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 |
|
|
652516 |
6xrg   |
30772 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6xrg
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 287
_NOE_completeness_stats.Total_atom_count 4633
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1610
_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 4.4
_NOE_completeness_stats.Constraint_unexpanded_count 759
_NOE_completeness_stats.Constraint_count 759
_NOE_completeness_stats.Constraint_exp_unfiltered_count 4005
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 424
_NOE_completeness_stats.Constraint_intraresidue_count 0
_NOE_completeness_stats.Constraint_surplus_count 7
_NOE_completeness_stats.Constraint_observed_count 328
_NOE_completeness_stats.Constraint_expected_count 4000
_NOE_completeness_stats.Constraint_matched_count 175
_NOE_completeness_stats.Constraint_unmatched_count 153
_NOE_completeness_stats.Constraint_exp_nonobs_count 3825
_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 17 1240 5 0.4 -0.9 .
medium-range 66 881 37 4.2 0.1 .
long-range 245 1879 133 7.1 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 74 21 0 0 3 7 5 6 0 0 . 0 28.4 28.4
shell 2.00 2.50 408 34 1 0 1 6 14 7 4 1 . 0 8.3 11.4
shell 2.50 3.00 803 59 0 0 6 15 21 5 7 5 . 0 7.3 8.9
shell 3.00 3.50 1012 35 0 0 1 9 9 11 2 3 . 0 3.5 6.5
shell 3.50 4.00 1703 26 0 0 0 1 9 9 6 1 . 0 1.5 4.4
shell 4.00 4.50 2666 60 0 0 0 0 7 32 17 3 . 1 2.3 3.5
shell 4.50 5.00 3756 40 0 0 0 0 1 4 19 14 . 2 1.1 2.6
shell 5.00 5.50 4814 28 0 0 0 0 0 1 4 12 . 11 0.6 2.0
shell 5.50 6.00 5586 20 0 0 0 0 0 0 0 4 . 16 0.4 1.6
shell 6.00 6.50 6202 3 0 0 0 0 0 0 0 0 . 3 0.0 1.2
shell 6.50 7.00 7105 1 0 0 0 0 0 0 0 0 . 1 0.0 1.0
shell 7.00 7.50 7629 1 0 0 0 0 0 0 0 0 . 1 0.0 0.8
shell 7.50 8.00 8616 0 0 0 0 0 0 0 0 0 . 0 0.0 0.7
shell 8.00 8.50 9360 0 0 0 0 0 0 0 0 0 . 0 0.0 0.5
shell 8.50 9.00 10372 0 0 0 0 0 0 0 0 0 . 0 0.0 0.5
sums . . 70106 328 1 0 11 38 66 75 59 43 . 35 . .
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 SER 4 0 4 0 0.0 -0.5 .
1 2 PRO 5 0 7 0 0.0 -0.5 .
1 3 ASN 6 0 7 0 0.0 -0.5 .
1 4 TYR 6 0 17 0 0.0 -0.5 .
1 5 ASP 4 0 15 0 0.0 -0.5 .
1 6 LYS 7 0 9 0 0.0 -0.5 .
1 7 TRP 10 0 36 0 0.0 -0.5 .
1 8 GLU 5 0 19 0 0.0 -0.5 .
1 9 MET 6 6 28 2 7.1 0.9 .
1 10 GLU 5 0 15 0 0.0 -0.5 .
1 11 ARG 7 0 20 0 0.0 -0.5 .
1 12 THR 4 0 18 0 0.0 -0.5 .
1 13 ASP 4 0 19 0 0.0 -0.5 .
1 14 ILE 6 4 49 3 6.1 0.7 .
1 15 THR 4 1 14 1 7.1 0.9 .
1 16 MET 6 7 30 4 13.3 2.1 >sigma
1 17 LYS 7 0 20 0 0.0 -0.5 .
1 18 HIS 6 0 11 0 0.0 -0.5 .
1 19 LYS 7 0 15 0 0.0 -0.5 .
1 20 LEU 7 4 45 3 6.7 0.8 .
1 21 GLY 3 0 14 0 0.0 -0.5 .
1 22 GLU 5 0 13 0 0.0 -0.5 .
1 23 GLY 3 0 18 0 0.0 -0.5 .
1 24 GLN 7 0 14 0 0.0 -0.5 .
1 25 TYR 6 0 37 0 0.0 -0.5 .
1 26 GLY 3 0 14 0 0.0 -0.5 .
1 27 GLU 5 0 19 0 0.0 -0.5 .
1 28 VAL 5 0 53 0 0.0 -0.5 .
1 29 TYR 6 0 47 0 0.0 -0.5 .
1 30 GLU 5 0 34 0 0.0 -0.5 .
1 31 GLY 3 0 23 0 0.0 -0.5 .
1 32 VAL 5 7 35 3 8.6 1.2 >sigma
1 33 TRP 10 0 24 0 0.0 -0.5 .
1 34 LYS 7 0 11 0 0.0 -0.5 .
1 35 LYS 7 0 13 0 0.0 -0.5 .
1 36 TYR 6 0 8 0 0.0 -0.5 .
1 37 SER 4 0 18 0 0.0 -0.5 .
1 38 LEU 7 8 25 4 16.0 2.6 >sigma
1 39 THR 4 0 25 0 0.0 -0.5 .
1 40 VAL 5 19 54 9 16.7 2.7 >sigma
1 41 ALA 3 2 33 1 3.0 0.1 .
1 42 VAL 5 6 52 4 7.7 1.0 .
1 43 LYS 7 0 52 0 0.0 -0.5 .
1 44 THR 4 0 26 0 0.0 -0.5 .
1 45 LEU 7 0 44 0 0.0 -0.5 .
1 46 LYS 7 0 14 0 0.0 -0.5 .
1 47 GLU 5 0 10 0 0.0 -0.5 .
1 48 ASP 4 0 10 0 0.0 -0.5 .
1 49 THR 4 0 17 0 0.0 -0.5 .
1 50 MET 6 0 17 0 0.0 -0.5 .
1 51 GLU 5 0 9 0 0.0 -0.5 .
1 52 VAL 5 0 21 0 0.0 -0.5 .
1 53 GLU 5 0 17 0 0.0 -0.5 .
1 54 GLU 5 0 19 0 0.0 -0.5 .
1 55 PHE 7 0 66 0 0.0 -0.5 .
1 56 LEU 7 0 41 0 0.0 -0.5 .
1 57 LYS 7 0 16 0 0.0 -0.5 .
1 58 GLU 5 0 25 0 0.0 -0.5 .
1 59 ALA 3 0 34 0 0.0 -0.5 .
1 60 ALA 3 0 18 0 0.0 -0.5 .
1 61 VAL 5 0 25 0 0.0 -0.5 .
1 62 LEU 7 0 48 0 0.0 -0.5 .
1 63 LYS 7 0 35 0 0.0 -0.5 .
1 64 GLU 5 0 18 0 0.0 -0.5 .
1 65 ILE 6 0 46 0 0.0 -0.5 .
1 66 LYS 7 0 7 0 0.0 -0.5 .
1 67 HIS 6 0 20 0 0.0 -0.5 .
1 68 PRO 5 0 11 0 0.0 -0.5 .
1 69 ASN 6 0 34 0 0.0 -0.5 .
1 70 LEU 7 8 70 6 8.6 1.2 >sigma
1 71 VAL 5 2 47 2 4.3 0.3 .
1 72 GLN 7 0 22 0 0.0 -0.5 .
1 73 LEU 7 0 71 0 0.0 -0.5 .
1 74 LEU 7 5 54 4 7.4 0.9 .
1 75 GLY 3 0 27 0 0.0 -0.5 .
1 76 VAL 5 0 38 0 0.0 -0.5 .
1 77 CYS 4 0 19 0 0.0 -0.5 .
1 78 THR 4 0 18 0 0.0 -0.5 .
1 79 ARG 7 0 12 0 0.0 -0.5 .
1 80 GLU 5 0 13 0 0.0 -0.5 .
1 81 PRO 5 0 13 0 0.0 -0.5 .
1 82 PRO 5 0 10 0 0.0 -0.5 .
1 83 PHE 7 0 48 0 0.0 -0.5 .
1 84 TYR 6 0 37 0 0.0 -0.5 .
1 85 ILE 6 0 65 0 0.0 -0.5 .
1 86 ILE 6 7 68 6 8.8 1.2 >sigma
1 87 THR 4 0 34 0 0.0 -0.5 .
1 88 GLU 5 0 43 0 0.0 -0.5 .
1 89 PHE 7 2 51 2 3.9 0.3 .
1 90 MET 6 7 53 3 5.7 0.6 .
1 91 THR 4 0 14 0 0.0 -0.5 .
1 92 TYR 6 0 34 0 0.0 -0.5 .
1 93 GLY 3 0 14 0 0.0 -0.5 .
1 94 ASN 6 0 24 0 0.0 -0.5 .
1 95 LEU 7 23 85 16 18.8 3.1 >sigma
1 96 LEU 7 8 63 4 6.3 0.7 .
1 97 ASP 4 0 20 0 0.0 -0.5 .
1 98 TYR 6 0 46 0 0.0 -0.5 .
1 99 LEU 7 21 66 8 12.1 1.8 >sigma
1 100 ARG 7 0 16 0 0.0 -0.5 .
1 101 GLU 5 0 13 0 0.0 -0.5 .
1 102 CYS 4 0 15 0 0.0 -0.5 .
1 103 ASN 6 0 8 0 0.0 -0.5 .
1 104 ARG 7 0 11 0 0.0 -0.5 .
1 105 GLN 7 0 9 0 0.0 -0.5 .
1 106 GLU 5 0 10 0 0.0 -0.5 .
1 107 VAL 5 15 47 11 23.4 4.0 >sigma
1 108 ASN 6 0 19 0 0.0 -0.5 .
1 109 ALA 3 5 22 0 0.0 -0.5 .
1 110 VAL 5 4 28 1 3.6 0.2 .
1 111 VAL 5 11 50 5 10.0 1.4 >sigma
1 112 LEU 7 21 60 7 11.7 1.8 >sigma
1 113 LEU 7 7 63 2 3.2 0.1 .
1 114 TYR 6 0 43 0 0.0 -0.5 .
1 115 MET 6 17 65 12 18.5 3.1 >sigma
1 116 ALA 3 7 36 4 11.1 1.6 >sigma
1 117 THR 4 0 28 0 0.0 -0.5 .
1 118 GLN 7 0 39 0 0.0 -0.5 .
1 119 ILE 6 8 62 6 9.7 1.4 >sigma
1 120 SER 4 0 40 0 0.0 -0.5 .
1 121 SER 4 0 20 0 0.0 -0.5 .
1 122 ALA 3 9 37 4 10.8 1.6 >sigma
1 123 MET 6 14 56 7 12.5 1.9 >sigma
1 124 GLU 5 0 28 0 0.0 -0.5 .
1 125 TYR 6 0 37 0 0.0 -0.5 .
1 126 LEU 7 10 60 8 13.3 2.1 >sigma
1 127 GLU 5 0 26 0 0.0 -0.5 .
1 128 LYS 7 0 15 0 0.0 -0.5 .
1 129 LYS 7 0 26 0 0.0 -0.5 .
1 130 ASN 6 0 10 0 0.0 -0.5 .
1 131 PHE 7 2 35 2 5.7 0.6 .
1 132 ILE 6 2 26 1 3.8 0.2 .
1 133 HIS 6 0 18 0 0.0 -0.5 .
1 134 ARG 7 0 22 0 0.0 -0.5 .
1 135 ASP 4 0 12 0 0.0 -0.5 .
1 136 LEU 7 10 49 6 12.2 1.9 >sigma
1 137 ALA 3 0 28 0 0.0 -0.5 .
1 138 ALA 3 12 40 5 12.5 1.9 >sigma
1 139 ARG 7 0 48 0 0.0 -0.5 .
1 140 ASN 6 0 33 0 0.0 -0.5 .
1 141 CYS 4 0 33 0 0.0 -0.5 .
1 142 LEU 7 1 60 1 1.7 -0.2 .
1 143 VAL 5 24 48 8 16.7 2.7 >sigma
1 144 GLY 3 0 19 0 0.0 -0.5 .
1 145 GLU 5 0 10 0 0.0 -0.5 .
1 146 ASN 6 0 16 0 0.0 -0.5 .
1 147 HIS 6 0 15 0 0.0 -0.5 .
1 148 LEU 7 2 49 0 0.0 -0.5 .
1 149 VAL 5 19 55 12 21.8 3.7 >sigma
1 150 LYS 7 0 61 0 0.0 -0.5 .
1 151 VAL 5 7 54 7 13.0 2.0 >sigma
1 152 ALA 3 2 22 2 9.1 1.3 >sigma
1 153 ASP 4 0 17 0 0.0 -0.5 .
1 154 PHE 7 0 52 0 0.0 -0.5 .
1 155 GLY 3 0 18 0 0.0 -0.5 .
1 156 LEU 7 0 52 0 0.0 -0.5 .
1 157 SER 4 0 7 0 0.0 -0.5 .
1 158 ARG 7 0 11 0 0.0 -0.5 .
1 159 LEU 7 0 39 0 0.0 -0.5 .
1 160 MET 6 2 35 2 5.7 0.6 .
1 161 TYR 6 0 10 0 0.0 -0.5 .
1 162 GLY 3 0 8 0 0.0 -0.5 .
1 163 ASP 4 0 10 0 0.0 -0.5 .
1 164 THR 4 0 17 0 0.0 -0.5 .
1 165 TYR 6 0 19 0 0.0 -0.5 .
1 166 THR 4 4 17 2 11.8 1.8 >sigma
1 167 ALA 3 0 6 0 0.0 -0.5 .
1 168 HIS 6 0 6 0 0.0 -0.5 .
1 169 ALA 3 2 12 0 0.0 -0.5 .
1 170 GLY 3 0 6 0 0.0 -0.5 .
1 171 ALA 3 0 12 0 0.0 -0.5 .
1 172 LYS 7 0 6 0 0.0 -0.5 .
1 173 PHE 7 0 24 0 0.0 -0.5 .
1 174 PRO 5 0 14 0 0.0 -0.5 .
1 175 ILE 6 5 40 2 5.0 0.5 .
1 176 LYS 7 0 39 0 0.0 -0.5 .
1 177 TRP 10 2 31 0 0.0 -0.5 .
1 178 THR 4 2 28 1 3.6 0.2 .
1 179 ALA 3 1 20 0 0.0 -0.5 .
1 180 PRO 5 0 42 0 0.0 -0.5 .
1 181 GLU 5 0 27 0 0.0 -0.5 .
1 182 SER 4 0 24 0 0.0 -0.5 .
1 183 LEU 7 4 47 3 6.4 0.7 .
1 184 ALA 3 0 17 0 0.0 -0.5 .
1 185 TYR 6 0 25 0 0.0 -0.5 .
1 186 ASN 6 0 9 0 0.0 -0.5 .
1 187 LYS 7 0 14 0 0.0 -0.5 .
1 188 PHE 7 0 30 0 0.0 -0.5 .
1 189 SER 4 0 19 0 0.0 -0.5 .
1 190 ILE 6 6 49 4 8.2 1.1 >sigma
1 191 LYS 7 0 36 0 0.0 -0.5 .
1 192 SER 4 0 23 0 0.0 -0.5 .
1 193 ASP 4 0 25 0 0.0 -0.5 .
1 194 VAL 5 9 50 4 8.0 1.0 >sigma
1 195 TRP 10 0 39 0 0.0 -0.5 .
1 196 ALA 3 8 21 1 4.8 0.4 .
1 197 PHE 7 0 81 0 0.0 -0.5 .
1 198 GLY 3 0 29 0 0.0 -0.5 .
1 199 VAL 5 9 44 3 6.8 0.8 .
1 200 LEU 7 19 66 8 12.1 1.8 >sigma
1 201 LEU 7 24 63 13 20.6 3.5 >sigma
1 202 TRP 10 2 36 1 2.8 0.0 .
1 203 GLU 5 0 36 0 0.0 -0.5 .
1 204 ILE 6 18 69 10 14.5 2.3 >sigma
1 205 ALA 3 8 31 4 12.9 2.0 >sigma
1 206 THR 4 5 35 2 5.7 0.6 .
1 207 TYR 6 0 32 0 0.0 -0.5 .
1 208 GLY 3 0 27 0 0.0 -0.5 .
1 209 MET 6 4 23 2 8.7 1.2 >sigma
1 210 SER 4 0 13 0 0.0 -0.5 .
1 211 PRO 5 0 23 0 0.0 -0.5 .
1 212 TYR 6 0 47 0 0.0 -0.5 .
1 213 PRO 5 0 18 0 0.0 -0.5 .
1 214 GLY 3 0 10 0 0.0 -0.5 .
1 215 ILE 6 4 39 2 5.1 0.5 .
1 216 ASP 4 0 17 0 0.0 -0.5 .
1 217 LEU 7 8 35 5 14.3 2.3 >sigma
1 218 SER 4 0 12 0 0.0 -0.5 .
1 219 GLN 7 0 31 0 0.0 -0.5 .
1 220 VAL 5 18 49 10 20.4 3.4 >sigma
1 221 TYR 6 0 37 0 0.0 -0.5 .
1 222 GLU 5 0 17 0 0.0 -0.5 .
1 223 LEU 7 10 54 7 13.0 2.0 >sigma
1 224 LEU 7 12 58 6 10.3 1.5 >sigma
1 225 GLU 5 0 23 0 0.0 -0.5 .
1 226 LYS 7 0 18 0 0.0 -0.5 .
1 227 ASP 4 0 8 0 0.0 -0.5 .
1 228 TYR 6 0 38 0 0.0 -0.5 .
1 229 ARG 7 0 13 0 0.0 -0.5 .
1 230 MET 6 5 29 2 6.9 0.8 .
1 231 GLU 5 0 7 0 0.0 -0.5 .
1 232 ARG 7 0 10 0 0.0 -0.5 .
1 233 PRO 5 0 26 0 0.0 -0.5 .
1 234 GLU 5 0 8 0 0.0 -0.5 .
1 235 GLY 3 0 7 0 0.0 -0.5 .
1 236 CYS 4 0 18 0 0.0 -0.5 .
1 237 PRO 5 0 29 0 0.0 -0.5 .
1 238 GLU 5 0 12 0 0.0 -0.5 .
1 239 LYS 7 0 28 0 0.0 -0.5 .
1 240 VAL 5 19 50 11 22.0 3.8 >sigma
1 241 TYR 6 0 26 0 0.0 -0.5 .
1 242 GLU 5 0 17 0 0.0 -0.5 .
1 243 LEU 7 20 52 12 23.1 4.0 >sigma
1 244 MET 6 14 43 3 7.0 0.8 .
1 245 ARG 7 0 17 0 0.0 -0.5 .
1 246 ALA 3 6 17 1 5.9 0.6 .
1 247 CYS 4 0 28 0 0.0 -0.5 .
1 248 TRP 10 3 35 1 2.9 0.0 .
1 249 GLN 7 0 12 0 0.0 -0.5 .
1 250 TRP 10 0 23 0 0.0 -0.5 .
1 251 ASN 6 0 17 0 0.0 -0.5 .
1 252 PRO 5 0 24 0 0.0 -0.5 .
1 253 SER 4 0 11 0 0.0 -0.5 .
1 254 ASP 4 0 14 0 0.0 -0.5 .
1 255 ARG 7 0 22 0 0.0 -0.5 .
1 256 PRO 5 0 24 0 0.0 -0.5 .
1 257 SER 4 0 12 0 0.0 -0.5 .
1 258 PHE 7 3 77 3 3.9 0.2 .
1 259 ALA 3 0 17 0 0.0 -0.5 .
1 260 GLU 5 0 23 0 0.0 -0.5 .
1 261 ILE 6 9 54 4 7.4 0.9 .
1 262 HIS 6 0 22 0 0.0 -0.5 .
1 263 GLN 7 0 16 0 0.0 -0.5 .
1 264 ALA 3 7 23 3 13.0 2.0 >sigma
1 265 PHE 7 11 63 9 14.3 2.3 >sigma
1 266 GLU 5 0 15 0 0.0 -0.5 .
1 267 THR 4 3 18 2 11.1 1.6 >sigma
1 268 MET 6 9 55 6 10.9 1.6 >sigma
1 269 PHE 7 1 43 1 2.3 -0.1 .
1 270 GLN 7 0 12 0 0.0 -0.5 .
1 271 GLU 5 0 7 0 0.0 -0.5 .
1 272 SER 4 0 6 0 0.0 -0.5 .
1 273 SER 4 0 6 0 0.0 -0.5 .
1 274 ILE 6 1 10 1 10.0 1.4 >sigma
1 275 SER 4 0 7 0 0.0 -0.5 .
1 276 ASP 4 0 9 0 0.0 -0.5 .
1 277 GLU 5 0 9 0 0.0 -0.5 .
1 278 VAL 5 2 20 2 10.0 1.4 >sigma
1 279 GLU 5 0 9 0 0.0 -0.5 .
1 280 LYS 7 0 10 0 0.0 -0.5 .
1 281 GLU 5 0 7 0 0.0 -0.5 .
1 282 LEU 7 1 14 1 7.1 0.9 .
1 283 GLY 3 0 7 0 0.0 -0.5 .
1 284 LYS 7 0 7 0 0.0 -0.5 .
1 285 GLN 7 0 8 0 0.0 -0.5 .
1 286 GLY 3 0 7 0 0.0 -0.5 .
1 287 VAL 5 0 3 0 0.0 -0.5 .
stop_
save_
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