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 |
|
|
435581 |
2jz4   |
15607 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2jz4
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 299
_NOE_completeness_stats.Total_atom_count 4427
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1534
_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 37.0
_NOE_completeness_stats.Constraint_unexpanded_count 1896
_NOE_completeness_stats.Constraint_count 1896
_NOE_completeness_stats.Constraint_exp_unfiltered_count 2863
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 0
_NOE_completeness_stats.Constraint_intraresidue_count 440
_NOE_completeness_stats.Constraint_surplus_count 1
_NOE_completeness_stats.Constraint_observed_count 1455
_NOE_completeness_stats.Constraint_expected_count 2862
_NOE_completeness_stats.Constraint_matched_count 1059
_NOE_completeness_stats.Constraint_unmatched_count 396
_NOE_completeness_stats.Constraint_exp_nonobs_count 1803
_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 666 1022 478 46.8 1.0 .
medium-range 111 287 80 27.9 -0.7 .
long-range 678 1553 501 32.3 -0.3 .
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 1 0 0 0 0 . 0 100.0 100.0
shell 2.00 2.50 321 242 0 32 142 50 16 2 0 0 . 0 75.4 75.5
shell 2.50 3.00 499 228 0 2 34 103 81 8 0 0 . 0 45.7 57.4
shell 3.00 3.50 778 295 0 0 6 97 159 29 4 0 . 0 37.9 47.9
shell 3.50 4.00 1263 293 0 0 0 24 180 75 13 1 . 0 23.2 37.0
shell 4.00 4.50 2278 255 0 0 0 0 84 138 28 5 . 0 11.2 25.6
shell 4.50 5.00 3203 113 0 0 0 0 0 64 37 12 . 0 3.5 17.1
shell 5.00 5.50 3897 28 0 0 0 0 0 0 15 13 . 0 0.7 11.9
shell 5.50 6.00 4526 0 0 0 0 0 0 0 0 0 . 0 0.0 8.7
shell 6.00 6.50 5217 0 0 0 0 0 0 0 0 0 . 0 0.0 6.6
shell 6.50 7.00 5738 0 0 0 0 0 0 0 0 0 . 0 0.0 5.2
shell 7.00 7.50 6043 0 0 0 0 0 0 0 0 0 . 0 0.0 4.3
shell 7.50 8.00 6881 0 0 0 0 0 0 0 0 0 . 0 0.0 3.6
shell 8.00 8.50 7476 0 0 0 0 0 0 0 0 0 . 0 0.0 3.0
shell 8.50 9.00 7960 0 0 0 0 0 0 0 0 0 . 0 0.0 2.6
sums . . 56081 1455 0 34 182 275 520 316 97 31 . 0 . .
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 4 3 2 66.7 1.9 >sigma
1 2 GLN 7 7 7 3 42.9 0.2 .
1 3 LYS 7 14 21 9 42.9 0.2 .
1 4 VAL 5 14 25 8 32.0 -0.5 .
1 5 GLU 5 10 7 5 71.4 2.2 >sigma
1 6 ALA 3 10 17 8 47.1 0.5 .
1 7 GLY 3 3 7 1 14.3 -1.8 >sigma
1 8 GLY 3 4 15 2 13.3 -1.8 >sigma
1 9 GLY 3 9 18 8 44.4 0.3 .
1 10 ALA 3 6 8 4 50.0 0.7 .
1 11 GLY 3 9 14 6 42.9 0.2 .
1 12 GLY 3 12 16 8 50.0 0.7 .
1 13 ALA 3 6 5 1 20.0 -1.4 >sigma
1 14 SER 4 3 6 3 50.0 0.7 .
1 15 TRP 10 12 15 8 53.3 1.0 .
1 16 ASP 4 3 13 2 15.4 -1.7 >sigma
1 17 ASP 4 1 6 0 0.0 -2.8 >sigma
1 18 GLY 3 0 7 0 0.0 -2.8 >sigma
1 19 VAL 5 0 8 0 0.0 -2.8 >sigma
1 20 HIS 6 0 9 0 0.0 -2.8 >sigma
1 21 ASP 4 3 8 2 25.0 -1.0 >sigma
1 22 GLY 3 6 9 4 44.4 0.3 .
1 23 VAL 5 4 15 3 20.0 -1.4 >sigma
1 24 ARG 7 10 28 8 28.6 -0.8 .
1 25 LYS 7 23 45 16 35.6 -0.3 .
1 26 VAL 5 11 26 9 34.6 -0.3 .
1 27 HIS 6 11 21 9 42.9 0.2 .
1 28 VAL 5 14 34 8 23.5 -1.1 >sigma
1 29 GLY 3 11 12 4 33.3 -0.4 .
1 30 GLN 7 5 10 3 30.0 -0.7 .
1 31 GLY 3 6 11 5 45.5 0.4 .
1 32 GLN 7 5 9 3 33.3 -0.4 .
1 33 ASP 4 6 9 5 55.6 1.1 >sigma
1 34 GLY 3 7 10 5 50.0 0.7 .
1 35 VAL 5 9 30 5 16.7 -1.6 >sigma
1 36 SER 4 6 13 5 38.5 -0.1 .
1 37 SER 4 9 15 7 46.7 0.5 .
1 38 ILE 6 11 24 9 37.5 -0.1 .
1 39 ASN 6 12 24 10 41.7 0.2 .
1 40 VAL 5 3 10 2 20.0 -1.4 >sigma
1 41 VAL 5 15 41 11 26.8 -0.9 .
1 42 TYR 6 8 11 6 54.5 1.0 >sigma
1 43 ALA 3 10 17 9 52.9 0.9 .
1 44 LYS 7 4 11 3 27.3 -0.9 .
1 45 ASP 4 5 8 4 50.0 0.7 .
1 46 SER 4 2 10 2 20.0 -1.4 >sigma
1 47 GLN 7 3 10 3 30.0 -0.7 .
1 48 ASP 4 7 11 4 36.4 -0.2 .
1 49 VAL 5 8 9 4 44.4 0.3 .
1 50 GLU 5 9 17 7 41.2 0.1 .
1 51 GLY 3 3 7 3 42.9 0.2 .
1 52 GLY 3 5 7 3 42.9 0.2 .
1 53 GLU 5 12 16 9 56.3 1.2 >sigma
1 54 HIS 6 7 9 5 55.6 1.1 >sigma
1 55 GLY 3 3 7 3 42.9 0.2 .
1 56 LYS 7 8 11 6 54.5 1.0 >sigma
1 57 LYS 7 10 9 5 55.6 1.1 >sigma
1 58 THR 4 6 10 4 40.0 0.0 .
1 59 LEU 7 6 7 3 42.9 0.2 .
1 60 LEU 7 5 9 4 44.4 0.3 .
1 61 GLY 3 7 8 2 25.0 -1.0 >sigma
1 62 PHE 7 13 11 4 36.4 -0.2 .
1 63 GLU 5 10 14 5 35.7 -0.3 .
1 64 THR 4 14 12 10 83.3 3.1 >sigma
1 65 PHE 7 17 35 13 37.1 -0.2 .
1 66 GLU 5 10 16 6 37.5 -0.1 .
1 67 VAL 5 13 20 8 40.0 0.0 .
1 68 ASP 4 11 15 6 40.0 0.0 .
1 69 ALA 3 6 7 3 42.9 0.2 .
1 70 ASP 4 5 7 3 42.9 0.2 .
1 71 ASP 4 15 22 9 40.9 0.1 .
1 72 TYR 6 11 26 9 34.6 -0.3 .
1 73 ILE 6 16 46 13 28.3 -0.8 .
1 74 VAL 5 14 24 10 41.7 0.2 .
1 75 ALA 3 15 25 13 52.0 0.9 .
1 76 VAL 5 15 40 10 25.0 -1.0 >sigma
1 77 GLN 7 8 16 5 31.3 -0.6 .
1 78 VAL 5 10 40 6 15.0 -1.7 >sigma
1 79 THR 4 16 33 14 42.4 0.2 .
1 80 TYR 6 22 43 17 39.5 0.0 .
1 81 ASP 4 13 21 10 47.6 0.6 .
1 82 ASN 6 9 13 8 61.5 1.5 >sigma
1 83 VAL 5 8 16 7 43.8 0.3 .
1 84 PHE 7 7 6 4 66.7 1.9 >sigma
1 85 GLY 3 6 5 3 60.0 1.4 >sigma
1 86 GLN 7 9 15 7 46.7 0.5 .
1 87 ASP 4 2 5 2 40.0 0.0 .
1 88 SER 4 11 19 9 47.4 0.5 .
1 89 ASP 4 14 25 11 44.0 0.3 .
1 90 ILE 6 12 27 7 25.9 -0.9 .
1 91 ILE 6 17 58 12 20.7 -1.3 >sigma
1 92 THR 4 13 20 10 50.0 0.7 .
1 93 SER 4 18 26 13 50.0 0.7 .
1 94 ILE 6 11 45 8 17.8 -1.5 >sigma
1 95 THR 4 12 28 10 35.7 -0.3 .
1 96 PHE 7 16 50 13 26.0 -0.9 .
1 97 ASN 6 17 28 13 46.4 0.5 .
1 98 THR 4 21 27 12 44.4 0.3 .
1 99 PHE 7 17 32 11 34.4 -0.4 .
1 100 LYS 7 12 28 9 32.1 -0.5 .
1 101 GLY 3 5 8 3 37.5 -0.1 .
1 102 LYS 7 6 11 4 36.4 -0.2 .
1 103 THR 4 11 16 9 56.3 1.2 >sigma
1 104 SER 4 11 18 10 55.6 1.1 >sigma
1 105 PRO 5 8 13 7 53.8 1.0 >sigma
1 106 PRO 5 7 16 4 25.0 -1.0 >sigma
1 107 TYR 6 15 34 10 29.4 -0.7 .
1 108 GLY 3 7 8 5 62.5 1.6 >sigma
1 109 LEU 7 15 11 8 72.7 2.3 >sigma
1 110 GLU 5 15 17 6 35.3 -0.3 .
1 111 THR 4 13 22 10 45.5 0.4 .
1 112 GLN 7 7 13 5 38.5 -0.1 .
1 113 LYS 7 12 27 10 37.0 -0.2 .
1 114 LYS 7 16 26 13 50.0 0.7 .
1 115 PHE 7 15 31 11 35.5 -0.3 .
1 116 VAL 5 7 15 4 26.7 -0.9 .
1 117 LEU 7 12 47 10 21.3 -1.3 >sigma
1 118 LYS 7 8 16 7 43.8 0.3 .
1 119 ASP 4 5 14 3 21.4 -1.3 >sigma
1 120 LYS 7 3 9 2 22.2 -1.2 >sigma
1 121 ASN 6 6 8 3 37.5 -0.1 .
1 122 GLY 3 3 7 2 28.6 -0.8 .
1 123 GLY 3 4 11 3 27.3 -0.9 .
1 124 LYS 7 5 16 5 31.3 -0.6 .
1 125 LEU 7 14 34 11 32.4 -0.5 .
1 126 VAL 5 7 13 7 53.8 1.0 >sigma
1 127 GLY 3 5 12 4 33.3 -0.4 .
1 128 PHE 7 8 23 8 34.8 -0.3 .
1 129 HIS 6 18 24 14 58.3 1.3 >sigma
1 130 GLY 3 7 16 7 43.8 0.3 .
1 131 ARG 7 12 16 7 43.8 0.3 .
1 132 ALA 3 16 22 11 50.0 0.7 .
1 133 GLY 3 10 16 8 50.0 0.7 .
1 134 GLU 5 5 9 2 22.2 -1.2 >sigma
1 135 ALA 3 8 14 6 42.9 0.2 .
1 136 LEU 7 11 44 11 25.0 -1.0 >sigma
1 137 TYR 6 25 42 18 42.9 0.2 .
1 138 ALA 3 14 27 11 40.7 0.1 .
1 139 LEU 7 11 41 9 22.0 -1.2 >sigma
1 140 GLY 3 9 18 7 38.9 -0.0 .
1 141 ALA 3 10 21 7 33.3 -0.4 .
1 142 TYR 6 16 25 14 56.0 1.2 >sigma
1 143 PHE 7 25 40 20 50.0 0.7 .
1 144 ALA 3 6 7 5 71.4 2.2 >sigma
1 145 THR 4 5 7 4 57.1 1.2 >sigma
1 146 THR 4 3 6 3 50.0 0.7 .
1 147 THR 4 2 8 2 25.0 -1.0 >sigma
1 148 THR 4 4 8 4 50.0 0.7 .
1 149 PRO 5 6 7 5 71.4 2.2 >sigma
1 150 VAL 5 5 8 3 37.5 -0.1 .
1 151 THR 4 5 9 3 33.3 -0.4 .
1 152 PRO 5 8 9 6 66.7 1.9 >sigma
1 153 ALA 3 11 16 10 62.5 1.6 >sigma
1 154 LYS 7 13 14 11 78.6 2.7 >sigma
1 155 LYS 7 10 15 9 60.0 1.4 >sigma
1 156 LEU 7 9 28 7 25.0 -1.0 >sigma
1 157 SER 4 7 8 5 62.5 1.6 >sigma
1 158 ALA 3 9 15 8 53.3 1.0 .
1 159 ILE 6 12 13 10 76.9 2.6 >sigma
1 160 GLY 3 6 13 6 46.2 0.5 .
1 161 GLY 3 7 11 5 45.5 0.4 .
1 162 ASP 4 7 8 4 50.0 0.7 .
1 163 GLU 5 10 9 6 66.7 1.9 >sigma
1 164 GLY 3 11 14 6 42.9 0.2 .
1 165 THR 4 6 8 4 50.0 0.7 .
1 166 ALA 3 6 12 6 50.0 0.7 .
1 167 TRP 10 12 24 10 41.7 0.2 .
1 168 ASP 4 1 6 1 16.7 -1.6 >sigma
1 169 ASP 4 4 9 3 33.3 -0.4 .
1 170 GLY 3 3 6 2 33.3 -0.4 .
1 171 ALA 3 6 13 4 30.8 -0.6 .
1 172 TYR 6 9 15 5 33.3 -0.4 .
1 173 ASP 4 8 11 5 45.5 0.4 .
1 174 GLY 3 5 13 5 38.5 -0.1 .
1 175 VAL 5 8 19 5 26.3 -0.9 .
1 176 LYS 7 5 15 5 33.3 -0.4 .
1 177 LYS 7 20 33 13 39.4 -0.0 .
1 178 VAL 5 12 32 9 28.1 -0.8 .
1 179 TYR 6 20 47 13 27.7 -0.8 .
1 180 VAL 5 15 40 11 27.5 -0.8 .
1 181 GLY 3 7 22 6 27.3 -0.9 .
1 182 GLN 7 12 23 9 39.1 -0.0 .
1 183 GLY 3 10 18 5 27.8 -0.8 .
1 184 GLN 7 7 9 4 44.4 0.3 .
1 185 ASP 4 8 11 7 63.6 1.7 >sigma
1 186 GLY 3 9 15 6 40.0 0.0 .
1 187 ILE 6 13 48 12 25.0 -1.0 >sigma
1 188 SER 4 9 15 7 46.7 0.5 .
1 189 ALA 3 21 27 17 63.0 1.6 >sigma
1 190 VAL 5 18 34 12 35.3 -0.3 .
1 191 LYS 7 15 41 11 26.8 -0.9 .
1 192 PHE 7 6 24 5 20.8 -1.3 >sigma
1 193 GLU 5 20 28 14 50.0 0.7 .
1 194 TYR 6 13 24 8 33.3 -0.4 .
1 195 ASN 6 7 9 5 55.6 1.1 >sigma
1 196 LYS 7 11 14 9 64.3 1.7 >sigma
1 197 GLY 3 6 8 5 62.5 1.6 >sigma
1 198 ALA 3 3 7 2 28.6 -0.8 .
1 199 GLU 5 9 16 7 43.8 0.3 .
1 200 ASN 6 8 10 4 40.0 0.0 .
1 201 ILE 6 12 19 9 47.4 0.5 .
1 202 VAL 5 10 11 7 63.6 1.7 >sigma
1 203 GLY 3 4 7 3 42.9 0.2 .
1 204 GLY 3 2 5 2 40.0 0.0 .
1 205 GLU 5 14 21 11 52.4 0.9 .
1 206 HIS 6 9 11 5 45.5 0.4 .
1 207 GLY 3 8 13 6 46.2 0.5 .
1 208 LYS 7 7 11 5 45.5 0.4 .
1 209 PRO 5 6 18 6 33.3 -0.4 .
1 210 THR 4 2 16 2 12.5 -1.9 >sigma
1 211 LEU 7 4 8 3 37.5 -0.1 .
1 212 LEU 7 6 20 5 25.0 -1.0 >sigma
1 213 GLY 3 5 9 3 33.3 -0.4 .
1 214 PHE 7 20 48 13 27.1 -0.9 .
1 215 GLU 5 12 23 8 34.8 -0.3 .
1 216 GLU 5 10 21 9 42.9 0.2 .
1 217 PHE 7 19 35 14 40.0 0.0 .
1 218 GLU 5 8 10 4 40.0 0.0 .
1 219 ILE 6 12 29 9 31.0 -0.6 .
1 220 ASP 4 5 10 3 30.0 -0.7 .
1 221 TYR 6 8 20 5 25.0 -1.0 >sigma
1 222 PRO 5 3 16 3 18.8 -1.4 >sigma
1 223 SER 4 4 12 4 33.3 -0.4 .
1 224 GLU 5 7 20 7 35.0 -0.3 .
1 225 TYR 6 5 15 4 26.7 -0.9 .
1 226 ILE 6 16 38 10 26.3 -0.9 .
1 227 THR 4 7 11 4 36.4 -0.2 .
1 228 ALA 3 14 33 12 36.4 -0.2 .
1 229 VAL 5 17 34 10 29.4 -0.7 .
1 230 GLU 5 13 30 11 36.7 -0.2 .
1 231 GLY 3 9 19 7 36.8 -0.2 .
1 232 THR 4 18 30 17 56.7 1.2 >sigma
1 233 TYR 6 27 46 18 39.1 -0.0 .
1 234 ASP 4 10 20 7 35.0 -0.3 .
1 235 LYS 7 13 18 7 38.9 -0.0 .
1 236 ILE 6 13 26 10 38.5 -0.1 .
1 237 PHE 7 7 7 5 71.4 2.2 >sigma
1 238 GLY 3 2 6 2 33.3 -0.4 .
1 239 SER 4 3 11 3 27.3 -0.9 .
1 240 ASP 4 3 5 2 40.0 0.0 .
1 241 GLY 3 5 8 3 37.5 -0.1 .
1 242 LEU 7 15 34 8 23.5 -1.1 >sigma
1 243 ILE 6 21 43 11 25.6 -1.0 .
1 244 ILE 6 16 50 11 22.0 -1.2 >sigma
1 245 THR 4 18 22 10 45.5 0.4 .
1 246 MET 6 22 47 15 31.9 -0.5 .
1 247 LEU 7 11 40 9 22.5 -1.2 >sigma
1 248 ARG 7 11 41 9 22.0 -1.2 >sigma
1 249 PHE 7 11 36 9 25.0 -1.0 >sigma
1 250 LYS 7 11 20 8 40.0 0.0 .
1 251 THR 4 11 23 9 39.1 -0.0 .
1 252 ASN 6 7 15 6 40.0 0.0 .
1 253 LYS 7 4 7 2 28.6 -0.8 .
1 254 GLN 7 10 21 9 42.9 0.2 .
1 255 THR 4 6 6 5 83.3 3.1 >sigma
1 256 SER 4 10 16 7 43.8 0.3 .
1 257 ALA 3 6 10 5 50.0 0.7 .
1 258 PRO 5 7 17 6 35.3 -0.3 .
1 259 PHE 7 23 44 16 36.4 -0.2 .
1 260 GLY 3 6 11 6 54.5 1.0 >sigma
1 261 LEU 7 9 11 7 63.6 1.7 >sigma
1 262 GLU 5 14 23 12 52.2 0.9 .
1 263 ALA 3 9 13 7 53.8 1.0 >sigma
1 264 GLY 3 4 8 3 37.5 -0.1 .
1 265 THR 4 10 11 7 63.6 1.7 >sigma
1 266 ALA 3 13 13 9 69.2 2.1 >sigma
1 267 PHE 7 23 38 15 39.5 -0.0 .
1 268 GLU 5 10 19 7 36.8 -0.2 .
1 269 LEU 7 13 34 11 32.4 -0.5 .
1 270 LYS 7 11 19 9 47.4 0.5 .
1 271 GLU 5 12 25 9 36.0 -0.2 .
1 272 GLU 5 4 6 2 33.3 -0.4 .
1 273 GLY 3 0 6 0 0.0 -2.8 >sigma
1 274 HIS 6 9 33 8 24.2 -1.1 >sigma
1 275 LYS 7 11 27 6 22.2 -1.2 >sigma
1 276 ILE 6 29 40 23 57.5 1.3 >sigma
1 277 VAL 5 16 31 13 41.9 0.2 .
1 278 GLY 3 5 10 4 40.0 0.0 .
1 279 PHE 7 13 25 10 40.0 0.0 .
1 280 HIS 6 10 18 8 44.4 0.3 .
1 281 GLY 3 4 10 3 30.0 -0.7 .
1 282 LYS 7 21 34 14 41.2 0.1 .
1 283 ALA 3 12 21 11 52.4 0.9 .
1 284 SER 4 5 12 3 25.0 -1.0 >sigma
1 285 GLU 5 7 16 5 31.3 -0.6 .
1 286 LEU 7 9 26 7 26.9 -0.9 .
1 287 LEU 7 8 44 5 11.4 -2.0 >sigma
1 288 HIS 6 9 13 7 53.8 1.0 >sigma
1 289 GLN 7 12 31 8 25.8 -1.0 .
1 290 PHE 7 20 42 15 35.7 -0.3 .
1 291 GLY 3 4 11 2 18.2 -1.5 >sigma
1 292 VAL 5 15 40 12 30.0 -0.7 .
1 293 HIS 6 16 28 13 46.4 0.5 .
1 294 VAL 5 22 46 18 39.1 -0.0 .
1 295 MET 6 11 28 10 35.7 -0.3 .
1 296 PRO 5 8 14 7 50.0 0.7 .
1 297 LEU 7 9 22 7 31.8 -0.5 .
1 298 THR 4 3 8 3 37.5 -0.1 .
1 299 ASN 6 2 4 2 50.0 0.7 .
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