4 2 10 1 10.0 1.7 >sigma
1 71 TYR 6 1 12 0 0.0 -0.6 .
1 72 ALA 3 0 10 0 0.0 -0.6 .
1 73 ARG 7 0 7 0 0.0 -0.6 .
1 74 TYR 6 0 8 0 0.0 -0.6 .
1 75 ARG 7 0 9 0 0.0 -0.6 .
1 76 LYS 7 0 10 0 0.0 -0.6 .
1 77 TRP 10 0 9 0 0.0 -0.6 .
1 78 ASN 6 0 8 0 0.0 -0.6 .
1 79 ASN 6 0 8 0 0.0 -0.6 .
1 80 ASN 6 0 8 0 0.0 -0.6 .
1 81 LYS 7 0 9 0 0.0 -0.6 .
1 82 TYR 6 0 10 0 0.0 -0.6 .
1 83 SER 4 0 9 0 0.0 -0.6 .
1 84 VAL 5 0 9 0 0.0 -0.6 .
1 85 ASN 6 0 9 0 0.0 -0.6 .
1 86 ILE 6 0 9 0 0.0 -0.6 .
1 87 GLU 5 0 10 0 0.0 -0.6 .
1 88 ASN 6 0 9 0 0.0 -0.6 .
1 89 VAL 5 0 9 0 0.0 -0.6 .
1 90 ARG 7 0 10 0 0.0 -0.6 .
1 91 ILE 6 0 9 0 0.0 -0.6 .
1 92 ARG 7 0 9 0 0.0 -0.6 .
1 93 LYS 7 0 9 0 0.0 -0.6 .
1 94 GLU 5 0 8 0 0.0 -0.6 .
1 95 ASN 6 0 8 0 0.0 -0.6 .
1 96 GLY 3 0 7 0 0.0 -0.6 .
1 97 ILE 6 0 8 0 0.0 -0.6 .
1 98 ARG 7 0 10 0 0.0 -0.6 .
1 99 ILE 6 0 10 0 0.0 -0.6 .
1 100 ASP 4 0 9 0 0.0 -0.6 .
1 101 ARG 7 0 9 0 0.0 -0.6 .
1 102 LYS 7 0 10 0 0.0 -0.6 .
1 103 THR 4 0 9 0 0.0 -0.6 .
1 104 GLU 5 0 9 0 0.0 -0.6 .
1 105 ASN 6 0 9 0 0.0 -0.6 .
1 106 GLN 7 0 9 0 0.0 -0.6 .
1 107 GLU 5 0 10 0 0.0 -0.6 .
1 108 ASN 6 0 9 0 0.0 -0.6 .
1 109 GLY 3 0 7 0 0.0 -0.6 .
1 110 THR 4 0 6 0 0.0 -0.6 .
1 111 PHE 7 0 8 0 0.0 -0.6 .
1 112 HIS 6 0 9 0 0.0 -0.6 .
1 113 ALA 3 0 8 0 0.0 -0.6 .
1 114 VAL 5 0 8 0 0.0 -0.6 .
1 115 SER 4 0 7 0 0.0 -0.6 .
1 116 SER 4 0 6 0 0.0 -0.6 .
1 117 LEU 7 0 8 0 0.0 -0.6 .
1 118 GLY 3 2 10 1 10.0 1.7 >sigma
1 119 LEU 7 2 12 1 8.3 1.3 >sigma
1 120 SER 4 3 16 1 6.3 0.8 .
1 121 ALA 3 3 14 1 7.1 1.0 >sigma
1 122 ILE 6 4 39 1 2.6 0.0 .
1 123 TYR 6 4 14 1 7.1 1.0 >sigma
1 124 ASP 4 5 9 0 0.0 -0.6 .
1 125 PHE 7 6 17 0 0.0 -0.6 .
1 126 GLN 7 3 7 1 14.3 2.6 >sigma
1 127 ILE 6 1 12 1 8.3 1.3 >sigma
1 128 ASN 6 4 11 1 9.1 1.5 >sigma
1 129 ASP 4 3 9 1 11.1 1.9 >sigma
1 130 LYS 7 4 14 2 14.3 2.6 >sigma
1 131 PHE 7 10 18 2 11.1 1.9 >sigma
1 132 LYS 7 5 16 1 6.3 0.8 .
1 133 PRO 5 0 17 0 0.0 -0.6 .
1 134 TYR 6 5 21 3 14.3 2.6 >sigma
1 135 ILE 6 4 19 2 10.5 1.8 >sigma
1 136 GLY 3 3 18 1 5.6 0.7 .
1 137 ALA 3 4 13 1 7.7 1.2 >sigma
1 138 ARG 7 3 17 1 5.9 0.8 .
1 139 VAL 5 4 11 1 9.1 1.5 >sigma
1 140 ALA 3 2 15 1 6.7 0.9 .
1 141 TYR 6 0 9 0 0.0 -0.6 .
1 142 GLY 3 0 7 0 0.0 -0.6 .
1 143 HIS 6 0 6 0 0.0 -0.6 .
1 144 VAL 5 0 8 0 0.0 -0.6 .
1 145 ARG 7 0 10 0 0.0 -0.6 .
1 146 HIS 6 0 9 0 0.0 -0.6 .
1 147 SER 4 0 8 0 0.0 -0.6 .
1 148 ILE 6 0 9 0 0.0 -0.6 .
1 149 ASP 4 0 9 0 0.0 -0.6 .
1 150 SER 4 0 8 0 0.0 -0.6 .
1 151 THR 4 0 8 0 0.0 -0.6 .
1 152 LYS 7 0 9 0 0.0 -0.6 .
1 153 LYS 7 0 10 0 0.0 -0.6 .
1 154 THR 4 0 9 0 0.0 -0.6 .
1 155 ILE 6 0 8 0 0.0 -0.6 .
1 156 GLU 5 0 9 0 0.0 -0.6 .
1 157 VAL 5 0 10 0 0.0 -0.6 .
1 158 THR 4 0 8 0 0.0 -0.6 .
1 159 THR 4 0 7 0 0.0 -0.6 .
1 160 VAL 5 0 8 0 0.0 -0.6 .
1 161 PRO 5 0 7 0 0.0 -0.6 .
1 162 SER 4 0 7 0 0.0 -0.6 .
1 163 ASN 6 0 7 0 0.0 -0.6 .
1 164 ALA 3 0 6 0 0.0 -0.6 .
1 165 PRO 5 0 6 0 0.0 -0.6 .
1 166 ASN 6 0 7 0 0.0 -0.6 .
1 167 GLY 3 0 7 0 0.0 -0.6 .
1 168 ALA 3 0 7 0 0.0 -0.6 .
1 169 VAL 5 0 9 0 0.0 -0.6 .
1 170 THR 4 0 9 0 0.0 -0.6 .
1 171 THR 4 0 8 0 0.0 -0.6 .
1 172 TYR 6 0 9 0 0.0 -0.6 .
1 173 ASN 6 0 9 0 0.0 -0.6 .
1 174 THR 4 0 8 0 0.0 -0.6 .
1 175 ASP 4 0 7 0 0.0 -0.6 .
1 176 PRO 5 0 6 0 0.0 -0.6 .
1 177 LYS 7 0 8 0 0.0 -0.6 .
1 178 THR 4 0 8 0 0.0 -0.6 .
1 179 GLN 7 0 8 0 0.0 -0.6 .
1 180 ASN 6 0 9 0 0.0 -0.6 .
1 181 ASP 4 0 8 0 0.0 -0.6 .
1 182 TYR 6 0 9 0 0.0 -0.6 .
1 183 GLN 7 0 10 0 0.0 -0.6 .
1 184 SER 4 0 9 0 0.0 -0.6 .
1 185 ASN 6 0 8 0 0.0 -0.6 .
1 186 SER 4 0 8 0 0.0 -0.6 .
1 187 ILE 6 0 9 0 0.0 -0.6 .
1 188 ARG 7 0 10 0 0.0 -0.6 .
1 189 ARG 7 0 9 0 0.0 -0.6 .
1 190 VAL 5 1 9 0 0.0 -0.6 .
1 191 GLY 3 3 9 1 11.1 1.9 >sigma
1 192 LEU 7 2 7 0 0.0 -0.6 .
1 193 GLY 3 3 13 1 7.7 1.2 >sigma
1 194 VAL 5 2 20 0 0.0 -0.6 .
1 195 ILE 6 3 20 1 5.0 0.6 .
1 196 ALA 3 4 19 1 5.3 0.6 .
1 197 GLY 3 4 14 2 14.3 2.6 >sigma
1 198 VAL 5 3 22 1 4.5 0.5 .
1 199 GLY 3 3 14 1 7.1 1.0 >sigma
1 200 PHE 7 10 13 2 15.4 2.9 >sigma
1 201 ASP 4 4 14 1 7.1 1.0 >sigma
1 202 ILE 6 5 16 2 12.5 2.2 >sigma
1 203 THR 4 3 15 2 13.3 2.4 >sigma
1 204 PRO 5 0 9 0 0.0 -0.6 .
1 205 LYS 7 4 11 1 9.1 1.5 >sigma
1 206 LEU 7 4 18 3 16.7 3.1 >sigma
1 207 THR 4 4 21 1 4.8 0.5 .
1 208 LEU 7 4 10 1 10.0 1.7 >sigma
1 209 ASP 4 2 16 1 6.3 0.8 .
1 210 ALA 3 2 11 1 9.1 1.5 >sigma
1 211 GLY 3 3 11 1 9.1 1.5 >sigma
1 212 TYR 6 2 9 1 11.1 1.9 >sigma
1 213 ARG 7 0 9 0 0.0 -0.6 .
1 214 TYR 6 0 13 0 0.0 -0.6 .
1 215 HIS 6 0 10 0 0.0 -0.6 .
1 216 ASN 6 0 8 0 0.0 -0.6 .
1 217 TRP 10 0 7 0 0.0 -0.6 .
1 218 GLY 3 0 7 0 0.0 -0.6 .
1 219 ARG 7 0 8 0 0.0 -0.6 .
1 220 LEU 7 0 9 0 0.0 -0.6 .
1 221 GLU 5 0 8 0 0.0 -0.6 .
1 222 ASN 6 0 8 0 0.0 -0.6 .
1 223 THR 4 0 8 0 0.0 -0.6 .
1 224 ARG 7 0 9 0 0.0 -0.6 .
1 225 PHE 7 0 10 0 0.0 -0.6 .
1 226 LYS 7 0 10 0 0.0 -0.6 .
1 227 THR 4 0 9 0 0.0 -0.6 .
1 228 HIS 6 0 8 0 0.0 -0.6 .
1 229 GLU 5 0 9 0 0.0 -0.6 .
1 230 ALA 3 0 9 0 0.0 -0.6 .
1 231 SER 4 2 8 1 12.5 2.2 >sigma
1 232 LEU 7 0 9 0 0.0 -0.6 .
1 233 GLY 3 3 11 1 9.1 1.5 >sigma
1 234 VAL 5 3 13 1 7.7 1.2 >sigma
1 235 ARG 7 3 26 1 3.8 0.3 .
1 236 TYR 6 6 17 3 17.6 3.4 >sigma
1 237 ARG 7 4 14 1 7.1 1.0 >sigma
1 238 PHE 7 3 3 0 0.0 -0.6 .
stop_
save_
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