NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
607184 | 5jtr | 30086 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_5jtr save_NOE_Completeness _NOE_completeness_stats.Sf_category NOE_completeness_statistics _NOE_completeness_stats.Model_count 20 _NOE_completeness_stats.Residue_count 780 _NOE_completeness_stats.Total_atom_count 12032 _NOE_completeness_stats.Observable_atom_definition ob_standard _NOE_completeness_stats.Observable_atom_count 4184 _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 9.3 _NOE_completeness_stats.Constraint_unexpanded_count 1617 _NOE_completeness_stats.Constraint_count 1617 _NOE_completeness_stats.Constraint_exp_unfiltered_count 9314 _NOE_completeness_stats.Constraint_exceptional_count 0 _NOE_completeness_stats.Constraint_nonobservable_count 0 _NOE_completeness_stats.Constraint_intraresidue_count 0 _NOE_completeness_stats.Constraint_surplus_count 0 _NOE_completeness_stats.Constraint_observed_count 1617 _NOE_completeness_stats.Constraint_expected_count 9314 _NOE_completeness_stats.Constraint_matched_count 867 _NOE_completeness_stats.Constraint_unmatched_count 750 _NOE_completeness_stats.Constraint_exp_nonobs_count 8447 _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 652 2945 336 11.4 0.7 . medium-range 355 1393 114 8.2 0.0 . long-range 568 3589 392 10.9 0.6 . intermolecular 42 1387 25 1.8 -1.3 >sigma 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 2.00 100 21 0 5 7 4 4 1 0 0 . 0 21.0 21.0 shell 2.00 2.50 1019 120 16 23 28 11 26 8 5 0 . 0 11.8 12.6 shell 2.50 3.00 1598 282 14 101 56 38 35 25 13 0 . 0 17.6 15.6 shell 3.00 3.50 2390 207 0 7 31 27 63 54 25 0 . 0 8.7 12.3 shell 3.50 4.00 4207 237 1 0 16 45 73 70 32 0 . 0 5.6 9.3 shell 4.00 4.50 6216 474 0 0 1 21 142 257 53 0 . 0 7.6 8.6 shell 4.50 5.00 9314 203 0 0 1 3 13 98 88 0 . 0 2.2 6.2 shell 5.00 5.50 11764 57 0 0 1 2 5 20 29 0 . 0 0.5 4.4 shell 5.50 6.00 14066 10 0 0 1 0 2 3 4 0 . 0 0.1 3.2 shell 6.00 6.50 15911 4 0 0 0 1 0 3 0 0 . 0 0.0 2.4 shell 6.50 7.00 18257 2 0 0 0 0 1 0 1 0 . 0 0.0 1.9 shell 7.00 7.50 19874 0 0 0 0 0 0 0 0 0 . 0 0.0 1.5 shell 7.50 8.00 22825 0 0 0 0 0 0 0 0 0 . 0 0.0 1.3 shell 8.00 8.50 25039 0 0 0 0 0 0 0 0 0 . 0 0.0 1.1 shell 8.50 9.00 27088 0 0 0 0 0 0 0 0 0 . 0 0.0 0.9 sums . . 179668 1617 31 136 142 152 364 539 250 0 . 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 MET 6 0 3 0 0.0 -0.9 . 1 2 SER 4 0 6 0 0.0 -0.9 . 1 3 GLU 5 0 5 0 0.0 -0.9 . 1 4 GLN 7 0 6 0 0.0 -0.9 . 1 5 ASN 6 0 7 0 0.0 -0.9 . 1 6 ASN 6 0 7 0 0.0 -0.9 . 1 7 THR 4 0 8 0 0.0 -0.9 . 1 8 GLU 5 0 9 0 0.0 -0.9 . 1 9 MET 6 2 18 0 0.0 -0.9 . 1 10 THR 4 3 11 1 9.1 0.2 . 1 11 PHE 7 11 34 4 11.8 0.5 . 1 12 GLN 7 5 16 2 12.5 0.6 . 1 13 ILE 6 9 43 5 11.6 0.5 . 1 14 GLN 7 7 26 4 15.4 0.9 . 1 15 ARG 7 5 48 2 4.2 -0.4 . 1 16 ILE 6 6 52 3 5.8 -0.2 . 1 17 TYR 6 7 51 4 7.8 0.0 . 1 18 THR 4 6 38 2 5.3 -0.3 . 1 19 LYS 7 6 59 2 3.4 -0.5 . 1 20 ASP 4 3 29 2 6.9 -0.1 . 1 21 ILE 6 8 60 5 8.3 0.1 . 1 22 SER 4 6 14 3 21.4 1.6 >sigma 1 23 PHE 7 10 71 6 8.5 0.1 . 1 24 GLU 5 5 22 2 9.1 0.2 . 1 25 ALA 3 4 29 3 10.3 0.3 . 1 26 PRO 5 0 18 0 0.0 -0.9 . 1 27 ASN 6 1 28 1 3.6 -0.5 . 1 28 ALA 3 8 25 5 20.0 1.4 >sigma 1 29 PRO 5 0 30 0 0.0 -0.9 . 1 30 HIS 6 5 24 1 4.2 -0.4 . 1 31 VAL 5 13 40 8 20.0 1.4 >sigma 1 32 PHE 7 6 25 5 20.0 1.4 >sigma 1 33 GLN 7 4 18 3 16.7 1.0 >sigma 1 34 LYS 7 4 39 2 5.1 -0.3 . 1 35 ASP 4 2 7 0 0.0 -0.9 . 1 36 TRP 10 13 51 11 21.6 1.6 >sigma 1 37 GLN 7 4 10 2 20.0 1.4 >sigma 1 38 PRO 5 0 28 0 0.0 -0.9 . 1 39 GLU 5 5 14 1 7.1 -0.1 . 1 40 VAL 5 7 23 4 17.4 1.1 >sigma 1 41 LYS 7 5 15 2 13.3 0.7 . 1 42 LEU 7 4 25 1 4.0 -0.4 . 1 43 ASP 4 4 14 1 7.1 -0.1 . 1 44 LEU 7 6 30 3 10.0 0.3 . 1 45 ASP 4 6 18 3 16.7 1.0 >sigma 1 46 THR 4 2 14 0 0.0 -0.9 . 1 47 ALA 3 6 15 4 26.7 2.2 >sigma 1 48 SER 4 4 14 1 7.1 -0.1 . 1 49 SER 4 5 12 2 16.7 1.0 >sigma 1 50 GLN 7 4 17 0 0.0 -0.9 . 1 51 LEU 7 7 45 5 11.1 0.4 . 1 52 ALA 3 8 19 6 31.6 2.8 >sigma 1 53 ASP 4 5 8 1 12.5 0.6 . 1 54 ASP 4 2 9 1 11.1 0.4 . 1 55 VAL 5 14 32 8 25.0 2.0 >sigma 1 56 TYR 6 9 26 5 19.2 1.3 >sigma 1 57 GLU 5 8 44 4 9.1 0.2 . 1 58 VAL 5 10 45 7 15.6 0.9 . 1 59 VAL 5 13 40 6 15.0 0.8 . 1 60 LEU 7 13 64 9 14.1 0.7 . 1 61 ARG 7 5 38 2 5.3 -0.3 . 1 62 VAL 5 14 39 11 28.2 2.4 >sigma 1 63 THR 4 4 28 2 7.1 -0.1 . 1 64 VAL 5 12 45 8 17.8 1.2 >sigma 1 65 THR 4 5 26 2 7.7 -0.0 . 1 66 ALA 3 14 30 7 23.3 1.8 >sigma 1 67 SER 4 6 19 2 10.5 0.3 . 1 68 LEU 7 18 57 13 22.8 1.8 >sigma 1 69 GLY 3 5 6 1 16.7 1.0 >sigma 1 70 GLU 5 2 8 1 12.5 0.6 . 1 71 GLU 5 4 26 2 7.7 -0.0 . 1 72 THR 4 3 23 0 0.0 -0.9 . 1 73 ALA 3 15 31 12 38.7 3.6 >sigma 1 74 PHE 7 17 58 14 24.1 1.9 >sigma 1 75 LEU 7 6 36 4 11.1 0.4 . 1 76 CYS 4 6 36 2 5.6 -0.3 . 1 77 GLU 5 6 27 3 11.1 0.4 . 1 78 VAL 5 13 58 8 13.8 0.7 . 1 79 GLN 7 7 40 3 7.5 -0.0 . 1 80 GLN 7 8 61 6 9.8 0.2 . 1 81 GLY 3 7 26 3 11.5 0.4 . 1 82 GLY 3 7 25 2 8.0 0.0 . 1 83 ILE 6 8 58 2 3.4 -0.5 . 1 84 PHE 7 16 61 9 14.8 0.8 . 1 85 SER 4 5 14 2 14.3 0.8 . 1 86 ILE 6 7 30 4 13.3 0.7 . 1 87 ALA 3 7 21 4 19.0 1.3 >sigma 1 88 GLY 3 4 15 3 20.0 1.4 >sigma 1 89 ILE 6 7 40 5 12.5 0.6 . 1 90 GLU 5 3 14 1 7.1 -0.1 . 1 91 GLY 3 3 8 0 0.0 -0.9 . 1 92 THR 4 4 9 1 11.1 0.4 . 1 93 GLN 7 4 19 3 15.8 0.9 . 1 94 MET 6 10 37 7 18.9 1.3 >sigma 1 95 ALA 3 8 16 4 25.0 2.0 >sigma 1 96 HIS 6 7 16 4 25.0 2.0 >sigma 1 97 CYS 4 7 17 3 17.6 1.2 >sigma 1 98 LEU 7 11 26 4 15.4 0.9 . 1 99 GLY 3 8 12 3 25.0 2.0 >sigma 1 100 ALA 3 7 24 4 16.7 1.0 >sigma 1 101 TYR 6 11 29 8 27.6 2.3 >sigma 1 102 CYS 4 5 31 3 9.7 0.2 . 1 103 PRO 5 0 36 0 0.0 -0.9 . 1 104 ASN 6 0 18 0 0.0 -0.9 . 1 105 ILE 6 1 49 1 2.0 -0.7 . 1 106 LEU 7 0 71 0 0.0 -0.9 . 1 107 PHE 7 0 42 0 0.0 -0.9 . 1 108 PRO 5 0 40 0 0.0 -0.9 . 1 109 TYR 6 6 56 4 7.1 -0.1 . 1 110 ALA 3 9 40 7 17.5 1.1 >sigma 1 111 ARG 7 5 60 4 6.7 -0.1 . 1 112 GLU 5 6 38 2 5.3 -0.3 . 1 113 CYS 4 5 31 2 6.5 -0.2 . 1 114 ILE 6 10 58 6 10.3 0.3 . 1 115 THR 4 5 31 2 6.5 -0.2 . 1 116 SER 4 5 20 2 10.0 0.3 . 1 117 MET 6 10 54 6 11.1 0.4 . 1 118 VAL 5 12 49 9 18.4 1.2 >sigma 1 119 SER 4 6 19 3 15.8 0.9 . 1 120 ARG 7 0 44 0 0.0 -0.9 . 1 121 GLY 3 6 25 2 8.0 0.0 . 1 122 THR 4 3 24 2 8.3 0.1 . 1 123 PHE 7 12 50 11 22.0 1.7 >sigma 1 124 PRO 5 0 17 0 0.0 -0.9 . 1 125 GLN 7 1 35 0 0.0 -0.9 . 1 126 LEU 7 10 31 5 16.1 1.0 . 1 127 ASN 6 3 28 1 3.6 -0.5 . 1 128 LEU 7 9 38 6 15.8 0.9 . 1 129 ALA 3 3 24 2 8.3 0.1 . 1 130 PRO 5 0 33 0 0.0 -0.9 . 1 131 VAL 5 3 18 1 5.6 -0.3 . 1 132 ASN 6 0 17 0 0.0 -0.9 . 1 133 PHE 7 7 15 2 13.3 0.7 . 1 134 ASP 4 5 14 2 14.3 0.8 . 1 135 ALA 3 5 20 3 15.0 0.8 . 1 136 LEU 7 7 22 3 13.6 0.7 . 1 137 PHE 7 8 25 4 16.0 1.0 . 1 138 MET 6 7 19 3 15.8 0.9 . 1 139 ASN 6 5 17 2 11.8 0.5 . 1 140 TYR 6 5 13 3 23.1 1.8 >sigma 1 141 LEU 7 6 21 3 14.3 0.8 . 1 142 GLN 7 0 9 0 0.0 -0.9 . 1 143 GLN 7 0 12 0 0.0 -0.9 . 1 144 GLN 7 0 8 0 0.0 -0.9 . 1 145 ALA 3 0 7 0 0.0 -0.9 . 1 146 GLY 3 0 5 0 0.0 -0.9 . 1 147 GLU 5 0 6 0 0.0 -0.9 . 1 148 GLY 3 0 6 0 0.0 -0.9 . 1 149 THR 4 0 6 0 0.0 -0.9 . 1 150 GLU 5 0 6 0 0.0 -0.9 . 1 151 GLU 5 0 8 0 0.0 -0.9 . 1 152 HIS 6 0 9 0 0.0 -0.9 . 1 153 GLN 7 0 9 0 0.0 -0.9 . 1 154 ASP 4 0 9 0 0.0 -0.9 . 1 155 ALA 3 0 4 0 0.0 -0.9 . 2 1 MET 6 0 3 0 0.0 -0.9 . 2 2 SER 4 0 5 0 0.0 -0.9 . 2 3 GLU 5 0 6 0 0.0 -0.9 . 2 4 GLN 7 0 8 0 0.0 -0.9 . 2 5 ASN 6 0 7 0 0.0 -0.9 . 2 6 ASN 6 0 5 0 0.0 -0.9 . 2 7 THR 4 0 5 0 0.0 -0.9 . 2 8 GLU 5 0 8 0 0.0 -0.9 . 2 9 MET 6 5 36 3 8.3 0.1 . 2 10 THR 4 5 15 2 13.3 0.7 . 2 11 PHE 7 11 37 7 18.9 1.3 >sigma 2 12 GLN 7 5 15 2 13.3 0.7 . 2 13 ILE 6 9 47 4 8.5 0.1 . 2 14 GLN 7 7 35 2 5.7 -0.2 . 2 15 ARG 7 5 56 2 3.6 -0.5 . 2 16 ILE 6 5 59 3 5.1 -0.3 . 2 17 TYR 6 8 52 5 9.6 0.2 . 2 18 THR 4 5 35 0 0.0 -0.9 . 2 19 LYS 7 4 62 2 3.2 -0.5 . 2 20 ASP 4 5 34 3 8.8 0.1 . 2 21 ILE 6 9 62 7 11.3 0.4 . 2 22 SER 4 6 15 2 13.3 0.7 . 2 23 PHE 7 11 68 7 10.3 0.3 . 2 24 GLU 5 6 19 3 15.8 0.9 . 2 25 ALA 3 6 30 4 13.3 0.7 . 2 26 PRO 5 0 24 0 0.0 -0.9 . 2 27 ASN 6 2 33 2 6.1 -0.2 . 2 28 ALA 3 6 24 4 16.7 1.0 >sigma 2 29 PRO 5 0 36 0 0.0 -0.9 . 2 30 HIS 6 3 24 1 4.2 -0.4 . 2 31 VAL 5 6 35 4 11.4 0.4 . 2 32 PHE 7 6 17 5 29.4 2.5 >sigma 2 33 GLN 7 4 17 3 17.6 1.2 >sigma 2 34 LYS 7 3 37 3 8.1 0.0 . 2 35 ASP 4 2 4 2 50.0 4.9 >sigma 2 36 TRP 10 5 9 2 22.2 1.7 >sigma 2 37 GLN 7 2 16 0 0.0 -0.9 . 2 38 PRO 5 0 51 0 0.0 -0.9 . 2 39 GLU 5 2 9 1 11.1 0.4 . 2 40 VAL 5 8 36 6 16.7 1.0 >sigma 2 41 LYS 7 7 17 4 23.5 1.8 >sigma 2 42 LEU 7 12 45 5 11.1 0.4 . 2 43 ASP 4 8 11 3 27.3 2.3 >sigma 2 44 LEU 7 8 28 4 14.3 0.8 . 2 45 ASP 4 7 19 4 21.1 1.6 >sigma 2 46 THR 4 3 13 0 0.0 -0.9 . 2 47 ALA 3 6 14 4 28.6 2.4 >sigma 2 48 SER 4 4 17 1 5.9 -0.2 . 2 49 SER 4 6 10 1 10.0 0.3 . 2 50 GLN 7 3 22 0 0.0 -0.9 . 2 51 LEU 7 9 44 5 11.4 0.4 . 2 52 ALA 3 8 19 6 31.6 2.8 >sigma 2 53 ASP 4 4 8 1 12.5 0.6 . 2 54 ASP 4 2 11 1 9.1 0.2 . 2 55 VAL 5 12 35 8 22.9 1.8 >sigma 2 56 TYR 6 13 28 5 17.9 1.2 >sigma 2 57 GLU 5 7 43 3 7.0 -0.1 . 2 58 VAL 5 11 48 7 14.6 0.8 . 2 59 VAL 5 13 42 6 14.3 0.8 . 2 60 LEU 7 15 62 9 14.5 0.8 . 2 61 ARG 7 7 34 3 8.8 0.1 . 2 62 VAL 5 16 49 12 24.5 2.0 >sigma 2 63 THR 4 5 20 2 10.0 0.3 . 2 64 VAL 5 16 50 12 24.0 1.9 >sigma 2 65 THR 4 8 19 2 10.5 0.3 . 2 66 ALA 3 13 27 10 37.0 3.4 >sigma 2 67 SER 4 7 20 3 15.0 0.8 . 2 68 LEU 7 9 66 6 9.1 0.2 . 2 69 GLY 3 4 9 1 11.1 0.4 . 2 70 GLU 5 2 5 1 20.0 1.4 >sigma 2 71 GLU 5 4 20 2 10.0 0.3 . 2 72 THR 4 2 26 0 0.0 -0.9 . 2 73 ALA 3 12 35 9 25.7 2.1 >sigma 2 74 PHE 7 18 67 15 22.4 1.7 >sigma 2 75 LEU 7 8 28 4 14.3 0.8 . 2 76 CYS 4 7 33 3 9.1 0.2 . 2 77 GLU 5 6 32 2 6.3 -0.2 . 2 78 VAL 5 15 59 11 18.6 1.3 >sigma 2 79 GLN 7 8 42 5 11.9 0.5 . 2 80 GLN 7 8 60 5 8.3 0.1 . 2 81 GLY 3 7 24 3 12.5 0.6 . 2 82 GLY 3 7 26 2 7.7 -0.0 . 2 83 ILE 6 9 63 4 6.3 -0.2 . 2 84 PHE 7 15 59 7 11.9 0.5 . 2 85 SER 4 5 24 1 4.2 -0.4 . 2 86 ILE 6 7 33 3 9.1 0.2 . 2 87 ALA 3 5 19 2 10.5 0.3 . 2 88 GLY 3 3 15 2 13.3 0.7 . 2 89 ILE 6 7 50 1 2.0 -0.7 . 2 90 GLU 5 4 16 1 6.3 -0.2 . 2 91 GLY 3 3 9 0 0.0 -0.9 . 2 92 THR 4 3 13 1 7.7 -0.0 . 2 93 GLN 7 4 25 2 8.0 0.0 . 2 94 MET 6 12 42 6 14.3 0.8 . 2 95 ALA 3 6 15 3 20.0 1.4 >sigma 2 96 HIS 6 7 14 4 28.6 2.4 >sigma 2 97 CYS 4 7 20 3 15.0 0.8 . 2 98 LEU 7 11 29 4 13.8 0.7 . 2 99 GLY 3 7 13 3 23.1 1.8 >sigma 2 100 ALA 3 8 24 5 20.8 1.5 >sigma 2 101 TYR 6 10 30 7 23.3 1.8 >sigma 2 102 CYS 4 5 33 3 9.1 0.2 . 2 103 PRO 5 0 37 0 0.0 -0.9 . 2 104 ASN 6 0 18 0 0.0 -0.9 . 2 105 ILE 6 3 65 3 4.6 -0.4 . 2 106 LEU 7 0 70 0 0.0 -0.9 . 2 107 PHE 7 0 45 0 0.0 -0.9 . 2 108 PRO 5 0 50 0 0.0 -0.9 . 2 109 TYR 6 5 52 4 7.7 -0.0 . 2 110 ALA 3 11 41 9 22.0 1.7 >sigma 2 111 ARG 7 5 45 3 6.7 -0.1 . 2 112 GLU 5 4 29 2 6.9 -0.1 . 2 113 CYS 4 6 31 2 6.5 -0.2 . 2 114 ILE 6 13 53 8 15.1 0.9 . 2 115 THR 4 5 31 2 6.5 -0.2 . 2 116 SER 4 6 28 2 7.1 -0.1 . 2 117 MET 6 7 53 3 5.7 -0.2 . 2 118 VAL 5 11 48 8 16.7 1.0 >sigma 2 119 SER 4 6 26 2 7.7 -0.0 . 2 120 ARG 7 0 60 0 0.0 -0.9 . 2 121 GLY 3 4 27 3 11.1 0.4 . 2 122 THR 4 3 23 2 8.7 0.1 . 2 123 PHE 7 10 54 8 14.8 0.8 . 2 124 PRO 5 0 31 0 0.0 -0.9 . 2 125 GLN 7 2 18 0 0.0 -0.9 . 2 126 LEU 7 10 27 4 14.8 0.8 . 2 127 ASN 6 2 13 1 7.7 -0.0 . 2 128 LEU 7 8 45 5 11.1 0.4 . 2 129 ALA 3 4 19 2 10.5 0.3 . 2 130 PRO 5 0 29 0 0.0 -0.9 . 2 131 VAL 5 4 10 0 0.0 -0.9 . 2 132 ASN 6 0 21 0 0.0 -0.9 . 2 133 PHE 7 8 13 2 15.4 0.9 . 2 134 ASP 4 5 13 2 15.4 0.9 . 2 135 ALA 3 7 21 3 14.3 0.8 . 2 136 LEU 7 11 17 4 23.5 1.8 >sigma 2 137 PHE 7 9 25 4 16.0 1.0 . 2 138 MET 6 8 15 3 20.0 1.4 >sigma 2 139 ASN 6 5 11 2 18.2 1.2 >sigma 2 140 TYR 6 6 18 2 11.1 0.4 . 2 141 LEU 7 4 15 1 6.7 -0.1 . 2 142 GLN 7 0 11 0 0.0 -0.9 . 2 143 GLN 7 0 10 0 0.0 -0.9 . 2 144 GLN 7 0 10 0 0.0 -0.9 . 2 145 ALA 3 0 8 0 0.0 -0.9 . 2 146 GLY 3 0 6 0 0.0 -0.9 . 2 147 GLU 5 0 8 0 0.0 -0.9 . 2 148 GLY 3 0 8 0 0.0 -0.9 . 2 149 THR 4 0 7 0 0.0 -0.9 . 2 150 GLU 5 0 7 0 0.0 -0.9 . 2 151 GLU 5 0 7 0 0.0 -0.9 . 2 152 HIS 6 0 7 0 0.0 -0.9 . 2 153 GLN 7 0 7 0 0.0 -0.9 . 2 154 ASP 4 0 7 0 0.0 -0.9 . 2 155 ALA 3 0 3 0 0.0 -0.9 . 3 1 MET 6 0 2 0 0.0 -0.9 . 3 2 SER 4 0 6 0 0.0 -0.9 . 3 3 GLU 5 0 9 0 0.0 -0.9 . 3 4 GLN 7 0 9 0 0.0 -0.9 . 3 5 ASN 6 0 8 0 0.0 -0.9 . 3 6 ASN 6 0 8 0 0.0 -0.9 . 3 7 THR 4 0 8 0 0.0 -0.9 . 3 8 GLU 5 0 9 0 0.0 -0.9 . 3 9 MET 6 2 20 1 5.0 -0.3 . 3 10 THR 4 4 12 2 16.7 1.0 >sigma 3 11 PHE 7 7 33 4 12.1 0.5 . 3 12 GLN 7 5 26 2 7.7 -0.0 . 3 13 ILE 6 9 50 6 12.0 0.5 . 3 14 GLN 7 6 40 2 5.0 -0.3 . 3 15 ARG 7 4 58 3 5.2 -0.3 . 3 16 ILE 6 5 59 3 5.1 -0.3 . 3 17 TYR 6 8 53 6 11.3 0.4 . 3 18 THR 4 5 36 1 2.8 -0.6 . 3 19 LYS 7 6 59 2 3.4 -0.5 . 3 20 ASP 4 4 30 2 6.7 -0.1 . 3 21 ILE 6 7 55 4 7.3 -0.1 . 3 22 SER 4 6 17 2 11.8 0.5 . 3 23 PHE 7 10 65 7 10.8 0.4 . 3 24 GLU 5 6 24 4 16.7 1.0 >sigma 3 25 ALA 3 4 28 3 10.7 0.3 . 3 26 PRO 5 0 16 0 0.0 -0.9 . 3 27 ASN 6 1 24 1 4.2 -0.4 . 3 28 ALA 3 7 24 5 20.8 1.5 >sigma 3 29 PRO 5 0 31 0 0.0 -0.9 . 3 30 HIS 6 3 19 1 5.3 -0.3 . 3 31 VAL 5 9 35 5 14.3 0.8 . 3 32 PHE 7 6 22 4 18.2 1.2 >sigma 3 33 GLN 7 4 9 3 33.3 3.0 >sigma 3 34 LYS 7 5 36 1 2.8 -0.6 . 3 35 ASP 4 2 7 0 0.0 -0.9 . 3 36 TRP 10 4 12 1 8.3 0.1 . 3 37 GLN 7 2 11 2 18.2 1.2 >sigma 3 38 PRO 5 0 29 0 0.0 -0.9 . 3 39 GLU 5 4 12 1 8.3 0.1 . 3 40 VAL 5 6 27 4 14.8 0.8 . 3 41 LYS 7 7 12 3 25.0 2.0 >sigma 3 42 LEU 7 5 28 2 7.1 -0.1 . 3 43 ASP 4 7 16 4 25.0 2.0 >sigma 3 44 LEU 7 5 30 2 6.7 -0.1 . 3 45 ASP 4 6 15 3 20.0 1.4 >sigma 3 46 THR 4 3 11 0 0.0 -0.9 . 3 47 ALA 3 7 15 5 33.3 3.0 >sigma 3 48 SER 4 4 17 1 5.9 -0.2 . 3 49 SER 4 4 10 1 10.0 0.3 . 3 50 GLN 7 3 16 0 0.0 -0.9 . 3 51 LEU 7 8 44 6 13.6 0.7 . 3 52 ALA 3 8 18 6 33.3 3.0 >sigma 3 53 ASP 4 5 7 1 14.3 0.8 . 3 54 ASP 4 2 11 1 9.1 0.2 . 3 55 VAL 5 16 35 8 22.9 1.8 >sigma 3 56 TYR 6 11 24 5 20.8 1.5 >sigma 3 57 GLU 5 7 41 4 9.8 0.2 . 3 58 VAL 5 9 45 6 13.3 0.7 . 3 59 VAL 5 15 39 7 17.9 1.2 >sigma 3 60 LEU 7 11 55 6 10.9 0.4 . 3 61 ARG 7 6 30 3 10.0 0.3 . 3 62 VAL 5 11 39 7 17.9 1.2 >sigma 3 63 THR 4 4 25 2 8.0 0.0 . 3 64 VAL 5 14 54 10 18.5 1.3 >sigma 3 65 THR 4 7 23 3 13.0 0.6 . 3 66 ALA 3 11 29 8 27.6 2.3 >sigma 3 67 SER 4 7 18 2 11.1 0.4 . 3 68 LEU 7 13 49 8 16.3 1.0 . 3 69 GLY 3 5 8 1 12.5 0.6 . 3 70 GLU 5 3 8 1 12.5 0.6 . 3 71 GLU 5 4 25 1 4.0 -0.4 . 3 72 THR 4 3 22 0 0.0 -0.9 . 3 73 ALA 3 14 31 11 35.5 3.2 >sigma 3 74 PHE 7 15 61 14 23.0 1.8 >sigma 3 75 LEU 7 11 38 9 23.7 1.9 >sigma 3 76 CYS 4 5 35 3 8.6 0.1 . 3 77 GLU 5 7 29 3 10.3 0.3 . 3 78 VAL 5 15 57 10 17.5 1.1 >sigma 3 79 GLN 7 7 38 2 5.3 -0.3 . 3 80 GLN 7 8 53 4 7.5 -0.0 . 3 81 GLY 3 9 26 3 11.5 0.4 . 3 82 GLY 3 6 27 2 7.4 -0.0 . 3 83 ILE 6 8 61 4 6.6 -0.1 . 3 84 PHE 7 13 59 7 11.9 0.5 . 3 85 SER 4 5 23 1 4.3 -0.4 . 3 86 ILE 6 8 30 5 16.7 1.0 >sigma 3 87 ALA 3 6 21 3 14.3 0.8 . 3 88 GLY 3 4 11 2 18.2 1.2 >sigma 3 89 ILE 6 9 46 3 6.5 -0.1 . 3 90 GLU 5 5 17 1 5.9 -0.2 . 3 91 GLY 3 3 8 0 0.0 -0.9 . 3 92 THR 4 3 8 1 12.5 0.6 . 3 93 GLN 7 4 22 2 9.1 0.2 . 3 94 MET 6 12 38 5 13.2 0.6 . 3 95 ALA 3 4 17 4 23.5 1.8 >sigma 3 96 HIS 6 6 14 3 21.4 1.6 >sigma 3 97 CYS 4 5 20 4 20.0 1.4 >sigma 3 98 LEU 7 6 25 3 12.0 0.5 . 3 99 GLY 3 5 13 3 23.1 1.8 >sigma 3 100 ALA 3 5 23 4 17.4 1.1 >sigma 3 101 TYR 6 7 29 6 20.7 1.5 >sigma 3 102 CYS 4 4 31 3 9.7 0.2 . 3 103 PRO 5 0 41 0 0.0 -0.9 . 3 104 ASN 6 0 18 0 0.0 -0.9 . 3 105 ILE 6 1 59 1 1.7 -0.7 . 3 106 LEU 7 0 71 0 0.0 -0.9 . 3 107 PHE 7 0 41 0 0.0 -0.9 . 3 108 PRO 5 0 48 0 0.0 -0.9 . 3 109 TYR 6 6 54 3 5.6 -0.3 . 3 110 ALA 3 9 40 6 15.0 0.8 . 3 111 ARG 7 5 44 3 6.8 -0.1 . 3 112 GLU 5 5 28 2 7.1 -0.1 . 3 113 CYS 4 5 30 2 6.7 -0.1 . 3 114 ILE 6 11 55 8 14.5 0.8 . 3 115 THR 4 7 34 2 5.9 -0.2 . 3 116 SER 4 5 26 2 7.7 -0.0 . 3 117 MET 6 7 56 4 7.1 -0.1 . 3 118 VAL 5 10 55 8 14.5 0.8 . 3 119 SER 4 6 19 2 10.5 0.3 . 3 120 ARG 7 0 64 0 0.0 -0.9 . 3 121 GLY 3 5 24 3 12.5 0.6 . 3 122 THR 4 3 28 2 7.1 -0.1 . 3 123 PHE 7 10 48 9 18.8 1.3 >sigma 3 124 PRO 5 0 19 0 0.0 -0.9 . 3 125 GLN 7 2 27 0 0.0 -0.9 . 3 126 LEU 7 10 42 7 16.7 1.0 >sigma 3 127 ASN 6 3 17 3 17.6 1.2 >sigma 3 128 LEU 7 7 41 6 14.6 0.8 . 3 129 ALA 3 2 18 1 5.6 -0.3 . 3 130 PRO 5 0 35 0 0.0 -0.9 . 3 131 VAL 5 1 18 0 0.0 -0.9 . 3 132 ASN 6 0 16 0 0.0 -0.9 . 3 133 PHE 7 3 16 2 12.5 0.6 . 3 134 ASP 4 4 13 3 23.1 1.8 >sigma 3 135 ALA 3 7 22 4 18.2 1.2 >sigma 3 136 LEU 7 7 20 3 15.0 0.8 . 3 137 PHE 7 7 22 4 18.2 1.2 >sigma 3 138 MET 6 9 14 4 28.6 2.4 >sigma 3 139 ASN 6 4 13 2 15.4 0.9 . 3 140 TYR 6 5 15 3 20.0 1.4 >sigma 3 141 LEU 7 4 14 3 21.4 1.6 >sigma 3 142 GLN 7 0 9 0 0.0 -0.9 . 3 143 GLN 7 0 10 0 0.0 -0.9 . 3 144 GLN 7 0 10 0 0.0 -0.9 . 3 145 ALA 3 0 7 0 0.0 -0.9 . 3 146 GLY 3 0 5 0 0.0 -0.9 . 3 147 GLU 5 0 8 0 0.0 -0.9 . 3 148 GLY 3 0 8 0 0.0 -0.9 . 3 149 THR 4 0 7 0 0.0 -0.9 . 3 150 GLU 5 0 8 0 0.0 -0.9 . 3 151 GLU 5 0 8 0 0.0 -0.9 . 3 152 HIS 6 0 8 0 0.0 -0.9 . 3 153 GLN 7 0 9 0 0.0 -0.9 . 3 154 ASP 4 0 9 0 0.0 -0.9 . 3 155 ALA 3 0 4 0 0.0 -0.9 . 4 1 MET 6 0 3 0 0.0 -0.9 . 4 2 SER 4 0 7 0 0.0 -0.9 . 4 3 GLU 5 0 9 0 0.0 -0.9 . 4 4 GLN 7 0 9 0 0.0 -0.9 . 4 5 ASN 6 0 8 0 0.0 -0.9 . 4 6 ASN 6 0 7 0 0.0 -0.9 . 4 7 THR 4 0 7 0 0.0 -0.9 . 4 8 GLU 5 0 9 0 0.0 -0.9 . 4 9 MET 6 4 21 2 9.5 0.2 . 4 10 THR 4 5 22 3 13.6 0.7 . 4 11 PHE 7 11 35 5 14.3 0.8 . 4 12 GLN 7 5 17 2 11.8 0.5 . 4 13 ILE 6 5 36 1 2.8 -0.6 . 4 14 GLN 7 5 34 1 2.9 -0.6 . 4 15 ARG 7 4 40 3 7.5 -0.0 . 4 16 ILE 6 5 59 1 1.7 -0.7 . 4 17 TYR 6 8 45 5 11.1 0.4 . 4 18 THR 4 6 37 1 2.7 -0.6 . 4 19 LYS 7 5 52 2 3.8 -0.5 . 4 20 ASP 4 3 28 2 7.1 -0.1 . 4 21 ILE 6 8 61 4 6.6 -0.1 . 4 22 SER 4 6 12 3 25.0 2.0 >sigma 4 23 PHE 7 10 66 6 9.1 0.2 . 4 24 GLU 5 7 21 2 9.5 0.2 . 4 25 ALA 3 4 28 3 10.7 0.3 . 4 26 PRO 5 0 22 0 0.0 -0.9 . 4 27 ASN 6 1 31 1 3.2 -0.5 . 4 28 ALA 3 8 27 5 18.5 1.3 >sigma 4 29 PRO 5 0 38 0 0.0 -0.9 . 4 30 HIS 6 4 23 2 8.7 0.1 . 4 31 VAL 5 12 42 8 19.0 1.3 >sigma 4 32 PHE 7 7 29 5 17.2 1.1 >sigma 4 33 GLN 7 4 17 3 17.6 1.2 >sigma 4 34 LYS 7 4 43 1 2.3 -0.6 . 4 35 ASP 4 3 12 1 8.3 0.1 . 4 36 TRP 10 5 14 2 14.3 0.8 . 4 37 GLN 7 3 19 1 5.3 -0.3 . 4 38 PRO 5 0 40 0 0.0 -0.9 . 4 39 GLU 5 2 9 1 11.1 0.4 . 4 40 VAL 5 9 34 6 17.6 1.2 >sigma 4 41 LYS 7 6 18 3 16.7 1.0 >sigma 4 42 LEU 7 5 26 2 7.7 -0.0 . 4 43 ASP 4 4 11 1 9.1 0.2 . 4 44 LEU 7 5 20 2 10.0 0.3 . 4 45 ASP 4 5 19 3 15.8 0.9 . 4 46 THR 4 2 16 0 0.0 -0.9 . 4 47 ALA 3 8 16 5 31.3 2.7 >sigma 4 48 SER 4 4 21 1 4.8 -0.3 . 4 49 SER 4 5 10 2 20.0 1.4 >sigma 4 50 GLN 7 5 20 0 0.0 -0.9 . 4 51 LEU 7 9 44 7 15.9 1.0 . 4 52 ALA 3 7 18 6 33.3 3.0 >sigma 4 53 ASP 4 5 7 1 14.3 0.8 . 4 54 ASP 4 2 14 1 7.1 -0.1 . 4 55 VAL 5 12 39 8 20.5 1.5 >sigma 4 56 TYR 6 10 31 5 16.1 1.0 . 4 57 GLU 5 9 41 5 12.2 0.5 . 4 58 VAL 5 10 47 6 12.8 0.6 . 4 59 VAL 5 9 39 5 12.8 0.6 . 4 60 LEU 7 16 61 9 14.8 0.8 . 4 61 ARG 7 5 37 2 5.4 -0.3 . 4 62 VAL 5 14 35 9 25.7 2.1 >sigma 4 63 THR 4 4 27 2 7.4 -0.0 . 4 64 VAL 5 13 53 12 22.6 1.7 >sigma 4 65 THR 4 4 23 3 13.0 0.6 . 4 66 ALA 3 15 26 9 34.6 3.1 >sigma 4 67 SER 4 6 19 3 15.8 0.9 . 4 68 LEU 7 10 69 7 10.1 0.3 . 4 69 GLY 3 3 10 0 0.0 -0.9 . 4 70 GLU 5 2 8 1 12.5 0.6 . 4 71 GLU 5 4 23 1 4.3 -0.4 . 4 72 THR 4 2 29 0 0.0 -0.9 . 4 73 ALA 3 14 35 11 31.4 2.8 >sigma 4 74 PHE 7 19 65 15 23.1 1.8 >sigma 4 75 LEU 7 7 36 3 8.3 0.1 . 4 76 CYS 4 5 35 1 2.9 -0.6 . 4 77 GLU 5 5 25 3 12.0 0.5 . 4 78 VAL 5 15 55 11 20.0 1.4 >sigma 4 79 GLN 7 6 38 3 7.9 0.0 . 4 80 GLN 7 7 55 4 7.3 -0.1 . 4 81 GLY 3 7 25 2 8.0 0.0 . 4 82 GLY 3 6 27 2 7.4 -0.0 . 4 83 ILE 6 6 57 3 5.3 -0.3 . 4 84 PHE 7 11 57 5 8.8 0.1 . 4 85 SER 4 7 25 1 4.0 -0.4 . 4 86 ILE 6 8 34 3 8.8 0.1 . 4 87 ALA 3 7 22 3 13.6 0.7 . 4 88 GLY 3 4 12 2 16.7 1.0 >sigma 4 89 ILE 6 9 44 3 6.8 -0.1 . 4 90 GLU 5 4 15 1 6.7 -0.1 . 4 91 GLY 3 3 7 0 0.0 -0.9 . 4 92 THR 4 3 9 1 11.1 0.4 . 4 93 GLN 7 4 18 2 11.1 0.4 . 4 94 MET 6 11 40 5 12.5 0.6 . 4 95 ALA 3 7 17 3 17.6 1.2 >sigma 4 96 HIS 6 7 14 3 21.4 1.6 >sigma 4 97 CYS 4 6 17 3 17.6 1.2 >sigma 4 98 LEU 7 11 30 3 10.0 0.3 . 4 99 GLY 3 8 13 3 23.1 1.8 >sigma 4 100 ALA 3 10 24 6 25.0 2.0 >sigma 4 101 TYR 6 10 28 7 25.0 2.0 >sigma 4 102 CYS 4 6 33 3 9.1 0.2 . 4 103 PRO 5 0 40 0 0.0 -0.9 . 4 104 ASN 6 0 20 0 0.0 -0.9 . 4 105 ILE 6 2 48 2 4.2 -0.4 . 4 106 LEU 7 0 73 0 0.0 -0.9 . 4 107 PHE 7 0 43 0 0.0 -0.9 . 4 108 PRO 5 0 39 0 0.0 -0.9 . 4 109 TYR 6 6 55 1 1.8 -0.7 . 4 110 ALA 3 11 38 7 18.4 1.2 >sigma 4 111 ARG 7 6 68 3 4.4 -0.4 . 4 112 GLU 5 5 37 2 5.4 -0.3 . 4 113 CYS 4 6 32 2 6.3 -0.2 . 4 114 ILE 6 11 57 8 14.0 0.7 . 4 115 THR 4 7 30 2 6.7 -0.1 . 4 116 SER 4 6 22 2 9.1 0.2 . 4 117 MET 6 9 52 7 13.5 0.7 . 4 118 VAL 5 12 49 9 18.4 1.2 >sigma 4 119 SER 4 6 19 4 21.1 1.6 >sigma 4 120 ARG 7 0 48 0 0.0 -0.9 . 4 121 GLY 3 5 26 3 11.5 0.4 . 4 122 THR 4 2 27 2 7.4 -0.0 . 4 123 PHE 7 9 55 9 16.4 1.0 >sigma 4 124 PRO 5 0 24 0 0.0 -0.9 . 4 125 GLN 7 1 32 0 0.0 -0.9 . 4 126 LEU 7 7 38 5 13.2 0.6 . 4 127 ASN 6 2 30 0 0.0 -0.9 . 4 128 LEU 7 8 42 6 14.3 0.8 . 4 129 ALA 3 3 21 2 9.5 0.2 . 4 130 PRO 5 0 37 0 0.0 -0.9 . 4 131 VAL 5 2 14 0 0.0 -0.9 . 4 132 ASN 6 0 14 0 0.0 -0.9 . 4 133 PHE 7 8 19 2 10.5 0.3 . 4 134 ASP 4 6 15 3 20.0 1.4 >sigma 4 135 ALA 3 6 23 3 13.0 0.6 . 4 136 LEU 7 9 20 3 15.0 0.8 . 4 137 PHE 7 9 26 5 19.2 1.3 >sigma 4 138 MET 6 7 24 3 12.5 0.6 . 4 139 ASN 6 5 15 2 13.3 0.7 . 4 140 TYR 6 6 18 3 16.7 1.0 >sigma 4 141 LEU 7 6 21 4 19.0 1.3 >sigma 4 142 GLN 7 0 12 0 0.0 -0.9 . 4 143 GLN 7 0 9 0 0.0 -0.9 . 4 144 GLN 7 0 7 0 0.0 -0.9 . 4 145 ALA 3 0 8 0 0.0 -0.9 . 4 146 GLY 3 0 6 0 0.0 -0.9 . 4 147 GLU 5 0 7 0 0.0 -0.9 . 4 148 GLY 3 0 7 0 0.0 -0.9 . 4 149 THR 4 0 6 0 0.0 -0.9 . 4 150 GLU 5 0 7 0 0.0 -0.9 . 4 151 GLU 5 0 8 0 0.0 -0.9 . 4 152 HIS 6 0 7 0 0.0 -0.9 . 4 153 GLN 7 0 7 0 0.0 -0.9 . 4 154 ASP 4 0 8 0 0.0 -0.9 . 4 155 ALA 3 0 4 0 0.0 -0.9 . 5 1 LYS 7 0 4 0 0.0 -0.9 . 5 2 GLY 3 0 7 0 0.0 -0.9 . 5 3 LYS 7 0 7 0 0.0 -0.9 . 5 4 SER 4 0 8 0 0.0 -0.9 . 5 5 ALA 3 0 6 0 0.0 -0.9 . 5 6 LEU 7 0 12 0 0.0 -0.9 . 5 7 MET 6 0 21 0 0.0 -0.9 . 5 8 PHE 7 0 21 0 0.0 -0.9 . 5 9 ASN 6 0 7 0 0.0 -0.9 . 5 10 LEU 7 0 12 0 0.0 -0.9 . 5 11 GLN 7 0 8 0 0.0 -0.9 . 5 12 GLU 5 0 10 0 0.0 -0.9 . 5 13 PRO 5 0 7 0 0.0 -0.9 . 5 14 TYR 6 0 9 0 0.0 -0.9 . 5 15 PHE 7 0 16 0 0.0 -0.9 . 5 16 THR 4 0 7 0 0.0 -0.9 . 5 17 TRP 10 0 17 0 0.0 -0.9 . 5 18 PRO 5 0 10 0 0.0 -0.9 . 5 19 LEU 7 0 23 0 0.0 -0.9 . 5 20 ILE 6 0 29 0 0.0 -0.9 . 5 21 ALA 3 0 7 0 0.0 -0.9 . 5 22 ALA 3 0 14 0 0.0 -0.9 . 5 23 ASP 4 0 7 0 0.0 -0.9 . 5 24 GLY 3 0 7 0 0.0 -0.9 . 5 25 GLY 3 0 6 0 0.0 -0.9 . 5 26 TYR 6 0 12 0 0.0 -0.9 . 5 27 ALA 3 0 8 0 0.0 -0.9 . 5 28 PHE 7 0 17 0 0.0 -0.9 . 5 29 LYS 7 0 6 0 0.0 -0.9 . 5 30 TYR 6 0 11 0 0.0 -0.9 . 5 31 GLU 5 0 8 0 0.0 -0.9 . 5 32 ASN 6 0 9 0 0.0 -0.9 . 5 33 GLY 3 0 7 0 0.0 -0.9 . 5 34 LYS 7 0 8 0 0.0 -0.9 . 5 35 TYR 6 0 15 0 0.0 -0.9 . 5 36 ASP 4 0 7 0 0.0 -0.9 . 5 37 ILE 6 0 16 0 0.0 -0.9 . 5 38 LYS 7 0 9 0 0.0 -0.9 . 5 39 ASP 4 0 9 0 0.0 -0.9 . 5 40 VAL 5 0 10 0 0.0 -0.9 . 6 1 LYS 7 0 3 0 0.0 -0.9 . 6 2 GLY 3 0 6 0 0.0 -0.9 . 6 3 LYS 7 0 8 0 0.0 -0.9 . 6 4 SER 4 0 9 0 0.0 -0.9 . 6 5 ALA 3 0 10 0 0.0 -0.9 . 6 6 LEU 7 0 10 0 0.0 -0.9 . 6 7 MET 6 0 19 0 0.0 -0.9 . 6 8 PHE 7 0 21 0 0.0 -0.9 . 6 9 ASN 6 0 6 0 0.0 -0.9 . 6 10 LEU 7 0 10 0 0.0 -0.9 . 6 11 GLN 7 0 9 0 0.0 -0.9 . 6 12 GLU 5 0 10 0 0.0 -0.9 . 6 13 PRO 5 0 6 0 0.0 -0.9 . 6 14 TYR 6 0 8 0 0.0 -0.9 . 6 15 PHE 7 0 17 0 0.0 -0.9 . 6 16 THR 4 0 7 0 0.0 -0.9 . 6 17 TRP 10 0 14 0 0.0 -0.9 . 6 18 PRO 5 0 6 0 0.0 -0.9 . 6 19 LEU 7 0 14 0 0.0 -0.9 . 6 20 ILE 6 0 27 0 0.0 -0.9 . 6 21 ALA 3 0 8 0 0.0 -0.9 . 6 22 ALA 3 0 13 0 0.0 -0.9 . 6 23 ASP 4 0 7 0 0.0 -0.9 . 6 24 GLY 3 0 7 0 0.0 -0.9 . 6 25 GLY 3 0 6 0 0.0 -0.9 . 6 26 TYR 6 0 7 0 0.0 -0.9 . 6 27 ALA 3 0 7 0 0.0 -0.9 . 6 28 PHE 7 0 21 0 0.0 -0.9 . 6 29 LYS 7 0 9 0 0.0 -0.9 . 6 30 TYR 6 0 12 0 0.0 -0.9 . 6 31 GLU 5 0 9 0 0.0 -0.9 . 6 32 ASN 6 0 8 0 0.0 -0.9 . 6 33 GLY 3 0 6 0 0.0 -0.9 . 6 34 LYS 7 0 9 0 0.0 -0.9 . 6 35 TYR 6 0 21 0 0.0 -0.9 . 6 36 ASP 4 0 10 0 0.0 -0.9 . 6 37 ILE 6 0 24 0 0.0 -0.9 . 6 38 LYS 7 0 11 0 0.0 -0.9 . 6 39 ASP 4 0 9 0 0.0 -0.9 . 6 40 VAL 5 0 13 0 0.0 -0.9 . 7 1 LYS 7 0 4 0 0.0 -0.9 . 7 2 GLY 3 0 7 0 0.0 -0.9 . 7 3 LYS 7 0 8 0 0.0 -0.9 . 7 4 SER 4 0 9 0 0.0 -0.9 . 7 5 ALA 3 0 8 0 0.0 -0.9 . 7 6 LEU 7 0 17 0 0.0 -0.9 . 7 7 MET 6 0 19 0 0.0 -0.9 . 7 8 PHE 7 0 18 0 0.0 -0.9 . 7 9 ASN 6 0 8 0 0.0 -0.9 . 7 10 LEU 7 0 9 0 0.0 -0.9 . 7 11 GLN 7 0 8 0 0.0 -0.9 . 7 12 GLU 5 0 10 0 0.0 -0.9 . 7 13 PRO 5 0 7 0 0.0 -0.9 . 7 14 TYR 6 0 10 0 0.0 -0.9 . 7 15 PHE 7 0 15 0 0.0 -0.9 . 7 16 THR 4 0 7 0 0.0 -0.9 . 7 17 TRP 10 0 14 0 0.0 -0.9 . 7 18 PRO 5 0 7 0 0.0 -0.9 . 7 19 LEU 7 0 20 0 0.0 -0.9 . 7 20 ILE 6 0 31 0 0.0 -0.9 . 7 21 ALA 3 0 8 0 0.0 -0.9 . 7 22 ALA 3 0 16 0 0.0 -0.9 . 7 23 ASP 4 0 6 0 0.0 -0.9 . 7 24 GLY 3 0 7 0 0.0 -0.9 . 7 25 GLY 3 0 6 0 0.0 -0.9 . 7 26 TYR 6 0 8 0 0.0 -0.9 . 7 27 ALA 3 0 8 0 0.0 -0.9 . 7 28 PHE 7 0 20 0 0.0 -0.9 . 7 29 LYS 7 0 7 0 0.0 -0.9 . 7 30 TYR 6 0 16 0 0.0 -0.9 . 7 31 GLU 5 0 8 0 0.0 -0.9 . 7 32 ASN 6 0 9 0 0.0 -0.9 . 7 33 GLY 3 0 7 0 0.0 -0.9 . 7 34 LYS 7 0 8 0 0.0 -0.9 . 7 35 TYR 6 0 15 0 0.0 -0.9 . 7 36 ASP 4 0 5 0 0.0 -0.9 . 7 37 ILE 6 0 13 0 0.0 -0.9 . 7 38 LYS 7 0 9 0 0.0 -0.9 . 7 39 ASP 4 0 9 0 0.0 -0.9 . 7 40 VAL 5 0 13 0 0.0 -0.9 . 8 1 LYS 7 0 4 0 0.0 -0.9 . 8 2 GLY 3 0 7 0 0.0 -0.9 . 8 3 LYS 7 0 8 0 0.0 -0.9 . 8 4 SER 4 0 9 0 0.0 -0.9 . 8 5 ALA 3 0 8 0 0.0 -0.9 . 8 6 LEU 7 0 16 0 0.0 -0.9 . 8 7 MET 6 0 24 0 0.0 -0.9 . 8 8 PHE 7 0 18 0 0.0 -0.9 . 8 9 ASN 6 0 9 0 0.0 -0.9 . 8 10 LEU 7 0 10 0 0.0 -0.9 . 8 11 GLN 7 0 7 0 0.0 -0.9 . 8 12 GLU 5 0 10 0 0.0 -0.9 . 8 13 PRO 5 0 7 0 0.0 -0.9 . 8 14 TYR 6 0 9 0 0.0 -0.9 . 8 15 PHE 7 0 18 0 0.0 -0.9 . 8 16 THR 4 0 7 0 0.0 -0.9 . 8 17 TRP 10 0 17 0 0.0 -0.9 . 8 18 PRO 5 0 8 0 0.0 -0.9 . 8 19 LEU 7 0 14 0 0.0 -0.9 . 8 20 ILE 6 0 23 0 0.0 -0.9 . 8 21 ALA 3 0 6 0 0.0 -0.9 . 8 22 ALA 3 0 12 0 0.0 -0.9 . 8 23 ASP 4 0 6 0 0.0 -0.9 . 8 24 GLY 3 0 8 0 0.0 -0.9 . 8 25 GLY 3 0 7 0 0.0 -0.9 . 8 26 TYR 6 0 10 0 0.0 -0.9 . 8 27 ALA 3 0 7 0 0.0 -0.9 . 8 28 PHE 7 0 32 0 0.0 -0.9 . 8 29 LYS 7 0 10 0 0.0 -0.9 . 8 30 TYR 6 0 21 0 0.0 -0.9 . 8 31 GLU 5 0 8 0 0.0 -0.9 . 8 32 ASN 6 0 8 0 0.0 -0.9 . 8 33 GLY 3 0 7 0 0.0 -0.9 . 8 34 LYS 7 0 7 0 0.0 -0.9 . 8 35 TYR 6 0 15 0 0.0 -0.9 . 8 36 ASP 4 0 7 0 0.0 -0.9 . 8 37 ILE 6 0 21 0 0.0 -0.9 . 8 38 LYS 7 0 9 0 0.0 -0.9 . 8 39 ASP 4 0 9 0 0.0 -0.9 . 8 40 VAL 5 0 15 0 0.0 -0.9 . stop_ save_
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