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 |
|
|
634390 |
6f3k   |
27211 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6f3k
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 355
_NOE_completeness_stats.Total_atom_count 5544
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1909
_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 0.5
_NOE_completeness_stats.Constraint_unexpanded_count 476
_NOE_completeness_stats.Constraint_count 476
_NOE_completeness_stats.Constraint_exp_unfiltered_count 4971
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 367
_NOE_completeness_stats.Constraint_intraresidue_count 0
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 109
_NOE_completeness_stats.Constraint_expected_count 4971
_NOE_completeness_stats.Constraint_matched_count 27
_NOE_completeness_stats.Constraint_unmatched_count 82
_NOE_completeness_stats.Constraint_exp_nonobs_count 4944
_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 3 1518 0 0.0 -0.8 .
medium-range 13 947 3 0.3 -0.2 .
long-range 93 2506 24 1.0 1.0 .
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 48 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 2.00 2.50 384 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 2.50 3.00 811 1 0 0 0 0 0 0 0 0 . 1 0.1 0.1
shell 3.00 3.50 1394 10 0 0 0 0 0 0 0 0 . 10 0.7 0.4
shell 3.50 4.00 2334 16 0 0 0 0 0 0 0 0 . 16 0.7 0.5
shell 4.00 4.50 3682 16 0 0 0 0 0 0 0 0 . 16 0.4 0.5
shell 4.50 5.00 4963 16 0 0 0 0 0 0 0 0 . 16 0.3 0.4
shell 5.00 5.50 6215 7 0 0 0 0 0 0 0 0 . 7 0.1 0.3
shell 5.50 6.00 7286 8 0 0 0 0 0 0 0 0 . 8 0.1 0.3
shell 6.00 6.50 8154 12 0 0 0 0 0 0 0 0 . 12 0.1 0.2
shell 6.50 7.00 8954 9 0 0 0 0 0 0 0 0 . 9 0.1 0.2
shell 7.00 7.50 9950 9 0 0 0 0 0 0 0 0 . 9 0.1 0.2
shell 7.50 8.00 11313 3 0 0 0 0 0 0 0 0 . 3 0.0 0.2
shell 8.00 8.50 12010 2 0 0 0 0 0 0 0 0 . 2 0.0 0.1
shell 8.50 9.00 13058 0 0 0 0 0 0 0 0 0 . 0 0.0 0.1
sums . . 90556 109 0 0 0 0 0 0 0 0 . 109 . .
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 0 4 0 0.0 -0.3 .
1 2 GLU 5 0 26 0 0.0 -0.3 .
1 3 VAL 5 1 19 0 0.0 -0.3 .
1 4 ARG 7 0 20 0 0.0 -0.3 .
1 5 ASN 6 0 18 0 0.0 -0.3 .
1 6 MET 6 0 22 0 0.0 -0.3 .
1 7 VAL 5 4 28 0 0.0 -0.3 .
1 8 ASP 4 0 15 0 0.0 -0.3 .
1 9 TYR 6 0 20 0 0.0 -0.3 .
1 10 GLU 5 0 18 0 0.0 -0.3 .
1 11 LEU 7 0 33 0 0.0 -0.3 .
1 12 LEU 7 0 54 0 0.0 -0.3 .
1 13 LYS 7 0 39 0 0.0 -0.3 .
1 14 LYS 7 0 21 0 0.0 -0.3 .
1 15 VAL 5 4 37 0 0.0 -0.3 .
1 16 VAL 5 2 41 0 0.0 -0.3 .
1 17 GLU 5 0 16 0 0.0 -0.3 .
1 18 ALA 3 0 20 0 0.0 -0.3 .
1 19 PRO 5 0 35 0 0.0 -0.3 .
1 20 GLY 3 0 20 0 0.0 -0.3 .
1 21 VAL 5 2 35 0 0.0 -0.3 .
1 22 SER 4 0 23 0 0.0 -0.3 .
1 23 GLY 3 0 14 0 0.0 -0.3 .
1 24 TYR 6 0 38 0 0.0 -0.3 .
1 25 GLU 5 0 32 0 0.0 -0.3 .
1 26 PHE 7 0 57 0 0.0 -0.3 .
1 27 LEU 7 0 53 0 0.0 -0.3 .
1 28 GLY 3 0 18 0 0.0 -0.3 .
1 29 ILE 6 3 50 0 0.0 -0.3 .
1 30 ARG 7 0 43 0 0.0 -0.3 .
1 31 ASP 4 0 15 0 0.0 -0.3 .
1 32 VAL 5 2 31 0 0.0 -0.3 .
1 33 VAL 5 4 36 1 2.8 2.1 >sigma
1 34 ILE 6 2 39 1 2.6 1.9 >sigma
1 35 GLU 5 0 19 0 0.0 -0.3 .
1 36 GLU 5 0 20 0 0.0 -0.3 .
1 37 ILE 6 5 46 1 2.2 1.6 >sigma
1 38 LYS 7 0 24 0 0.0 -0.3 .
1 39 ASP 4 0 10 0 0.0 -0.3 .
1 40 TYR 6 0 23 0 0.0 -0.3 .
1 41 VAL 5 2 37 2 5.4 4.3 >sigma
1 42 ASP 4 0 11 0 0.0 -0.3 .
1 43 GLU 5 0 17 0 0.0 -0.3 .
1 44 VAL 5 2 38 1 2.6 2.0 >sigma
1 45 LYS 7 0 14 0 0.0 -0.3 .
1 46 VAL 5 2 18 1 5.6 4.5 >sigma
1 47 ASP 4 0 22 0 0.0 -0.3 .
1 48 LYS 7 0 10 0 0.0 -0.3 .
1 49 LEU 7 0 23 0 0.0 -0.3 .
1 50 GLY 3 0 14 0 0.0 -0.3 .
1 51 ASN 6 0 38 0 0.0 -0.3 .
1 52 VAL 5 3 26 0 0.0 -0.3 .
1 53 ILE 6 2 46 1 2.2 1.6 >sigma
1 54 ALA 3 0 29 0 0.0 -0.3 .
1 55 HIS 6 0 24 0 0.0 -0.3 .
1 56 LYS 7 0 36 0 0.0 -0.3 .
1 57 LYS 7 0 11 0 0.0 -0.3 .
1 58 GLY 3 0 11 0 0.0 -0.3 .
1 59 GLU 5 0 7 0 0.0 -0.3 .
1 60 GLY 3 0 10 0 0.0 -0.3 .
1 61 PRO 5 0 31 0 0.0 -0.3 .
1 62 LYS 7 0 29 0 0.0 -0.3 .
1 63 VAL 5 5 49 1 2.0 1.5 >sigma
1 64 MET 6 0 48 0 0.0 -0.3 .
1 65 ILE 6 5 56 1 1.8 1.2 >sigma
1 66 ALA 3 0 30 0 0.0 -0.3 .
1 67 ALA 3 0 26 0 0.0 -0.3 .
1 68 HIS 6 0 21 0 0.0 -0.3 .
1 69 MET 6 0 38 0 0.0 -0.3 .
1 70 ASP 4 0 26 0 0.0 -0.3 .
1 71 GLN 7 0 20 0 0.0 -0.3 .
1 72 ILE 6 0 39 0 0.0 -0.3 .
1 73 GLY 3 0 20 0 0.0 -0.3 .
1 74 LEU 7 0 46 0 0.0 -0.3 .
1 75 MET 6 0 46 0 0.0 -0.3 .
1 76 VAL 5 5 57 2 3.5 2.7 >sigma
1 77 THR 4 0 23 0 0.0 -0.3 .
1 78 HIS 6 0 18 0 0.0 -0.3 .
1 79 ILE 6 7 50 3 6.0 4.8 >sigma
1 80 GLU 5 0 21 0 0.0 -0.3 .
1 81 LYS 7 0 13 0 0.0 -0.3 .
1 82 ASN 6 0 19 0 0.0 -0.3 .
1 83 GLY 3 0 26 0 0.0 -0.3 .
1 84 PHE 7 0 29 0 0.0 -0.3 .
1 85 LEU 7 0 59 0 0.0 -0.3 .
1 86 ARG 7 0 29 0 0.0 -0.3 .
1 87 VAL 5 4 45 1 2.2 1.6 >sigma
1 88 ALA 3 0 22 0 0.0 -0.3 .
1 89 PRO 5 0 21 0 0.0 -0.3 .
1 90 ILE 6 2 39 0 0.0 -0.3 .
1 91 GLY 3 0 14 0 0.0 -0.3 .
1 92 GLY 3 0 8 0 0.0 -0.3 .
1 93 VAL 5 0 35 0 0.0 -0.3 .
1 94 ASP 4 0 16 0 0.0 -0.3 .
1 95 PRO 5 0 24 0 0.0 -0.3 .
1 96 LYS 7 0 25 0 0.0 -0.3 .
1 97 THR 4 0 14 0 0.0 -0.3 .
1 98 LEU 7 0 31 0 0.0 -0.3 .
1 99 ILE 6 4 34 0 0.0 -0.3 .
1 100 ALA 3 0 13 0 0.0 -0.3 .
1 101 GLN 7 0 16 0 0.0 -0.3 .
1 102 ARG 7 0 19 0 0.0 -0.3 .
1 103 PHE 7 0 46 0 0.0 -0.3 .
1 104 LYS 7 0 49 0 0.0 -0.3 .
1 105 VAL 5 7 53 3 5.7 4.5 >sigma
1 106 TRP 10 0 63 0 0.0 -0.3 .
1 107 ILE 6 1 44 1 2.3 1.7 >sigma
1 108 ASP 4 0 25 0 0.0 -0.3 .
1 109 LYS 7 0 20 0 0.0 -0.3 .
1 110 GLY 3 0 10 0 0.0 -0.3 .
1 111 LYS 7 0 26 0 0.0 -0.3 .
1 112 PHE 7 0 40 0 0.0 -0.3 .
1 113 ILE 6 8 46 4 8.7 7.1 >sigma
1 114 TYR 6 0 20 0 0.0 -0.3 .
1 115 GLY 3 0 14 0 0.0 -0.3 .
1 116 VAL 5 0 23 0 0.0 -0.3 .
1 117 GLY 3 0 22 0 0.0 -0.3 .
1 118 ALA 3 0 23 0 0.0 -0.3 .
1 119 SER 4 0 9 0 0.0 -0.3 .
1 120 VAL 5 3 32 0 0.0 -0.3 .
1 121 PRO 5 0 16 0 0.0 -0.3 .
1 122 PRO 5 0 7 0 0.0 -0.3 .
1 123 HIS 6 0 19 0 0.0 -0.3 .
1 124 ILE 6 1 12 0 0.0 -0.3 .
1 125 GLN 7 0 27 0 0.0 -0.3 .
1 126 LYS 7 0 13 0 0.0 -0.3 .
1 127 PRO 5 0 22 0 0.0 -0.3 .
1 128 GLU 5 0 30 0 0.0 -0.3 .
1 129 ASP 4 0 14 0 0.0 -0.3 .
1 130 ARG 7 0 14 0 0.0 -0.3 .
1 131 LYS 7 0 15 0 0.0 -0.3 .
1 132 LYS 7 0 6 0 0.0 -0.3 .
1 133 ALA 3 0 18 0 0.0 -0.3 .
1 134 PRO 5 0 35 0 0.0 -0.3 .
1 135 ASP 4 0 12 0 0.0 -0.3 .
1 136 TRP 10 0 11 0 0.0 -0.3 .
1 137 ASP 4 0 9 0 0.0 -0.3 .
1 138 GLN 7 0 36 0 0.0 -0.3 .
1 139 ILE 6 4 41 0 0.0 -0.3 .
1 140 PHE 7 0 39 0 0.0 -0.3 .
1 141 ILE 6 10 54 2 3.7 2.9 >sigma
1 142 ASP 4 0 20 0 0.0 -0.3 .
1 143 ILE 6 5 62 2 3.2 2.5 >sigma
1 144 GLY 3 0 11 0 0.0 -0.3 .
1 145 ALA 3 0 29 0 0.0 -0.3 .
1 146 GLU 5 0 9 0 0.0 -0.3 .
1 147 SER 4 0 24 0 0.0 -0.3 .
1 148 LYS 7 0 33 0 0.0 -0.3 .
1 149 GLU 5 0 18 0 0.0 -0.3 .
1 150 GLU 5 0 30 0 0.0 -0.3 .
1 151 ALA 3 0 36 0 0.0 -0.3 .
1 152 GLU 5 0 18 0 0.0 -0.3 .
1 153 ASP 4 0 12 0 0.0 -0.3 .
1 154 MET 6 0 36 0 0.0 -0.3 .
1 155 GLY 3 0 14 0 0.0 -0.3 .
1 156 VAL 5 6 58 4 6.9 5.6 >sigma
1 157 LYS 7 0 13 0 0.0 -0.3 .
1 158 ILE 6 1 22 1 4.5 3.6 >sigma
1 159 GLY 3 0 13 0 0.0 -0.3 .
1 160 THR 4 0 36 0 0.0 -0.3 .
1 161 VAL 5 2 50 0 0.0 -0.3 .
1 162 ILE 6 6 68 3 4.4 3.5 >sigma
1 163 THR 4 0 31 0 0.0 -0.3 .
1 164 TRP 10 0 14 0 0.0 -0.3 .
1 165 ASP 4 0 25 0 0.0 -0.3 .
1 166 GLY 3 0 7 0 0.0 -0.3 .
1 167 ARG 7 0 9 0 0.0 -0.3 .
1 168 LEU 7 0 56 0 0.0 -0.3 .
1 169 GLU 5 0 11 0 0.0 -0.3 .
1 170 ARG 7 0 9 0 0.0 -0.3 .
1 171 LEU 7 0 21 0 0.0 -0.3 .
1 172 GLY 3 0 12 0 0.0 -0.3 .
1 173 LYS 7 0 10 0 0.0 -0.3 .
1 174 HIS 6 0 11 0 0.0 -0.3 .
1 175 ARG 7 0 20 0 0.0 -0.3 .
1 176 PHE 7 0 32 0 0.0 -0.3 .
1 177 VAL 5 1 39 0 0.0 -0.3 .
1 178 SER 4 0 21 0 0.0 -0.3 .
1 179 ILE 6 1 32 0 0.0 -0.3 .
1 180 ALA 3 0 35 0 0.0 -0.3 .
1 181 PHE 7 0 60 0 0.0 -0.3 .
1 182 ASP 4 0 15 0 0.0 -0.3 .
1 183 ASP 4 0 9 0 0.0 -0.3 .
1 184 ARG 7 0 11 0 0.0 -0.3 .
1 185 ILE 6 4 48 3 6.3 5.0 >sigma
1 186 ALA 3 0 33 0 0.0 -0.3 .
1 187 VAL 5 3 40 1 2.5 1.8 >sigma
1 188 TYR 6 0 56 0 0.0 -0.3 .
1 189 THR 4 0 34 0 0.0 -0.3 .
1 190 ILE 6 4 46 0 0.0 -0.3 .
1 191 LEU 7 0 42 0 0.0 -0.3 .
1 192 GLU 5 0 27 0 0.0 -0.3 .
1 193 VAL 5 3 47 1 2.1 1.5 >sigma
1 194 ALA 3 0 30 0 0.0 -0.3 .
1 195 LYS 7 0 27 0 0.0 -0.3 .
1 196 GLN 7 0 15 0 0.0 -0.3 .
1 197 LEU 7 0 42 0 0.0 -0.3 .
1 198 LYS 7 0 10 0 0.0 -0.3 .
1 199 ASP 4 0 6 0 0.0 -0.3 .
1 200 ALA 3 0 17 0 0.0 -0.3 .
1 201 LYS 7 0 17 0 0.0 -0.3 .
1 202 ALA 3 0 23 0 0.0 -0.3 .
1 203 ASP 4 0 16 0 0.0 -0.3 .
1 204 VAL 5 5 46 1 2.2 1.6 >sigma
1 205 TYR 6 0 44 0 0.0 -0.3 .
1 206 PHE 7 0 58 0 0.0 -0.3 .
1 207 VAL 5 2 48 0 0.0 -0.3 .
1 208 ALA 3 0 25 0 0.0 -0.3 .
1 209 THR 4 0 28 0 0.0 -0.3 .
1 210 VAL 5 1 32 0 0.0 -0.3 .
1 211 GLN 7 0 27 0 0.0 -0.3 .
1 212 GLU 5 0 35 0 0.0 -0.3 .
1 213 GLU 5 0 15 0 0.0 -0.3 .
1 214 VAL 5 1 20 0 0.0 -0.3 .
1 215 GLY 3 0 15 0 0.0 -0.3 .
1 216 LEU 7 0 20 0 0.0 -0.3 .
1 217 ARG 7 0 24 0 0.0 -0.3 .
1 218 GLY 3 0 19 0 0.0 -0.3 .
1 219 ALA 3 0 28 0 0.0 -0.3 .
1 220 ARG 7 0 42 0 0.0 -0.3 .
1 221 THR 4 0 22 0 0.0 -0.3 .
1 222 SER 4 0 30 0 0.0 -0.3 .
1 223 ALA 3 0 36 0 0.0 -0.3 .
1 224 PHE 7 0 26 0 0.0 -0.3 .
1 225 GLY 3 0 13 0 0.0 -0.3 .
1 226 ILE 6 4 51 1 2.0 1.4 >sigma
1 227 GLU 5 0 42 0 0.0 -0.3 .
1 228 PRO 5 0 23 0 0.0 -0.3 .
1 229 ASP 4 0 23 0 0.0 -0.3 .
1 230 TYR 6 0 49 0 0.0 -0.3 .
1 231 GLY 3 0 24 0 0.0 -0.3 .
1 232 PHE 7 0 47 0 0.0 -0.3 .
1 233 ALA 3 0 27 0 0.0 -0.3 .
1 234 ILE 6 3 43 0 0.0 -0.3 .
1 235 ASP 4 0 19 0 0.0 -0.3 .
1 236 VAL 5 2 40 0 0.0 -0.3 .
1 237 THR 4 0 19 0 0.0 -0.3 .
1 238 ILE 6 3 65 0 0.0 -0.3 .
1 239 ALA 3 0 23 0 0.0 -0.3 .
1 240 ALA 3 0 24 0 0.0 -0.3 .
1 241 ASP 4 0 10 0 0.0 -0.3 .
1 242 ILE 6 1 17 0 0.0 -0.3 .
1 243 PRO 5 0 11 0 0.0 -0.3 .
1 244 GLY 3 0 6 0 0.0 -0.3 .
1 245 THR 4 0 25 0 0.0 -0.3 .
1 246 PRO 5 0 24 0 0.0 -0.3 .
1 247 GLU 5 0 14 0 0.0 -0.3 .
1 248 HIS 6 0 21 0 0.0 -0.3 .
1 249 LYS 7 0 34 0 0.0 -0.3 .
1 250 GLN 7 0 27 0 0.0 -0.3 .
1 251 VAL 5 1 17 0 0.0 -0.3 .
1 252 THR 4 0 25 0 0.0 -0.3 .
1 253 HIS 6 0 38 0 0.0 -0.3 .
1 254 LEU 7 0 26 0 0.0 -0.3 .
1 255 GLY 3 0 22 0 0.0 -0.3 .
1 256 LYS 7 0 23 0 0.0 -0.3 .
1 257 GLY 3 0 18 0 0.0 -0.3 .
1 258 THR 4 0 30 0 0.0 -0.3 .
1 259 ALA 3 0 29 0 0.0 -0.3 .
1 260 ILE 6 3 57 0 0.0 -0.3 .
1 261 LYS 7 0 37 0 0.0 -0.3 .
1 262 ILE 6 3 36 0 0.0 -0.3 .
1 263 MET 6 0 40 0 0.0 -0.3 .
1 264 ASP 4 0 26 0 0.0 -0.3 .
1 265 ARG 7 0 18 0 0.0 -0.3 .
1 266 SER 4 0 16 0 0.0 -0.3 .
1 267 VAL 5 3 45 0 0.0 -0.3 .
1 268 ILE 6 0 20 0 0.0 -0.3 .
1 269 CYS 4 0 19 0 0.0 -0.3 .
1 270 HIS 6 0 33 0 0.0 -0.3 .
1 271 PRO 5 0 17 0 0.0 -0.3 .
1 272 THR 4 0 24 0 0.0 -0.3 .
1 273 ILE 6 5 52 2 3.8 3.0 >sigma
1 274 VAL 5 6 41 0 0.0 -0.3 .
1 275 ARG 7 0 18 0 0.0 -0.3 .
1 276 TRP 10 0 62 0 0.0 -0.3 .
1 277 LEU 7 0 57 0 0.0 -0.3 .
1 278 GLU 5 0 26 0 0.0 -0.3 .
1 279 GLU 5 0 21 0 0.0 -0.3 .
1 280 LEU 7 0 63 0 0.0 -0.3 .
1 281 ALA 3 0 31 0 0.0 -0.3 .
1 282 LYS 7 0 21 0 0.0 -0.3 .
1 283 LYS 7 0 23 0 0.0 -0.3 .
1 284 HIS 6 0 33 0 0.0 -0.3 .
1 285 GLU 5 0 10 0 0.0 -0.3 .
1 286 ILE 6 1 45 0 0.0 -0.3 .
1 287 PRO 5 0 23 0 0.0 -0.3 .
1 288 TYR 6 0 36 0 0.0 -0.3 .
1 289 GLN 7 0 26 0 0.0 -0.3 .
1 290 LEU 7 0 31 0 0.0 -0.3 .
1 291 GLU 5 0 22 0 0.0 -0.3 .
1 292 ILE 6 2 23 0 0.0 -0.3 .
1 293 LEU 7 0 22 0 0.0 -0.3 .
1 294 LEU 7 0 7 0 0.0 -0.3 .
1 295 GLY 3 0 13 0 0.0 -0.3 .
1 296 GLY 3 0 8 0 0.0 -0.3 .
1 297 GLY 3 0 8 0 0.0 -0.3 .
1 298 THR 4 0 34 0 0.0 -0.3 .
1 299 ASP 4 0 22 0 0.0 -0.3 .
1 300 ALA 3 0 33 0 0.0 -0.3 .
1 301 GLY 3 0 24 0 0.0 -0.3 .
1 302 ALA 3 0 32 0 0.0 -0.3 .
1 303 ILE 6 2 58 0 0.0 -0.3 .
1 304 HIS 6 0 22 0 0.0 -0.3 .
1 305 LEU 7 0 22 0 0.0 -0.3 .
1 306 THR 4 0 27 0 0.0 -0.3 .
1 307 LYS 7 0 14 0 0.0 -0.3 .
1 308 ALA 3 0 20 0 0.0 -0.3 .
1 309 GLY 3 0 10 0 0.0 -0.3 .
1 310 VAL 5 1 30 0 0.0 -0.3 .
1 311 PRO 5 0 31 0 0.0 -0.3 .
1 312 THR 4 0 28 0 0.0 -0.3 .
1 313 GLY 3 0 19 0 0.0 -0.3 .
1 314 ALA 3 0 27 0 0.0 -0.3 .
1 315 LEU 7 0 52 0 0.0 -0.3 .
1 316 SER 4 0 21 0 0.0 -0.3 .
1 317 VAL 5 3 53 1 1.9 1.3 >sigma
1 318 PRO 5 0 47 0 0.0 -0.3 .
1 319 ALA 3 0 37 0 0.0 -0.3 .
1 320 ARG 7 0 57 0 0.0 -0.3 .
1 321 TYR 6 0 38 0 0.0 -0.3 .
1 322 ILE 6 1 21 0 0.0 -0.3 .
1 323 HIS 6 0 22 0 0.0 -0.3 .
1 324 SER 4 0 8 0 0.0 -0.3 .
1 325 ASN 6 0 10 0 0.0 -0.3 .
1 326 THR 4 0 18 0 0.0 -0.3 .
1 327 GLU 5 0 34 0 0.0 -0.3 .
1 328 VAL 5 1 33 0 0.0 -0.3 .
1 329 VAL 5 5 56 2 3.6 2.8 >sigma
1 330 ASP 4 0 22 0 0.0 -0.3 .
1 331 GLU 5 0 24 0 0.0 -0.3 .
1 332 ARG 7 0 16 0 0.0 -0.3 .
1 333 ASP 4 0 27 0 0.0 -0.3 .
1 334 VAL 5 2 44 2 4.5 3.6 >sigma
1 335 ASP 4 0 23 0 0.0 -0.3 .
1 336 ALA 3 0 23 0 0.0 -0.3 .
1 337 THR 4 0 35 0 0.0 -0.3 .
1 338 VAL 5 4 40 1 2.5 1.8 >sigma
1 339 GLU 5 0 23 0 0.0 -0.3 .
1 340 LEU 7 0 62 0 0.0 -0.3 .
1 341 MET 6 0 41 0 0.0 -0.3 .
1 342 THR 4 0 28 0 0.0 -0.3 .
1 343 LYS 7 0 35 0 0.0 -0.3 .
1 344 ALA 3 0 30 0 0.0 -0.3 .
1 345 LEU 7 0 46 0 0.0 -0.3 .
1 346 GLU 5 0 19 0 0.0 -0.3 .
1 347 ASN 6 0 33 0 0.0 -0.3 .
1 348 ILE 6 6 53 2 3.8 2.9 >sigma
1 349 HIS 6 0 34 0 0.0 -0.3 .
1 350 GLU 5 0 13 0 0.0 -0.3 .
1 351 LEU 7 0 38 0 0.0 -0.3 .
1 352 LYS 7 0 37 0 0.0 -0.3 .
1 353 ILE 6 5 25 1 4.0 3.1 >sigma
stop_
save_
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