NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
490546 |
2ks9   |
20115 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2ks9
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 5
_NOE_completeness_stats.Residue_count 375
_NOE_completeness_stats.Total_atom_count 6061
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 2083
_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 0.1
_NOE_completeness_stats.Constraint_unexpanded_count 36
_NOE_completeness_stats.Constraint_count 36
_NOE_completeness_stats.Constraint_exp_unfiltered_count 6982
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 0
_NOE_completeness_stats.Constraint_intraresidue_count 17
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 19
_NOE_completeness_stats.Constraint_expected_count 6982
_NOE_completeness_stats.Constraint_matched_count 8
_NOE_completeness_stats.Constraint_unmatched_count 11
_NOE_completeness_stats.Constraint_exp_nonobs_count 6974
_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 11 2237 6 0.3 1.3 >sigma
medium-range 8 2047 2 0.1 0.0 .
long-range 0 2686 0 0.0 -0.7 .
intermolecular 0 12 0 0.0 -0.7 .
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 2.00 355 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 2.00 2.50 682 5 0 0 0 0 2 0 3 0 . 0 0.7 0.5
shell 2.50 3.00 1326 0 0 0 0 0 0 0 0 0 . 0 0.0 0.2
shell 3.00 3.50 1695 0 0 0 0 0 0 0 0 0 . 0 0.0 0.1
shell 3.50 4.00 2924 3 0 0 0 0 1 0 1 0 . 1 0.1 0.1
shell 4.00 4.50 4194 4 0 0 0 0 1 0 3 0 . 0 0.1 0.1
shell 4.50 5.00 5312 2 0 0 0 0 0 0 1 0 . 1 0.0 0.1
shell 5.00 5.50 6493 2 0 0 0 0 0 0 2 0 . 0 0.0 0.1
shell 5.50 6.00 7629 0 0 0 0 0 0 0 0 0 . 0 0.0 0.1
shell 6.00 6.50 8429 1 0 0 0 0 1 0 0 0 . 0 0.0 0.0
shell 6.50 7.00 9595 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 7.00 7.50 10363 1 0 0 0 0 0 0 0 0 . 1 0.0 0.0
shell 7.50 8.00 11783 1 0 0 0 0 0 0 0 0 . 1 0.0 0.0
shell 8.00 8.50 12876 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 8.50 9.00 13837 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
sums . . 97493 19 0 0 0 0 5 0 10 0 . 4 . .
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 2 ASP 4 0 4 0 0.0 -0.1 .
1 3 ASN 6 0 19 0 0.0 -0.1 .
1 4 VAL 5 0 48 0 0.0 -0.1 .
1 5 LEU 7 0 27 0 0.0 -0.1 .
1 6 PRO 5 0 45 0 0.0 -0.1 .
1 7 VAL 5 0 44 0 0.0 -0.1 .
1 8 ASP 4 0 26 0 0.0 -0.1 .
1 9 SER 4 0 15 0 0.0 -0.1 .
1 10 ASP 4 0 28 0 0.0 -0.1 .
1 11 LEU 7 0 11 0 0.0 -0.1 .
1 12 SER 4 0 19 0 0.0 -0.1 .
1 13 PRO 5 0 9 0 0.0 -0.1 .
1 14 ASN 6 0 22 0 0.0 -0.1 .
1 15 ILE 6 0 58 0 0.0 -0.1 .
1 16 SER 4 0 16 0 0.0 -0.1 .
1 17 THR 4 0 20 0 0.0 -0.1 .
1 18 ASN 6 0 34 0 0.0 -0.1 .
1 19 THR 4 0 31 0 0.0 -0.1 .
1 20 SER 4 0 19 0 0.0 -0.1 .
1 21 GLU 5 0 25 0 0.0 -0.1 .
1 22 PRO 5 0 29 0 0.0 -0.1 .
1 23 ASN 6 0 43 0 0.0 -0.1 .
1 24 GLN 7 0 29 0 0.0 -0.1 .
1 25 PHE 7 0 47 0 0.0 -0.1 .
1 26 VAL 5 0 49 0 0.0 -0.1 .
1 27 GLN 7 0 53 0 0.0 -0.1 .
1 28 PRO 5 0 32 0 0.0 -0.1 .
1 29 ALA 3 0 22 0 0.0 -0.1 .
1 30 TRP 10 0 46 0 0.0 -0.1 .
1 31 GLN 7 0 59 0 0.0 -0.1 .
1 32 ILE 6 0 51 0 0.0 -0.1 .
1 33 VAL 5 0 33 0 0.0 -0.1 .
1 34 LEU 7 0 48 0 0.0 -0.1 .
1 35 TRP 10 0 57 0 0.0 -0.1 .
1 36 ALA 3 0 36 0 0.0 -0.1 .
1 37 ALA 3 0 22 0 0.0 -0.1 .
1 38 ALA 3 0 23 0 0.0 -0.1 .
1 39 TYR 6 0 69 0 0.0 -0.1 .
1 40 THR 4 0 27 0 0.0 -0.1 .
1 41 VAL 5 0 28 0 0.0 -0.1 .
1 42 ILE 6 0 53 0 0.0 -0.1 .
1 43 VAL 5 0 43 0 0.0 -0.1 .
1 44 VAL 5 0 26 0 0.0 -0.1 .
1 45 THR 4 0 31 0 0.0 -0.1 .
1 46 SER 4 0 30 0 0.0 -0.1 .
1 47 VAL 5 0 38 0 0.0 -0.1 .
1 48 VAL 5 0 29 0 0.0 -0.1 .
1 49 GLY 3 0 20 0 0.0 -0.1 .
1 50 ASN 6 0 45 0 0.0 -0.1 .
1 51 VAL 5 0 36 0 0.0 -0.1 .
1 52 VAL 5 0 41 0 0.0 -0.1 .
1 53 VAL 5 0 60 0 0.0 -0.1 .
1 54 MET 6 0 42 0 0.0 -0.1 .
1 55 TRP 10 0 40 0 0.0 -0.1 .
1 56 ILE 6 0 71 0 0.0 -0.1 .
1 57 ILE 6 0 73 0 0.0 -0.1 .
1 58 LEU 7 0 32 0 0.0 -0.1 .
1 59 ALA 3 0 24 0 0.0 -0.1 .
1 60 HIS 6 0 51 0 0.0 -0.1 .
1 61 LYS 7 0 48 0 0.0 -0.1 .
1 62 ARG 7 0 98 0 0.0 -0.1 .
1 63 MET 6 0 62 0 0.0 -0.1 .
1 64 ARG 7 0 39 0 0.0 -0.1 .
1 65 THR 4 0 24 0 0.0 -0.1 .
1 66 VAL 5 0 42 0 0.0 -0.1 .
1 67 THR 4 0 38 0 0.0 -0.1 .
1 68 ASN 6 0 52 0 0.0 -0.1 .
1 69 TYR 6 0 40 0 0.0 -0.1 .
1 70 PHE 7 0 62 0 0.0 -0.1 .
1 71 LEU 7 0 55 0 0.0 -0.1 .
1 72 VAL 5 0 45 0 0.0 -0.1 .
1 73 ASN 6 0 45 0 0.0 -0.1 .
1 74 LEU 7 0 47 0 0.0 -0.1 .
1 75 ALA 3 0 34 0 0.0 -0.1 .
1 76 PHE 7 0 26 0 0.0 -0.1 .
1 77 ALA 3 0 27 0 0.0 -0.1 .
1 78 GLU 5 0 34 0 0.0 -0.1 .
1 79 ALA 3 0 23 0 0.0 -0.1 .
1 80 SER 4 0 21 0 0.0 -0.1 .
1 81 MET 6 0 46 0 0.0 -0.1 .
1 82 ALA 3 0 35 0 0.0 -0.1 .
1 83 ALA 3 0 22 0 0.0 -0.1 .
1 84 PHE 7 0 25 0 0.0 -0.1 .
1 85 ASN 6 0 40 0 0.0 -0.1 .
1 86 THR 4 0 36 0 0.0 -0.1 .
1 87 VAL 5 0 29 0 0.0 -0.1 .
1 88 VAL 5 0 45 0 0.0 -0.1 .
1 89 ASN 6 0 42 0 0.0 -0.1 .
1 90 PHE 7 0 54 0 0.0 -0.1 .
1 91 THR 4 0 28 0 0.0 -0.1 .
1 92 TYR 6 0 68 0 0.0 -0.1 .
1 93 ALA 3 0 36 0 0.0 -0.1 .
1 94 VAL 5 0 33 0 0.0 -0.1 .
1 95 HIS 6 0 24 0 0.0 -0.1 .
1 96 ASN 6 0 38 0 0.0 -0.1 .
1 97 GLU 5 0 41 0 0.0 -0.1 .
1 98 TRP 10 0 87 0 0.0 -0.1 .
1 99 TYR 6 0 18 0 0.0 -0.1 .
1 100 TYR 6 0 45 0 0.0 -0.1 .
1 101 GLY 3 0 18 0 0.0 -0.1 .
1 102 LEU 7 0 19 0 0.0 -0.1 .
1 103 PHE 7 0 23 0 0.0 -0.1 .
1 104 TYR 6 0 47 0 0.0 -0.1 .
1 105 CYS 4 0 28 0 0.0 -0.1 .
1 106 LYS 7 0 35 0 0.0 -0.1 .
1 107 PHE 7 0 36 0 0.0 -0.1 .
1 108 HIS 6 0 42 0 0.0 -0.1 .
1 109 ASN 6 0 43 0 0.0 -0.1 .
1 110 PHE 7 0 52 0 0.0 -0.1 .
1 111 PHE 7 0 34 0 0.0 -0.1 .
1 112 PRO 5 0 36 0 0.0 -0.1 .
1 113 ILE 6 0 49 0 0.0 -0.1 .
1 114 ALA 3 0 34 0 0.0 -0.1 .
1 115 ALA 3 0 21 0 0.0 -0.1 .
1 116 VAL 5 0 44 0 0.0 -0.1 .
1 117 PHE 7 0 72 0 0.0 -0.1 .
1 118 ALA 3 0 34 0 0.0 -0.1 .
1 119 SER 4 0 24 0 0.0 -0.1 .
1 120 ILE 6 0 75 0 0.0 -0.1 .
1 121 TYR 6 0 50 0 0.0 -0.1 .
1 122 SER 4 0 32 0 0.0 -0.1 .
1 123 MET 6 0 55 0 0.0 -0.1 .
1 124 THR 4 0 42 0 0.0 -0.1 .
1 125 ALA 3 0 21 0 0.0 -0.1 .
1 126 VAL 5 0 40 0 0.0 -0.1 .
1 127 ALA 3 0 28 0 0.0 -0.1 .
1 128 PHE 7 0 28 0 0.0 -0.1 .
1 129 ASP 4 0 19 0 0.0 -0.1 .
1 130 ARG 7 0 58 0 0.0 -0.1 .
1 131 TYR 6 0 49 0 0.0 -0.1 .
1 132 MET 6 0 41 0 0.0 -0.1 .
1 133 ALA 3 0 18 0 0.0 -0.1 .
1 134 ILE 6 0 58 0 0.0 -0.1 .
1 135 ILE 6 0 43 0 0.0 -0.1 .
1 136 HIS 6 0 37 0 0.0 -0.1 .
1 137 PRO 5 0 11 0 0.0 -0.1 .
1 138 LEU 7 0 36 0 0.0 -0.1 .
1 139 GLN 7 0 27 0 0.0 -0.1 .
1 140 PRO 5 0 21 0 0.0 -0.1 .
1 141 ARG 7 0 29 0 0.0 -0.1 .
1 142 LEU 7 0 24 0 0.0 -0.1 .
1 143 SER 4 0 14 0 0.0 -0.1 .
1 144 ALA 3 0 19 0 0.0 -0.1 .
1 145 THR 4 0 25 0 0.0 -0.1 .
1 146 ALA 3 0 25 0 0.0 -0.1 .
1 147 THR 4 0 44 0 0.0 -0.1 .
1 148 LYS 7 0 40 0 0.0 -0.1 .
1 149 VAL 5 0 31 0 0.0 -0.1 .
1 150 VAL 5 0 43 0 0.0 -0.1 .
1 151 ILE 6 0 57 0 0.0 -0.1 .
1 152 CYS 4 0 20 0 0.0 -0.1 .
1 153 VAL 5 0 34 0 0.0 -0.1 .
1 154 ILE 6 0 60 0 0.0 -0.1 .
1 155 TRP 10 0 47 0 0.0 -0.1 .
1 156 VAL 5 0 32 0 0.0 -0.1 .
1 157 LEU 7 0 38 0 0.0 -0.1 .
1 158 ALA 3 0 34 0 0.0 -0.1 .
1 159 LEU 7 0 46 0 0.0 -0.1 .
1 160 LEU 7 0 32 0 0.0 -0.1 .
1 161 LEU 7 0 58 0 0.0 -0.1 .
1 162 ALA 3 0 36 0 0.0 -0.1 .
1 163 PHE 7 0 37 0 0.0 -0.1 .
1 164 PRO 5 0 28 0 0.0 -0.1 .
1 165 GLN 7 0 43 0 0.0 -0.1 .
1 166 GLY 3 0 18 0 0.0 -0.1 .
1 167 TYR 6 0 17 0 0.0 -0.1 .
1 168 TYR 6 0 11 0 0.0 -0.1 .
1 169 SER 4 0 23 0 0.0 -0.1 .
1 170 THR 4 0 53 0 0.0 -0.1 .
1 171 THR 4 0 26 0 0.0 -0.1 .
1 172 GLU 5 0 20 0 0.0 -0.1 .
1 173 THR 4 0 30 0 0.0 -0.1 .
1 174 MET 6 0 67 0 0.0 -0.1 .
1 175 PRO 5 0 64 0 0.0 -0.1 .
1 176 SER 4 0 43 0 0.0 -0.1 .
1 177 ARG 7 0 107 0 0.0 -0.1 .
1 178 VAL 5 0 62 0 0.0 -0.1 .
1 179 VAL 5 0 58 0 0.0 -0.1 .
1 180 CYS 4 0 28 0 0.0 -0.1 .
1 181 MET 6 0 58 0 0.0 -0.1 .
1 182 ILE 6 0 64 0 0.0 -0.1 .
1 183 GLU 5 0 46 0 0.0 -0.1 .
1 184 TRP 10 0 77 0 0.0 -0.1 .
1 185 PRO 5 0 22 0 0.0 -0.1 .
1 186 GLU 5 0 22 0 0.0 -0.1 .
1 187 HIS 6 0 17 0 0.0 -0.1 .
1 188 PRO 5 0 44 0 0.0 -0.1 .
1 189 ASN 6 0 15 0 0.0 -0.1 .
1 190 LYS 7 0 18 0 0.0 -0.1 .
1 191 ILE 6 0 52 0 0.0 -0.1 .
1 192 TYR 6 0 18 0 0.0 -0.1 .
1 193 GLU 5 0 53 0 0.0 -0.1 .
1 194 LYS 7 0 33 0 0.0 -0.1 .
1 195 VAL 5 0 26 0 0.0 -0.1 .
1 196 TYR 6 0 52 0 0.0 -0.1 .
1 197 HIS 6 0 50 0 0.0 -0.1 .
1 198 ILE 6 0 35 0 0.0 -0.1 .
1 199 CYS 4 0 23 0 0.0 -0.1 .
1 200 VAL 5 0 54 0 0.0 -0.1 .
1 201 THR 4 0 43 0 0.0 -0.1 .
1 202 VAL 5 0 40 0 0.0 -0.1 .
1 203 LEU 7 0 32 0 0.0 -0.1 .
1 204 ILE 6 0 77 0 0.0 -0.1 .
1 205 TYR 6 0 61 0 0.0 -0.1 .
1 206 PHE 7 0 53 0 0.0 -0.1 .
1 207 LEU 7 0 37 0 0.0 -0.1 .
1 208 PRO 5 0 50 0 0.0 -0.1 .
1 209 LEU 7 0 46 0 0.0 -0.1 .
1 210 LEU 7 0 30 0 0.0 -0.1 .
1 211 VAL 5 0 45 0 0.0 -0.1 .
1 212 ILE 6 0 69 0 0.0 -0.1 .
1 213 GLY 3 0 18 0 0.0 -0.1 .
1 214 TYR 6 0 25 0 0.0 -0.1 .
1 215 ALA 3 0 31 0 0.0 -0.1 .
1 216 TYR 6 0 30 0 0.0 -0.1 .
1 217 THR 4 0 23 0 0.0 -0.1 .
1 218 VAL 5 0 41 0 0.0 -0.1 .
1 219 VAL 5 0 47 0 0.0 -0.1 .
1 220 GLY 3 0 16 0 0.0 -0.1 .
1 221 ILE 6 0 15 0 0.0 -0.1 .
1 222 THR 4 0 25 0 0.0 -0.1 .
1 223 LEU 7 0 58 0 0.0 -0.1 .
1 224 TRP 10 0 17 0 0.0 -0.1 .
1 225 ALA 3 0 12 0 0.0 -0.1 .
1 226 SER 4 0 11 0 0.0 -0.1 .
1 227 GLU 5 0 35 0 0.0 -0.1 .
1 228 ILE 6 0 51 0 0.0 -0.1 .
1 229 PRO 5 0 17 0 0.0 -0.1 .
1 230 GLY 3 0 12 0 0.0 -0.1 .
1 231 ASP 4 0 19 0 0.0 -0.1 .
1 232 SER 4 0 9 0 0.0 -0.1 .
1 233 SER 4 0 21 0 0.0 -0.1 .
1 234 ASP 4 0 17 0 0.0 -0.1 .
1 235 ARG 7 0 89 0 0.0 -0.1 .
1 236 TYR 6 0 17 0 0.0 -0.1 .
1 237 HIS 6 0 28 0 0.0 -0.1 .
1 238 GLU 5 0 21 0 0.0 -0.1 .
1 239 GLN 7 0 36 0 0.0 -0.1 .
1 240 VAL 5 0 51 0 0.0 -0.1 .
1 241 SER 4 0 40 0 0.0 -0.1 .
1 242 ALA 3 0 23 0 0.0 -0.1 .
1 243 LYS 7 0 43 0 0.0 -0.1 .
1 244 ARG 7 0 90 0 0.0 -0.1 .
1 245 LYS 7 0 39 0 0.0 -0.1 .
1 246 VAL 5 0 36 0 0.0 -0.1 .
1 247 VAL 5 0 52 0 0.0 -0.1 .
1 248 LYS 7 0 44 0 0.0 -0.1 .
1 249 MET 6 0 64 0 0.0 -0.1 .
1 250 MET 6 0 51 0 0.0 -0.1 .
1 251 ILE 6 0 34 0 0.0 -0.1 .
1 252 VAL 5 0 42 0 0.0 -0.1 .
1 253 VAL 5 0 52 0 0.0 -0.1 .
1 254 VAL 5 0 41 0 0.0 -0.1 .
1 255 CYS 4 0 18 0 0.0 -0.1 .
1 256 THR 4 0 31 0 0.0 -0.1 .
1 257 PHE 7 0 61 0 0.0 -0.1 .
1 258 ALA 3 0 28 0 0.0 -0.1 .
1 259 ILE 6 0 24 0 0.0 -0.1 .
1 260 CYS 4 0 26 0 0.0 -0.1 .
1 261 TRP 10 0 61 0 0.0 -0.1 .
1 262 LEU 7 0 39 0 0.0 -0.1 .
1 263 PRO 5 0 40 0 0.0 -0.1 .
1 264 PHE 7 0 71 0 0.0 -0.1 .
1 265 HIS 6 0 41 0 0.0 -0.1 .
1 266 ILE 6 0 45 0 0.0 -0.1 .
1 267 PHE 7 0 58 0 0.0 -0.1 .
1 268 PHE 7 0 64 0 0.0 -0.1 .
1 269 LEU 7 0 57 0 0.0 -0.1 .
1 270 LEU 7 0 53 0 0.0 -0.1 .
1 271 PRO 5 0 38 0 0.0 -0.1 .
1 272 TYR 6 0 52 0 0.0 -0.1 .
1 273 ILE 6 0 35 0 0.0 -0.1 .
1 274 ASN 6 0 27 0 0.0 -0.1 .
1 275 PRO 5 0 19 0 0.0 -0.1 .
1 276 ASP 4 0 14 0 0.0 -0.1 .
1 277 LEU 7 0 24 0 0.0 -0.1 .
1 278 TYR 6 0 31 0 0.0 -0.1 .
1 279 LEU 7 0 52 0 0.0 -0.1 .
1 280 LYS 7 0 35 0 0.0 -0.1 .
1 281 LYS 7 0 40 0 0.0 -0.1 .
1 282 PHE 7 0 49 0 0.0 -0.1 .
1 283 ILE 6 0 51 0 0.0 -0.1 .
1 284 GLN 7 0 72 0 0.0 -0.1 .
1 285 GLN 7 0 50 0 0.0 -0.1 .
1 286 VAL 5 0 40 0 0.0 -0.1 .
1 287 TYR 6 0 64 0 0.0 -0.1 .
1 288 LEU 7 0 74 0 0.0 -0.1 .
1 289 ALA 3 0 24 0 0.0 -0.1 .
1 290 ILE 6 0 61 0 0.0 -0.1 .
1 291 MET 6 0 61 0 0.0 -0.1 .
1 292 TRP 10 0 78 0 0.0 -0.1 .
1 293 LEU 7 0 34 0 0.0 -0.1 .
1 294 ALA 3 0 33 0 0.0 -0.1 .
1 295 MET 6 0 47 0 0.0 -0.1 .
1 296 SER 4 0 21 0 0.0 -0.1 .
1 297 SER 4 0 26 0 0.0 -0.1 .
1 298 THR 4 0 39 0 0.0 -0.1 .
1 299 MET 6 0 32 0 0.0 -0.1 .
1 300 TYR 6 0 44 0 0.0 -0.1 .
1 301 ASN 6 0 45 0 0.0 -0.1 .
1 302 PRO 5 0 41 0 0.0 -0.1 .
1 303 ILE 6 0 30 0 0.0 -0.1 .
1 304 ILE 6 0 67 0 0.0 -0.1 .
1 305 TYR 6 0 59 0 0.0 -0.1 .
1 306 CYS 4 0 19 0 0.0 -0.1 .
1 307 CYS 4 0 14 0 0.0 -0.1 .
1 308 LEU 7 0 51 0 0.0 -0.1 .
1 309 ASN 6 0 31 0 0.0 -0.1 .
1 310 ASP 4 0 22 0 0.0 -0.1 .
1 311 ARG 7 0 65 0 0.0 -0.1 .
1 312 PHE 7 0 62 0 0.0 -0.1 .
1 313 ARG 7 0 47 0 0.0 -0.1 .
1 314 LEU 7 0 74 0 0.0 -0.1 .
1 315 GLY 3 0 26 0 0.0 -0.1 .
1 316 PHE 7 0 63 0 0.0 -0.1 .
1 317 LYS 7 0 51 0 0.0 -0.1 .
1 318 HIS 6 0 48 0 0.0 -0.1 .
1 319 ALA 3 0 28 0 0.0 -0.1 .
1 320 PHE 7 0 17 0 0.0 -0.1 .
1 321 ARG 7 0 34 0 0.0 -0.1 .
1 322 CYS 4 0 6 0 0.0 -0.1 .
1 323 CYS 4 0 20 0 0.0 -0.1 .
1 324 PRO 5 0 35 0 0.0 -0.1 .
1 325 PHE 7 0 32 0 0.0 -0.1 .
1 326 ILE 6 0 55 0 0.0 -0.1 .
1 327 SER 4 0 9 0 0.0 -0.1 .
1 328 ALA 3 0 13 0 0.0 -0.1 .
1 329 GLY 3 0 7 0 0.0 -0.1 .
1 330 ASP 4 0 24 0 0.0 -0.1 .
1 331 TYR 6 0 67 0 0.0 -0.1 .
1 332 GLU 5 0 11 0 0.0 -0.1 .
1 333 GLY 3 0 12 0 0.0 -0.1 .
1 334 LEU 7 0 45 0 0.0 -0.1 .
1 335 GLU 5 0 54 0 0.0 -0.1 .
1 336 MET 6 0 91 0 0.0 -0.1 .
1 337 LYS 7 0 72 0 0.0 -0.1 .
1 338 SER 4 0 34 0 0.0 -0.1 .
1 339 THR 4 0 21 0 0.0 -0.1 .
1 340 ARG 7 0 57 0 0.0 -0.1 .
1 341 TYR 6 0 86 0 0.0 -0.1 .
1 342 LEU 7 0 70 0 0.0 -0.1 .
1 343 GLN 7 0 29 0 0.0 -0.1 .
1 344 THR 4 0 24 0 0.0 -0.1 .
1 345 GLN 7 0 43 0 0.0 -0.1 .
1 346 GLY 3 0 29 0 0.0 -0.1 .
1 347 SER 4 0 39 0 0.0 -0.1 .
1 348 VAL 5 0 21 0 0.0 -0.1 .
1 349 TYR 6 0 26 0 0.0 -0.1 .
1 350 LYS 7 0 27 0 0.0 -0.1 .
1 351 VAL 5 0 54 0 0.0 -0.1 .
1 352 SER 4 0 25 0 0.0 -0.1 .
1 353 ARG 7 0 25 0 0.0 -0.1 .
1 354 LEU 7 0 36 0 0.0 -0.1 .
1 355 GLU 5 0 26 0 0.0 -0.1 .
1 356 THR 4 0 11 0 0.0 -0.1 .
1 357 THR 4 0 20 0 0.0 -0.1 .
1 358 ILE 6 0 28 0 0.0 -0.1 .
1 359 SER 4 0 25 0 0.0 -0.1 .
1 360 THR 4 0 33 0 0.0 -0.1 .
1 361 VAL 5 0 18 0 0.0 -0.1 .
1 362 VAL 5 0 30 0 0.0 -0.1 .
1 363 GLY 3 0 19 0 0.0 -0.1 .
1 364 ALA 3 0 7 0 0.0 -0.1 .
2 1 ARG 7 4 1 1 100.0 16.9 >sigma
2 2 PRO 5 5 5 1 20.0 3.3 >sigma
2 3 LYS 7 5 18 1 5.6 0.8 .
2 4 PRO 5 6 9 2 22.2 3.7 >sigma
2 5 GLN 7 3 6 1 16.7 2.7 >sigma
2 6 GLN 7 3 13 2 15.4 2.5 >sigma
2 7 PHE 7 3 9 2 22.2 3.7 >sigma
2 8 PHE 7 3 10 2 20.0 3.3 >sigma
2 9 GLY 3 2 12 1 8.3 1.3 >sigma
2 10 LEU 7 3 12 2 16.7 2.7 >sigma
2 11 MET 6 1 5 1 20.0 3.3 >sigma
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