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 |
|
|
648154 |
6yts   |
27989 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6yts
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 247
_NOE_completeness_stats.Total_atom_count 3862
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1337
_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 26.7
_NOE_completeness_stats.Constraint_unexpanded_count 3025
_NOE_completeness_stats.Constraint_count 3025
_NOE_completeness_stats.Constraint_exp_unfiltered_count 4704
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 117
_NOE_completeness_stats.Constraint_intraresidue_count 849
_NOE_completeness_stats.Constraint_surplus_count 26
_NOE_completeness_stats.Constraint_observed_count 2033
_NOE_completeness_stats.Constraint_expected_count 4681
_NOE_completeness_stats.Constraint_matched_count 1248
_NOE_completeness_stats.Constraint_unmatched_count 785
_NOE_completeness_stats.Constraint_exp_nonobs_count 3433
_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 795 1149 574 50.0 1.0 .
medium-range 586 1029 270 26.2 -0.2 .
long-range 652 2503 404 16.1 -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 88 35 8 6 12 9 0 0 0 0 . 0 39.8 39.8
shell 2.00 2.50 528 244 13 60 86 50 23 8 4 0 . 0 46.2 45.3
shell 2.50 3.00 838 304 4 54 88 80 58 14 4 1 . 1 36.3 40.1
shell 3.00 3.50 1269 323 0 20 72 109 77 28 13 4 . 0 25.5 33.3
shell 3.50 4.00 1958 342 0 0 41 101 97 68 28 6 . 1 17.5 26.7
shell 4.00 4.50 2897 398 0 0 2 45 162 114 58 13 . 4 13.7 21.7
shell 4.50 5.00 3989 242 0 0 0 5 50 101 63 22 . 1 6.1 16.3
shell 5.00 5.50 4698 107 0 0 0 2 7 28 54 16 . 0 2.3 12.3
shell 5.50 6.00 5514 29 0 0 0 0 2 2 19 6 . 0 0.5 9.3
shell 6.00 6.50 6027 6 0 0 0 0 0 1 0 5 . 0 0.1 7.3
shell 6.50 7.00 6743 1 0 0 0 0 0 0 1 0 . 0 0.0 5.9
shell 7.00 7.50 7420 2 0 0 0 0 0 0 2 0 . 0 0.0 4.8
shell 7.50 8.00 8067 0 0 0 0 0 0 0 0 0 . 0 0.0 4.1
shell 8.00 8.50 8867 0 0 0 0 0 0 0 0 0 . 0 0.0 3.5
shell 8.50 9.00 9640 0 0 0 0 0 0 0 0 0 . 0 0.0 3.0
sums . . 68543 2033 25 140 301 401 476 364 246 73 . 7 . .
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 ASP 4 0 10 0 0.0 -2.0 >sigma
1 2 VAL 5 28 56 20 35.7 0.3 .
1 3 SER 4 23 22 15 68.2 2.5 >sigma
1 4 PHE 7 17 62 11 17.7 -0.8 .
1 5 ARG 7 18 23 9 39.1 0.6 .
1 6 LEU 7 30 79 17 21.5 -0.6 .
1 7 SER 4 16 20 8 40.0 0.6 .
1 8 GLY 3 9 7 6 85.7 3.6 >sigma
1 9 ALA 3 18 29 10 34.5 0.3 .
1 10 THR 4 16 26 9 34.6 0.3 .
1 11 SER 4 9 21 6 28.6 -0.1 .
1 12 SER 4 4 13 3 23.1 -0.5 .
1 13 SER 4 15 22 5 22.7 -0.5 .
1 14 TYR 6 29 70 18 25.7 -0.3 .
1 15 GLY 3 13 17 7 41.2 0.7 .
1 16 VAL 5 19 24 11 45.8 1.0 >sigma
1 17 PHE 7 30 72 16 22.2 -0.5 .
1 18 ILE 6 46 65 24 36.9 0.4 .
1 19 SER 4 15 25 8 32.0 0.1 .
1 20 ASN 6 18 31 7 22.6 -0.5 .
1 21 LEU 7 31 74 17 23.0 -0.5 .
1 22 ARG 7 20 72 9 12.5 -1.2 >sigma
1 23 LYS 7 16 21 7 33.3 0.2 .
1 24 ALA 3 19 23 10 43.5 0.9 .
1 25 LEU 7 17 62 9 14.5 -1.0 >sigma
1 26 PRO 5 6 30 5 16.7 -0.9 .
1 27 TYR 6 20 36 13 36.1 0.4 .
1 28 GLU 5 19 35 11 31.4 0.1 .
1 29 ARG 7 19 39 12 30.8 0.0 .
1 30 LYS 7 27 38 14 36.8 0.4 .
1 31 LEU 7 22 59 13 22.0 -0.6 .
1 32 TYR 6 18 29 7 24.1 -0.4 .
1 33 ASP 4 21 16 11 68.8 2.5 >sigma
1 34 ILE 6 18 49 11 22.4 -0.5 .
1 35 PRO 5 10 30 6 20.0 -0.7 .
1 36 LEU 7 25 64 16 25.0 -0.4 .
1 37 LEU 7 9 48 6 12.5 -1.2 >sigma
1 38 ARG 7 16 53 7 13.2 -1.1 >sigma
1 39 SER 4 20 33 12 36.4 0.4 .
1 40 THR 4 10 10 4 40.0 0.6 .
1 41 LEU 7 15 52 4 7.7 -1.5 >sigma
1 42 PRO 5 18 26 14 53.8 1.5 >sigma
1 43 GLY 3 9 15 7 46.7 1.1 >sigma
1 44 SER 4 14 22 9 40.9 0.7 .
1 45 GLN 7 19 33 12 36.4 0.4 .
1 46 ARG 7 18 40 12 30.0 -0.0 .
1 47 TYR 6 24 53 12 22.6 -0.5 .
1 48 ALA 3 17 23 8 34.8 0.3 .
1 49 LEU 7 17 49 9 18.4 -0.8 .
1 50 ILE 6 35 74 23 31.1 0.0 .
1 51 HIS 6 32 26 20 76.9 3.1 >sigma
1 52 LEU 7 19 67 12 17.9 -0.8 .
1 53 THR 4 28 39 17 43.6 0.9 .
1 54 ASN 6 33 58 19 32.8 0.2 .
1 55 TYR 6 30 42 17 40.5 0.7 .
1 56 ALA 3 17 18 11 61.1 2.0 >sigma
1 57 ASP 4 19 12 12 100.0 4.6 >sigma
1 58 GLU 5 20 26 11 42.3 0.8 .
1 59 THR 4 19 23 12 52.2 1.4 >sigma
1 60 ILE 6 29 60 17 28.3 -0.1 .
1 61 SER 4 25 30 12 40.0 0.6 .
1 62 VAL 5 24 59 13 22.0 -0.6 .
1 63 ALA 3 22 40 9 22.5 -0.5 .
1 64 ILE 6 29 67 15 22.4 -0.5 .
1 65 ASP 4 17 34 7 20.6 -0.6 .
1 66 VAL 5 25 52 13 25.0 -0.4 .
1 67 THR 4 21 30 13 43.3 0.9 .
1 68 ASN 6 16 26 10 38.5 0.5 .
1 69 VAL 5 17 56 12 21.4 -0.6 .
1 70 TYR 6 13 35 10 28.6 -0.1 .
1 71 VAL 5 24 54 17 31.5 0.1 .
1 72 MET 6 17 51 10 19.6 -0.7 .
1 73 GLY 3 22 25 14 56.0 1.7 >sigma
1 74 TYR 6 22 66 11 16.7 -0.9 .
1 75 ARG 7 29 71 17 23.9 -0.4 .
1 76 ALA 3 19 32 12 37.5 0.5 .
1 77 GLY 3 10 9 5 55.6 1.7 >sigma
1 78 ASP 4 7 20 5 25.0 -0.4 .
1 79 THR 4 16 25 8 32.0 0.1 .
1 80 SER 4 19 39 9 23.1 -0.5 .
1 81 TYR 6 19 58 11 19.0 -0.8 .
1 82 PHE 7 33 72 22 30.6 0.0 .
1 83 PHE 7 22 72 14 19.4 -0.7 .
1 84 ASN 6 23 28 19 67.9 2.5 >sigma
1 85 GLU 5 8 27 6 22.2 -0.5 .
1 86 ALA 3 0 12 0 0.0 -2.0 >sigma
1 87 SER 4 2 16 1 6.3 -1.6 >sigma
1 88 ALA 3 19 36 13 36.1 0.4 .
1 89 THR 4 15 18 8 44.4 0.9 .
1 90 GLU 5 8 21 6 28.6 -0.1 .
1 91 ALA 3 10 34 6 17.6 -0.8 .
1 92 ALA 3 24 38 17 44.7 0.9 .
1 93 LYS 7 10 22 8 36.4 0.4 .
1 94 TYR 6 17 44 13 29.5 -0.1 .
1 95 VAL 5 25 53 18 34.0 0.2 .
1 96 PHE 7 21 83 13 15.7 -1.0 .
1 97 LYS 7 18 22 9 40.9 0.7 .
1 98 ASP 4 10 15 7 46.7 1.1 >sigma
1 99 ALA 3 18 38 13 34.2 0.3 .
1 100 LYS 7 10 18 8 44.4 0.9 .
1 101 ARG 7 12 27 9 33.3 0.2 .
1 102 LYS 7 11 40 8 20.0 -0.7 .
1 103 VAL 5 18 37 10 27.0 -0.2 .
1 104 THR 4 14 14 10 71.4 2.7 >sigma
1 105 LEU 7 16 58 11 19.0 -0.8 .
1 106 PRO 5 6 19 5 26.3 -0.3 .
1 107 TYR 6 23 50 14 28.0 -0.2 .
1 108 SER 4 23 31 15 48.4 1.2 >sigma
1 109 GLY 3 11 27 7 25.9 -0.3 .
1 110 ASN 6 18 27 8 29.6 -0.1 .
1 111 TYR 6 3 35 3 8.6 -1.4 >sigma
1 112 GLU 5 14 24 9 37.5 0.5 .
1 113 ARG 7 23 48 16 33.3 0.2 .
1 114 LEU 7 19 58 8 13.8 -1.1 >sigma
1 115 GLN 7 11 38 8 21.1 -0.6 .
1 116 ILE 6 16 30 11 36.7 0.4 .
1 117 ALA 3 11 23 9 39.1 0.6 .
1 118 ALA 3 19 30 14 46.7 1.1 >sigma
1 119 GLY 3 10 10 6 60.0 1.9 >sigma
1 120 LYS 7 19 38 13 34.2 0.3 .
1 121 ILE 6 20 42 14 33.3 0.2 .
1 122 ARG 7 12 51 7 13.7 -1.1 >sigma
1 123 GLU 5 11 30 8 26.7 -0.2 .
1 124 ASN 6 19 33 14 42.4 0.8 .
1 125 ILE 6 18 72 10 13.9 -1.1 >sigma
1 126 PRO 5 5 27 2 7.4 -1.5 >sigma
1 127 LEU 7 16 72 9 12.5 -1.2 >sigma
1 128 GLY 3 12 36 8 22.2 -0.5 .
1 129 LEU 7 15 68 10 14.7 -1.0 >sigma
1 130 PRO 5 13 34 10 29.4 -0.1 .
1 131 ALA 3 21 35 12 34.3 0.3 .
1 132 LEU 7 16 65 9 13.8 -1.1 >sigma
1 133 ASP 4 16 40 13 32.5 0.1 .
1 134 SER 4 12 17 6 35.3 0.3 .
1 135 ALA 3 8 35 4 11.4 -1.2 >sigma
1 136 ILE 6 29 76 15 19.7 -0.7 .
1 137 THR 4 22 26 14 53.8 1.5 >sigma
1 138 THR 4 23 39 17 43.6 0.9 .
1 139 LEU 7 29 63 11 17.5 -0.9 .
1 140 PHE 7 33 44 19 43.2 0.8 .
1 141 TYR 6 16 26 9 34.6 0.3 .
1 142 TYR 6 22 37 13 35.1 0.3 .
1 143 ASN 6 22 27 12 44.4 0.9 .
1 144 ALA 3 16 18 7 38.9 0.6 .
1 145 ASN 6 6 12 2 16.7 -0.9 .
1 146 SER 4 16 20 13 65.0 2.3 >sigma
1 147 ALA 3 20 34 16 47.1 1.1 >sigma
1 148 ALA 3 14 28 7 25.0 -0.4 .
1 149 SER 4 11 30 9 30.0 -0.0 .
1 150 ALA 3 12 27 8 29.6 -0.1 .
1 151 LEU 7 19 75 10 13.3 -1.1 >sigma
1 152 MET 6 15 55 8 14.5 -1.0 >sigma
1 153 VAL 5 13 47 9 19.1 -0.7 .
1 154 LEU 7 15 66 11 16.7 -0.9 .
1 155 ILE 6 16 56 14 25.0 -0.4 .
1 156 GLN 7 15 51 8 15.7 -1.0 .
1 157 SER 4 15 33 7 21.2 -0.6 .
1 158 THR 4 23 41 14 34.1 0.2 .
1 159 SER 4 12 26 8 30.8 0.0 .
1 160 GLU 5 9 42 7 16.7 -0.9 .
1 161 ALA 3 22 45 12 26.7 -0.2 .
1 162 ALA 3 17 39 13 33.3 0.2 .
1 163 ARG 7 16 68 13 19.1 -0.7 .
1 164 TYR 6 21 69 11 15.9 -1.0 .
1 165 LYS 7 6 43 3 7.0 -1.5 >sigma
1 166 PHE 7 16 54 11 20.4 -0.7 .
1 167 ILE 6 25 83 19 22.9 -0.5 .
1 168 GLU 5 18 50 14 28.0 -0.2 .
1 169 GLN 7 21 30 12 40.0 0.6 .
1 170 GLN 7 17 38 9 23.7 -0.4 .
1 171 ILE 6 33 78 19 24.4 -0.4 .
1 172 GLY 3 19 28 13 46.4 1.1 >sigma
1 173 LYS 7 11 25 8 32.0 0.1 .
1 174 ARG 7 17 65 9 13.8 -1.1 >sigma
1 175 VAL 5 11 33 8 24.2 -0.4 .
1 176 ASP 4 6 15 5 33.3 0.2 .
1 177 LYS 7 14 32 7 21.9 -0.6 .
1 178 THR 4 18 35 10 28.6 -0.1 .
1 179 PHE 7 22 46 11 23.9 -0.4 .
1 180 LEU 7 7 21 6 28.6 -0.1 .
1 181 PRO 5 9 51 9 17.6 -0.8 .
1 182 SER 4 13 23 9 39.1 0.6 .
1 183 LEU 7 11 37 9 24.3 -0.4 .
1 184 ALA 3 16 35 9 25.7 -0.3 .
1 185 ILE 6 21 73 15 20.5 -0.6 .
1 186 ILE 6 17 54 14 25.9 -0.3 .
1 187 SER 4 14 29 9 31.0 0.0 .
1 188 LEU 7 12 60 8 13.3 -1.1 >sigma
1 189 GLU 5 8 30 4 13.3 -1.1 >sigma
1 190 ASN 6 11 13 7 53.8 1.5 >sigma
1 191 SER 4 10 27 8 29.6 -0.1 .
1 192 TRP 10 16 67 11 16.4 -0.9 .
1 193 SER 4 5 13 3 23.1 -0.5 .
1 194 ALA 3 18 25 9 36.0 0.4 .
1 195 LEU 7 8 64 7 10.9 -1.3 >sigma
1 196 SER 4 9 35 4 11.4 -1.2 >sigma
1 197 LYS 7 12 39 8 20.5 -0.7 .
1 198 GLN 7 9 55 7 12.7 -1.2 >sigma
1 199 ILE 6 19 60 13 21.7 -0.6 .
1 200 GLN 7 16 54 15 27.8 -0.2 .
1 201 ILE 6 25 48 15 31.3 0.1 .
1 202 ALA 3 28 37 18 48.6 1.2 >sigma
1 203 SER 4 16 25 7 28.0 -0.2 .
1 204 THR 4 13 15 5 33.3 0.2 .
1 205 ASN 6 34 28 19 67.9 2.5 >sigma
1 206 ASN 6 12 11 7 63.6 2.2 >sigma
1 207 GLY 3 18 18 9 50.0 1.3 >sigma
1 208 GLN 7 19 23 14 60.9 2.0 >sigma
1 209 PHE 7 24 65 9 13.8 -1.1 >sigma
1 210 GLU 5 10 21 8 38.1 0.5 .
1 211 THR 4 10 17 7 41.2 0.7 .
1 212 PRO 5 7 23 6 26.1 -0.3 .
1 213 VAL 5 10 51 4 7.8 -1.5 >sigma
1 214 VAL 5 10 25 4 16.0 -0.9 .
1 215 LEU 7 11 48 5 10.4 -1.3 >sigma
1 216 ILE 6 22 61 18 29.5 -0.1 .
1 217 ASN 6 18 28 9 32.1 0.1 .
1 218 ALA 3 9 21 7 33.3 0.2 .
1 219 GLN 7 19 25 13 52.0 1.4 >sigma
1 220 ASN 6 14 18 12 66.7 2.4 >sigma
1 221 GLN 7 17 30 14 46.7 1.1 >sigma
1 222 ARG 7 9 31 7 22.6 -0.5 .
1 223 VAL 5 15 36 10 27.8 -0.2 .
1 224 THR 4 9 18 6 33.3 0.2 .
1 225 ILE 6 21 52 12 23.1 -0.5 .
1 226 THR 4 15 25 8 32.0 0.1 .
1 227 ASN 6 14 20 6 30.0 -0.0 .
1 228 VAL 5 13 45 6 13.3 -1.1 >sigma
1 229 ASP 4 13 16 7 43.8 0.9 .
1 230 ALA 3 17 19 9 47.4 1.1 >sigma
1 231 GLY 3 0 8 0 0.0 -2.0 >sigma
1 232 VAL 5 3 22 3 13.6 -1.1 >sigma
1 233 VAL 5 13 48 11 22.9 -0.5 .
1 234 THR 4 13 21 7 33.3 0.2 .
1 235 SER 4 6 11 4 36.4 0.4 .
1 236 ASN 6 9 34 5 14.7 -1.0 >sigma
1 237 ILE 6 11 61 7 11.5 -1.2 >sigma
1 238 ALA 3 15 33 11 33.3 0.2 .
1 239 LEU 7 18 74 15 20.3 -0.7 .
1 240 LEU 7 11 75 8 10.7 -1.3 >sigma
1 241 PRO 5 8 40 5 12.5 -1.2 >sigma
1 242 ASN 6 20 44 14 31.8 0.1 .
1 243 ARG 7 12 31 7 22.6 -0.5 .
1 244 ASN 6 7 19 5 26.3 -0.3 .
1 245 ASN 6 18 26 12 46.2 1.0 >sigma
1 246 MET 6 8 27 7 25.9 -0.3 .
1 247 ALA 3 3 6 3 50.0 1.3 >sigma
stop_
save_
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