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 |
|
|
552637 |
2ksy   |
16678 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2ksy
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 30
_NOE_completeness_stats.Residue_count 247
_NOE_completeness_stats.Total_atom_count 3834
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1287
_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 45.0
_NOE_completeness_stats.Constraint_unexpanded_count 4325
_NOE_completeness_stats.Constraint_count 12490
_NOE_completeness_stats.Constraint_exp_unfiltered_count 4159
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 55
_NOE_completeness_stats.Constraint_intraresidue_count 1167
_NOE_completeness_stats.Constraint_surplus_count 1093
_NOE_completeness_stats.Constraint_observed_count 10175
_NOE_completeness_stats.Constraint_expected_count 3590
_NOE_completeness_stats.Constraint_matched_count 1615
_NOE_completeness_stats.Constraint_unmatched_count 8560
_NOE_completeness_stats.Constraint_exp_nonobs_count 1975
_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 1194 1267 705 55.6 0.9 .
medium-range 1703 1110 492 44.3 -0.0 .
long-range 7278 1213 418 34.5 -0.9 .
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 47 23 0 0 0 1 8 5 7 2 . 0 48.9 48.9
shell 2.00 2.50 267 167 0 3 18 30 61 29 13 6 . 7 62.5 60.5
shell 2.50 3.00 677 398 0 1 19 87 168 53 32 17 . 21 58.8 59.3
shell 3.00 3.50 947 393 0 0 10 58 135 83 56 29 . 22 41.5 50.6
shell 3.50 4.00 1652 634 0 0 17 104 194 137 107 36 . 39 38.4 45.0
shell 4.00 4.50 2296 721 0 1 11 93 189 181 120 59 . 67 31.4 39.7
shell 4.50 5.00 3247 641 0 1 10 62 161 144 133 62 . 68 19.7 32.6
shell 5.00 5.50 3840 434 0 1 8 32 92 109 90 51 . 51 11.3 26.3
shell 5.50 6.00 4504 265 1 0 3 18 48 63 58 35 . 39 5.9 21.0
shell 6.00 6.50 4833 138 0 0 2 6 29 39 37 15 . 10 2.9 17.1
shell 6.50 7.00 5228 69 0 0 1 6 13 22 16 8 . 3 1.3 14.1
shell 7.00 7.50 5535 52 0 0 3 5 11 13 9 7 . 4 0.9 11.9
shell 7.50 8.00 6236 61 0 0 2 2 10 25 12 7 . 3 1.0 10.2
shell 8.00 8.50 6999 73 0 0 0 8 15 20 17 9 . 4 1.0 8.8
shell 8.50 9.00 7327 60 0 0 1 4 10 23 16 6 . 0 0.8 7.7
sums . . 53635 4129 1 7 105 516 1,144 946 723 349 . 338 . .
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 15 16 4 25.0 -1.1 >sigma
1 2 VAL 5 45 12 6 50.0 0.2 .
1 3 GLY 3 51 14 10 71.4 1.3 >sigma
1 4 LEU 7 120 45 22 48.9 0.2 .
1 5 THR 4 68 33 23 69.7 1.2 >sigma
1 6 THR 4 67 21 18 85.7 2.1 >sigma
1 7 LEU 7 130 43 18 41.9 -0.2 .
1 8 PHE 7 89 64 22 34.4 -0.6 .
1 9 TRP 10 265 39 30 76.9 1.6 >sigma
1 10 LEU 7 140 25 11 44.0 -0.1 .
1 11 GLY 3 32 20 10 50.0 0.2 .
1 12 ALA 3 173 32 19 59.4 0.7 .
1 13 ILE 6 108 25 16 64.0 0.9 .
1 14 GLY 3 56 19 12 63.2 0.9 .
1 15 MET 6 113 43 16 37.2 -0.5 .
1 16 LEU 7 161 22 10 45.5 -0.0 .
1 17 VAL 5 117 21 13 61.9 0.8 .
1 18 GLY 3 100 24 11 45.8 -0.0 .
1 19 THR 4 81 32 11 34.4 -0.6 .
1 20 LEU 7 109 22 12 54.5 0.4 .
1 21 ALA 3 86 21 13 61.9 0.8 .
1 22 PHE 7 102 74 26 35.1 -0.6 .
1 23 ALA 3 132 21 15 71.4 1.3 >sigma
1 24 TRP 10 103 16 13 81.3 1.8 >sigma
1 25 ALA 3 80 18 13 72.2 1.4 >sigma
1 26 GLY 3 27 19 9 47.4 0.1 .
1 27 ARG 7 103 10 8 80.0 1.8 >sigma
1 28 ASP 4 38 9 6 66.7 1.1 >sigma
1 29 ALA 3 56 13 9 69.2 1.2 >sigma
1 30 GLY 3 22 7 6 85.7 2.1 >sigma
1 31 SER 4 9 11 4 36.4 -0.5 .
1 32 GLY 3 4 8 2 25.0 -1.1 >sigma
1 33 GLU 5 56 22 7 31.8 -0.7 .
1 34 ARG 7 17 20 5 25.0 -1.1 >sigma
1 35 ARG 7 29 19 8 42.1 -0.2 .
1 36 TYR 6 84 38 22 57.9 0.6 .
1 37 TYR 6 74 48 24 50.0 0.2 .
1 38 VAL 5 92 19 14 73.7 1.4 >sigma
1 39 THR 4 64 35 19 54.3 0.4 .
1 40 LEU 7 103 65 21 32.3 -0.7 .
1 41 VAL 5 94 46 22 47.8 0.1 .
1 42 GLY 3 77 18 10 55.6 0.5 .
1 43 ILE 6 87 60 16 26.7 -1.0 .
1 44 SER 4 135 26 8 30.8 -0.8 .
1 45 GLY 3 60 16 9 56.3 0.5 .
1 46 ILE 6 104 46 27 58.7 0.7 .
1 47 ALA 3 116 27 19 70.4 1.3 >sigma
1 48 ALA 3 66 31 15 48.4 0.1 .
1 49 VAL 5 99 24 17 70.8 1.3 >sigma
1 50 ALA 3 95 26 17 65.4 1.0 >sigma
1 51 TYR 6 96 52 25 48.1 0.1 .
1 52 ALA 3 73 24 19 79.2 1.7 >sigma
1 53 VAL 5 130 41 18 43.9 -0.1 .
1 54 MET 6 101 52 21 40.4 -0.3 .
1 55 ALA 3 163 40 25 62.5 0.9 .
1 56 LEU 7 104 26 20 76.9 1.6 >sigma
1 57 GLY 3 42 14 10 71.4 1.3 >sigma
1 58 VAL 5 71 23 10 43.5 -0.1 .
1 59 GLY 3 65 16 6 37.5 -0.4 .
1 60 TRP 10 173 46 24 52.2 0.3 .
1 61 VAL 5 92 26 8 30.8 -0.8 .
1 62 PRO 5 34 13 5 38.5 -0.4 .
1 63 VAL 5 96 31 18 58.1 0.6 .
1 64 ALA 3 36 10 8 80.0 1.8 >sigma
1 65 GLU 5 48 11 8 72.7 1.4 >sigma
1 66 ARG 7 43 17 6 35.3 -0.6 .
1 67 THR 4 118 21 16 76.2 1.6 >sigma
1 68 VAL 5 105 38 18 47.4 0.1 .
1 69 PHE 7 99 48 19 39.6 -0.3 .
1 70 VAL 5 129 34 10 29.4 -0.9 .
1 71 PRO 5 0 38 0 0.0 -2.4 >sigma
1 72 ARG 7 75 52 10 19.2 -1.4 >sigma
1 73 TYR 6 172 45 20 44.4 -0.1 .
1 74 ILE 6 121 42 15 35.7 -0.5 .
1 75 ASP 4 82 26 11 42.3 -0.2 .
1 76 TRP 10 82 39 10 25.6 -1.1 >sigma
1 77 ILE 6 130 53 19 35.8 -0.5 .
1 78 LEU 7 94 37 17 45.9 -0.0 .
1 79 THR 4 76 40 26 65.0 1.0 .
1 80 THR 4 111 32 11 34.4 -0.6 .
1 81 PRO 5 21 40 8 20.0 -1.3 >sigma
1 82 LEU 7 112 49 13 26.5 -1.0 >sigma
1 83 ILE 6 82 59 16 27.1 -1.0 .
1 84 VAL 5 86 58 23 39.7 -0.3 .
1 85 TYR 6 128 45 28 62.2 0.8 .
1 86 PHE 7 144 61 34 55.7 0.5 .
1 87 LEU 7 73 49 19 38.8 -0.4 .
1 88 GLY 3 67 25 12 48.0 0.1 .
1 89 LEU 7 110 40 26 65.0 1.0 .
1 90 LEU 7 149 60 32 53.3 0.4 .
1 91 ALA 3 56 32 18 56.3 0.5 .
1 92 GLY 3 19 12 7 58.3 0.6 .
1 93 LEU 7 128 46 23 50.0 0.2 .
1 94 ASP 4 53 19 8 42.1 -0.2 .
1 95 SER 4 58 10 7 70.0 1.2 >sigma
1 96 ARG 7 103 14 8 57.1 0.6 .
1 97 GLU 5 75 32 13 40.6 -0.3 .
1 98 PHE 7 147 51 37 72.5 1.4 >sigma
1 99 GLY 3 61 13 8 61.5 0.8 .
1 100 ILE 6 118 23 18 78.3 1.7 >sigma
1 101 VAL 5 120 44 20 45.5 -0.0 .
1 102 ILE 6 152 46 25 54.3 0.4 .
1 103 THR 4 62 22 14 63.6 0.9 .
1 104 LEU 7 101 51 20 39.2 -0.3 .
1 105 ASN 6 153 48 14 29.2 -0.9 .
1 106 THR 4 116 21 14 66.7 1.1 >sigma
1 107 VAL 5 97 23 14 60.9 0.8 .
1 108 VAL 5 107 48 25 52.1 0.3 .
1 109 MET 6 120 39 13 33.3 -0.7 .
1 110 LEU 7 138 26 15 57.7 0.6 .
1 111 ALA 3 67 25 12 48.0 0.1 .
1 112 GLY 3 129 14 5 35.7 -0.5 .
1 113 PHE 7 135 51 24 47.1 0.1 .
1 114 ALA 3 134 24 15 62.5 0.9 .
1 115 GLY 3 112 35 14 40.0 -0.3 .
1 116 ALA 3 108 27 14 51.9 0.3 .
1 117 MET 6 87 39 14 35.9 -0.5 .
1 118 VAL 5 56 44 8 18.2 -1.4 >sigma
1 119 PRO 5 0 14 0 0.0 -2.4 >sigma
1 120 GLY 3 72 19 8 42.1 -0.2 .
1 121 ILE 6 79 29 15 51.7 0.3 .
1 122 GLU 5 60 33 12 36.4 -0.5 .
1 123 ARG 7 32 57 8 14.0 -1.7 >sigma
1 124 TYR 6 71 31 15 48.4 0.1 .
1 125 ALA 3 74 14 11 78.6 1.7 >sigma
1 126 LEU 7 121 40 17 42.5 -0.2 .
1 127 PHE 7 83 46 19 41.3 -0.2 .
1 128 GLY 3 117 12 9 75.0 1.5 >sigma
1 129 MET 6 123 31 13 41.9 -0.2 .
1 130 GLY 3 68 30 6 20.0 -1.3 >sigma
1 131 ALA 3 122 25 13 52.0 0.3 .
1 132 VAL 5 106 23 16 69.6 1.2 >sigma
1 133 ALA 3 132 28 16 57.1 0.6 .
1 134 PHE 7 90 44 23 52.3 0.3 .
1 135 ILE 6 106 29 16 55.2 0.5 .
1 136 GLY 3 59 18 10 55.6 0.5 .
1 137 LEU 7 124 67 27 40.3 -0.3 .
1 138 VAL 5 84 39 24 61.5 0.8 .
1 139 TYR 6 92 29 14 48.3 0.1 .
1 140 TYR 6 97 38 15 39.5 -0.3 .
1 141 LEU 7 100 46 17 37.0 -0.5 .
1 142 VAL 5 91 23 10 43.5 -0.1 .
1 143 GLY 3 50 16 7 43.8 -0.1 .
1 144 PRO 5 0 15 0 0.0 -2.4 >sigma
1 145 MET 6 133 44 15 34.1 -0.6 .
1 146 THR 4 80 21 8 38.1 -0.4 .
1 147 GLU 5 81 19 10 52.6 0.3 .
1 148 SER 4 109 18 8 44.4 -0.1 .
1 149 ALA 3 49 32 15 46.9 0.0 .
1 150 SER 4 37 21 6 28.6 -0.9 .
1 151 GLN 7 113 17 10 58.8 0.7 .
1 152 ARG 7 29 30 7 23.3 -1.2 >sigma
1 153 SER 4 78 22 6 27.3 -1.0 .
1 154 SER 4 1 8 0 0.0 -2.4 >sigma
1 155 GLY 3 33 16 1 6.3 -2.1 >sigma
1 156 ILE 6 156 58 22 37.9 -0.4 .
1 157 LYS 7 53 25 5 20.0 -1.3 >sigma
1 158 SER 4 83 15 6 40.0 -0.3 .
1 159 LEU 7 104 44 16 36.4 -0.5 .
1 160 TYR 6 56 56 26 46.4 0.0 .
1 161 VAL 5 65 30 16 53.3 0.4 .
1 162 ARG 7 68 25 11 44.0 -0.1 .
1 163 LEU 7 97 56 25 44.6 -0.1 .
1 164 ARG 7 31 57 10 17.5 -1.5 >sigma
1 165 ASN 6 72 30 10 33.3 -0.7 .
1 166 LEU 7 89 37 16 43.2 -0.1 .
1 167 THR 4 63 35 19 54.3 0.4 .
1 168 VAL 5 108 38 17 44.7 -0.1 .
1 169 VAL 5 104 27 16 59.3 0.7 .
1 170 LEU 7 104 54 23 42.6 -0.2 .
1 171 TRP 10 150 68 27 39.7 -0.3 .
1 172 ALA 3 62 25 16 64.0 0.9 .
1 173 ILE 6 107 41 24 58.5 0.7 .
1 174 TYR 6 66 44 16 36.4 -0.5 .
1 175 PRO 5 0 30 0 0.0 -2.4 >sigma
1 176 PHE 7 164 39 19 48.7 0.1 .
1 177 ILE 6 109 54 29 53.7 0.4 .
1 178 TRP 10 190 60 26 43.3 -0.1 .
1 179 LEU 7 170 49 18 36.7 -0.5 .
1 180 LEU 7 120 50 18 36.0 -0.5 .
1 181 GLY 3 100 17 7 41.2 -0.2 .
1 182 PRO 5 0 23 0 0.0 -2.4 >sigma
1 183 PRO 5 0 24 0 0.0 -2.4 >sigma
1 184 GLY 3 144 22 5 22.7 -1.2 >sigma
1 185 VAL 5 110 31 17 54.8 0.5 .
1 186 ALA 3 67 19 10 52.6 0.3 .
1 187 LEU 7 77 36 14 38.9 -0.4 .
1 188 LEU 7 68 25 9 36.0 -0.5 .
1 189 THR 4 101 20 8 40.0 -0.3 .
1 190 PRO 5 0 25 0 0.0 -2.4 >sigma
1 191 THR 4 41 26 10 38.5 -0.4 .
1 192 VAL 5 118 35 15 42.9 -0.2 .
1 193 ASP 4 37 26 4 15.4 -1.6 >sigma
1 194 VAL 5 107 50 19 38.0 -0.4 .
1 195 ALA 3 60 26 13 50.0 0.2 .
1 196 LEU 7 107 34 14 41.2 -0.2 .
1 197 ILE 6 89 57 22 38.6 -0.4 .
1 198 VAL 5 134 41 18 43.9 -0.1 .
1 199 TYR 6 93 28 17 60.7 0.8 .
1 200 LEU 7 139 53 28 52.8 0.4 .
1 201 ASP 4 83 15 10 66.7 1.1 >sigma
1 202 LEU 7 144 41 16 39.0 -0.4 .
1 203 VAL 5 91 30 14 46.7 0.0 .
1 204 THR 4 106 31 16 51.6 0.3 .
1 206 VAL 5 138 35 18 51.4 0.3 .
1 207 GLY 3 51 16 12 75.0 1.5 >sigma
1 208 PHE 7 88 40 20 50.0 0.2 .
1 209 GLY 3 71 24 7 29.2 -0.9 .
1 210 PHE 7 149 33 23 69.7 1.2 >sigma
1 211 ILE 6 98 36 21 58.3 0.6 .
1 212 ALA 3 100 32 22 68.8 1.2 >sigma
1 213 LEU 7 151 43 26 60.5 0.7 .
1 214 ASP 4 77 13 9 69.2 1.2 >sigma
1 215 ALA 3 79 24 13 54.2 0.4 .
1 216 ALA 3 66 24 15 62.5 0.9 .
1 217 ALA 3 98 17 9 52.9 0.4 .
1 218 THR 4 104 19 14 73.7 1.4 >sigma
1 219 LEU 7 127 32 19 59.4 0.7 .
1 220 ARG 7 62 15 5 33.3 -0.7 .
1 221 ALA 3 94 16 11 68.8 1.2 >sigma
1 222 GLU 5 99 13 10 76.9 1.6 >sigma
1 223 HIS 6 33 11 7 63.6 0.9 .
1 224 GLY 3 44 7 3 42.9 -0.2 .
1 225 GLU 5 63 6 4 66.7 1.1 >sigma
1 226 SER 4 13 7 4 57.1 0.6 .
1 227 LEU 7 53 7 2 28.6 -0.9 .
1 228 ALA 3 31 5 2 40.0 -0.3 .
1 229 GLY 3 17 5 3 60.0 0.7 .
1 230 VAL 5 35 10 5 50.0 0.2 .
1 231 ASP 4 35 6 4 66.7 1.1 >sigma
1 232 THR 4 29 9 4 44.4 -0.1 .
1 233 ASP 4 13 8 6 75.0 1.5 >sigma
1 234 THR 4 25 8 3 37.5 -0.4 .
1 235 PRO 5 0 8 0 0.0 -2.4 >sigma
1 236 ALA 3 26 6 2 33.3 -0.7 .
1 237 VAL 5 44 6 4 66.7 1.1 >sigma
1 238 ALA 3 27 7 4 57.1 0.6 .
1 239 ASP 4 13 7 3 42.9 -0.2 .
1 240 LEU 7 58 8 2 25.0 -1.1 >sigma
1 241 GLU 5 37 9 1 11.1 -1.8 >sigma
1 242 HIS 6 0 9 0 0.0 -2.4 >sigma
1 243 HIS 6 0 8 0 0.0 -2.4 >sigma
1 244 HIS 6 0 8 0 0.0 -2.4 >sigma
1 245 HIS 6 0 8 0 0.0 -2.4 >sigma
1 246 HIS 6 0 8 0 0.0 -2.4 >sigma
1 247 HIS 6 0 4 0 0.0 -2.4 >sigma
stop_
save_
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