data_5gu2_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 5gu2 _Structure_validation_residue.Date_analyzed 2017-03-24 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 ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.502 -0.925 . . . . 87.9 108.502 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -92.65 -20.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.357 -0.838 . . . . 44.47 112.25 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 5' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -64.15 130.16 42.86 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 120.133 -0.627 . . . . 38.86 111.015 -166.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 6' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -154.6 123.59 6.29 Favored 'General case' 0 C--O 1.252 1.212 0 CA-C-O 121.582 0.706 . . . . 44.3 109.535 -175.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 t30 57.85 33.55 23.34 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 114.703 -1.135 . . . . 39.83 112.846 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -119.79 101.17 7.7 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 124.195 0.934 . . . . 35.99 112.182 -177.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -74.91 156.69 36.1 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 118.859 -1.136 . . . . 34.7 112.161 -169.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 10' ' ' THR . . . . . . . . . . . . . 73.1 p -63.06 -27.84 69.68 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.083 0.468 . . . . 41.27 111.63 173.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 11' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -72.95 -42.72 63.12 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.409 -0.807 . . . . 59.0 109.394 179.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 42.2 t -62.4 -48.47 88.18 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.652 0 C-N-CA 120.333 -0.547 . . . . 32.64 110.102 175.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 13' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -51.1 -52.98 38.39 Favored 'General case' 0 N--CA 1.427 -1.62 0 C-N-CA 124.369 1.068 . . . . 37.56 113.359 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.91 -46.49 78.41 Favored 'General case' 0 C--O 1.257 1.463 0 N-CA-C 115.838 1.792 . . . . 32.19 115.838 172.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.07 -34.65 78.55 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-N 115.215 -0.902 . . . . 29.73 111.786 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.52 -45.4 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 108.616 -0.883 . . . . 27.53 108.616 174.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 17' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -60.96 -40.24 92.62 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 119.256 -0.978 . . . . 30.26 112.687 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . . . -63.47 -47.75 80.52 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.448 0.166 . . . . 30.51 110.764 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 19.6 tp -59.13 -38.37 79.48 Favored 'General case' 0 C--O 1.2 -1.521 0 C-N-CA 119.634 -0.826 . . . . 40.33 111.278 177.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.95 -45.96 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.406 -0.809 . . . . 29.78 111.242 172.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -60.82 -41.46 95.76 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 115.909 -0.587 . . . . 35.96 111.26 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 22' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.47 -44.98 92.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 112.851 0.686 . . . . 43.46 112.851 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -58.13 -45.03 88.02 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 115.226 1.565 . . . . 32.69 115.226 172.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 24' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.87 -37.37 84.3 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 119.664 -0.815 . . . . 29.99 111.847 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 25' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -60.62 -46.52 89.97 Favored 'General case' 0 C--O 1.199 -1.574 0 C-N-CA 120.424 -0.51 . . . . 82.15 111.932 174.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.74 -48.14 78.47 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 123.406 0.682 . . . . 24.52 111.333 174.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 27' ' ' SER . . . . . . . . . . . . . 28.1 t -50.98 -45.18 60.89 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.17 0.588 . . . . 29.89 111.417 174.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 28' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.16 -41.0 77.82 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 122.17 0.986 . . . . 28.18 112.263 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 75.7 m -53.4 -48.09 68.97 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 115.122 1.527 . . . . 27.47 115.122 169.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 30' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -64.99 -36.3 83.95 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.979 1.103 . . . . 31.95 113.979 179.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 31' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.25 -47.71 75.03 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.601 -0.889 . . . . 31.29 108.601 172.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -68.4 -36.68 79.47 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 120.982 -0.287 . . . . 27.0 110.957 -178.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.78 -43.75 97.99 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.23 -0.588 . . . . 26.93 111.497 176.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.5 -49.04 81.17 Favored Glycine 0 CA--C 1.498 -1.001 0 CA-C-N 116.243 -0.435 . . . . 28.55 113.272 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 35' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -70.43 -27.27 64.13 Favored 'General case' 0 C--O 1.206 -1.225 0 C-N-CA 118.491 -1.284 . . . . 35.84 113.837 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 36' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -60.07 -46.8 88.37 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.056 0.844 . . . . 28.16 109.567 173.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 37' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.96 -16.45 63.2 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 115.805 1.78 . . . . 29.8 115.805 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -83.45 -6.12 59.36 Favored 'General case' 0 CA--C 1.572 1.805 0 C-N-CA 124.886 1.275 . . . . 37.01 112.046 170.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -61.83 145.57 52.26 Favored 'General case' 0 CA--C 1.491 -1.307 0 O-C-N 120.999 -1.063 . . . . 57.64 108.305 178.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -62.92 -26.37 68.77 Favored 'General case' 0 C--O 1.258 1.522 0 CA-C-N 115.356 -0.838 . . . . 38.91 113.035 -179.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 41' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -93.16 10.21 32.69 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 115.586 1.698 . . . . 31.62 115.586 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 42' ' ' VAL . . . . . . . . . . . . . 89.9 t -125.31 -60.41 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 N-CA-C 104.776 -2.305 . . . . 29.74 104.776 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 43' ' ' ALA . . . . . . . . . . . . . . . 57.34 58.47 3.84 Favored 'General case' 0 C--O 1.266 1.962 0 N-CA-C 114.867 1.432 . . . . 26.67 114.867 164.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -127.41 86.03 2.44 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.863 -1.162 . . . . 29.86 107.863 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 45' ' ' CYS . . . . . . . . . . . . . 44.4 t -57.16 -47.26 81.62 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 114.199 -1.364 . . . . 41.47 109.769 -167.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.73 -35.47 91.28 Favored Glycine 0 CA--C 1.547 2.051 0 C-N-CA 119.697 -1.239 . . . . 27.81 111.804 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 47' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.22 -46.01 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 CA-C-N 118.771 1.285 . . . . 29.43 108.963 -177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 48' ' ' CYS . . . . . 0.759 ' SG ' 'AU ' ' X' ' 207' ' ' ' AU' . 7.4 t -50.03 -46.68 53.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.315 1.446 . . . . 40.06 110.036 171.926 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 49' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -71.47 -38.83 71.23 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 120.781 -1.199 . . . . 69.33 108.915 -174.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -59.0 -48.19 82.49 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.567 0.699 . . . . 34.83 111.426 175.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 51' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -72.43 -38.14 68.41 Favored 'General case' 0 C--O 1.255 1.376 0 C-N-CA 118.619 -1.232 . . . . 28.03 113.295 -177.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 52' ' ' CYS . . . . . 0.75 ' SG ' 'AU ' ' X' ' 205' ' ' ' AU' . 10.4 t -66.23 -37.89 86.6 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 122.784 1.278 . . . . 41.58 112.097 175.021 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 53' ' ' GLU . . . . . . . . . . . . . . . -57.18 -43.64 82.81 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.389 -0.819 . . . . 28.66 111.985 173.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -36.1 82.57 Favored 'General case' 0 C--O 1.196 -1.748 0 N-CA-C 114.194 1.183 . . . . 42.51 114.194 174.638 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.04 88.77 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 122.855 1.312 . . . . 27.47 108.501 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . . . -63.09 -44.92 94.36 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-O 117.699 -1.143 . . . . 26.48 113.173 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 57' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -59.69 -44.61 93.59 Favored 'General case' 0 C--O 1.19 -2.054 0 O-C-N 123.9 0.75 . . . . 78.91 112.078 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 58' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' X' ' 303' ' ' HOH . 42.7 mmtt -59.98 -43.15 95.32 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 113.04 0.756 . . . . 36.3 113.04 174.778 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 59' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -63.85 -38.26 90.44 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.283 -0.885 . . . . 41.82 108.738 176.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 60' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -64.58 -42.37 95.65 Favored 'General case' 0 C--O 1.195 -1.766 0 CA-C-O 118.487 -0.768 . . . . 51.19 110.991 -177.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.63 -52.1 15.74 Favored Glycine 0 CA--C 1.553 2.419 0 O-C-N 125.165 1.541 . . . . 26.49 113.463 168.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.65 94.69 Favored 'General case' 0 N--CA 1.417 -2.076 0 N-CA-C 113.026 0.75 . . . . 27.47 113.026 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 63' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -62.69 -38.6 91.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.928 1.084 . . . . 49.34 113.928 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 64' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -63.97 -43.27 96.25 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 112.655 0.613 . . . . 87.03 112.655 173.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.39 -43.5 88.55 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 118.76 -0.638 . . . . 30.39 110.688 172.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 66' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.35 -42.13 96.4 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 122.453 1.12 . . . . 26.36 112.595 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 67' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -59.79 -42.88 94.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.177 -0.92 . . . . 66.87 109.584 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 68' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -65.33 -42.86 92.51 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 121.307 0.575 . . . . 36.67 111.003 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -49.2 -54.65 15.58 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 109.235 -0.654 . . . . 33.17 109.235 174.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 70' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -61.1 -38.64 87.05 Favored 'General case' 0 C--O 1.275 2.401 0 N-CA-C 113.851 1.056 . . . . 30.49 113.851 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 71' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -63.07 -34.21 77.09 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 119.086 -1.046 . . . . 53.99 111.172 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 72' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -88.18 -4.84 58.68 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 113.17 0.804 . . . . 34.12 113.17 -179.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.19 13.18 69.14 Favored Glycine 0 C--O 1.211 -1.321 0 CA-C-O 119.432 -0.649 . . . . 33.04 111.55 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.38 173.29 53.16 Favored Glycine 0 C--O 1.263 1.933 0 CA-C-N 118.512 1.156 . . . . 35.97 113.939 166.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 75' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -118.71 121.43 40.09 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.109 -1.441 . . . . 48.17 107.109 -174.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.3 135.73 50.85 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 107.682 -1.229 . . . . 31.92 107.682 179.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 77' ' ' LEU . . . . . . . . . . . . . 24.4 mt -133.86 128.76 35.33 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 105.141 -2.17 . . . . 47.12 105.141 177.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 78' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -105.57 140.25 38.93 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 123.956 0.785 . . . . 36.45 110.257 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 79' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -115.09 166.76 11.46 Favored 'General case' 0 CA--C 1.476 -1.873 0 CA-C-N 115.485 -0.779 . . . . 72.29 109.743 172.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 80' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -43.32 138.9 2.15 Favored 'General case' 0 C--O 1.268 2.07 0 CA-C-N 114.704 -1.134 . . . . 37.92 112.754 166.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt -91.76 113.01 25.16 Favored 'General case' 0 CA--C 1.465 -2.31 0 CA-C-N 115.532 -0.758 . . . . 40.56 110.123 162.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.36 132.46 50.2 Favored 'General case' 1 N--CA 1.364 -4.726 0 O-C-N 124.902 1.376 . . . . 89.92 109.724 173.872 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 83' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -55.59 151.3 21.88 Favored Pre-proline 0 N--CA 1.419 -1.987 0 CA-C-N 113.576 -1.647 . . . . 68.71 111.664 173.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 84' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.57 156.02 39.08 Favored 'Trans proline' 0 C--O 1.195 -1.648 0 C-N-CA 120.416 0.744 . . . . 33.26 113.164 -179.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 85' ' ' SER . . . . . . . . . . . . . 98.9 p -67.15 -19.32 65.58 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.103 1.52 . . . . 44.36 115.103 -172.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 86' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -137.43 153.8 50.06 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-O 121.686 0.755 . . . . 64.38 110.557 178.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 87' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.88 -27.08 17.33 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 123.832 0.853 . . . . 42.15 111.596 172.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 88' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -134.13 138.5 45.26 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 105.679 -1.971 . . . . 55.38 105.679 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 89' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -110.67 8.5 22.69 Favored 'General case' 0 C--O 1.251 1.162 0 N-CA-C 115.537 1.68 . . . . 30.31 115.537 -166.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.68 -135.34 26.68 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 122.078 0.821 . . . . 30.4 114.716 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 91' ' ' THR . . . . . . . . . . . . . 16.2 p -85.07 170.63 12.76 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.944 0.878 . . . . 32.96 111.854 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 92' ' ' THR . . . . . . . . . . . . . 68.2 m -60.27 -41.43 93.29 Favored 'General case' 0 C--O 1.203 -1.353 0 N-CA-C 107.935 -1.135 . . . . 30.74 107.935 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 93' ' ' LEU . . . . . . . . . . . . . 42.1 tp -52.95 -49.3 66.35 Favored 'General case' 0 CA--C 1.584 2.251 0 C-N-CA 124.191 0.996 . . . . 42.25 112.78 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 94' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -64.02 -46.37 84.78 Favored 'General case' 0 C--O 1.205 -1.246 0 C-N-CA 124.041 0.937 . . . . 34.33 108.753 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.13 -45.16 95.8 Favored 'General case' 0 N--CA 1.42 -1.931 0 O-C-N 124.322 1.014 . . . . 29.05 112.178 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 96' ' ' MET . . . . . 0.989 ' CE ' 'AU ' ' X' ' 204' ' ' ' AU' . 12.6 tpp -67.77 -32.2 72.62 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 118.898 -0.572 . . . . 37.77 112.033 178.443 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -65.41 -46.57 79.47 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 122.298 1.047 . . . . 72.28 110.365 172.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.84 95.67 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 119.283 -0.967 . . . . 31.93 110.561 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.69 -41.98 82.73 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 115.264 1.579 . . . . 27.6 115.264 172.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 100' ' ' ILE . . . . . . . . . . . . . 6.7 tt -75.52 -36.0 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 C-N-CA 118.797 -1.161 . . . . 48.06 112.13 -176.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 101' ' ' VAL . . . . . . . . . . . . 0.421 2.0 m -59.89 -39.46 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.457 -0.777 . . . . 40.86 111.73 169.395 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 102' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.65 -48.0 81.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.311 0.577 . . . . 40.8 109.885 174.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 103' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -62.13 -40.36 95.68 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 116.999 -1.88 . . . . 33.81 114.512 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 104' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -61.2 -36.55 80.19 Favored 'General case' 0 C--N 1.316 -0.886 0 O-C-N 123.194 0.309 . . . . 72.9 111.426 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 105' ' ' SER . . . . . . . . . . . . . 36.4 p -66.93 -39.92 87.46 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-O 118.016 -0.993 . . . . 46.77 112.674 174.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 106' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.4 -41.17 96.79 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 119.36 0.982 . . . . 41.66 111.785 174.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 107' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -61.73 -42.91 99.58 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.879 -0.601 . . . . 32.3 112.274 178.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 108' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' X' ' 302' ' ' HOH . 11.5 tp-100 -60.97 -44.17 97.73 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 116.336 -0.393 . . . . 40.81 111.091 175.488 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.95 92.07 Favored 'General case' 0 C--O 1.269 2.114 0 C-N-CA 119.109 -1.036 . . . . 31.71 111.285 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 110' ' ' LEU . . . . . . . . . . . . . 57.7 mt -59.94 -46.41 89.49 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 118.815 -1.154 . . . . 36.4 111.457 175.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 111' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.19 -40.15 95.49 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 113.224 0.824 . . . . 39.64 113.224 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 112' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.11 -37.69 80.75 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 119.97 1.259 . . . . 36.49 110.6 173.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 113' ' ' LEU . . . . . . . . . . . . . 34.4 tp -68.68 -41.94 78.53 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-O 118.433 -0.794 . . . . 40.58 112.526 178.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 114' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -57.16 -45.05 83.94 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 123.68 0.612 . . . . 79.69 110.173 172.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.89 98.42 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 119.229 0.922 . . . . 46.83 111.026 -176.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 116' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.78 -42.54 89.23 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 115.005 -0.998 . . . . 45.82 112.776 172.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 117' ' ' GLY . . . . . . . . . . . . . . . -65.09 -37.73 94.5 Favored Glycine 0 N--CA 1.482 1.725 0 N-CA-C 114.743 0.657 . . . . 49.24 114.743 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 118' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -52.75 63.58 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.409 0.892 . . . . 68.62 113.409 168.785 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.11 -34.52 66.12 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.999 0.818 . . . . 55.99 112.261 175.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 120' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -86.39 -5.2 59.22 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 113.249 0.833 . . . . 60.7 113.249 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 121' ' ' ALA . . . . . . . . . . . . . . . 58.08 58.56 3.49 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 121.529 -0.732 . . . . 53.76 111.671 -175.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 122' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -122.25 81.56 45.1 Favored Pre-proline 0 N--CA 1.491 1.582 0 CA-C-O 122.545 1.164 . . . . 43.92 108.05 -175.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 123' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -69.0 -30.1 26.39 Favored 'Trans proline' 0 C--N 1.32 -0.945 0 CA-C-O 117.444 -1.148 . . . . 49.27 114.013 -175.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 124' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -57.68 -46.25 84.54 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 118.482 -1.287 . . . . 50.08 111.208 173.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -47.04 82.12 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.897 0.38 . . . . 46.54 111.501 178.315 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 126' ' ' CYS . . . . . . . . . . . . . 71.8 m -57.0 -50.52 72.47 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 115.568 -0.742 . . . . 86.03 112.451 175.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 127' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -54.26 -52.22 62.04 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 109.035 -0.728 . . . . 65.67 109.035 172.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 128' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -49.5 -51.76 34.06 Favored 'General case' 0 C--O 1.253 1.267 0 N-CA-C 114.92 1.452 . . . . 43.1 114.92 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 129' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.99 -36.62 82.59 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 119.871 -0.732 . . . . 50.47 110.645 -177.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 130' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -67.38 -49.48 63.74 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 122.198 0.999 . . . . 74.11 112.803 -175.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 131' ' ' SER . . . . . . . . . . . . . . . -57.51 -45.12 85.33 Favored 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 112.492 -2.14 . . . . 64.81 112.446 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 132' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -115.36 -9.08 12.21 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 119.755 3.243 . . . . 89.94 119.755 -166.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 133' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -131.08 -51.45 1.03 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 118.847 -0.596 . . . . 39.33 112.588 -166.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 134' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -48.71 66.02 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.758 0.661 . . . . 52.73 110.008 -164.202 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 135' ' ' ASP . . . . . . . . . . . . . . . -66.09 -46.45 77.61 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 125.366 1.666 . . . . 37.55 109.429 -177.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -40.79 90.81 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 114.208 1.188 . . . . 96.39 114.208 178.042 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 137' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -69.88 -39.36 76.34 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 108.684 -0.858 . . . . 36.33 108.684 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 138' ' ' VAL . . . . . . . . . . . . . 5.9 t -61.99 -44.58 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 C-N-CA 117.916 -1.514 . . . . 34.66 114.337 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -48.35 77.11 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 125.182 1.393 . . . . 73.69 109.587 175.276 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 140' ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.56 -47.59 80.93 Favored 'General case' 0 C--O 1.259 1.588 0 CA-C-O 123.132 1.444 . . . . 33.54 112.489 -177.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 141' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.61 -38.57 76.23 Favored 'Isoleucine or valine' 0 C--O 1.255 1.352 0 N-CA-C 114.05 1.13 . . . . 29.19 114.05 174.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 142' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -65.05 -44.52 88.79 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.33 -0.548 . . . . 29.56 109.875 176.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 143' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -57.15 -42.98 82.02 Favored 'General case' 0 C--O 1.255 1.376 0 N-CA-C 114.108 1.151 . . . . 74.28 114.108 173.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 144' ' ' MET . . . . . . . . . . . . . 57.2 mtt -68.28 -36.33 79.21 Favored 'General case' 0 C--O 1.208 -1.083 0 N-CA-C 113.089 0.774 . . . . 37.43 113.089 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 145' ' ' GLY . . . . . . . . . . . . . . . -60.9 -45.33 96.75 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 120.561 -0.828 . . . . 29.0 111.199 173.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 146' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -57.59 -48.96 77.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.028 -0.73 . . . . 32.47 109.028 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 147' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -60.77 -43.94 97.39 Favored 'General case' 0 CA--C 1.486 -1.495 0 O-C-N 123.588 0.555 . . . . 37.69 112.479 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 148' ' ' LEU . . . . . . . . . . . . . 8.6 tp -60.46 -39.97 89.52 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 118.705 -1.198 . . . . 44.73 111.892 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 149' ' ' THR . . . . . . . . . . . . . 8.9 m -66.3 -41.22 90.04 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 107.936 -1.135 . . . . 29.87 107.936 -179.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 150' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -69.58 -40.06 76.95 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.221 -1.549 . . . . 29.04 114.75 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 151' ' ' ILE . . . . . . . . . . . . . 21.6 mt -56.15 -45.89 80.93 Favored 'Isoleucine or valine' 0 C--O 1.248 0.976 0 C-N-CA 119.904 -0.718 . . . . 33.55 110.107 172.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 152' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -66.99 -39.77 87.23 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-O 121.986 0.898 . . . . 73.13 111.16 -174.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 153' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -58.68 -35.34 72.45 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 114.637 -1.165 . . . . 43.97 112.702 175.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 154' ' ' LEU . . . . . . . . . . . . . 62.6 mt -82.68 -7.52 59.65 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 117.597 2.443 . . . . 44.54 117.597 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 155' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.08 -73.06 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.589 0 CA-C-N 119.07 0.85 . . . . 76.47 109.212 179.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 156' ' ' GLY . . . . . . . . . . . . . . . 37.3 -128.95 1.27 Allowed Glycine 0 CA--C 1.545 1.945 0 C-N-CA 119.494 -1.336 . . . . 69.88 115.38 -177.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 157' ' ' SER . . . . . . . . . . . . . . . -89.13 -34.96 16.54 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.236 0.828 . . . . 82.83 113.236 -173.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 158' ' ' GLN . . . . . . . . . . . . . . . -108.63 81.97 1.54 Allowed 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 125.739 1.616 . . . . 72.69 110.649 -175.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.01 -42.98 59.55 Favored 'General case' 0 C--O 1.195 -1.764 0 C-N-CA 123.409 0.684 . . . . 54.32 111.517 -169.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 160' ' ' GLY . . . . . . . . . . . . . . . -59.04 -47.7 89.5 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 109.875 -1.29 . . . . 34.89 109.875 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 161' ' ' LEU . . . . . . . . . . . . . 61.5 tp -57.77 -47.56 82.16 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 122.741 0.416 . . . . 45.49 111.405 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 162' ' ' GLY . . . . . . . . . . . . . . . -63.03 -40.67 99.56 Favored Glycine 0 C--O 1.201 -1.961 0 CA-C-O 122.392 0.995 . . . . 31.75 111.943 -179.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 163' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -66.91 -41.54 86.94 Favored 'General case' 0 C--O 1.278 2.567 0 O-C-N 121.445 -1.032 . . . . 39.68 111.521 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 164' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -59.73 -50.72 72.72 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 113.948 1.092 . . . . 29.9 113.948 172.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 165' ' ' LEU . . . . . . . . . . . . . 39.5 mt -57.57 -42.46 83.14 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 114.108 1.151 . . . . 35.82 114.108 -178.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 166' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -62.39 -43.74 98.11 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.579 -0.737 . . . . 32.41 109.252 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 167' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -68.07 -36.49 79.92 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-N 115.198 -0.91 . . . . 28.81 109.822 -178.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 168' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -78.16 -36.77 47.16 Favored 'General case' 0 C--O 1.201 -1.472 0 C-N-CA 118.324 -1.351 . . . . 31.81 114.398 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 169' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.31 -17.48 14.81 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 119.154 -1.018 . . . . 32.97 113.703 -168.734 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 170' ' ' THR . . . . . . . . . . . . . 28.1 m -107.28 -47.12 3.73 Favored 'General case' 0 C--O 1.191 -2.002 0 CA-C-O 118.035 -0.983 . . . . 30.76 113.549 174.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 171' ' ' LEU . . . . . . . . . . . . . 61.2 mt . . . . . 0 CA--C 1.565 1.551 0 N-CA-C 117.588 2.44 . . . . 40.08 117.588 -171.109 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 201' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 202' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 203' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 204' ' ' ' AU' . . . . . 0.989 'AU ' ' CE ' ' X' ' 96' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 205' ' ' ' AU' . . . . . 0.75 'AU ' ' SG ' ' X' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 206' ' ' ' AU' . . . . . 0.62 'AU ' ' SG ' ' X' ' 48' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 207' ' ' ' AU' . . . . . 0.759 'AU ' ' SG ' ' X' ' 48' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 208' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 209' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 210' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 211' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 212' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 213' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 214' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 215' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 216' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 217' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 218' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 219' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 302' ' ' HOH . . . . . 0.574 ' O ' ' NE2' ' X' ' 108' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 303' ' ' HOH . . . . . 0.54 ' O ' ' NZ ' ' X' ' 58' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.502 -0.925 . . . . 87.9 108.502 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -92.65 -20.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.357 -0.838 . . . . 44.47 112.25 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 5' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -64.15 130.16 42.86 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 120.133 -0.627 . . . . 38.86 111.015 -166.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 6' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -154.6 123.59 6.29 Favored 'General case' 0 C--O 1.252 1.212 0 CA-C-O 121.582 0.706 . . . . 44.3 109.535 -175.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 t30 57.85 33.55 23.34 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 114.703 -1.135 . . . . 39.83 112.846 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -119.79 101.17 7.7 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 124.195 0.934 . . . . 35.99 112.182 -177.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -74.91 156.69 36.1 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 118.859 -1.136 . . . . 34.7 112.161 -169.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 10' ' ' THR . . . . . . . . . . . . . 73.1 p -63.06 -27.84 69.68 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.083 0.468 . . . . 41.27 111.63 173.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 11' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -72.95 -42.72 63.12 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.409 -0.807 . . . . 59.0 109.394 179.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 42.2 t -62.4 -48.47 88.18 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.652 0 C-N-CA 120.333 -0.547 . . . . 32.64 110.102 175.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 13' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -51.1 -52.98 38.39 Favored 'General case' 0 N--CA 1.427 -1.62 0 C-N-CA 124.369 1.068 . . . . 37.56 113.359 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.91 -46.49 78.41 Favored 'General case' 0 C--O 1.257 1.463 0 N-CA-C 115.838 1.792 . . . . 32.19 115.838 172.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.07 -34.65 78.55 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-N 115.215 -0.902 . . . . 29.73 111.786 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.52 -45.4 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 108.616 -0.883 . . . . 27.53 108.616 174.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 17' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -60.96 -40.24 92.62 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 119.256 -0.978 . . . . 30.26 112.687 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . . . -63.47 -47.75 80.52 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.448 0.166 . . . . 30.51 110.764 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 19.6 tp -59.13 -38.37 79.48 Favored 'General case' 0 C--O 1.2 -1.521 0 C-N-CA 119.634 -0.826 . . . . 40.33 111.278 177.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.95 -45.96 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.406 -0.809 . . . . 29.78 111.242 172.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -60.82 -41.46 95.76 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 115.909 -0.587 . . . . 35.96 111.26 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 22' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.47 -44.98 92.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 112.851 0.686 . . . . 43.46 112.851 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -58.13 -45.03 88.02 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 115.226 1.565 . . . . 32.69 115.226 172.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 24' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.87 -37.37 84.3 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 119.664 -0.815 . . . . 29.99 111.847 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 25' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -60.62 -46.52 89.97 Favored 'General case' 0 C--O 1.199 -1.574 0 C-N-CA 120.424 -0.51 . . . . 82.15 111.932 174.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.74 -48.14 78.47 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 123.406 0.682 . . . . 24.52 111.333 174.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 27' ' ' SER . . . . . . . . . . . . . 28.1 t -50.98 -45.18 60.89 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.17 0.588 . . . . 29.89 111.417 174.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 28' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.16 -41.0 77.82 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 122.17 0.986 . . . . 28.18 112.263 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 75.7 m -53.4 -48.09 68.97 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 115.122 1.527 . . . . 27.47 115.122 169.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 30' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -64.99 -36.3 83.95 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.979 1.103 . . . . 31.95 113.979 179.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 31' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.25 -47.71 75.03 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.601 -0.889 . . . . 31.29 108.601 172.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -68.4 -36.68 79.47 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 120.982 -0.287 . . . . 27.0 110.957 -178.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.78 -43.75 97.99 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.23 -0.588 . . . . 26.93 111.497 176.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.5 -49.04 81.17 Favored Glycine 0 CA--C 1.498 -1.001 0 CA-C-N 116.243 -0.435 . . . . 28.55 113.272 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 35' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -70.43 -27.27 64.13 Favored 'General case' 0 C--O 1.206 -1.225 0 C-N-CA 118.491 -1.284 . . . . 35.84 113.837 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 36' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -60.07 -46.8 88.37 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.056 0.844 . . . . 28.16 109.567 173.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 37' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.96 -16.45 63.2 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 115.805 1.78 . . . . 29.8 115.805 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -83.45 -6.12 59.36 Favored 'General case' 0 CA--C 1.572 1.805 0 C-N-CA 124.886 1.275 . . . . 37.01 112.046 170.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -61.83 145.57 52.26 Favored 'General case' 0 CA--C 1.491 -1.307 0 O-C-N 120.999 -1.063 . . . . 57.64 108.305 178.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -62.92 -26.37 68.77 Favored 'General case' 0 C--O 1.258 1.522 0 CA-C-N 115.356 -0.838 . . . . 38.91 113.035 -179.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 41' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -93.16 10.21 32.69 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 115.586 1.698 . . . . 31.62 115.586 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 42' ' ' VAL . . . . . . . . . . . . . 89.9 t -125.31 -60.41 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 N-CA-C 104.776 -2.305 . . . . 29.74 104.776 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 43' ' ' ALA . . . . . . . . . . . . . . . 57.34 58.47 3.84 Favored 'General case' 0 C--O 1.266 1.962 0 N-CA-C 114.867 1.432 . . . . 26.67 114.867 164.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -127.41 86.03 2.44 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.863 -1.162 . . . . 29.86 107.863 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 45' ' ' CYS . . . . . . . . . . . . . 44.4 t -57.16 -47.26 81.62 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 114.199 -1.364 . . . . 41.47 109.769 -167.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.73 -35.47 91.28 Favored Glycine 0 CA--C 1.547 2.051 0 C-N-CA 119.697 -1.239 . . . . 27.81 111.804 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 47' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.22 -46.01 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 CA-C-N 118.771 1.285 . . . . 29.43 108.963 -177.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 48' ' ' CYS . . . . . 0.759 ' SG ' 'AU ' ' X' ' 207' ' ' ' AU' . 7.4 t -50.03 -46.68 53.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.315 1.446 . . . . 40.06 110.036 171.926 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 49' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -71.47 -38.83 71.23 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 120.781 -1.199 . . . . 69.33 108.915 -174.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -59.0 -48.19 82.49 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.567 0.699 . . . . 34.83 111.426 175.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 51' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -72.43 -38.14 68.41 Favored 'General case' 0 C--O 1.255 1.376 0 C-N-CA 118.619 -1.232 . . . . 28.03 113.295 -177.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 52' ' ' CYS . . . . . 0.75 ' SG ' 'AU ' ' X' ' 205' ' ' ' AU' . 10.4 t -66.23 -37.89 86.6 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 122.784 1.278 . . . . 41.58 112.097 175.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 53' ' ' GLU . . . . . . . . . . . . . . . -57.18 -43.64 82.81 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.389 -0.819 . . . . 28.66 111.985 173.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -36.1 82.57 Favored 'General case' 0 C--O 1.196 -1.748 0 N-CA-C 114.194 1.183 . . . . 42.51 114.194 174.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.04 88.77 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 122.855 1.312 . . . . 27.47 108.501 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . . . -63.09 -44.92 94.36 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-O 117.699 -1.143 . . . . 26.48 113.173 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 57' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -59.69 -44.61 93.59 Favored 'General case' 0 C--O 1.19 -2.054 0 O-C-N 123.9 0.75 . . . . 78.91 112.078 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 58' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -59.98 -43.15 95.32 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 113.04 0.756 . . . . 36.3 113.04 174.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 59' ' ' ARG . . . . . 0.499 ' HD3' ' O2 ' ' X' ' 218' ' ' SO4 . 8.1 ttp85 -63.85 -38.26 90.44 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.283 -0.885 . . . . 47.41 108.738 176.81 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 60' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -64.58 -42.37 95.65 Favored 'General case' 0 C--O 1.195 -1.766 0 CA-C-O 118.487 -0.768 . . . . 51.19 110.991 -177.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.63 -52.1 15.74 Favored Glycine 0 CA--C 1.553 2.419 0 O-C-N 125.165 1.541 . . . . 26.49 113.463 168.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.65 94.69 Favored 'General case' 0 N--CA 1.417 -2.076 0 N-CA-C 113.026 0.75 . . . . 27.47 113.026 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 63' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -62.69 -38.6 91.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.928 1.084 . . . . 49.34 113.928 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 64' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -63.97 -43.27 96.25 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 112.655 0.613 . . . . 87.03 112.655 173.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.39 -43.5 88.55 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 118.76 -0.638 . . . . 30.39 110.688 172.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 66' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.35 -42.13 96.4 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 122.453 1.12 . . . . 26.36 112.595 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 67' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -59.79 -42.88 94.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.177 -0.92 . . . . 66.87 109.584 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 68' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -65.33 -42.86 92.51 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 121.307 0.575 . . . . 36.67 111.003 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -49.2 -54.65 15.58 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 109.235 -0.654 . . . . 33.17 109.235 174.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 70' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -61.1 -38.64 87.05 Favored 'General case' 0 C--O 1.275 2.401 0 N-CA-C 113.851 1.056 . . . . 30.49 113.851 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 71' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -63.07 -34.21 77.09 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 119.086 -1.046 . . . . 53.99 111.172 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 72' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -88.18 -4.84 58.68 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 113.17 0.804 . . . . 34.12 113.17 -179.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.19 13.18 69.14 Favored Glycine 0 C--O 1.211 -1.321 0 CA-C-O 119.432 -0.649 . . . . 33.04 111.55 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.38 173.29 53.16 Favored Glycine 0 C--O 1.263 1.933 0 CA-C-N 118.512 1.156 . . . . 35.97 113.939 166.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 75' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -118.71 121.43 40.09 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.109 -1.441 . . . . 48.17 107.109 -174.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.3 135.73 50.85 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 107.682 -1.229 . . . . 31.92 107.682 179.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 77' ' ' LEU . . . . . . . . . . . . . 24.4 mt -133.86 128.76 35.33 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 105.141 -2.17 . . . . 47.12 105.141 177.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 78' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -105.57 140.25 38.93 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 123.956 0.785 . . . . 36.45 110.257 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 79' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -115.09 166.76 11.46 Favored 'General case' 0 CA--C 1.476 -1.873 0 CA-C-N 115.485 -0.779 . . . . 72.29 109.743 172.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 80' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -43.32 138.9 2.15 Favored 'General case' 0 C--O 1.268 2.07 0 CA-C-N 114.704 -1.134 . . . . 37.92 112.754 166.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt -91.76 113.01 25.16 Favored 'General case' 0 CA--C 1.465 -2.31 0 CA-C-N 115.532 -0.758 . . . . 40.56 110.123 162.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.36 132.46 50.2 Favored 'General case' 1 N--CA 1.364 -4.726 0 O-C-N 124.902 1.376 . . . . 89.92 109.724 173.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 83' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -55.59 151.3 21.88 Favored Pre-proline 0 N--CA 1.419 -1.987 0 CA-C-N 113.576 -1.647 . . . . 68.71 111.664 173.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 84' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.57 156.02 39.08 Favored 'Trans proline' 0 C--O 1.195 -1.648 0 C-N-CA 120.416 0.744 . . . . 33.26 113.164 -179.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 85' ' ' SER . . . . . . . . . . . . . 98.9 p -67.15 -19.32 65.58 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.103 1.52 . . . . 44.36 115.103 -172.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 86' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -137.43 153.8 50.06 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-O 121.686 0.755 . . . . 64.38 110.557 178.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 87' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.88 -27.08 17.33 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 123.832 0.853 . . . . 42.15 111.596 172.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 88' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -134.13 138.5 45.26 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 105.679 -1.971 . . . . 55.38 105.679 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 89' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -110.67 8.5 22.69 Favored 'General case' 0 C--O 1.251 1.162 0 N-CA-C 115.537 1.68 . . . . 30.31 115.537 -166.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.68 -135.34 26.68 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 122.078 0.821 . . . . 30.4 114.716 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 91' ' ' THR . . . . . . . . . . . . . 16.2 p -85.07 170.63 12.76 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.944 0.878 . . . . 32.96 111.854 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 92' ' ' THR . . . . . . . . . . . . . 68.2 m -60.27 -41.43 93.29 Favored 'General case' 0 C--O 1.203 -1.353 0 N-CA-C 107.935 -1.135 . . . . 30.74 107.935 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 93' ' ' LEU . . . . . . . . . . . . . 42.1 tp -52.95 -49.3 66.35 Favored 'General case' 0 CA--C 1.584 2.251 0 C-N-CA 124.191 0.996 . . . . 42.25 112.78 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 94' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -64.02 -46.37 84.78 Favored 'General case' 0 C--O 1.205 -1.246 0 C-N-CA 124.041 0.937 . . . . 34.33 108.753 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.13 -45.16 95.8 Favored 'General case' 0 N--CA 1.42 -1.931 0 O-C-N 124.322 1.014 . . . . 29.05 112.178 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 96' ' ' MET . . . . . 0.989 ' CE ' 'AU ' ' X' ' 204' ' ' ' AU' . 12.6 tpp -67.77 -32.2 72.62 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 118.898 -0.572 . . . . 37.77 112.033 178.443 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -65.41 -46.57 79.47 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 122.298 1.047 . . . . 72.28 110.365 172.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.84 95.67 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 119.283 -0.967 . . . . 31.93 110.561 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.69 -41.98 82.73 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 115.264 1.579 . . . . 27.6 115.264 172.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 100' ' ' ILE . . . . . . . . . . . . . 6.7 tt -75.52 -36.0 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 C-N-CA 118.797 -1.161 . . . . 48.06 112.13 -176.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 101' ' ' VAL . . . . . . . . . . . . 0.421 2.0 m -59.89 -39.46 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.457 -0.777 . . . . 40.86 111.73 169.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 102' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.65 -48.0 81.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.311 0.577 . . . . 40.8 109.885 174.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 103' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -62.13 -40.36 95.68 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 116.999 -1.88 . . . . 33.81 114.512 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 104' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -61.2 -36.55 80.19 Favored 'General case' 0 C--N 1.316 -0.886 0 O-C-N 123.194 0.309 . . . . 72.9 111.426 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 105' ' ' SER . . . . . . . . . . . . . 36.4 p -66.93 -39.92 87.46 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-O 118.016 -0.993 . . . . 46.77 112.674 174.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 106' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.4 -41.17 96.79 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 119.36 0.982 . . . . 41.66 111.785 174.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 107' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -61.73 -42.91 99.58 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.879 -0.601 . . . . 32.3 112.274 178.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 108' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' X' ' 302' ' ' HOH . 11.5 tp-100 -60.97 -44.17 97.73 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 116.336 -0.393 . . . . 40.81 111.091 175.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.95 92.07 Favored 'General case' 0 C--O 1.269 2.114 0 C-N-CA 119.109 -1.036 . . . . 31.71 111.285 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 110' ' ' LEU . . . . . . . . . . . . . 57.7 mt -59.94 -46.41 89.49 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 118.815 -1.154 . . . . 36.4 111.457 175.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 111' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.19 -40.15 95.49 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 113.224 0.824 . . . . 39.64 113.224 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 112' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.11 -37.69 80.75 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 119.97 1.259 . . . . 36.49 110.6 173.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 113' ' ' LEU . . . . . . . . . . . . . 34.4 tp -68.68 -41.94 78.53 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-O 118.433 -0.794 . . . . 40.58 112.526 178.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 114' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -57.16 -45.05 83.94 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 123.68 0.612 . . . . 79.69 110.173 172.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.89 98.42 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 119.229 0.922 . . . . 46.83 111.026 -176.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 116' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.78 -42.54 89.23 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 115.005 -0.998 . . . . 45.82 112.776 172.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 117' ' ' GLY . . . . . . . . . . . . . . . -65.09 -37.73 94.5 Favored Glycine 0 N--CA 1.482 1.725 0 N-CA-C 114.743 0.657 . . . . 49.24 114.743 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 118' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -52.75 63.58 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.409 0.892 . . . . 68.62 113.409 168.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.11 -34.52 66.12 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.999 0.818 . . . . 55.99 112.261 175.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 120' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -86.39 -5.2 59.22 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 113.249 0.833 . . . . 60.7 113.249 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 121' ' ' ALA . . . . . . . . . . . . . . . 58.08 58.56 3.49 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 121.529 -0.732 . . . . 53.76 111.671 -175.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 122' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -122.25 81.56 45.1 Favored Pre-proline 0 N--CA 1.491 1.582 0 CA-C-O 122.545 1.164 . . . . 43.92 108.05 -175.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 123' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -69.0 -30.1 26.39 Favored 'Trans proline' 0 C--N 1.32 -0.945 0 CA-C-O 117.444 -1.148 . . . . 49.27 114.013 -175.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 124' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -57.68 -46.25 84.54 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 118.482 -1.287 . . . . 50.08 111.208 173.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -47.04 82.12 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.897 0.38 . . . . 46.54 111.501 178.315 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 126' ' ' CYS . . . . . . . . . . . . . 71.8 m -57.0 -50.52 72.47 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 115.568 -0.742 . . . . 86.03 112.451 175.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 127' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -54.26 -52.22 62.04 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 109.035 -0.728 . . . . 65.67 109.035 172.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 128' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -49.5 -51.76 34.06 Favored 'General case' 0 C--O 1.253 1.267 0 N-CA-C 114.92 1.452 . . . . 43.1 114.92 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 129' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.99 -36.62 82.59 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 119.871 -0.732 . . . . 50.47 110.645 -177.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 130' ' ' GLU . . . . . 0.416 ' HA ' HD22 ' X' ' 134' ' ' LEU . 79.7 mt-10 -67.38 -49.48 63.74 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 122.198 0.999 . . . . 74.11 112.803 -175.977 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 131' ' ' SER . . . . . . . . . . . . . . . -57.51 -45.12 85.33 Favored 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 112.492 -2.14 . . . . 64.81 112.446 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 132' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -115.36 -9.08 12.21 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 119.755 3.243 . . . . 89.94 119.755 -166.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 133' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -131.08 -51.45 1.03 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 118.847 -0.596 . . . . 39.33 112.588 -166.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 134' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' X' ' 130' ' ' GLU . 0.0 OUTLIER -67.61 -48.71 66.02 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.758 0.661 . . . . 52.73 110.008 -164.202 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' X' X ' 135' ' ' ASP . . . . . . . . . . . . . . . -66.09 -46.45 77.61 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 125.366 1.666 . . . . 37.55 109.429 -177.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -40.79 90.81 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 114.208 1.188 . . . . 96.39 114.208 178.042 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 137' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -69.88 -39.36 76.34 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 108.684 -0.858 . . . . 36.33 108.684 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 138' ' ' VAL . . . . . . . . . . . . . 5.9 t -61.99 -44.58 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 C-N-CA 117.916 -1.514 . . . . 34.66 114.337 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -48.35 77.11 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 125.182 1.393 . . . . 73.69 109.587 175.276 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 140' ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.56 -47.59 80.93 Favored 'General case' 0 C--O 1.259 1.588 0 CA-C-O 123.132 1.444 . . . . 33.54 112.489 -177.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 141' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.61 -38.57 76.23 Favored 'Isoleucine or valine' 0 C--O 1.255 1.352 0 N-CA-C 114.05 1.13 . . . . 29.19 114.05 174.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 142' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -65.05 -44.52 88.79 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.33 -0.548 . . . . 29.56 109.875 176.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 143' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -57.15 -42.98 82.02 Favored 'General case' 0 C--O 1.255 1.376 0 N-CA-C 114.108 1.151 . . . . 74.28 114.108 173.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 144' ' ' MET . . . . . . . . . . . . . 57.2 mtt -68.28 -36.33 79.21 Favored 'General case' 0 C--O 1.208 -1.083 0 N-CA-C 113.089 0.774 . . . . 37.43 113.089 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 145' ' ' GLY . . . . . . . . . . . . . . . -60.9 -45.33 96.75 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 120.561 -0.828 . . . . 29.0 111.199 173.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 146' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -57.59 -48.96 77.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.028 -0.73 . . . . 32.47 109.028 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 147' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -60.77 -43.94 97.39 Favored 'General case' 0 CA--C 1.486 -1.495 0 O-C-N 123.588 0.555 . . . . 37.69 112.479 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 148' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' X' ' 152' ' ' GLN . 8.6 tp -60.46 -39.97 89.52 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 118.705 -1.198 . . . . 44.73 111.892 177.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 149' ' ' THR . . . . . . . . . . . . . 8.9 m -66.3 -41.22 90.04 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 107.936 -1.135 . . . . 29.87 107.936 -179.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 150' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -69.58 -40.06 76.95 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.221 -1.549 . . . . 29.04 114.75 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 151' ' ' ILE . . . . . . . . . . . . . 21.6 mt -56.15 -45.89 80.93 Favored 'Isoleucine or valine' 0 C--O 1.248 0.976 0 C-N-CA 119.904 -0.718 . . . . 33.55 110.107 172.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 152' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' X' ' 148' ' ' LEU . 31.4 mt-30 -66.99 -39.77 87.23 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-O 121.986 0.898 . . . . 73.13 111.16 -174.731 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 153' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -58.68 -35.34 72.45 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 114.637 -1.165 . . . . 43.97 112.702 175.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 154' ' ' LEU . . . . . . . . . . . . . 62.6 mt -82.68 -7.52 59.65 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 117.597 2.443 . . . . 44.54 117.597 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 155' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.08 -73.06 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.589 0 CA-C-N 119.07 0.85 . . . . 76.47 109.212 179.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 156' ' ' GLY . . . . . . . . . . . . . . . 37.3 -128.95 1.27 Allowed Glycine 0 CA--C 1.545 1.945 0 C-N-CA 119.494 -1.336 . . . . 69.88 115.38 -177.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 157' ' ' SER . . . . . . . . . . . . . . . -89.13 -34.96 16.54 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.236 0.828 . . . . 82.83 113.236 -173.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 158' ' ' GLN . . . . . . . . . . . . . . . -108.63 81.97 1.54 Allowed 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 125.739 1.616 . . . . 72.69 110.649 -175.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.01 -42.98 59.55 Favored 'General case' 0 C--O 1.195 -1.764 0 C-N-CA 123.409 0.684 . . . . 54.32 111.517 -169.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 160' ' ' GLY . . . . . . . . . . . . . . . -59.04 -47.7 89.5 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 109.875 -1.29 . . . . 34.89 109.875 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 161' ' ' LEU . . . . . . . . . . . . . 61.5 tp -57.77 -47.56 82.16 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 122.741 0.416 . . . . 45.49 111.405 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 162' ' ' GLY . . . . . . . . . . . . . . . -63.03 -40.67 99.56 Favored Glycine 0 C--O 1.201 -1.961 0 CA-C-O 122.392 0.995 . . . . 31.75 111.943 -179.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 163' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -66.91 -41.54 86.94 Favored 'General case' 0 C--O 1.278 2.567 0 O-C-N 121.445 -1.032 . . . . 39.68 111.521 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 164' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -59.73 -50.72 72.72 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 113.948 1.092 . . . . 29.9 113.948 172.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 165' ' ' LEU . . . . . . . . . . . . . 39.5 mt -57.57 -42.46 83.14 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 114.108 1.151 . . . . 35.82 114.108 -178.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 166' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -62.39 -43.74 98.11 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.579 -0.737 . . . . 32.41 109.252 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 167' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -68.07 -36.49 79.92 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-N 115.198 -0.91 . . . . 28.81 109.822 -178.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 168' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -78.16 -36.77 47.16 Favored 'General case' 0 C--O 1.201 -1.472 0 C-N-CA 118.324 -1.351 . . . . 31.81 114.398 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 169' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.31 -17.48 14.81 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 119.154 -1.018 . . . . 32.97 113.703 -168.734 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 170' ' ' THR . . . . . . . . . . . . . 28.1 m -107.28 -47.12 3.73 Favored 'General case' 0 C--O 1.191 -2.002 0 CA-C-O 118.035 -0.983 . . . . 30.76 113.549 174.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 171' ' ' LEU . . . . . . . . . . . . . 61.2 mt . . . . . 0 CA--C 1.565 1.551 0 N-CA-C 117.588 2.44 . . . . 40.08 117.588 -171.109 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 201' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 202' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 203' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 204' ' ' ' AU' . . . . . 0.989 'AU ' ' CE ' ' X' ' 96' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 205' ' ' ' AU' . . . . . 0.75 'AU ' ' SG ' ' X' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 206' ' ' ' AU' . . . . . 0.62 'AU ' ' SG ' ' X' ' 48' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 207' ' ' ' AU' . . . . . 0.759 'AU ' ' SG ' ' X' ' 48' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 208' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 209' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 210' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 211' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 212' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 213' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 214' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 215' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 216' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 217' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 218' ' ' SO4 . . . . . 0.499 ' O2 ' ' HD3' ' X' ' 59' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 219' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 302' ' ' HOH . . . . . 0.494 ' O ' ' NE2' ' X' ' 108' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.502 -0.925 . . . . 87.9 108.502 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -92.65 -20.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.357 -0.838 . . . . 44.47 112.25 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 5' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -64.15 130.16 42.86 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 120.133 -0.627 . . . . 38.86 111.015 -166.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 6' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -154.6 123.59 6.29 Favored 'General case' 0 C--O 1.252 1.212 0 CA-C-O 121.582 0.706 . . . . 44.3 109.535 -175.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 t30 57.85 33.55 23.34 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 114.703 -1.135 . . . . 39.83 112.846 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -119.79 101.17 7.7 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 124.195 0.934 . . . . 35.99 112.182 -177.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -74.91 156.69 36.1 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 118.859 -1.136 . . . . 34.7 112.161 -169.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 10' ' ' THR . . . . . . . . . . . . . 73.1 p -63.06 -27.84 69.68 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.083 0.468 . . . . 41.27 111.63 173.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 11' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -72.95 -42.72 63.12 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.409 -0.807 . . . . 59.0 109.394 179.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 42.2 t -62.4 -48.47 88.18 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.652 0 C-N-CA 120.333 -0.547 . . . . 32.64 110.102 175.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 13' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -51.1 -52.98 38.39 Favored 'General case' 0 N--CA 1.427 -1.62 0 C-N-CA 124.369 1.068 . . . . 37.56 113.359 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.91 -46.49 78.41 Favored 'General case' 0 C--O 1.257 1.463 0 N-CA-C 115.838 1.792 . . . . 32.19 115.838 172.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.07 -34.65 78.55 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-N 115.215 -0.902 . . . . 29.73 111.786 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.52 -45.4 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 108.616 -0.883 . . . . 27.53 108.616 174.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 17' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -60.96 -40.24 92.62 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 119.256 -0.978 . . . . 30.26 112.687 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . . . -63.47 -47.75 80.52 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.448 0.166 . . . . 30.51 110.764 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 19.6 tp -59.13 -38.37 79.48 Favored 'General case' 0 C--O 1.2 -1.521 0 C-N-CA 119.634 -0.826 . . . . 40.33 111.278 177.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.95 -45.96 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.406 -0.809 . . . . 29.78 111.242 172.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -60.82 -41.46 95.76 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-N 115.909 -0.587 . . . . 35.96 111.26 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 22' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.47 -44.98 92.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 112.851 0.686 . . . . 43.46 112.851 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -58.13 -45.03 88.02 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 115.226 1.565 . . . . 32.69 115.226 172.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 24' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.87 -37.37 84.3 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 119.664 -0.815 . . . . 29.99 111.847 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 25' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -60.62 -46.52 89.97 Favored 'General case' 0 C--O 1.199 -1.574 0 C-N-CA 120.424 -0.51 . . . . 82.15 111.932 174.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.74 -48.14 78.47 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 123.406 0.682 . . . . 24.52 111.333 174.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 27' ' ' SER . . . . . . . . . . . . . 28.1 t -50.98 -45.18 60.89 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.17 0.588 . . . . 29.89 111.417 174.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 28' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.16 -41.0 77.82 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 122.17 0.986 . . . . 28.18 112.263 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 75.7 m -53.4 -48.09 68.97 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 115.122 1.527 . . . . 27.47 115.122 169.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 30' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -64.99 -36.3 83.95 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.979 1.103 . . . . 31.95 113.979 179.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 31' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.25 -47.71 75.03 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.601 -0.889 . . . . 31.29 108.601 172.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -68.4 -36.68 79.47 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 120.982 -0.287 . . . . 27.0 110.957 -178.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.78 -43.75 97.99 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.23 -0.588 . . . . 26.93 111.497 176.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.5 -49.04 81.17 Favored Glycine 0 CA--C 1.498 -1.001 0 CA-C-N 116.243 -0.435 . . . . 28.55 113.272 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 35' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -70.43 -27.27 64.13 Favored 'General case' 0 C--O 1.206 -1.225 0 C-N-CA 118.491 -1.284 . . . . 35.84 113.837 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 36' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -60.07 -46.8 88.37 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.056 0.844 . . . . 28.16 109.567 173.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 37' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.96 -16.45 63.2 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 115.805 1.78 . . . . 29.8 115.805 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -83.45 -6.12 59.36 Favored 'General case' 0 CA--C 1.572 1.805 0 C-N-CA 124.886 1.275 . . . . 37.01 112.046 170.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -61.83 145.57 52.26 Favored 'General case' 0 CA--C 1.491 -1.307 0 O-C-N 120.999 -1.063 . . . . 57.64 108.305 178.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -62.92 -26.37 68.77 Favored 'General case' 0 C--O 1.258 1.522 0 CA-C-N 115.356 -0.838 . . . . 38.91 113.035 -179.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 41' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -93.16 10.21 32.69 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 115.586 1.698 . . . . 31.62 115.586 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 42' ' ' VAL . . . . . . . . . . . . . 89.9 t -125.31 -60.41 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 N-CA-C 104.776 -2.305 . . . . 29.74 104.776 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 43' ' ' ALA . . . . . . . . . . . . . . . 57.34 58.47 3.84 Favored 'General case' 0 C--O 1.266 1.962 0 N-CA-C 114.867 1.432 . . . . 26.67 114.867 164.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -127.41 86.03 2.44 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.863 -1.162 . . . . 29.86 107.863 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 45' ' ' CYS . . . . . . . . . . . . . 44.4 t -57.16 -47.26 81.62 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 114.199 -1.364 . . . . 41.47 109.769 -167.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.73 -35.47 91.28 Favored Glycine 0 CA--C 1.547 2.051 0 C-N-CA 119.697 -1.239 . . . . 27.81 111.804 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 47' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.22 -46.01 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 CA-C-N 118.771 1.285 . . . . 29.43 108.963 -177.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 48' ' ' CYS . . . . . 0.759 ' SG ' 'AU ' ' X' ' 207' ' ' ' AU' . 7.4 t -50.03 -46.68 53.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.315 1.446 . . . . 40.06 110.036 171.926 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 49' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -71.47 -38.83 71.23 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 120.781 -1.199 . . . . 69.33 108.915 -174.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -59.0 -48.19 82.49 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.567 0.699 . . . . 34.83 111.426 175.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 51' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -72.43 -38.14 68.41 Favored 'General case' 0 C--O 1.255 1.376 0 C-N-CA 118.619 -1.232 . . . . 28.03 113.295 -177.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 52' ' ' CYS . . . . . 0.75 ' SG ' 'AU ' ' X' ' 205' ' ' ' AU' . 10.4 t -66.23 -37.89 86.6 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 122.784 1.278 . . . . 41.58 112.097 175.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 53' ' ' GLU . . . . . . . . . . . . . . . -57.18 -43.64 82.81 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.389 -0.819 . . . . 28.66 111.985 173.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -36.1 82.57 Favored 'General case' 0 C--O 1.196 -1.748 0 N-CA-C 114.194 1.183 . . . . 42.51 114.194 174.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.04 88.77 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 122.855 1.312 . . . . 27.47 108.501 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . . . -63.09 -44.92 94.36 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-O 117.699 -1.143 . . . . 26.48 113.173 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 57' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -59.69 -44.61 93.59 Favored 'General case' 0 C--O 1.19 -2.054 0 O-C-N 123.9 0.75 . . . . 78.91 112.078 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 58' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -59.98 -43.15 95.32 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 113.04 0.756 . . . . 36.3 113.04 174.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 59' ' ' ARG . . . . . 0.499 ' HD3' ' O2 ' ' X' ' 218' ' ' SO4 . 8.1 ttp85 -63.85 -38.26 90.44 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.283 -0.885 . . . . 47.41 108.738 176.81 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 60' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -64.58 -42.37 95.65 Favored 'General case' 0 C--O 1.195 -1.766 0 CA-C-O 118.487 -0.768 . . . . 51.19 110.991 -177.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.63 -52.1 15.74 Favored Glycine 0 CA--C 1.553 2.419 0 O-C-N 125.165 1.541 . . . . 26.49 113.463 168.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.65 94.69 Favored 'General case' 0 N--CA 1.417 -2.076 0 N-CA-C 113.026 0.75 . . . . 27.47 113.026 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 63' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -62.69 -38.6 91.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.928 1.084 . . . . 49.34 113.928 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 64' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -63.97 -43.27 96.25 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 112.655 0.613 . . . . 87.03 112.655 173.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.39 -43.5 88.55 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 118.76 -0.638 . . . . 30.39 110.688 172.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 66' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.35 -42.13 96.4 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 122.453 1.12 . . . . 26.36 112.595 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 67' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -59.79 -42.88 94.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.177 -0.92 . . . . 66.87 109.584 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 68' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -65.33 -42.86 92.51 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 121.307 0.575 . . . . 36.67 111.003 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -49.2 -54.65 15.58 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 109.235 -0.654 . . . . 33.17 109.235 174.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 70' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -61.1 -38.64 87.05 Favored 'General case' 0 C--O 1.275 2.401 0 N-CA-C 113.851 1.056 . . . . 30.49 113.851 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 71' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -63.07 -34.21 77.09 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 119.086 -1.046 . . . . 53.99 111.172 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 72' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -88.18 -4.84 58.68 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 113.17 0.804 . . . . 34.12 113.17 -179.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.19 13.18 69.14 Favored Glycine 0 C--O 1.211 -1.321 0 CA-C-O 119.432 -0.649 . . . . 33.04 111.55 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.38 173.29 53.16 Favored Glycine 0 C--O 1.263 1.933 0 CA-C-N 118.512 1.156 . . . . 35.97 113.939 166.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 75' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -118.71 121.43 40.09 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.109 -1.441 . . . . 48.17 107.109 -174.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.3 135.73 50.85 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 107.682 -1.229 . . . . 31.92 107.682 179.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 77' ' ' LEU . . . . . . . . . . . . . 24.4 mt -133.86 128.76 35.33 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 105.141 -2.17 . . . . 47.12 105.141 177.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 78' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -105.57 140.25 38.93 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 123.956 0.785 . . . . 36.45 110.257 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 79' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -115.09 166.76 11.46 Favored 'General case' 0 CA--C 1.476 -1.873 0 CA-C-N 115.485 -0.779 . . . . 72.29 109.743 172.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 80' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -43.32 138.9 2.15 Favored 'General case' 0 C--O 1.268 2.07 0 CA-C-N 114.704 -1.134 . . . . 37.92 112.754 166.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt -91.76 113.01 25.16 Favored 'General case' 0 CA--C 1.465 -2.31 0 CA-C-N 115.532 -0.758 . . . . 40.56 110.123 162.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.36 132.46 50.2 Favored 'General case' 1 N--CA 1.364 -4.726 0 O-C-N 124.902 1.376 . . . . 89.92 109.724 173.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 83' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -55.59 151.3 21.88 Favored Pre-proline 0 N--CA 1.419 -1.987 0 CA-C-N 113.576 -1.647 . . . . 68.71 111.664 173.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 84' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.57 156.02 39.08 Favored 'Trans proline' 0 C--O 1.195 -1.648 0 C-N-CA 120.416 0.744 . . . . 33.26 113.164 -179.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 85' ' ' SER . . . . . . . . . . . . . 98.9 p -67.15 -19.32 65.58 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.103 1.52 . . . . 44.36 115.103 -172.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 86' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -137.43 153.8 50.06 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-O 121.686 0.755 . . . . 64.38 110.557 178.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 87' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.88 -27.08 17.33 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 123.832 0.853 . . . . 42.15 111.596 172.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 88' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -134.13 138.5 45.26 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 105.679 -1.971 . . . . 55.38 105.679 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 89' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -110.67 8.5 22.69 Favored 'General case' 0 C--O 1.251 1.162 0 N-CA-C 115.537 1.68 . . . . 30.31 115.537 -166.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.68 -135.34 26.68 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 122.078 0.821 . . . . 30.4 114.716 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 91' ' ' THR . . . . . . . . . . . . . 16.2 p -85.07 170.63 12.76 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.944 0.878 . . . . 32.96 111.854 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 92' ' ' THR . . . . . . . . . . . . . 68.2 m -60.27 -41.43 93.29 Favored 'General case' 0 C--O 1.203 -1.353 0 N-CA-C 107.935 -1.135 . . . . 30.74 107.935 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 93' ' ' LEU . . . . . . . . . . . . . 42.1 tp -52.95 -49.3 66.35 Favored 'General case' 0 CA--C 1.584 2.251 0 C-N-CA 124.191 0.996 . . . . 42.25 112.78 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 94' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -64.02 -46.37 84.78 Favored 'General case' 0 C--O 1.205 -1.246 0 C-N-CA 124.041 0.937 . . . . 34.33 108.753 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.13 -45.16 95.8 Favored 'General case' 0 N--CA 1.42 -1.931 0 O-C-N 124.322 1.014 . . . . 29.05 112.178 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 96' ' ' MET . . . . . 0.989 ' CE ' 'AU ' ' X' ' 204' ' ' ' AU' . 12.6 tpp -67.77 -32.2 72.62 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 118.898 -0.572 . . . . 37.77 112.033 178.443 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -65.41 -46.57 79.47 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 122.298 1.047 . . . . 72.28 110.365 172.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.84 95.67 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 119.283 -0.967 . . . . 31.93 110.561 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.69 -41.98 82.73 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 115.264 1.579 . . . . 27.6 115.264 172.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 100' ' ' ILE . . . . . . . . . . . . . 6.7 tt -75.52 -36.0 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 C-N-CA 118.797 -1.161 . . . . 48.06 112.13 -176.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 101' ' ' VAL . . . . . . . . . . . . 0.421 2.0 m -59.89 -39.46 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.457 -0.777 . . . . 40.86 111.73 169.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 102' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.65 -48.0 81.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.311 0.577 . . . . 40.8 109.885 174.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 103' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -62.13 -40.36 95.68 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 116.999 -1.88 . . . . 33.81 114.512 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 104' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -61.2 -36.55 80.19 Favored 'General case' 0 C--N 1.316 -0.886 0 O-C-N 123.194 0.309 . . . . 72.9 111.426 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 105' ' ' SER . . . . . . . . . . . . . 36.4 p -66.93 -39.92 87.46 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-O 118.016 -0.993 . . . . 46.77 112.674 174.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 106' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.4 -41.17 96.79 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 119.36 0.982 . . . . 41.66 111.785 174.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 107' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -61.73 -42.91 99.58 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.879 -0.601 . . . . 32.3 112.274 178.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 108' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' X' ' 302' ' ' HOH . 11.5 tp-100 -60.97 -44.17 97.73 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 116.336 -0.393 . . . . 40.81 111.091 175.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.95 92.07 Favored 'General case' 0 C--O 1.269 2.114 0 C-N-CA 119.109 -1.036 . . . . 31.71 111.285 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 110' ' ' LEU . . . . . . . . . . . . . 57.7 mt -59.94 -46.41 89.49 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 118.815 -1.154 . . . . 36.4 111.457 175.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 111' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.19 -40.15 95.49 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 113.224 0.824 . . . . 39.64 113.224 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 112' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.11 -37.69 80.75 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 119.97 1.259 . . . . 36.49 110.6 173.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 113' ' ' LEU . . . . . . . . . . . . . 34.4 tp -68.68 -41.94 78.53 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-O 118.433 -0.794 . . . . 40.58 112.526 178.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 114' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -57.16 -45.05 83.94 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 123.68 0.612 . . . . 79.69 110.173 172.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.89 98.42 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 119.229 0.922 . . . . 46.83 111.026 -176.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 116' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.78 -42.54 89.23 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 115.005 -0.998 . . . . 45.82 112.776 172.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 117' ' ' GLY . . . . . . . . . . . . . . . -65.09 -37.73 94.5 Favored Glycine 0 N--CA 1.482 1.725 0 N-CA-C 114.743 0.657 . . . . 49.24 114.743 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 118' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -52.75 63.58 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.409 0.892 . . . . 68.62 113.409 168.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.11 -34.52 66.12 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.999 0.818 . . . . 55.99 112.261 175.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 120' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -86.39 -5.2 59.22 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 113.249 0.833 . . . . 60.7 113.249 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 121' ' ' ALA . . . . . . . . . . . . . . . 58.08 58.56 3.49 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 121.529 -0.732 . . . . 53.76 111.671 -175.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 122' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -122.25 81.56 45.1 Favored Pre-proline 0 N--CA 1.491 1.582 0 CA-C-O 122.545 1.164 . . . . 43.92 108.05 -175.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 123' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -69.0 -30.1 26.39 Favored 'Trans proline' 0 C--N 1.32 -0.945 0 CA-C-O 117.444 -1.148 . . . . 49.27 114.013 -175.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 124' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -57.68 -46.25 84.54 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 118.482 -1.287 . . . . 50.08 111.208 173.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -47.04 82.12 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.897 0.38 . . . . 46.54 111.501 178.315 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 126' ' ' CYS . . . . . . . . . . . . . 71.8 m -57.0 -50.52 72.47 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 115.568 -0.742 . . . . 86.03 112.451 175.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 127' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -54.26 -52.22 62.04 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 109.035 -0.728 . . . . 65.67 109.035 172.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 128' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -49.5 -51.76 34.06 Favored 'General case' 0 C--O 1.253 1.267 0 N-CA-C 114.92 1.452 . . . . 43.1 114.92 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 129' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.99 -36.62 82.59 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 119.871 -0.732 . . . . 50.47 110.645 -177.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 130' ' ' GLU . . . . . 0.416 ' HA ' HD22 ' X' ' 134' ' ' LEU . 79.7 mt-10 -67.38 -49.48 63.74 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 122.198 0.999 . . . . 74.11 112.803 -175.977 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 131' ' ' SER . . . . . . . . . . . . . . . -57.51 -45.12 85.33 Favored 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 112.492 -2.14 . . . . 64.81 112.446 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 132' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -115.36 -9.08 12.21 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 119.755 3.243 . . . . 89.94 119.755 -166.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 133' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -131.08 -51.45 1.03 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 118.847 -0.596 . . . . 39.33 112.588 -166.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 134' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' X' ' 130' ' ' GLU . 0.0 OUTLIER -67.61 -48.71 66.02 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.758 0.661 . . . . 52.73 110.008 -164.202 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' X' X ' 135' ' ' ASP . . . . . . . . . . . . . . . -66.09 -46.45 77.61 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 125.366 1.666 . . . . 37.55 109.429 -177.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -40.79 90.81 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 114.208 1.188 . . . . 96.39 114.208 178.042 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 137' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -69.88 -39.36 76.34 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 108.684 -0.858 . . . . 36.33 108.684 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 138' ' ' VAL . . . . . . . . . . . . . 5.9 t -61.99 -44.58 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 C-N-CA 117.916 -1.514 . . . . 34.66 114.337 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -48.35 77.11 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 125.182 1.393 . . . . 73.69 109.587 175.276 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 140' ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.56 -47.59 80.93 Favored 'General case' 0 C--O 1.259 1.588 0 CA-C-O 123.132 1.444 . . . . 33.54 112.489 -177.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 141' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.61 -38.57 76.23 Favored 'Isoleucine or valine' 0 C--O 1.255 1.352 0 N-CA-C 114.05 1.13 . . . . 29.19 114.05 174.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 142' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -65.05 -44.52 88.79 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.33 -0.548 . . . . 29.56 109.875 176.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 143' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -57.15 -42.98 82.02 Favored 'General case' 0 C--O 1.255 1.376 0 N-CA-C 114.108 1.151 . . . . 74.28 114.108 173.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 144' ' ' MET . . . . . . . . . . . . . 57.2 mtt -68.28 -36.33 79.21 Favored 'General case' 0 C--O 1.208 -1.083 0 N-CA-C 113.089 0.774 . . . . 37.43 113.089 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 145' ' ' GLY . . . . . . . . . . . . . . . -60.9 -45.33 96.75 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 120.561 -0.828 . . . . 29.0 111.199 173.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 146' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -57.59 -48.96 77.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.028 -0.73 . . . . 32.47 109.028 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 147' ' ' HIS . . . . . 0.479 ' HD2' ' O ' ' X' ' 342' ' ' HOH . 63.6 m170 -60.77 -43.94 97.39 Favored 'General case' 0 CA--C 1.486 -1.495 0 O-C-N 123.588 0.555 . . . . 37.69 112.479 179.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 148' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' X' ' 152' ' ' GLN . 8.6 tp -60.46 -39.97 89.52 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 118.705 -1.198 . . . . 44.73 111.892 177.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 149' ' ' THR . . . . . . . . . . . . . 8.9 m -66.3 -41.22 90.04 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 107.936 -1.135 . . . . 29.87 107.936 -179.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 150' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -69.58 -40.06 76.95 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.221 -1.549 . . . . 29.04 114.75 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 151' ' ' ILE . . . . . . . . . . . . . 21.6 mt -56.15 -45.89 80.93 Favored 'Isoleucine or valine' 0 C--O 1.248 0.976 0 C-N-CA 119.904 -0.718 . . . . 33.55 110.107 172.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 152' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' X' ' 148' ' ' LEU . 31.4 mt-30 -66.99 -39.77 87.23 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-O 121.986 0.898 . . . . 73.13 111.16 -174.731 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 153' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -58.68 -35.34 72.45 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 114.637 -1.165 . . . . 43.97 112.702 175.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 154' ' ' LEU . . . . . . . . . . . . . 62.6 mt -82.68 -7.52 59.65 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 117.597 2.443 . . . . 44.54 117.597 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 155' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.08 -73.06 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.589 0 CA-C-N 119.07 0.85 . . . . 76.47 109.212 179.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 156' ' ' GLY . . . . . . . . . . . . . . . 37.3 -128.95 1.27 Allowed Glycine 0 CA--C 1.545 1.945 0 C-N-CA 119.494 -1.336 . . . . 69.88 115.38 -177.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 157' ' ' SER . . . . . . . . . . . . . . . -89.13 -34.96 16.54 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.236 0.828 . . . . 82.83 113.236 -173.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 158' ' ' GLN . . . . . . . . . . . . . . . -108.63 81.97 1.54 Allowed 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 125.739 1.616 . . . . 72.69 110.649 -175.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.01 -42.98 59.55 Favored 'General case' 0 C--O 1.195 -1.764 0 C-N-CA 123.409 0.684 . . . . 54.32 111.517 -169.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 160' ' ' GLY . . . . . . . . . . . . . . . -59.04 -47.7 89.5 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 109.875 -1.29 . . . . 34.89 109.875 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 161' ' ' LEU . . . . . . . . . . . . . 61.5 tp -57.77 -47.56 82.16 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 122.741 0.416 . . . . 45.49 111.405 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 162' ' ' GLY . . . . . . . . . . . . . . . -63.03 -40.67 99.56 Favored Glycine 0 C--O 1.201 -1.961 0 CA-C-O 122.392 0.995 . . . . 31.75 111.943 -179.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 163' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -66.91 -41.54 86.94 Favored 'General case' 0 C--O 1.278 2.567 0 O-C-N 121.445 -1.032 . . . . 39.68 111.521 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 164' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -59.73 -50.72 72.72 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 113.948 1.092 . . . . 29.9 113.948 172.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 165' ' ' LEU . . . . . . . . . . . . . 39.5 mt -57.57 -42.46 83.14 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 114.108 1.151 . . . . 35.82 114.108 -178.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 166' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -62.39 -43.74 98.11 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.579 -0.737 . . . . 32.41 109.252 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 167' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -68.07 -36.49 79.92 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-N 115.198 -0.91 . . . . 28.81 109.822 -178.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 168' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -78.16 -36.77 47.16 Favored 'General case' 0 C--O 1.201 -1.472 0 C-N-CA 118.324 -1.351 . . . . 31.81 114.398 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 169' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.31 -17.48 14.81 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 119.154 -1.018 . . . . 32.97 113.703 -168.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 170' ' ' THR . . . . . . . . . . . . . 28.1 m -107.28 -47.12 3.73 Favored 'General case' 0 C--O 1.191 -2.002 0 CA-C-O 118.035 -0.983 . . . . 30.76 113.549 174.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 171' ' ' LEU . . . . . . . . . . . . . 61.2 mt . . . . . 0 CA--C 1.565 1.551 0 N-CA-C 117.588 2.44 . . . . 40.08 117.588 -171.109 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 201' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 202' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 203' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 204' ' ' ' AU' . . . . . 0.989 'AU ' ' CE ' ' X' ' 96' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 205' ' ' ' AU' . . . . . 0.75 'AU ' ' SG ' ' X' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 206' ' ' ' AU' . . . . . 0.62 'AU ' ' SG ' ' X' ' 48' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 207' ' ' ' AU' . . . . . 0.759 'AU ' ' SG ' ' X' ' 48' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 208' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 209' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 210' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 211' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 212' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 213' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 214' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 215' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 216' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 217' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 218' ' ' SO4 . . . . . 0.499 ' O2 ' ' HD3' ' X' ' 59' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 219' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 302' ' ' HOH . . . . . 0.494 ' O ' ' NE2' ' X' ' 108' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 342' ' ' HOH . . . . . 0.479 ' O ' ' HD2' ' X' ' 147' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_