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 |
|
|
523173 |
2l6x   |
17327 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2l6x
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 243
_NOE_completeness_stats.Total_atom_count 3669
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1247
_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 8.3
_NOE_completeness_stats.Constraint_unexpanded_count 916
_NOE_completeness_stats.Constraint_count 916
_NOE_completeness_stats.Constraint_exp_unfiltered_count 2618
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 524
_NOE_completeness_stats.Constraint_intraresidue_count 0
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 392
_NOE_completeness_stats.Constraint_expected_count 2618
_NOE_completeness_stats.Constraint_matched_count 218
_NOE_completeness_stats.Constraint_unmatched_count 174
_NOE_completeness_stats.Constraint_exp_nonobs_count 2400
_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 154 1155 139 12.0 0.9 .
medium-range 126 959 42 4.4 -0.8 .
long-range 112 504 37 7.3 -0.1 .
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 6 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 2.00 2.50 122 23 0 0 7 5 4 0 7 0 . 0 18.9 18.0
shell 2.50 3.00 517 131 0 0 16 59 35 9 12 0 . 0 25.3 23.9
shell 3.00 3.50 619 22 0 0 1 0 0 0 20 0 . 1 3.6 13.9
shell 3.50 4.00 1354 42 0 0 0 4 11 4 23 0 . 0 3.1 8.3
shell 4.00 4.50 1825 101 0 0 0 2 34 28 35 0 . 2 5.5 7.2
shell 4.50 5.00 2729 20 0 0 0 0 1 3 16 0 . 0 0.7 4.7
shell 5.00 5.50 3665 11 0 0 0 0 0 0 11 0 . 0 0.3 3.2
shell 5.50 6.00 4559 1 0 0 0 0 0 0 0 0 . 1 0.0 2.3
shell 6.00 6.50 4372 1 0 0 0 0 0 0 0 0 . 1 0.0 1.8
shell 6.50 7.00 4631 1 0 0 0 0 0 0 0 0 . 1 0.0 1.4
shell 7.00 7.50 5178 0 0 0 0 0 0 0 0 0 . 0 0.0 1.2
shell 7.50 8.00 6063 1 0 0 0 0 0 0 0 0 . 1 0.0 1.0
shell 8.00 8.50 6476 0 0 0 0 0 0 0 0 0 . 0 0.0 0.8
shell 8.50 9.00 6908 3 0 0 0 0 0 0 0 0 . 3 0.0 0.7
sums . . 49024 357 0 0 24 70 85 44 124 0 . 10 . .
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 -1.3 >sigma
1 2 GLY 3 0 5 0 0.0 -1.3 >sigma
1 3 GLY 3 0 5 0 0.0 -1.3 >sigma
1 4 GLY 3 0 6 0 0.0 -1.3 >sigma
1 5 ASP 4 0 7 0 0.0 -1.3 >sigma
1 6 LEU 7 4 24 2 8.3 -0.1 .
1 7 ASP 4 0 16 0 0.0 -1.3 >sigma
1 8 ALA 3 0 15 0 0.0 -1.3 >sigma
1 9 SER 4 1 13 1 7.7 -0.2 .
1 10 ASP 4 2 25 2 8.0 -0.1 .
1 11 TYR 6 3 43 2 4.7 -0.6 .
1 12 THR 4 2 17 2 11.8 0.4 .
1 13 GLY 3 4 15 2 13.3 0.6 .
1 14 VAL 5 5 20 3 15.0 0.9 .
1 15 SER 4 3 21 1 4.8 -0.6 .
1 16 PHE 7 3 20 2 10.0 0.2 .
1 17 TRP 10 4 18 2 11.1 0.3 .
1 18 LEU 7 4 17 2 11.8 0.4 .
1 19 VAL 5 4 31 2 6.5 -0.3 .
1 20 THR 4 3 20 2 10.0 0.2 .
1 21 ALA 3 3 18 2 11.1 0.3 .
1 22 ALA 3 2 18 2 11.1 0.3 .
1 23 LEU 7 3 39 2 5.1 -0.5 .
1 24 LEU 7 4 29 3 10.3 0.2 .
1 25 ALA 3 4 19 2 10.5 0.2 .
1 26 SER 4 3 21 2 9.5 0.1 .
1 27 THR 4 4 16 2 12.5 0.5 .
1 28 VAL 5 7 28 5 17.9 1.3 >sigma
1 29 PHE 7 3 23 2 8.7 -0.0 .
1 30 PHE 7 4 33 2 6.1 -0.4 .
1 31 PHE 7 3 27 3 11.1 0.3 .
1 32 VAL 5 4 23 3 13.0 0.6 .
1 33 GLU 5 4 28 3 10.7 0.3 .
1 34 ARG 7 4 24 4 16.7 1.1 >sigma
1 35 ASP 4 3 10 2 20.0 1.6 >sigma
1 36 ARG 7 3 16 3 18.8 1.4 >sigma
1 37 VAL 5 15 33 9 27.3 2.7 >sigma
1 38 SER 4 1 28 0 0.0 -1.3 >sigma
1 39 ALA 3 1 11 1 9.1 0.0 .
1 40 LYS 7 2 14 1 7.1 -0.2 .
1 41 TRP 10 11 57 6 10.5 0.2 .
1 42 LYS 7 4 16 2 12.5 0.5 .
1 43 THR 4 2 17 2 11.8 0.4 .
1 44 SER 4 4 31 2 6.5 -0.3 .
1 45 LEU 7 14 44 9 20.5 1.7 >sigma
1 46 THR 4 4 23 3 13.0 0.6 .
1 47 VAL 5 3 38 2 5.3 -0.5 .
1 48 SER 4 3 23 2 8.7 -0.0 .
1 49 GLY 3 4 18 2 11.1 0.3 .
1 50 LEU 7 5 17 3 17.6 1.3 >sigma
1 51 VAL 5 10 46 7 15.2 0.9 .
1 52 THR 4 3 24 2 8.3 -0.1 .
1 53 GLY 3 5 16 3 18.8 1.4 >sigma
1 54 ILE 6 6 19 2 10.5 0.2 .
1 55 ALA 3 3 24 2 8.3 -0.1 .
1 56 PHE 7 3 48 2 4.2 -0.7 .
1 57 TRP 10 2 17 2 11.8 0.4 .
1 58 HIS 6 1 20 1 5.0 -0.5 .
1 59 TYR 6 0 31 0 0.0 -1.3 >sigma
1 60 MET 6 0 26 0 0.0 -1.3 >sigma
1 61 TYR 6 0 20 0 0.0 -1.3 >sigma
1 62 MET 6 0 20 0 0.0 -1.3 >sigma
1 63 ARG 7 0 25 0 0.0 -1.3 >sigma
1 64 GLY 3 2 14 1 7.1 -0.2 .
1 65 VAL 5 3 21 2 9.5 0.1 .
1 66 TRP 10 5 17 3 17.6 1.3 >sigma
1 67 ILE 6 3 29 2 6.9 -0.3 .
1 68 GLU 5 2 17 2 11.8 0.4 .
1 69 THR 4 1 9 0 0.0 -1.3 >sigma
1 70 GLY 3 1 10 1 10.0 0.2 .
1 71 ASP 4 2 6 1 16.7 1.1 >sigma
1 72 SER 4 1 6 0 0.0 -1.3 >sigma
1 73 PRO 5 0 15 0 0.0 -1.3 >sigma
1 74 THR 4 1 9 0 0.0 -1.3 >sigma
1 75 VAL 5 3 24 3 12.5 0.5 .
1 76 PHE 7 3 24 1 4.2 -0.7 .
1 77 ARG 7 0 18 0 0.0 -1.3 >sigma
1 78 TYR 6 2 26 1 3.8 -0.7 .
1 79 ILE 6 5 29 5 17.2 1.2 >sigma
1 80 ASP 4 2 19 1 5.3 -0.5 .
1 81 TRP 10 0 20 0 0.0 -1.3 >sigma
1 82 LEU 7 3 21 1 4.8 -0.6 .
1 83 LEU 7 7 26 4 15.4 0.9 .
1 84 THR 4 5 32 3 9.4 0.1 .
1 85 VAL 5 3 30 2 6.7 -0.3 .
1 86 PRO 5 0 27 0 0.0 -1.3 >sigma
1 87 LEU 7 6 37 4 10.8 0.3 .
1 88 LEU 7 4 40 2 5.0 -0.5 .
1 89 ILE 6 1 42 1 2.4 -0.9 .
1 90 CYS 4 0 18 0 0.0 -1.3 >sigma
1 91 GLU 5 0 35 0 0.0 -1.3 >sigma
1 92 PHE 7 0 44 0 0.0 -1.3 >sigma
1 93 TYR 6 0 25 0 0.0 -1.3 >sigma
1 94 LEU 7 1 17 1 5.9 -0.4 .
1 95 ILE 6 2 39 1 2.6 -0.9 .
1 96 LEU 7 1 38 0 0.0 -1.3 >sigma
1 97 ALA 3 4 26 2 7.7 -0.2 .
1 98 ALA 3 3 14 2 14.3 0.8 .
1 99 ALA 3 7 15 4 26.7 2.6 >sigma
1 100 THR 4 5 15 2 13.3 0.6 .
1 101 ASN 6 2 12 1 8.3 -0.1 .
1 102 VAL 5 5 16 2 12.5 0.5 .
1 103 ALA 3 4 18 0 0.0 -1.3 >sigma
1 104 GLY 3 28 9 1 11.1 0.3 .
1 105 SER 4 2 16 2 12.5 0.5 .
1 106 LEU 7 4 19 1 5.3 -0.5 .
1 107 PHE 7 3 19 1 5.3 -0.5 .
1 108 LYS 7 3 22 3 13.6 0.7 .
1 109 LYS 7 2 31 2 6.5 -0.3 .
1 110 LEU 7 7 20 3 15.0 0.9 .
1 111 LEU 7 4 20 1 5.0 -0.5 .
1 112 VAL 5 3 35 1 2.9 -0.9 .
1 113 GLY 3 6 18 2 11.1 0.3 .
1 114 SER 4 4 16 2 12.5 0.5 .
1 115 LEU 7 5 24 3 12.5 0.5 .
1 116 VAL 5 2 23 2 8.7 -0.0 .
1 117 MET 6 1 26 1 3.8 -0.7 .
1 118 LEU 7 3 31 1 3.2 -0.8 .
1 119 VAL 5 4 38 2 5.3 -0.5 .
1 120 PHE 7 2 17 1 5.9 -0.4 .
1 121 GLY 3 3 14 2 14.3 0.8 .
1 122 TYR 6 2 19 2 10.5 0.2 .
1 123 MET 6 6 24 4 16.7 1.1 >sigma
1 124 GLY 3 1 13 1 7.7 -0.2 .
1 125 GLU 5 3 14 3 21.4 1.8 >sigma
1 126 ALA 3 4 16 4 25.0 2.3 >sigma
1 127 GLY 3 3 11 3 27.3 2.7 >sigma
1 128 ILE 6 4 15 4 26.7 2.6 >sigma
1 129 MET 6 7 26 4 15.4 0.9 .
1 130 ALA 3 3 21 2 9.5 0.1 .
1 131 ALA 3 3 21 3 14.3 0.8 .
1 132 TRP 10 8 13 3 23.1 2.0 >sigma
1 133 PRO 5 0 31 0 0.0 -1.3 >sigma
1 134 ALA 3 3 19 2 10.5 0.2 .
1 135 PHE 7 2 23 2 8.7 -0.0 .
1 136 ILE 6 6 29 2 6.9 -0.3 .
1 137 ILE 6 6 31 2 6.5 -0.3 .
1 138 GLY 3 2 13 1 7.7 -0.2 .
1 139 CYS 4 2 20 2 10.0 0.2 .
1 140 LEU 7 4 19 3 15.8 1.0 >sigma
1 141 ALA 3 3 18 3 16.7 1.1 >sigma
1 142 TRP 10 7 36 4 11.1 0.3 .
1 143 VAL 5 4 24 1 4.2 -0.7 .
1 144 TYR 6 0 18 0 0.0 -1.3 >sigma
1 145 MET 6 0 25 0 0.0 -1.3 >sigma
1 146 ILE 6 11 46 5 10.9 0.3 .
1 147 TYR 6 1 20 1 5.0 -0.5 .
1 148 GLU 5 2 16 2 12.5 0.5 .
1 149 LEU 7 4 22 2 9.1 0.0 .
1 150 TRP 10 9 24 3 12.5 0.5 .
1 151 ALA 3 3 11 1 9.1 0.0 .
1 152 GLY 3 22 10 2 20.0 1.6 >sigma
1 153 GLU 5 2 9 1 11.1 0.3 .
1 154 GLY 3 6 11 3 27.3 2.7 >sigma
1 155 LYS 7 2 9 1 11.1 0.3 .
1 156 SER 4 3 14 0 0.0 -1.3 >sigma
1 157 ALA 3 3 13 0 0.0 -1.3 >sigma
1 158 CYS 4 0 10 0 0.0 -1.3 >sigma
1 159 ASN 6 2 11 2 18.2 1.3 >sigma
1 160 THR 4 1 8 1 12.5 0.5 .
1 161 ALA 3 3 12 2 16.7 1.1 >sigma
1 162 SER 4 3 18 0 0.0 -1.3 >sigma
1 163 PRO 5 0 13 0 0.0 -1.3 >sigma
1 164 ALA 3 5 26 2 7.7 -0.2 .
1 165 VAL 5 6 39 4 10.3 0.2 .
1 166 GLN 7 4 19 1 5.3 -0.5 .
1 167 SER 4 5 20 1 5.0 -0.5 .
1 168 ALA 3 7 30 4 13.3 0.6 .
1 169 TYR 6 3 28 2 7.1 -0.2 .
1 170 ASN 6 3 16 2 12.5 0.5 .
1 171 THR 4 2 27 2 7.4 -0.2 .
1 172 MET 6 4 40 3 7.5 -0.2 .
1 173 MET 6 8 33 5 15.2 0.9 .
1 174 TYR 6 3 19 3 15.8 1.0 >sigma
1 175 ILE 6 3 46 2 4.3 -0.6 .
1 176 ILE 6 2 33 1 3.0 -0.8 .
1 177 ILE 6 7 49 4 8.2 -0.1 .
1 178 PHE 7 1 22 1 4.5 -0.6 .
1 179 GLY 3 3 19 3 15.8 1.0 >sigma
1 180 TRP 10 5 28 2 7.1 -0.2 .
1 181 ALA 3 6 20 5 25.0 2.3 >sigma
1 182 ILE 6 2 35 1 2.9 -0.9 .
1 183 TYR 6 0 26 0 0.0 -1.3 >sigma
1 184 PRO 5 0 32 0 0.0 -1.3 >sigma
1 185 VAL 5 2 23 2 8.7 -0.0 .
1 186 GLY 3 1 20 1 5.0 -0.5 .
1 187 TYR 6 1 27 1 3.7 -0.7 .
1 188 PHE 7 3 15 2 13.3 0.6 .
1 189 THR 4 4 18 2 11.1 0.3 .
1 190 GLY 3 4 15 2 13.3 0.6 .
1 191 TYR 6 3 20 2 10.0 0.2 .
1 192 LEU 7 8 13 4 30.8 3.2 >sigma
1 193 MET 6 2 13 1 7.7 -0.2 .
1 194 GLY 3 3 7 1 14.3 0.8 .
1 195 ASP 4 3 9 3 33.3 3.5 >sigma
1 196 GLY 3 3 7 2 28.6 2.8 >sigma
1 197 GLY 3 2 7 2 28.6 2.8 >sigma
1 198 SER 4 1 12 0 0.0 -1.3 >sigma
1 199 ALA 3 2 13 1 7.7 -0.2 .
1 200 LEU 7 2 31 2 6.5 -0.3 .
1 201 ASN 6 0 20 0 0.0 -1.3 >sigma
1 202 LEU 7 2 18 1 5.6 -0.5 .
1 203 ASN 6 0 25 0 0.0 -1.3 >sigma
1 204 LEU 7 4 39 1 2.6 -0.9 .
1 205 ILE 6 3 44 2 4.5 -0.6 .
1 206 TYR 6 3 17 2 11.8 0.4 .
1 207 ASN 6 3 22 1 4.5 -0.6 .
1 208 LEU 7 2 31 2 6.5 -0.3 .
1 209 ALA 3 4 22 3 13.6 0.7 .
1 210 ASP 4 2 18 2 11.1 0.3 .
1 211 PHE 7 3 47 3 6.4 -0.4 .
1 212 VAL 5 4 34 3 8.8 0.0 .
1 213 ASN 6 1 18 1 5.6 -0.5 .
1 215 ILE 6 2 41 1 2.4 -0.9 .
1 216 LEU 7 4 46 2 4.3 -0.6 .
1 217 PHE 7 3 37 2 5.4 -0.5 .
1 218 GLY 3 5 17 2 11.8 0.4 .
1 219 LEU 7 4 28 2 7.1 -0.2 .
1 220 ILE 6 6 51 3 5.9 -0.4 .
1 221 ILE 6 7 45 4 8.9 0.0 .
1 222 TRP 10 7 34 5 14.7 0.8 .
1 223 ASN 6 4 22 2 9.1 0.0 .
1 224 VAL 5 7 42 3 7.1 -0.2 .
1 225 ALA 3 10 33 3 9.1 0.0 .
1 226 VAL 5 12 35 6 17.1 1.2 >sigma
1 227 LYS 7 4 15 2 13.3 0.6 .
1 228 GLU 5 2 23 2 8.7 -0.0 .
1 229 SER 4 2 20 1 5.0 -0.5 .
1 230 SER 4 0 8 0 0.0 -1.3 >sigma
1 231 ASN 6 0 9 0 0.0 -1.3 >sigma
1 232 ALA 3 0 9 0 0.0 -1.3 >sigma
1 233 PRO 5 0 7 0 0.0 -1.3 >sigma
1 234 GLY 3 0 6 0 0.0 -1.3 >sigma
1 235 GLY 3 0 3 0 0.0 -1.3 >sigma
stop_
save_
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