data_1vwc_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1vwc _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 116.726 -1.607 . . . . 41.850000000000001 107.77 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 29.98 -82.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 127.98 2.512 . . . . 48.159999999999997 115.791 -172.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.28 75.76 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 120.061 1.3 . . . . 41.049999999999997 109.953 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.19 -38.23 76.35 Favored Glycine 0 CA--C 1.542 1.76 0 N-CA-C 116.217 1.247 . . . . 36.229999999999997 116.217 173.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 86.1 mt -78.44 -38.72 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 N-CA-C 109.639 -0.504 . . . . 26.390000000000001 109.639 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 17.6 m -60.7 129.26 40.63 Favored 'General case' 0 C--O 1.242 0.711 0 C-N-CA 123.159 0.583 . . . . 26.609999999999999 110.078 -175.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.76 -162.87 25.89 Favored Glycine 0 C--N 1.35 1.361 0 O-C-N 124.524 1.14 . . . . 23.370000000000001 114.553 -176.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -106.0 132.81 51.64 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 125.751 1.621 . . . . 23.280000000000001 112.237 -177.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -124.34 148.92 47.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 123.935 0.894 . . . . 22.149999999999999 110.104 -175.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -133.84 139.55 46.31 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 120.766 -1.209 . . . . 22.530000000000001 107.969 -174.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -104.21 -179.97 4.1 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.273 0.842 . . . . 31.68 113.273 169.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -62.13 -29.01 70.04 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.116 0.967 . . . . 52.030000000000001 111.75 -175.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -96.83 6.94 47.71 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 116.043 1.868 . . . . 63.390000000000001 116.043 -169.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.34 -1.68 58.96 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-N 123.36 2.8 . . . . 49.509999999999998 115.849 -175.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 15.1 m -85.87 151.93 23.39 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 122.559 3.179 . . . . 30.719999999999999 112.178 175.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -130.37 133.52 46.46 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.005 0.922 . . . . 39.32 111.915 -176.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -126.07 153.48 44.4 Favored 'General case' 0 CA--C 1.5 -0.957 0 O-C-N 118.458 -2.651 . . . . 27.510000000000002 112.878 159.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.12 125.55 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 113.296 -1.775 . . . . 32.049999999999997 109.047 177.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -135.83 140.77 43.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-O 123.539 1.638 . . . . 22.420000000000002 113.738 -174.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 92.1 m -107.6 123.36 48.36 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-N 113.725 -1.58 . . . . 29.34 110.589 164.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.37 114.67 26.82 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 113.766 -1.561 . . . . 29.859999999999999 108.947 172.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.29 163.81 30.41 Favored Glycine 0 N--CA 1.442 -0.953 0 O-C-N 120.038 -1.664 . . . . 36.030000000000001 112.762 -177.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.4 80.13 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 114.038 1.125 . . . . 46.159999999999997 114.038 -169.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -101.91 45.77 0.95 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 118.493 2.775 . . . . 41.829999999999998 118.493 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.26 2.45 80.14 Favored Glycine 0 C--N 1.341 0.852 0 N-CA-C 115.65 1.02 . . . . 28.870000000000001 115.65 174.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.33 146.24 27.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 120.232 2.016 . . . . 24.039999999999999 112.862 -176.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.91 120.02 26.82 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 105.65 -1.982 . . . . 29.0 105.65 176.348 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -135.72 150.53 49.57 Favored 'General case' 0 C--O 1.243 0.714 0 O-C-N 118.297 -2.752 . . . . 28.899999999999999 110.697 175.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.71 -148.78 13.33 Favored Glycine 0 C--O 1.257 1.538 0 CA-C-N 119.579 1.081 . . . . 20.59 113.311 174.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 39.3 p -138.81 143.58 38.96 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.616 -0.883 . . . . 27.039999999999999 108.616 -175.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -110.17 134.62 52.02 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 103.855 -2.646 . . . . 22.260000000000002 103.855 176.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -123.64 114.81 20.48 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 102.301 -3.222 . . . . 53.630000000000003 102.301 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.9 p -71.61 -19.49 62.12 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 114.731 1.382 . . . . 47.630000000000003 114.731 -175.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.14 122.69 16.21 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 107.854 -1.165 . . . . 53.43 107.854 170.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.38 -31.22 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 125.635 1.834 . . . . 59.829999999999998 115.222 -173.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.77 -74.59 0.35 Allowed Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 119.777 -1.202 . . . . 61.030000000000001 111.773 174.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.43 135.63 33.57 Favored 'General case' 0 CA--C 1.491 -1.302 0 CA-C-O 124.846 2.26 . . . . 64.120000000000005 115.486 -151.602 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.58 -12.09 5.96 Favored 'General case' 0 N--CA 1.437 -1.092 1 CA-C-N 106.418 -4.901 . . . . 52.780000000000001 116.097 -178.226 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . 0.462 ' CA ' ' H ' ' B' ' 53' ' ' ARG . 1.4 tt0 -145.9 64.95 1.22 Allowed 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 121.515 3.894 . . . . 62.689999999999998 121.515 148.872 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.4 p -88.02 15.62 7.08 Favored 'General case' 0 CA--C 1.554 1.112 1 CA-C-N 104.301 -5.863 . . . . 37.109999999999999 108.543 132.77 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ARG . . . . . 0.462 ' H ' ' CA ' ' B' ' 51' ' ' GLU . 16.1 mtt180 -90.35 123.46 34.12 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.173 2.189 . . . . 37.68 116.61 179.899 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -133.5 145.7 50.4 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 119.602 -1.936 . . . . 22.809999999999999 106.753 -175.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 90.6 t -60.5 135.38 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 125.287 1.435 . . . . 21.850000000000001 114.548 171.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.59 148.48 43.28 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-O 123.956 1.836 . . . . 25.550000000000001 113.308 166.33 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 2.0 t -144.66 142.14 29.88 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 112.817 -1.992 . . . . 26.379999999999999 110.884 175.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.17 -166.4 25.13 Favored Glycine 0 C--O 1.25 1.105 0 O-C-N 120.916 -1.115 . . . . 20.710000000000001 112.843 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -141.71 154.53 45.37 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 108.434 -0.951 . . . . 19.899999999999999 108.434 -176.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -135.5 152.34 51.24 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 120.045 -1.66 . . . . 25.18 108.439 169.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -106.84 100.2 9.72 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 125.929 2.776 . . . . 24.640000000000001 112.495 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -74.91 137.02 41.43 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 109.099 -3.682 . . . . 48.0 113.483 174.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.69 155.71 32.67 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 119.923 -1.735 . . . . 51.280000000000001 114.754 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -65.86 117.21 4.45 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.952 3.101 . . . . 50.200000000000003 113.543 167.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.39 130.42 55.56 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 119.223 -2.173 . . . . 53.140000000000001 109.295 -175.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.63 6.78 12.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.257 1.206 . . . . 55.82 114.257 177.943 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -141.41 20.23 2.22 Favored 'General case' 0 C--N 1.333 -0.11 0 O-C-N 120.656 -1.277 . . . . 61.469999999999999 113.496 -167.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.98 27.31 73.7 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 117.041 1.576 . . . . 60.229999999999997 117.041 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m -64.74 151.63 44.65 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 116.641 2.089 . . . . 49.700000000000003 116.641 168.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.47 168.48 53.88 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 110.8 -0.92 . . . . 31.890000000000001 110.8 168.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 54.4 m -104.79 116.07 31.39 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 117.298 -1.334 . . . . 22.710000000000001 108.909 175.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.24 139.2 52.17 Favored 'General case' 0 C--O 1.265 1.871 0 CA-C-N 120.734 1.607 . . . . 21.27 111.475 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 pp -153.14 167.04 30.6 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 126.769 2.028 . . . . 25.34 113.571 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -160.04 156.31 27.52 Favored Glycine 0 C--N 1.341 0.856 0 C-N-CA 125.159 1.362 . . . . 19.210000000000001 113.047 172.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -150.8 161.25 43.02 Favored 'General case' 0 C--O 1.261 1.67 0 CA-C-O 123.701 1.715 . . . . 18.010000000000002 110.864 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 32.1 m -122.15 139.58 53.57 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-N 114.234 -1.348 . . . . 18.780000000000001 111.48 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 74.9 t -123.32 122.1 64.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 N-CA-C 107.569 -1.271 . . . . 17.710000000000001 107.569 165.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.59 133.53 33.78 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-N 118.301 0.5 . . . . 21.359999999999999 109.977 164.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -88.24 64.38 7.62 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 126.225 2.917 . . . . 21.989999999999998 115.091 -170.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -141.22 133.14 27.57 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-N 112.646 -2.07 . . . . 40.939999999999998 110.735 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ASN . . . . . . . . . . . . . 50.7 p30 -151.19 -158.62 0.93 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 113.043 -1.89 . . . . 21.57 107.442 176.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -77.7 -9.0 58.75 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 119.928 3.307 . . . . 39.640000000000001 119.928 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -116.32 -16.5 10.9 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 112.853 -1.976 . . . . 45.159999999999997 113.749 -178.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 36.5 tpt85 -154.38 143.9 21.47 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 123.619 2.918 . . . . 25.859999999999999 106.218 -169.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -138.04 95.2 2.98 Favored 'General case' 0 C--O 1.253 1.239 0 CA-C-O 123.769 1.747 . . . . 21.100000000000001 107.487 169.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.91 -0.57 44.39 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 116.795 2.146 . . . . 21.309999999999999 116.795 -175.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.16 48.8 20.13 Favored 'General case' 0 C--O 1.25 1.117 0 CA-C-O 125.047 2.356 . . . . 30.300000000000001 114.514 179.104 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -161.55 163.11 30.35 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 112.065 -2.334 . . . . 18.940000000000001 114.037 -175.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.19 140.74 26.82 Favored 'General case' 0 C--O 1.254 1.336 0 C-N-CA 125.856 1.662 . . . . 20.41 109.152 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 79.4 m -114.26 139.46 49.39 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.631 -1.293 . . . . 17.059999999999999 112.437 171.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 43.3 p -113.7 134.41 54.76 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 123.596 0.758 . . . . 19.48 112.302 168.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' TRP . . . . . . . . . . . . . 12.9 m-90 -113.51 132.03 55.84 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 105.515 -2.031 . . . . 18.620000000000001 105.515 178.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 38.6 t -120.0 130.93 54.96 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.143 0.577 . . . . 19.059999999999999 112.187 176.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.19 -154.85 13.07 Favored Glycine 0 C--O 1.243 0.672 0 O-C-N 118.351 -2.718 . . . . 19.079999999999998 112.88 -176.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -145.77 144.46 30.32 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 115.686 1.735 . . . . 27.280000000000001 115.686 178.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -88.11 130.48 35.01 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 123.951 1.834 . . . . 28.739999999999998 114.057 172.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -123.62 127.43 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 105.84 -1.911 . . . . 38.299999999999997 105.84 175.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.92 -169.65 38.24 Favored Glycine 0 CA--C 1.533 1.175 0 O-C-N 118.749 -2.47 . . . . 37.780000000000001 113.021 -173.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 115.73 -162.93 12.38 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.525 -1.03 . . . . 35.979999999999997 110.525 174.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.13 99.38 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 113.975 -1.113 . . . . 34.689999999999998 111.167 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.07 72.59 0.8 Allowed 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 124.767 2.222 . . . . 36.990000000000002 114.051 169.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.73 134.39 57.04 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 111.507 -2.588 . . . . 28.309999999999999 111.131 172.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.46 164.86 28.98 Favored 'General case' 0 N--CA 1.445 -0.705 0 O-C-N 120.483 -1.385 . . . . 39.869999999999997 111.734 171.08 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 72.1 mt -121.1 119.65 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.962 0 N-CA-C 103.276 -2.861 . . . . 24.079999999999998 103.276 171.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -102.13 130.69 48.82 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 108.729 -0.841 . . . . 38.990000000000002 108.729 174.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 33.4 p -131.44 156.12 46.17 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 114.367 1.247 . . . . 18.629999999999999 114.367 -176.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -115.08 149.65 37.18 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 108.263 -1.014 . . . . 31.77 108.263 157.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -132.87 156.06 47.89 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-O 123.774 1.749 . . . . 20.690000000000001 112.205 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.2 mt -125.66 120.74 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 110.431 -3.077 . . . . 21.940000000000001 112.319 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 tp -108.08 116.23 31.58 Favored 'General case' 0 C--O 1.242 0.705 0 O-C-N 120.666 -1.271 . . . . 24.379999999999999 110.566 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 49.2 m -108.96 134.65 51.34 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-O 122.55 1.167 . . . . 19.399999999999999 111.592 175.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 15.4 m -102.24 147.54 26.53 Favored 'General case' 0 C--O 1.248 0.999 0 O-C-N 119.904 -1.747 . . . . 28.82 110.865 170.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.67 122.54 14.32 Favored Glycine 0 CA--C 1.534 1.226 0 N-CA-C 109.627 -1.389 . . . . 28.440000000000001 109.627 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 80.9 p -123.16 168.82 11.92 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 122.556 3.178 . . . . 26.82 109.363 -177.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 45.8 p -68.5 166.34 17.12 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.754 -1.202 . . . . 41.920000000000002 107.754 160.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.66 -26.19 64.27 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 116.968 2.21 . . . . 50.490000000000002 116.968 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.07 -33.58 69.2 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 122.174 0.988 . . . . 52.049999999999997 111.924 169.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -102.18 6.41 40.72 Favored 'General case' 0 N--CA 1.432 -1.36 0 C-N-CA 118.888 -1.125 . . . . 57.359999999999999 113.051 -172.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.65 -34.79 73.27 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 120.462 -0.495 . . . . 34.979999999999997 111.64 -171.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 -66.38 -18.79 65.56 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 118.653 -2.529 . . . . 51.890000000000001 114.292 -176.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -108.03 26.32 10.52 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-O 122.525 1.155 . . . . 37.25 111.146 176.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 90.0 p -82.68 -21.68 34.84 Favored 'General case' 0 C--O 1.253 1.289 0 O-C-N 116.957 -3.589 . . . . 25.129999999999999 117.229 -176.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 28.8 m -122.66 120.08 32.66 Favored 'General case' 0 C--O 1.257 1.5 0 CA-C-O 123.466 1.603 . . . . 18.469999999999999 113.816 -168.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 38.1 mt -93.72 151.56 19.55 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 114.011 -1.45 . . . . 22.920000000000002 110.696 170.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 9.5 p -123.99 144.7 32.83 Favored 'Isoleucine or valine' 0 C--O 1.26 1.633 0 C-N-CA 125.545 1.538 . . . . 19.02 109.713 174.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -163.66 -164.32 18.51 Favored Glycine 0 CA--C 1.499 -0.909 0 N-CA-C 110.146 -1.181 . . . . 19.43 110.146 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -145.73 155.53 43.02 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.248 -1.148 . . . . 33.130000000000003 111.232 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -145.29 141.61 28.73 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.854 1.206 . . . . 41.740000000000002 112.603 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 38.6 m -114.56 135.9 53.62 Favored 'General case' 0 CA--C 1.513 -0.464 0 O-C-N 119.916 -1.74 . . . . 32.18 111.919 166.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -112.97 140.76 47.51 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 123.702 0.801 . . . . 23.379999999999999 109.392 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 46.1 p -129.73 169.38 15.18 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.219 -0.926 . . . . 25.579999999999998 110.2 173.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' LYS . . . . . 0.769 ' NZ ' ' O ' ' B' ' 331' ' ' HOH . 2.7 mmpt? -82.96 -7.58 59.65 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.393 1.257 . . . . 36.939999999999998 114.393 179.648 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 106.466 -1.679 . . . . 51.159999999999997 106.466 -172.651 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.063 . . . . . . . . 66.519999999999996 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 1' ' ' CYS . . . . . . . . . . . . . 41.9 t -163.12 71.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 1 N-CA-C 100.15 -4.019 . . . . 66.239999999999995 100.15 . -176.374 -47.534 116.614 111.988 2.025 100.775 166.023 100.551 2 2 . 1 . 001 ecloud orig full ' P' P ' 2' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -75.77 136.81 70.25 Favored Pre-proline 0 C--O 1.255 1.348 0 N-CA-C 107.374 -1.343 . . . . 68.599999999999994 107.374 -171.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 3' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -18.24 -38.37 0.0 OUTLIER 'Trans proline' 0 N--CA 1.434 -2.006 1 C-N-CA 126.524 4.816 . . . . 63.270000000000003 117.38 159.07 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -68.53 -36.15 78.45 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 122.466 2.394 . . . . 53.640000000000001 114.478 -169.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 5' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -121.54 -31.73 3.96 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 112.925 -1.943 . . . . 71.609999999999999 111.312 -173.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.21 120.63 38.96 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-O 124.01 1.862 . . . . 64.489999999999995 107.801 177.086 100.551 166.023 116.614 100.775 2.025 111.988 -47.534 -176.374 2 2 . 1 . 001 ecloud orig full ' P' P ' 7' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.686 0 O-C-N 119.148 -2.22 . . . . 61.329999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 274' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 293' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 298' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 331' ' ' HOH . . . . . 0.769 ' O ' ' NZ ' ' B' ' 132' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 459' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 460' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 465' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 466' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 467' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 477' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 484' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 493' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 496' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 569' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 116.726 -1.607 . . . . 41.850000000000001 107.77 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 29.98 -82.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 127.98 2.512 . . . . 48.159999999999997 115.791 -172.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.28 75.76 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 120.061 1.3 . . . . 41.049999999999997 109.953 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.19 -38.23 76.35 Favored Glycine 0 CA--C 1.542 1.76 0 N-CA-C 116.217 1.247 . . . . 36.229999999999997 116.217 173.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 86.1 mt -78.44 -38.72 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 N-CA-C 109.639 -0.504 . . . . 26.390000000000001 109.639 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 17.6 m -60.7 129.26 40.63 Favored 'General case' 0 C--O 1.242 0.711 0 C-N-CA 123.159 0.583 . . . . 26.609999999999999 110.078 -175.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.76 -162.87 25.89 Favored Glycine 0 C--N 1.35 1.361 0 O-C-N 124.524 1.14 . . . . 23.370000000000001 114.553 -176.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -106.0 132.81 51.64 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 125.751 1.621 . . . . 23.280000000000001 112.237 -177.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -124.34 148.92 47.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 123.935 0.894 . . . . 22.149999999999999 110.104 -175.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -133.84 139.55 46.31 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 120.766 -1.209 . . . . 22.530000000000001 107.969 -174.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -104.21 -179.97 4.1 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.273 0.842 . . . . 31.68 113.273 169.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -62.13 -29.01 70.04 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.116 0.967 . . . . 52.030000000000001 111.75 -175.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -96.83 6.94 47.71 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 116.043 1.868 . . . . 63.390000000000001 116.043 -169.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.34 -1.68 58.96 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-N 123.36 2.8 . . . . 49.509999999999998 115.849 -175.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 15.1 m -85.87 151.93 23.39 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 122.559 3.179 . . . . 30.719999999999999 112.178 175.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . 0.45 ' OG1' HG22 ' B' ' 47' ' ' VAL . 16.7 m -130.37 133.52 46.46 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.005 0.922 . . . . 39.32 111.915 -176.829 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -126.07 153.48 44.4 Favored 'General case' 0 CA--C 1.5 -0.957 0 O-C-N 118.458 -2.651 . . . . 27.510000000000002 112.878 159.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ILE . . . . . 0.402 ' O ' ' HA3' ' B' ' 41' ' ' GLY . 4.2 mp -117.12 125.55 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 113.296 -1.775 . . . . 32.049999999999997 109.047 177.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -135.83 140.77 43.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-O 123.539 1.638 . . . . 22.420000000000002 113.738 -174.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 92.1 m -107.6 123.36 48.36 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-N 113.725 -1.58 . . . . 29.34 110.589 164.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.37 114.67 26.82 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 113.766 -1.561 . . . . 29.859999999999999 108.947 172.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.29 163.81 30.41 Favored Glycine 0 N--CA 1.442 -0.953 0 O-C-N 120.038 -1.664 . . . . 36.030000000000001 112.762 -177.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.4 80.13 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 114.038 1.125 . . . . 46.159999999999997 114.038 -169.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -101.91 45.77 0.95 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 118.493 2.775 . . . . 41.829999999999998 118.493 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.26 2.45 80.14 Favored Glycine 0 C--N 1.341 0.852 0 N-CA-C 115.65 1.02 . . . . 28.870000000000001 115.65 174.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.33 146.24 27.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 120.232 2.016 . . . . 24.039999999999999 112.862 -176.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' B' ' 60' ' ' TYR . 1.0 OUTLIER -127.91 120.02 26.82 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 105.65 -1.982 . . . . 29.0 105.65 176.348 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -135.72 150.53 49.57 Favored 'General case' 0 C--O 1.243 0.714 0 O-C-N 118.297 -2.752 . . . . 28.899999999999999 110.697 175.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' B' ' 30' ' ' ILE . . . 167.71 -148.78 13.33 Favored Glycine 0 C--O 1.257 1.538 0 CA-C-N 119.579 1.081 . . . . 20.59 113.311 174.073 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 39.3 p -138.81 143.58 38.96 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.616 -0.883 . . . . 27.039999999999999 108.616 -175.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -110.17 134.62 52.02 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 103.855 -2.646 . . . . 22.260000000000002 103.855 176.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -123.64 114.81 20.48 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 102.301 -3.222 . . . . 53.630000000000003 102.301 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.9 p -71.61 -19.49 62.12 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 114.731 1.382 . . . . 47.630000000000003 114.731 -175.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.14 122.69 16.21 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 107.854 -1.165 . . . . 53.43 107.854 170.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' VAL . . . . . 0.45 HG22 ' OG1' ' B' ' 28' ' ' THR . 2.3 t -51.38 -31.22 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 125.635 1.834 . . . . 59.829999999999998 115.222 -173.438 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.77 -74.59 0.35 Allowed Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 119.777 -1.202 . . . . 61.030000000000001 111.773 174.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.43 135.63 33.57 Favored 'General case' 0 CA--C 1.491 -1.302 0 CA-C-O 124.846 2.26 . . . . 64.120000000000005 115.486 -151.602 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.58 -12.09 5.96 Favored 'General case' 0 N--CA 1.437 -1.092 1 CA-C-N 106.418 -4.901 . . . . 52.780000000000001 116.097 -178.226 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . 0.77 ' HG2' ' ND2' ' B' ' 81' ' ' ASN . 1.4 tt0 -145.9 64.95 1.22 Allowed 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 121.515 3.894 . . . . 62.689999999999998 121.515 148.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.4 p -88.02 15.62 7.08 Favored 'General case' 0 CA--C 1.554 1.112 1 CA-C-N 104.301 -5.863 . . . . 37.109999999999999 108.543 132.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ARG . . . . . 0.717 ' H ' ' HA ' ' B' ' 51' ' ' GLU . 16.1 mtt180 -90.35 123.46 34.12 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.173 2.189 . . . . 37.68 116.61 179.899 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -133.5 145.7 50.4 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 119.602 -1.936 . . . . 22.809999999999999 106.753 -175.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 90.6 t -60.5 135.38 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 125.287 1.435 . . . . 21.850000000000001 114.548 171.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.59 148.48 43.28 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-O 123.956 1.836 . . . . 25.550000000000001 113.308 166.33 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 2.0 t -144.66 142.14 29.88 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 112.817 -1.992 . . . . 26.379999999999999 110.884 175.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.17 -166.4 25.13 Favored Glycine 0 C--O 1.25 1.105 0 O-C-N 120.916 -1.115 . . . . 20.710000000000001 112.843 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -141.71 154.53 45.37 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 108.434 -0.951 . . . . 19.899999999999999 108.434 -176.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' TYR . . . . . 0.434 ' CD1' HD13 ' B' ' 39' ' ' LEU . 24.4 p90 -135.5 152.34 51.24 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 120.045 -1.66 . . . . 25.18 108.439 169.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -106.84 100.2 9.72 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 125.929 2.776 . . . . 24.640000000000001 112.495 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -74.91 137.02 41.43 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 109.099 -3.682 . . . . 48.0 113.483 174.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.69 155.71 32.67 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 119.923 -1.735 . . . . 51.280000000000001 114.754 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -65.86 117.21 4.45 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.952 3.101 . . . . 50.200000000000003 113.543 167.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.39 130.42 55.56 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 119.223 -2.173 . . . . 53.140000000000001 109.295 -175.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.63 6.78 12.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.257 1.206 . . . . 55.82 114.257 177.943 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -141.41 20.23 2.22 Favored 'General case' 0 C--N 1.333 -0.11 0 O-C-N 120.656 -1.277 . . . . 61.469999999999999 113.496 -167.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.98 27.31 73.7 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 117.041 1.576 . . . . 60.229999999999997 117.041 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m -64.74 151.63 44.65 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 116.641 2.089 . . . . 49.700000000000003 116.641 168.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.47 168.48 53.88 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 110.8 -0.92 . . . . 31.890000000000001 110.8 168.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 54.4 m -104.79 116.07 31.39 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 117.298 -1.334 . . . . 22.710000000000001 108.909 175.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.24 139.2 52.17 Favored 'General case' 0 C--O 1.265 1.871 0 CA-C-N 120.734 1.607 . . . . 21.27 111.475 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 pp -153.14 167.04 30.6 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 126.769 2.028 . . . . 25.34 113.571 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -160.04 156.31 27.52 Favored Glycine 0 C--N 1.341 0.856 0 C-N-CA 125.159 1.362 . . . . 19.210000000000001 113.047 172.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -150.8 161.25 43.02 Favored 'General case' 0 C--O 1.261 1.67 0 CA-C-O 123.701 1.715 . . . . 18.010000000000002 110.864 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 32.1 m -122.15 139.58 53.57 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-N 114.234 -1.348 . . . . 18.780000000000001 111.48 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 74.9 t -123.32 122.1 64.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 N-CA-C 107.569 -1.271 . . . . 17.710000000000001 107.569 165.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.59 133.53 33.78 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-N 118.301 0.5 . . . . 21.359999999999999 109.977 164.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -88.24 64.38 7.62 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 126.225 2.917 . . . . 21.989999999999998 115.091 -170.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -141.22 133.14 27.57 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-N 112.646 -2.07 . . . . 40.939999999999998 110.735 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ASN . . . . . 0.77 ' ND2' ' HG2' ' B' ' 51' ' ' GLU . 50.7 p30 -151.19 -158.62 0.93 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 113.043 -1.89 . . . . 21.57 107.442 176.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -77.7 -9.0 58.75 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 119.928 3.307 . . . . 39.640000000000001 119.928 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' TYR . . . . . 0.416 ' CD1' ' HB3' ' B' ' 51' ' ' GLU . 76.8 m-85 -116.32 -16.5 10.9 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 112.853 -1.976 . . . . 45.159999999999997 113.749 -178.05 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 36.5 tpt85 -154.38 143.9 21.47 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 123.619 2.918 . . . . 29.73 106.218 -169.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -138.04 95.2 2.98 Favored 'General case' 0 C--O 1.253 1.239 0 CA-C-O 123.769 1.747 . . . . 21.100000000000001 107.487 169.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ALA . . . . . 0.455 ' HB2' ' HG2' ' P' ' 3' ' ' PRO . . . -81.91 -0.57 44.39 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 116.795 2.146 . . . . 21.309999999999999 116.795 -175.299 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.16 48.8 20.13 Favored 'General case' 0 C--O 1.25 1.117 0 CA-C-O 125.047 2.356 . . . . 30.300000000000001 114.514 179.104 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -161.55 163.11 30.35 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 112.065 -2.334 . . . . 18.940000000000001 114.037 -175.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.19 140.74 26.82 Favored 'General case' 0 C--O 1.254 1.336 0 C-N-CA 125.856 1.662 . . . . 20.41 109.152 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 79.4 m -114.26 139.46 49.39 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.631 -1.293 . . . . 17.059999999999999 112.437 171.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 43.3 p -113.7 134.41 54.76 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 123.596 0.758 . . . . 19.48 112.302 168.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' TRP . . . . . . . . . . . . . 12.9 m-90 -113.51 132.03 55.84 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 105.515 -2.031 . . . . 18.620000000000001 105.515 178.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 38.6 t -120.0 130.93 54.96 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.143 0.577 . . . . 19.059999999999999 112.187 176.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.19 -154.85 13.07 Favored Glycine 0 C--O 1.243 0.672 0 O-C-N 118.351 -2.718 . . . . 19.079999999999998 112.88 -176.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -145.77 144.46 30.32 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 115.686 1.735 . . . . 27.280000000000001 115.686 178.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -88.11 130.48 35.01 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 123.951 1.834 . . . . 28.739999999999998 114.057 172.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -123.62 127.43 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 105.84 -1.911 . . . . 38.299999999999997 105.84 175.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.92 -169.65 38.24 Favored Glycine 0 CA--C 1.533 1.175 0 O-C-N 118.749 -2.47 . . . . 37.780000000000001 113.021 -173.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 115.73 -162.93 12.38 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.525 -1.03 . . . . 35.979999999999997 110.525 174.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.13 99.38 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 113.975 -1.113 . . . . 34.689999999999998 111.167 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.07 72.59 0.8 Allowed 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 124.767 2.222 . . . . 36.990000000000002 114.051 169.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.73 134.39 57.04 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 111.507 -2.588 . . . . 28.309999999999999 111.131 172.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.46 164.86 28.98 Favored 'General case' 0 N--CA 1.445 -0.705 0 O-C-N 120.483 -1.385 . . . . 39.869999999999997 111.734 171.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 72.1 mt -121.1 119.65 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.962 0 N-CA-C 103.276 -2.861 . . . . 24.079999999999998 103.276 171.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -102.13 130.69 48.82 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 108.729 -0.841 . . . . 38.990000000000002 108.729 174.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 33.4 p -131.44 156.12 46.17 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 114.367 1.247 . . . . 18.629999999999999 114.367 -176.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -115.08 149.65 37.18 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 108.263 -1.014 . . . . 31.77 108.263 157.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -132.87 156.06 47.89 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-O 123.774 1.749 . . . . 20.690000000000001 112.205 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.2 mt -125.66 120.74 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 110.431 -3.077 . . . . 21.940000000000001 112.319 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 tp -108.08 116.23 31.58 Favored 'General case' 0 C--O 1.242 0.705 0 O-C-N 120.666 -1.271 . . . . 24.379999999999999 110.566 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 49.2 m -108.96 134.65 51.34 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-O 122.55 1.167 . . . . 19.399999999999999 111.592 175.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 15.4 m -102.24 147.54 26.53 Favored 'General case' 0 C--O 1.248 0.999 0 O-C-N 119.904 -1.747 . . . . 28.82 110.865 170.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.67 122.54 14.32 Favored Glycine 0 CA--C 1.534 1.226 0 N-CA-C 109.627 -1.389 . . . . 28.440000000000001 109.627 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 80.9 p -123.16 168.82 11.92 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 122.556 3.178 . . . . 26.82 109.363 -177.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 45.8 p -68.5 166.34 17.12 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.754 -1.202 . . . . 41.920000000000002 107.754 160.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.66 -26.19 64.27 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 116.968 2.21 . . . . 50.490000000000002 116.968 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.07 -33.58 69.2 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 122.174 0.988 . . . . 52.049999999999997 111.924 169.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -102.18 6.41 40.72 Favored 'General case' 0 N--CA 1.432 -1.36 0 C-N-CA 118.888 -1.125 . . . . 57.359999999999999 113.051 -172.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.65 -34.79 73.27 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 120.462 -0.495 . . . . 34.979999999999997 111.64 -171.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 -66.38 -18.79 65.56 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 118.653 -2.529 . . . . 51.890000000000001 114.292 -176.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -108.03 26.32 10.52 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-O 122.525 1.155 . . . . 37.25 111.146 176.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 90.0 p -82.68 -21.68 34.84 Favored 'General case' 0 C--O 1.253 1.289 0 O-C-N 116.957 -3.589 . . . . 25.129999999999999 117.229 -176.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 28.8 m -122.66 120.08 32.66 Favored 'General case' 0 C--O 1.257 1.5 0 CA-C-O 123.466 1.603 . . . . 18.469999999999999 113.816 -168.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 38.1 mt -93.72 151.56 19.55 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 114.011 -1.45 . . . . 22.920000000000002 110.696 170.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 9.5 p -123.99 144.7 32.83 Favored 'Isoleucine or valine' 0 C--O 1.26 1.633 0 C-N-CA 125.545 1.538 . . . . 19.02 109.713 174.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -163.66 -164.32 18.51 Favored Glycine 0 CA--C 1.499 -0.909 0 N-CA-C 110.146 -1.181 . . . . 19.43 110.146 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -145.73 155.53 43.02 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.248 -1.148 . . . . 33.130000000000003 111.232 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -145.29 141.61 28.73 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.854 1.206 . . . . 41.740000000000002 112.603 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 38.6 m -114.56 135.9 53.62 Favored 'General case' 0 CA--C 1.513 -0.464 0 O-C-N 119.916 -1.74 . . . . 32.18 111.919 166.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -112.97 140.76 47.51 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 123.702 0.801 . . . . 23.379999999999999 109.392 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 46.1 p -129.73 169.38 15.18 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.219 -0.926 . . . . 25.579999999999998 110.2 173.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' LYS . . . . . 0.663 ' HE2' ' O ' ' B' ' 331' ' ' HOH . 2.7 mmpt? -82.96 -7.58 59.65 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.393 1.257 . . . . 37.75 114.393 179.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 106.466 -1.679 . . . . 51.159999999999997 106.466 -172.651 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.063 . . . . . . . . 66.519999999999996 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 1' ' ' CYS . . . . . . . . . . . . . 41.9 t -163.12 71.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 1 N-CA-C 100.15 -4.019 . . . . 66.239999999999995 100.15 . -176.374 -47.534 116.614 111.988 2.025 100.775 166.023 100.551 2 2 . 1 . 001 ecloud build full ' P' P ' 2' ' ' HIS . . . . . 0.42 ' HA ' ' HD2' ' P' ' 3' ' ' PRO . 55.0 t-80 -75.77 136.81 70.25 Favored Pre-proline 0 C--O 1.255 1.348 0 N-CA-C 107.374 -1.343 . . . . 68.599999999999994 107.374 -171.379 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 3' ' ' PRO . . . . . 0.455 ' HG2' ' HB2' ' B' ' 86' ' ' ALA . 0.3 OUTLIER -18.24 -38.37 0.0 OUTLIER 'Trans proline' 0 N--CA 1.434 -2.006 1 C-N-CA 126.524 4.816 . . . . 63.270000000000003 117.38 159.07 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -68.53 -36.15 78.45 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 122.466 2.394 . . . . 53.640000000000001 114.478 -169.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 5' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -121.54 -31.73 3.96 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 112.925 -1.943 . . . . 71.609999999999999 111.312 -173.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.21 120.63 38.96 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-O 124.01 1.862 . . . . 64.489999999999995 107.801 177.086 100.551 166.023 116.614 100.775 2.025 111.988 -47.534 -176.374 2 2 . 1 . 001 ecloud build full ' P' P ' 7' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.686 0 O-C-N 119.148 -2.22 . . . . 61.329999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 274' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 293' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 298' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 331' ' ' HOH . . . . . 0.663 ' O ' ' HE2' ' B' ' 132' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 459' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 460' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 465' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 466' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 467' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 477' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 484' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 493' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 496' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 569' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 116.726 -1.607 . . . . 41.85 107.77 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 29.98 -82.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 127.98 2.512 . . . . 48.16 115.791 -172.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.28 75.76 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 120.061 1.3 . . . . 41.05 109.953 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.19 -38.23 76.35 Favored Glycine 0 CA--C 1.542 1.76 0 N-CA-C 116.217 1.247 . . . . 36.23 116.217 173.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 86.1 mt -78.44 -38.72 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 N-CA-C 109.639 -0.504 . . . . 26.39 109.639 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 17.6 m -60.7 129.26 40.63 Favored 'General case' 0 C--O 1.242 0.711 0 C-N-CA 123.159 0.583 . . . . 26.61 110.078 -175.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.76 -162.87 25.89 Favored Glycine 0 C--N 1.35 1.361 0 O-C-N 124.524 1.14 . . . . 23.37 114.553 -176.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -106.0 132.81 51.64 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 125.751 1.621 . . . . 23.28 112.237 -177.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -124.34 148.92 47.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 123.935 0.894 . . . . 22.15 110.104 -175.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -133.84 139.55 46.31 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 120.766 -1.209 . . . . 22.53 107.969 -174.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -104.21 -179.97 4.1 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.273 0.842 . . . . 31.68 113.273 169.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -62.13 -29.01 70.04 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.116 0.967 . . . . 52.03 111.75 -175.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -96.83 6.94 47.71 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 116.043 1.868 . . . . 63.39 116.043 -169.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.34 -1.68 58.96 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-N 123.36 2.8 . . . . 49.51 115.849 -175.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 15.1 m -85.87 151.93 23.39 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 122.559 3.179 . . . . 30.72 112.178 175.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . 0.45 ' OG1' HG22 ' B' ' 47' ' ' VAL . 16.7 m -130.37 133.52 46.46 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.005 0.922 . . . . 39.32 111.915 -176.829 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -126.07 153.48 44.4 Favored 'General case' 0 CA--C 1.5 -0.957 0 O-C-N 118.458 -2.651 . . . . 27.51 112.878 159.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.402 ' O ' ' HA3' ' B' ' 41' ' ' GLY . 4.2 mp -117.12 125.55 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 113.296 -1.775 . . . . 32.05 109.047 177.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -135.83 140.77 43.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-O 123.539 1.638 . . . . 22.42 113.738 -174.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 92.1 m -107.6 123.36 48.36 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-N 113.725 -1.58 . . . . 29.34 110.589 164.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.37 114.67 26.82 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 113.766 -1.561 . . . . 29.86 108.947 172.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.29 163.81 30.41 Favored Glycine 0 N--CA 1.442 -0.953 0 O-C-N 120.038 -1.664 . . . . 36.03 112.762 -177.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.4 80.13 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 114.038 1.125 . . . . 46.16 114.038 -169.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -101.91 45.77 0.95 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 118.493 2.775 . . . . 41.83 118.493 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.26 2.45 80.14 Favored Glycine 0 C--N 1.341 0.852 0 N-CA-C 115.65 1.02 . . . . 28.87 115.65 174.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.33 146.24 27.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 120.232 2.016 . . . . 24.04 112.862 -176.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' B' ' 60' ' ' TYR . 1.0 OUTLIER -127.91 120.02 26.82 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 105.65 -1.982 . . . . 29.0 105.65 176.348 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -135.72 150.53 49.57 Favored 'General case' 0 C--O 1.243 0.714 0 O-C-N 118.297 -2.752 . . . . 28.9 110.697 175.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' B' ' 30' ' ' ILE . . . 167.71 -148.78 13.33 Favored Glycine 0 C--O 1.257 1.538 0 CA-C-N 119.579 1.081 . . . . 20.59 113.311 174.073 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 39.3 p -138.81 143.58 38.96 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.616 -0.883 . . . . 27.04 108.616 -175.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -110.17 134.62 52.02 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 103.855 -2.646 . . . . 22.26 103.855 176.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -123.64 114.81 20.48 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 102.301 -3.222 . . . . 53.63 102.301 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.9 p -71.61 -19.49 62.12 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 114.731 1.382 . . . . 47.63 114.731 -175.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.14 122.69 16.21 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 107.854 -1.165 . . . . 53.43 107.854 170.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.45 HG22 ' OG1' ' B' ' 28' ' ' THR . 2.3 t -51.38 -31.22 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 125.635 1.834 . . . . 59.83 115.222 -173.438 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.77 -74.59 0.35 Allowed Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 119.777 -1.202 . . . . 61.03 111.773 174.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.43 135.63 33.57 Favored 'General case' 0 CA--C 1.491 -1.302 0 CA-C-O 124.846 2.26 . . . . 64.12 115.486 -151.602 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.58 -12.09 5.96 Favored 'General case' 0 N--CA 1.437 -1.092 1 CA-C-N 106.418 -4.901 . . . . 52.78 116.097 -178.226 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.77 ' HG2' ' ND2' ' B' ' 81' ' ' ASN . 1.4 tt0 -145.9 64.95 1.22 Allowed 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 121.515 3.894 . . . . 62.69 121.515 148.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.4 p -88.02 15.62 7.08 Favored 'General case' 0 CA--C 1.554 1.112 1 CA-C-N 104.301 -5.863 . . . . 37.11 108.543 132.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.717 ' H ' ' HA ' ' B' ' 51' ' ' GLU . 16.1 mtt180 -90.35 123.46 34.12 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.173 2.189 . . . . 37.68 116.61 179.899 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -133.5 145.7 50.4 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 119.602 -1.936 . . . . 22.81 106.753 -175.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 90.6 t -60.5 135.38 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 125.287 1.435 . . . . 21.85 114.548 171.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.59 148.48 43.28 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-O 123.956 1.836 . . . . 25.55 113.308 166.33 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 2.0 t -144.66 142.14 29.88 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 112.817 -1.992 . . . . 26.38 110.884 175.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.17 -166.4 25.13 Favored Glycine 0 C--O 1.25 1.105 0 O-C-N 120.916 -1.115 . . . . 20.71 112.843 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -141.71 154.53 45.37 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 108.434 -0.951 . . . . 19.9 108.434 -176.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' TYR . . . . . 0.434 ' CD1' HD13 ' B' ' 39' ' ' LEU . 24.4 p90 -135.5 152.34 51.24 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 120.045 -1.66 . . . . 25.18 108.439 169.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -106.84 100.2 9.72 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 125.929 2.776 . . . . 24.64 112.495 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -74.91 137.02 41.43 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 109.099 -3.682 . . . . 48.0 113.483 174.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.69 155.71 32.67 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 119.923 -1.735 . . . . 51.28 114.754 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -65.86 117.21 4.45 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.952 3.101 . . . . 50.2 113.543 167.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.39 130.42 55.56 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 119.223 -2.173 . . . . 53.14 109.295 -175.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.63 6.78 12.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.257 1.206 . . . . 55.82 114.257 177.943 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -141.41 20.23 2.22 Favored 'General case' 0 C--N 1.333 -0.11 0 O-C-N 120.656 -1.277 . . . . 61.47 113.496 -167.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.98 27.31 73.7 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 117.041 1.576 . . . . 60.23 117.041 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m -64.74 151.63 44.65 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 116.641 2.089 . . . . 49.7 116.641 168.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.47 168.48 53.88 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 110.8 -0.92 . . . . 31.89 110.8 168.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 54.4 m -104.79 116.07 31.39 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 117.298 -1.334 . . . . 22.71 108.909 175.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.24 139.2 52.17 Favored 'General case' 0 C--O 1.265 1.871 0 CA-C-N 120.734 1.607 . . . . 21.27 111.475 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 pp -153.14 167.04 30.6 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 126.769 2.028 . . . . 25.34 113.571 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -160.04 156.31 27.52 Favored Glycine 0 C--N 1.341 0.856 0 C-N-CA 125.159 1.362 . . . . 19.21 113.047 172.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -150.8 161.25 43.02 Favored 'General case' 0 C--O 1.261 1.67 0 CA-C-O 123.701 1.715 . . . . 18.01 110.864 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 32.1 m -122.15 139.58 53.57 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-N 114.234 -1.348 . . . . 18.78 111.48 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 74.9 t -123.32 122.1 64.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 N-CA-C 107.569 -1.271 . . . . 17.71 107.569 165.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.59 133.53 33.78 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-N 118.301 0.5 . . . . 21.36 109.977 164.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -88.24 64.38 7.62 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 126.225 2.917 . . . . 21.99 115.091 -170.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -141.22 133.14 27.57 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-N 112.646 -2.07 . . . . 40.94 110.735 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ASN . . . . . 0.77 ' ND2' ' HG2' ' B' ' 51' ' ' GLU . 50.7 p30 -151.19 -158.62 0.93 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 113.043 -1.89 . . . . 21.57 107.442 176.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -77.7 -9.0 58.75 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 119.928 3.307 . . . . 39.64 119.928 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' TYR . . . . . 0.416 ' CD1' ' HB3' ' B' ' 51' ' ' GLU . 76.8 m-85 -116.32 -16.5 10.9 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 112.853 -1.976 . . . . 45.16 113.749 -178.05 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 36.5 tpt85 -154.38 143.9 21.47 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 123.619 2.918 . . . . 29.73 106.218 -169.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -138.04 95.2 2.98 Favored 'General case' 0 C--O 1.253 1.239 0 CA-C-O 123.769 1.747 . . . . 21.1 107.487 169.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.455 ' HB2' ' HG2' ' P' ' 3' ' ' PRO . . . -81.91 -0.57 44.39 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 116.795 2.146 . . . . 21.31 116.795 -175.299 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.16 48.8 20.13 Favored 'General case' 0 C--O 1.25 1.117 0 CA-C-O 125.047 2.356 . . . . 30.3 114.514 179.104 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -161.55 163.11 30.35 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 112.065 -2.334 . . . . 18.94 114.037 -175.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.19 140.74 26.82 Favored 'General case' 0 C--O 1.254 1.336 0 C-N-CA 125.856 1.662 . . . . 20.41 109.152 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 79.4 m -114.26 139.46 49.39 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.631 -1.293 . . . . 17.06 112.437 171.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 43.3 p -113.7 134.41 54.76 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 123.596 0.758 . . . . 19.48 112.302 168.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' TRP . . . . . . . . . . . . . 12.9 m-90 -113.51 132.03 55.84 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 105.515 -2.031 . . . . 18.62 105.515 178.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 38.6 t -120.0 130.93 54.96 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.143 0.577 . . . . 19.06 112.187 176.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.19 -154.85 13.07 Favored Glycine 0 C--O 1.243 0.672 0 O-C-N 118.351 -2.718 . . . . 19.08 112.88 -176.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -145.77 144.46 30.32 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 115.686 1.735 . . . . 27.28 115.686 178.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -88.11 130.48 35.01 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 123.951 1.834 . . . . 28.74 114.057 172.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -123.62 127.43 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 105.84 -1.911 . . . . 38.3 105.84 175.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.92 -169.65 38.24 Favored Glycine 0 CA--C 1.533 1.175 0 O-C-N 118.749 -2.47 . . . . 37.78 113.021 -173.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 115.73 -162.93 12.38 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.525 -1.03 . . . . 35.98 110.525 174.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.13 99.38 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 113.975 -1.113 . . . . 34.69 111.167 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.07 72.59 0.8 Allowed 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 124.767 2.222 . . . . 36.99 114.051 169.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.73 134.39 57.04 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 111.507 -2.588 . . . . 28.31 111.131 172.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.46 164.86 28.98 Favored 'General case' 0 N--CA 1.445 -0.705 0 O-C-N 120.483 -1.385 . . . . 39.87 111.734 171.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 72.1 mt -121.1 119.65 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.962 0 N-CA-C 103.276 -2.861 . . . . 24.08 103.276 171.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -102.13 130.69 48.82 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 108.729 -0.841 . . . . 38.99 108.729 174.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 33.4 p -131.44 156.12 46.17 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 114.367 1.247 . . . . 18.63 114.367 -176.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -115.08 149.65 37.18 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 108.263 -1.014 . . . . 31.77 108.263 157.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -132.87 156.06 47.89 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-O 123.774 1.749 . . . . 20.69 112.205 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.2 mt -125.66 120.74 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 110.431 -3.077 . . . . 21.94 112.319 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 tp -108.08 116.23 31.58 Favored 'General case' 0 C--O 1.242 0.705 0 O-C-N 120.666 -1.271 . . . . 24.38 110.566 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 49.2 m -108.96 134.65 51.34 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-O 122.55 1.167 . . . . 19.4 111.592 175.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 15.4 m -102.24 147.54 26.53 Favored 'General case' 0 C--O 1.248 0.999 0 O-C-N 119.904 -1.747 . . . . 28.82 110.865 170.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.67 122.54 14.32 Favored Glycine 0 CA--C 1.534 1.226 0 N-CA-C 109.627 -1.389 . . . . 28.44 109.627 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 80.9 p -123.16 168.82 11.92 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 122.556 3.178 . . . . 26.82 109.363 -177.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 45.8 p -68.5 166.34 17.12 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.754 -1.202 . . . . 41.92 107.754 160.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.66 -26.19 64.27 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 116.968 2.21 . . . . 50.49 116.968 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.07 -33.58 69.2 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 122.174 0.988 . . . . 52.05 111.924 169.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -102.18 6.41 40.72 Favored 'General case' 0 N--CA 1.432 -1.36 0 C-N-CA 118.888 -1.125 . . . . 57.36 113.051 -172.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.65 -34.79 73.27 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 120.462 -0.495 . . . . 34.98 111.64 -171.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 -66.38 -18.79 65.56 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 118.653 -2.529 . . . . 51.89 114.292 -176.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -108.03 26.32 10.52 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-O 122.525 1.155 . . . . 37.25 111.146 176.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 90.0 p -82.68 -21.68 34.84 Favored 'General case' 0 C--O 1.253 1.289 0 O-C-N 116.957 -3.589 . . . . 25.13 117.229 -176.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 28.8 m -122.66 120.08 32.66 Favored 'General case' 0 C--O 1.257 1.5 0 CA-C-O 123.466 1.603 . . . . 18.47 113.816 -168.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 38.1 mt -93.72 151.56 19.55 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 114.011 -1.45 . . . . 22.92 110.696 170.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 9.5 p -123.99 144.7 32.83 Favored 'Isoleucine or valine' 0 C--O 1.26 1.633 0 C-N-CA 125.545 1.538 . . . . 19.02 109.713 174.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -163.66 -164.32 18.51 Favored Glycine 0 CA--C 1.499 -0.909 0 N-CA-C 110.146 -1.181 . . . . 19.43 110.146 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -145.73 155.53 43.02 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.248 -1.148 . . . . 33.13 111.232 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -145.29 141.61 28.73 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.854 1.206 . . . . 41.74 112.603 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 38.6 m -114.56 135.9 53.62 Favored 'General case' 0 CA--C 1.513 -0.464 0 O-C-N 119.916 -1.74 . . . . 32.18 111.919 166.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -112.97 140.76 47.51 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 123.702 0.801 . . . . 23.38 109.392 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 46.1 p -129.73 169.38 15.18 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.219 -0.926 . . . . 25.58 110.2 173.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.663 ' HE2' ' O ' ' B' ' 331' ' ' HOH . 2.7 mmpt? -82.96 -7.58 59.65 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.393 1.257 . . . . 37.75 114.393 179.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 106.466 -1.679 . . . . 51.16 106.466 -172.651 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.063 . . . . . . . . 66.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 1' ' ' CYS . . . . . . . . . . . . . 41.9 t -163.12 71.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 1 N-CA-C 100.15 -4.019 . . . . 66.24 100.15 . -176.374 -47.534 116.614 111.988 2.025 100.775 166.023 100.551 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 2' ' ' HIS . . . . . 0.42 ' HA ' ' HD2' ' P' ' 3' ' ' PRO . 55.0 t-80 -75.77 136.81 70.25 Favored Pre-proline 0 C--O 1.255 1.348 0 N-CA-C 107.374 -1.343 . . . . 68.6 107.374 -171.379 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 3' ' ' PRO . . . . . 0.455 ' HG2' ' HB2' ' B' ' 86' ' ' ALA . 0.3 OUTLIER -18.24 -38.37 0.0 OUTLIER 'Trans proline' 0 N--CA 1.434 -2.006 1 C-N-CA 126.524 4.816 . . . . 63.27 117.38 159.07 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -68.53 -36.15 78.45 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 122.466 2.394 . . . . 53.64 114.478 -169.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 5' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -121.54 -31.73 3.96 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 112.925 -1.943 . . . . 71.61 111.312 -173.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.21 120.63 38.96 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-O 124.01 1.862 . . . . 64.49 107.801 177.086 100.551 166.023 116.614 100.775 2.025 111.988 -47.534 -176.374 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 7' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.686 0 O-C-N 119.148 -2.22 . . . . 61.33 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 274' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 293' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 298' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 331' ' ' HOH . . . . . 0.663 ' O ' ' HE2' ' B' ' 132' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 459' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 460' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 465' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 466' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 467' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 477' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 484' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 493' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 496' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 569' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_