data_6jue_residue ############################ # Computer software used # ############################ 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 6jue _Structure_validation_residue.Date_analyzed 2020-04-17 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 ' L' L ' 5' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.385 0 CA-C-O 122.606 1.193 . . . . 45.159999999999997 107.842 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 6' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -92.31 -33.35 14.65 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 113.81 -1.541 . . . . 28.629999999999999 112.166 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.02 -164.13 54.69 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-O 122.198 0.888 . . . . 21.390000000000001 112.786 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 8' ' ' THR . . . . . . . . . . . . . 40.3 m -102.75 118.75 37.52 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.91 -1.145 . . . . 24.579999999999998 107.91 170.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 9' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -115.21 146.94 40.93 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.507 0.67 . . . . 20.140000000000001 111.851 -171.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 10' ' ' GLU . . . . . . . . . . . . . . . -101.64 148.83 24.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.96 -1.018 . . . . 21.66 108.76 175.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -85.87 128.02 34.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.235 -0.439 . . . . 22.940000000000001 110.806 174.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 12' ' ' LEU . . . . . . . . . . . . . 77.7 mt -126.27 153.55 44.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 124.068 0.947 . . . . 22.149999999999999 109.134 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 13' ' ' THR . . . . . . . . . . . . . 8.9 t -138.51 149.27 45.2 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.471 -0.892 . . . . 20.48 109.58 174.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 14' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -157.39 164.45 37.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.517 -1.219 . . . . 25.09 107.956 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -111.05 124.2 51.71 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 114.966 -1.015 . . . . 56.859999999999999 108.761 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 16' ' ' VAL . . . . . . . . . . . . . 18.9 t -106.36 109.02 62.83 Favored Pre-proline 0 C--O 1.168 -3.233 0 N-CA-C 115.068 1.507 . . . . 28.170000000000002 115.068 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 17' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -71.82 145.63 46.27 Favored 'Trans proline' 0 C--O 1.173 -2.76 0 C-N-CA 114.749 -3.034 . . . . 34.509999999999998 112.972 177.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 105.775 -1.935 . . . . 51.310000000000002 105.775 174.312 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.952 0.406 . . . . 51.649999999999999 110.412 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.1 -162.51 54.13 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 122.423 1.013 . . . . 48.759999999999998 112.337 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 26' ' ' LEU . . . . . . . . . . . . . 31.2 mt -68.22 -30.04 69.01 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 114.376 -0.912 . . . . 33.549999999999997 111.815 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.58 49.11 15.55 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.845 -0.902 . . . . 24.969999999999999 110.845 -171.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -134.57 132.78 54.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.298 -1.001 . . . . 28.23 108.298 -175.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 29' ' ' SER . . . . . . . . . . . . . 67.9 m -102.45 135.8 43.41 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.149 -0.685 . . . . 28.620000000000001 109.149 172.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.62 159.47 42.61 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 CA-C-O 121.934 0.873 . . . . 20.600000000000001 109.086 -177.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 31' ' ' LYS . . . . . . . . . . . . . . . -149.08 145.31 27.18 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 114.791 -1.095 . . . . 33.960000000000001 108.672 -174.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.25 141.57 25.11 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.513 -0.851 . . . . 30.649999999999999 111.002 172.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 33' ' ' ASN . . . . . . . . . . . . . . . -107.76 143.02 36.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.344 -0.984 . . . . 47.079999999999998 108.344 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 34' ' ' ARG . . . . . . . . . . . . . . . -145.33 139.35 26.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.978 -0.749 . . . . 27.77 108.978 -178.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 35' ' ' SER . . . . . . . . . . . . . 4.0 t -92.76 118.1 30.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.268 -1.012 . . . . 27.969999999999999 108.268 169.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 36' ' ' LYS . . . . . . . . . . . . . . . -76.82 -34.45 57.9 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 118.889 -1.125 . . . . 33.909999999999997 111.951 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 37' ' ' GLU . . . . . . . . . . . . . . . -63.08 -34.08 76.84 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.438 -0.505 . . . . 38.32 111.812 176.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 38' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -103.22 5.24 37.5 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 113.021 0.749 . . . . 44.390000000000001 113.021 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 39' ' ' HIS . . . . . . . . . . . . . 24.6 m80 42.19 53.48 4.37 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.303 1.041 . . . . 44.390000000000001 111.515 -178.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.65 132.52 37.12 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.44 -0.8 . . . . 23.91 110.076 -174.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 41' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -73.39 140.99 46.98 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.809 0.693 . . . . 26.23 110.15 165.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 42' ' ' LEU . . . . . . . . . . . . . 55.3 mt -112.82 -6.66 13.81 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.805 1.039 . . . . 30.010000000000002 113.805 -175.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.31 -179.22 16.25 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 119.034 0.834 . . . . 16.140000000000001 111.844 178.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 44' ' ' ILE . . . . . . . . . . . . . 26.1 mm -104.32 130.22 55.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 113.999 -1.101 . . . . 23.41 108.729 -179.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 45' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.67 147.85 50.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.016 0.436 . . . . 19.100000000000001 110.389 -171.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 46' ' ' VAL . . . . . . . . . . . . . 96.6 t -74.26 119.22 21.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.24 -1.022 . . . . 17.579999999999998 108.24 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 47' ' ' LYS . . . . . . . . . . . . . . . -94.19 -38.73 10.92 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.242 -0.436 . . . . 24.800000000000001 111.454 -178.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 48' ' ' SER . . . . . . . . . . . . . 97.8 p -156.14 154.73 31.33 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.572 -0.851 . . . . 39.310000000000002 109.304 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.96 114.36 44.51 Favored 'Isoleucine or valine' 1 C--O 1.153 -4.015 0 N-CA-C 105.677 -1.972 . . . . 28.93 105.677 178.787 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' L' L ' 50' ' ' ILE . . . . . . . . . . . . . 89.0 mt -67.82 117.41 9.46 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.48 0 O-C-N 124.398 1.061 . . . . 38.090000000000003 112.621 -175.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -49.89 125.3 11.59 Favored 'General case' 0 C--O 1.181 -2.525 0 O-C-N 124.724 1.265 . . . . 60.229999999999997 109.389 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.72 8.02 87.95 Favored Glycine 1 C--O 1.158 -4.601 0 N-CA-C 121.42 3.328 . . . . 48.520000000000003 121.42 -177.214 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' L' L ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.07 -178.25 41.85 Favored Glycine 0 C--O 1.177 -3.425 0 CA-C-N 119.616 1.708 . . . . 33.079999999999998 111.635 173.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.06 92.29 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 118.607 1.203 . . . . 29.899999999999999 111.836 -173.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.57 80.61 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.005 -0.678 . . . . 23.02 111.228 178.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 56' ' ' SER . . . . . . . . . . . . . 47.8 t -63.99 -47.09 81.71 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.745 0.307 . . . . 39.119999999999997 111.286 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 57' ' ' LYS . . . . . . . . . . . . . . . -63.67 -31.92 73.24 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.188 -0.605 . . . . 35.0 111.099 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -79.52 -38.61 33.9 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.275 0.472 . . . . 36.189999999999998 112.275 -177.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.15 -10.08 67.42 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 117.398 1.719 . . . . 22.34 117.398 169.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 60' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -88.86 -19.82 25.4 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 119.687 1.744 . . . . 22.109999999999999 113.915 -171.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 61' ' ' LEU . . . . . . . . . . . . . 32.3 tp -80.01 146.31 32.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.31 0.576 . . . . 19.09 109.562 175.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 62' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -126.59 138.66 53.48 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.898 -0.592 . . . . 42.039999999999999 111.108 -175.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 63' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.89 140.71 12.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 119.376 -0.929 . . . . 26.73 109.12 174.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 64' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 77.8 0.16 2.78 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.622 2.369 . . . . 32.530000000000001 113.1 -178.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 65' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -55.44 140.08 41.32 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 120.089 1.313 . . . . 17.210000000000001 110.452 167.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 66' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -88.66 129.22 35.56 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.928 -1.138 . . . . 22.559999999999999 107.928 169.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 67' ' ' LEU . . . . . . . . . . . . . 55.1 mt -80.43 127.27 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.062 0.458 . . . . 20.48 110.135 177.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 68' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.27 -45.07 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 123.19 0.596 . . . . 18.170000000000002 111.21 -174.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 69' ' ' ALA . . . . . . . . . . . . . . . -152.66 148.14 26.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.58 -0.526 . . . . 17.579999999999998 109.58 -177.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 70' ' ' VAL . . . . . . . . . . . . . 98.9 t -124.94 118.67 53.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 107.79 -1.189 . . . . 31.039999999999999 107.79 172.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 71' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 48.34 41.14 15.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.668 0.747 . . . . 42.829999999999998 111.501 -177.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.64 -6.71 76.58 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 115.592 0.997 . . . . 34.270000000000003 115.592 177.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 73' ' ' GLU . . . . . . . . . . . . . . . -85.3 117.1 24.03 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 118.829 1.315 . . . . 26.98 108.538 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 74' ' ' SER . . . . . . . . . . . . . 20.5 t -83.19 143.59 30.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.311 0.577 . . . . 30.07 111.57 -173.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 75' ' ' LEU . . . . . . . . . . . . . 51.0 mt -99.67 -1.13 38.73 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.385 -0.825 . . . . 32.549999999999997 112.424 173.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 76' ' ' LEU . . . . . . . . . . . . . . . -80.65 155.93 26.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 122.213 1.006 . . . . 31.629999999999999 110.961 -176.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.56 20.0 78.17 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 114.901 -1.045 . . . . 34.899999999999999 113.582 -177.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 78' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -130.3 137.06 49.77 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.127 0.971 . . . . 42.880000000000003 109.403 -177.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.93 162.12 7.36 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.232 0.539 . . . . 30.170000000000002 109.612 169.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 80' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -60.2 -40.61 90.66 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.932 -0.707 . . . . 23.399999999999999 111.036 -171.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 81' ' ' GLN . . . . . . . . . . . . . . . -61.34 -44.77 96.62 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.357 -0.537 . . . . 27.280000000000001 111.305 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 82' ' ' GLU . . . . . . . . . . . . . . . -67.77 -36.52 80.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.934 -0.306 . . . . 53.359999999999999 111.359 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.65 82.96 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 120.681 -0.408 . . . . 20.949999999999999 111.207 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 84' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.1 -45.3 93.42 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 120.833 0.349 . . . . 41.659999999999997 111.222 174.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 85' ' ' GLU . . . . . . . . . . . . . . . -60.01 -44.13 94.77 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.61 -0.436 . . . . 32.060000000000002 110.53 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 86' ' ' THR . . . . . . . . . . . . . 99.7 m -59.34 -42.76 92.24 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 122.136 -0.352 . . . . 27.370000000000001 111.166 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.38 -50.72 72.67 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 120.847 0.356 . . . . 31.989999999999998 111.266 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 88' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -62.16 -43.46 98.78 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.268 -0.573 . . . . 55.170000000000002 110.599 -177.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 89' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -63.81 -43.3 96.68 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.792 -0.763 . . . . 46.210000000000001 110.845 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 90' ' ' SER . . . . . . . . . . . . . 65.6 p -69.8 -26.92 64.49 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.518 -0.473 . . . . 40.530000000000001 111.908 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 91' ' ' MET . . . . . . . . . . . . . 53.9 mmm -84.92 -13.07 51.97 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.74 -0.784 . . . . 36.93 112.54 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 92' ' ' SER . . . . . . . . . . . . . 54.8 p -71.2 -17.53 62.51 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.313 0.857 . . . . 29.260000000000002 113.313 -172.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 93' ' ' THR . . . . . . . . . . . . . 62.0 p -97.62 0.71 47.75 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.563 0.579 . . . . 33.359999999999999 112.563 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 94' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.124 0 C-N-CA 123.584 0.754 . . . . 39.600000000000001 111.381 -177.432 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 98' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 . . . . . 0 N--CA 1.461 0.099 0 CA-C-O 121.094 0.473 . . . . 57.189999999999998 111.778 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.02 -173.71 41.92 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.527 -1.029 . . . . 35.259999999999998 110.527 -178.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 100' ' ' MET . . . . . . . . . . . . . 32.3 tpp -152.87 125.38 8.22 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.169 -0.678 . . . . 41.969999999999999 109.169 -173.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 101' ' ' ILE . . . . . . . . . . . . . . . -109.45 119.62 59.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 107.769 -1.197 . . . . 34.640000000000001 107.769 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 102' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -90.44 119.18 30.51 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.129 -1.063 . . . . 38.969999999999999 108.129 174.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -109.92 140.06 44.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.04 0.448 . . . . 22.260000000000002 110.461 -178.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 104' ' ' ILE . . . . . . . . . . . . . 56.6 mt -112.94 129.14 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.883 -1.525 . . . . 20.420000000000002 106.883 163.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 105' ' ' VAL . . . . . . . . . . . . . 27.7 m -128.8 165.35 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.759 -0.83 . . . . 17.68 108.759 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 106' ' ' ALA . . . . . . . . . . . . . . . -119.11 123.59 44.79 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.322 -1.362 . . . . 14.58 107.322 171.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 107' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -127.47 136.93 52.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.021 -0.733 . . . . 19.760000000000002 109.021 -170.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 108' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 113.198 0.814 . . . . 37.439999999999998 113.198 -171.444 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.216 0.055 . . . . 49.909999999999997 110.884 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.2 mt -114.71 122.73 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 107.491 -1.3 . . . . 32.719999999999999 107.491 174.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . . . -117.04 145.87 22.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 122.177 0.989 . . . . 32.630000000000003 108.487 178.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.3 m -108.91 128.27 54.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.272 -0.877 . . . . 31.600000000000001 109.103 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.5 mt . . . . . 0 C--N 1.331 -0.215 0 O-C-N 123.698 0.624 . . . . 41.649999999999999 110.048 -178.694 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 5' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.385 0 CA-C-O 122.606 1.193 . . . . 45.16 107.842 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 6' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -92.31 -33.35 14.65 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 113.81 -1.541 . . . . 28.63 112.166 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.02 -164.13 54.69 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-O 122.198 0.888 . . . . 21.39 112.786 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 8' ' ' THR . . . . . . . . . . . . . 40.3 m -102.75 118.75 37.52 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.91 -1.145 . . . . 24.58 107.91 170.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 9' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' L' ' 108' ' ' ARG . 69.7 mtt180 -115.21 146.94 40.93 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.507 0.67 . . . . 20.14 111.851 -171.555 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' L' L ' 10' ' ' GLU . . . . . . . . . . . . . . . -101.64 148.83 24.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.96 -1.018 . . . . 21.66 108.76 175.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -85.87 128.02 34.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.235 -0.439 . . . . 22.94 110.806 174.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 12' ' ' LEU . . . . . . . . . . . . . 77.7 mt -126.27 153.55 44.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 124.068 0.947 . . . . 22.15 109.134 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 13' ' ' THR . . . . . . . . . . . . . 8.9 t -138.51 149.27 45.2 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.471 -0.892 . . . . 20.48 109.58 174.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 14' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -157.39 164.45 37.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.517 -1.219 . . . . 25.09 107.956 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -111.05 124.2 51.71 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 114.966 -1.015 . . . . 56.86 108.761 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 16' ' ' VAL . . . . . . . . . . . . . 18.9 t -106.36 109.02 62.83 Favored Pre-proline 0 C--O 1.168 -3.233 0 N-CA-C 115.068 1.507 . . . . 28.17 115.068 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 17' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -71.82 145.63 46.27 Favored 'Trans proline' 0 C--O 1.173 -2.76 0 C-N-CA 114.749 -3.034 . . . . 34.51 112.972 177.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 105.775 -1.935 . . . . 51.31 105.775 174.312 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.952 0.406 . . . . 51.65 110.412 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.1 -162.51 54.13 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 122.423 1.013 . . . . 48.76 112.337 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 26' ' ' LEU . . . . . . . . . . . . . 31.2 mt -68.22 -30.04 69.01 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 114.376 -0.912 . . . . 33.55 111.815 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.58 49.11 15.55 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.845 -0.902 . . . . 24.97 110.845 -171.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -134.57 132.78 54.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.298 -1.001 . . . . 28.23 108.298 -175.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 29' ' ' SER . . . . . . . . . . . . . 67.9 m -102.45 135.8 43.41 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.149 -0.685 . . . . 28.62 109.149 172.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.62 159.47 42.61 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 CA-C-O 121.934 0.873 . . . . 20.6 109.086 -177.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 31' ' ' LYS . . . . . . . . . . . . . . . -149.08 145.31 27.18 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 114.791 -1.095 . . . . 33.96 108.672 -174.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.25 141.57 25.11 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.513 -0.851 . . . . 30.65 111.002 172.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 33' ' ' ASN . . . . . . . . . . . . . . . -107.76 143.02 36.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.344 -0.984 . . . . 47.08 108.344 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 34' ' ' ARG . . . . . . . . . . . . . . . -145.33 139.35 26.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.978 -0.749 . . . . 27.77 108.978 -178.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 35' ' ' SER . . . . . . . . . . . . . 4.0 t -92.76 118.1 30.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.268 -1.012 . . . . 27.97 108.268 169.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 36' ' ' LYS . . . . . . . . . . . . . . . -76.82 -34.45 57.9 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 118.889 -1.125 . . . . 33.91 111.951 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 37' ' ' GLU . . . . . . . . . . . . . . . -63.08 -34.08 76.84 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.438 -0.505 . . . . 38.32 111.812 176.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 38' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -103.22 5.24 37.5 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 113.021 0.749 . . . . 44.39 113.021 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 39' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 42.19 53.48 4.37 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.303 1.041 . . . . 44.39 111.515 -178.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.65 132.52 37.12 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.44 -0.8 . . . . 23.91 110.076 -174.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 41' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -73.39 140.99 46.98 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.809 0.693 . . . . 26.23 110.15 165.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 42' ' ' LEU . . . . . . . . . . . . . 55.3 mt -112.82 -6.66 13.81 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.805 1.039 . . . . 30.01 113.805 -175.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.31 -179.22 16.25 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 119.034 0.834 . . . . 16.14 111.844 178.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 44' ' ' ILE . . . . . . . . . . . . . 26.1 mm -104.32 130.22 55.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 113.999 -1.101 . . . . 23.41 108.729 -179.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 45' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.67 147.85 50.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.016 0.436 . . . . 19.1 110.389 -171.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 46' ' ' VAL . . . . . . . . . . . . . 96.6 t -74.26 119.22 21.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.24 -1.022 . . . . 17.58 108.24 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 47' ' ' LYS . . . . . . . . . . . . . . . -94.19 -38.73 10.92 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.242 -0.436 . . . . 24.8 111.454 -178.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 48' ' ' SER . . . . . . . . . . . . . 97.8 p -156.14 154.73 31.33 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.572 -0.851 . . . . 39.31 109.304 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.96 114.36 44.51 Favored 'Isoleucine or valine' 1 C--O 1.153 -4.015 0 N-CA-C 105.677 -1.972 . . . . 28.93 105.677 178.787 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' L' L ' 50' ' ' ILE . . . . . . . . . . . . . 89.0 mt -67.82 117.41 9.46 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.48 0 O-C-N 124.398 1.061 . . . . 38.09 112.621 -175.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -49.89 125.3 11.59 Favored 'General case' 0 C--O 1.181 -2.525 0 O-C-N 124.724 1.265 . . . . 60.23 109.389 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.72 8.02 87.95 Favored Glycine 1 C--O 1.158 -4.601 0 N-CA-C 121.42 3.328 . . . . 48.52 121.42 -177.214 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' L' L ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.07 -178.25 41.85 Favored Glycine 0 C--O 1.177 -3.425 0 CA-C-N 119.616 1.708 . . . . 33.08 111.635 173.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.06 92.29 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 118.607 1.203 . . . . 29.9 111.836 -173.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.57 80.61 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.005 -0.678 . . . . 23.02 111.228 178.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 56' ' ' SER . . . . . . . . . . . . . 47.8 t -63.99 -47.09 81.71 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.745 0.307 . . . . 39.12 111.286 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 57' ' ' LYS . . . . . . . . . . . . . . . -63.67 -31.92 73.24 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.188 -0.605 . . . . 35.0 111.099 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -79.52 -38.61 33.9 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.275 0.472 . . . . 36.19 112.275 -177.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.15 -10.08 67.42 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 117.398 1.719 . . . . 22.34 117.398 169.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 60' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -88.86 -19.82 25.4 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 119.687 1.744 . . . . 22.11 113.915 -171.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 61' ' ' LEU . . . . . . . . . . . . . 32.3 tp -80.01 146.31 32.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.31 0.576 . . . . 19.09 109.562 175.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 62' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -126.59 138.66 53.48 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.898 -0.592 . . . . 42.04 111.108 -175.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 63' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.89 140.71 12.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 119.376 -0.929 . . . . 26.73 109.12 174.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 64' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 77.8 0.16 2.78 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.622 2.369 . . . . 32.53 113.1 -178.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 65' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -55.44 140.08 41.32 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 120.089 1.313 . . . . 17.21 110.452 167.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 66' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -88.66 129.22 35.56 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.928 -1.138 . . . . 22.56 107.928 169.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 67' ' ' LEU . . . . . . . . . . . . . 55.1 mt -80.43 127.27 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.062 0.458 . . . . 20.48 110.135 177.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 68' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.27 -45.07 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 123.19 0.596 . . . . 18.17 111.21 -174.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 69' ' ' ALA . . . . . . . . . . . . . . . -152.66 148.14 26.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.58 -0.526 . . . . 17.58 109.58 -177.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 70' ' ' VAL . . . . . . . . . . . . . 98.9 t -124.94 118.67 53.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 107.79 -1.189 . . . . 31.04 107.79 172.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 71' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 48.34 41.14 15.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.668 0.747 . . . . 42.83 111.501 -177.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.64 -6.71 76.58 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 115.592 0.997 . . . . 34.27 115.592 177.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 73' ' ' GLU . . . . . . . . . . . . . . . -85.3 117.1 24.03 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 118.829 1.315 . . . . 26.98 108.538 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 74' ' ' SER . . . . . . . . . . . . . 20.5 t -83.19 143.59 30.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.311 0.577 . . . . 30.07 111.57 -173.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 75' ' ' LEU . . . . . . . . . . . . . 51.0 mt -99.67 -1.13 38.73 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.385 -0.825 . . . . 32.55 112.424 173.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 76' ' ' LEU . . . . . . . . . . . . . . . -80.65 155.93 26.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 122.213 1.006 . . . . 31.63 110.961 -176.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.56 20.0 78.17 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 114.901 -1.045 . . . . 34.9 113.582 -177.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 78' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -130.3 137.06 49.77 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.127 0.971 . . . . 42.88 109.403 -177.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.93 162.12 7.36 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.232 0.539 . . . . 30.17 109.612 169.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 80' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -60.2 -40.61 90.66 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.932 -0.707 . . . . 23.4 111.036 -171.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 81' ' ' GLN . . . . . . . . . . . . . . . -61.34 -44.77 96.62 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.357 -0.537 . . . . 27.28 111.305 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 82' ' ' GLU . . . . . . . . . . . . . . . -67.77 -36.52 80.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.934 -0.306 . . . . 53.36 111.359 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.65 82.96 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 120.681 -0.408 . . . . 20.95 111.207 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 84' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.1 -45.3 93.42 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 120.833 0.349 . . . . 41.66 111.222 174.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 85' ' ' GLU . . . . . . . . . . . . . . . -60.01 -44.13 94.77 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.61 -0.436 . . . . 32.06 110.53 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 86' ' ' THR . . . . . . . . . . . . . 99.7 m -59.34 -42.76 92.24 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 122.136 -0.352 . . . . 27.37 111.166 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.38 -50.72 72.67 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 120.847 0.356 . . . . 31.99 111.266 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 88' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -62.16 -43.46 98.78 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.268 -0.573 . . . . 55.17 110.599 -177.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 89' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -63.81 -43.3 96.68 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.792 -0.763 . . . . 46.21 110.845 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 90' ' ' SER . . . . . . . . . . . . . 65.6 p -69.8 -26.92 64.49 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.518 -0.473 . . . . 40.53 111.908 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 91' ' ' MET . . . . . . . . . . . . . 53.9 mmm -84.92 -13.07 51.97 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.74 -0.784 . . . . 36.93 112.54 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 92' ' ' SER . . . . . . . . . . . . . 54.8 p -71.2 -17.53 62.51 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.313 0.857 . . . . 29.26 113.313 -172.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 93' ' ' THR . . . . . . . . . . . . . 62.0 p -97.62 0.71 47.75 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.563 0.579 . . . . 33.36 112.563 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 94' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.124 0 C-N-CA 123.584 0.754 . . . . 39.6 111.381 -177.432 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 98' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 . . . . . 0 N--CA 1.461 0.099 0 CA-C-O 121.094 0.473 . . . . 57.19 111.778 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.02 -173.71 41.92 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.527 -1.029 . . . . 35.26 110.527 -178.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 100' ' ' MET . . . . . . . . . . . . . 32.3 tpp -152.87 125.38 8.22 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.169 -0.678 . . . . 41.97 109.169 -173.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 101' ' ' ILE . . . . . . . . . . . . . . . -109.45 119.62 59.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 107.769 -1.197 . . . . 34.64 107.769 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 102' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -90.44 119.18 30.51 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.129 -1.063 . . . . 38.97 108.129 174.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -109.92 140.06 44.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.04 0.448 . . . . 22.26 110.461 -178.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 104' ' ' ILE . . . . . . . . . . . . . 56.6 mt -112.94 129.14 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.883 -1.525 . . . . 20.42 106.883 163.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 105' ' ' VAL . . . . . . . . . . . . . 27.7 m -128.8 165.35 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.759 -0.83 . . . . 17.68 108.759 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 106' ' ' ALA . . . . . . . . . . . . . . . -119.11 123.59 44.79 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.322 -1.362 . . . . 14.58 107.322 171.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 107' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -127.47 136.93 52.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.021 -0.733 . . . . 19.76 109.021 -170.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 108' ' ' ARG . . . . . 0.462 ' HA ' ' HG2' ' L' ' 9' ' ' ARG . . . . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 113.198 0.814 . . . . 37.44 113.198 -171.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.216 0.055 . . . . 49.91 110.884 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.2 mt -114.71 122.73 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 107.491 -1.3 . . . . 32.72 107.491 174.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . . . -117.04 145.87 22.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 122.177 0.989 . . . . 32.63 108.487 178.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.3 m -108.91 128.27 54.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.272 -0.877 . . . . 31.6 109.103 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.5 mt . . . . . 0 C--N 1.331 -0.215 0 O-C-N 123.698 0.624 . . . . 41.65 110.048 -178.694 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 5' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.385 0 CA-C-O 122.606 1.193 . . . . 45.16 107.842 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 6' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -92.31 -33.35 14.65 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 113.81 -1.541 . . . . 28.63 112.166 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.02 -164.13 54.69 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-O 122.198 0.888 . . . . 21.39 112.786 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 8' ' ' THR . . . . . . . . . . . . . 40.3 m -102.75 118.75 37.52 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.91 -1.145 . . . . 24.58 107.91 170.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 9' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' L' ' 108' ' ' ARG . 69.7 mtt180 -115.21 146.94 40.93 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.507 0.67 . . . . 20.14 111.851 -171.555 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' L' L ' 10' ' ' GLU . . . . . . . . . . . . . . . -101.64 148.83 24.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.96 -1.018 . . . . 21.66 108.76 175.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -85.87 128.02 34.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.235 -0.439 . . . . 22.94 110.806 174.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 12' ' ' LEU . . . . . . . . . . . . . 77.7 mt -126.27 153.55 44.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 124.068 0.947 . . . . 22.15 109.134 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 13' ' ' THR . . . . . . . . . . . . . 8.9 t -138.51 149.27 45.2 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.471 -0.892 . . . . 20.48 109.58 174.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 14' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -157.39 164.45 37.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.517 -1.219 . . . . 25.09 107.956 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -111.05 124.2 51.71 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 114.966 -1.015 . . . . 56.86 108.761 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 16' ' ' VAL . . . . . . . . . . . . . 18.9 t -106.36 109.02 62.83 Favored Pre-proline 0 C--O 1.168 -3.233 0 N-CA-C 115.068 1.507 . . . . 28.17 115.068 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 17' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -71.82 145.63 46.27 Favored 'Trans proline' 0 C--O 1.173 -2.76 0 C-N-CA 114.749 -3.034 . . . . 34.51 112.972 177.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 105.775 -1.935 . . . . 51.31 105.775 174.312 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.952 0.406 . . . . 51.65 110.412 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.1 -162.51 54.13 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 122.423 1.013 . . . . 48.76 112.337 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 26' ' ' LEU . . . . . . . . . . . . . 31.2 mt -68.22 -30.04 69.01 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 114.376 -0.912 . . . . 33.55 111.815 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.58 49.11 15.55 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.845 -0.902 . . . . 24.97 110.845 -171.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -134.57 132.78 54.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.298 -1.001 . . . . 28.23 108.298 -175.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 29' ' ' SER . . . . . . . . . . . . . 67.9 m -102.45 135.8 43.41 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.149 -0.685 . . . . 28.62 109.149 172.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.62 159.47 42.61 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 CA-C-O 121.934 0.873 . . . . 20.6 109.086 -177.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 31' ' ' LYS . . . . . . . . . . . . . . . -149.08 145.31 27.18 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 114.791 -1.095 . . . . 33.96 108.672 -174.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.25 141.57 25.11 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.513 -0.851 . . . . 30.65 111.002 172.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 33' ' ' ASN . . . . . . . . . . . . . . . -107.76 143.02 36.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.344 -0.984 . . . . 47.08 108.344 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 34' ' ' ARG . . . . . . . . . . . . . . . -145.33 139.35 26.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.978 -0.749 . . . . 27.77 108.978 -178.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 35' ' ' SER . . . . . . . . . . . . . 4.0 t -92.76 118.1 30.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.268 -1.012 . . . . 27.97 108.268 169.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 36' ' ' LYS . . . . . . . . . . . . . . . -76.82 -34.45 57.9 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 118.889 -1.125 . . . . 33.91 111.951 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 37' ' ' GLU . . . . . . . . . . . . . . . -63.08 -34.08 76.84 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.438 -0.505 . . . . 38.32 111.812 176.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 38' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -103.22 5.24 37.5 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 113.021 0.749 . . . . 44.39 113.021 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 39' ' ' HIS . . . . . . . . . . . . . 24.6 m80 42.19 53.48 4.37 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.303 1.041 . . . . 44.39 111.515 -178.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.65 132.52 37.12 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.44 -0.8 . . . . 23.91 110.076 -174.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 41' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -73.39 140.99 46.98 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.809 0.693 . . . . 26.23 110.15 165.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 42' ' ' LEU . . . . . . . . . . . . . 55.3 mt -112.82 -6.66 13.81 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.805 1.039 . . . . 30.01 113.805 -175.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.31 -179.22 16.25 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 119.034 0.834 . . . . 16.14 111.844 178.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 44' ' ' ILE . . . . . . . . . . . . . 26.1 mm -104.32 130.22 55.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 113.999 -1.101 . . . . 23.41 108.729 -179.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 45' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.67 147.85 50.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.016 0.436 . . . . 19.1 110.389 -171.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 46' ' ' VAL . . . . . . . . . . . . . 96.6 t -74.26 119.22 21.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.24 -1.022 . . . . 17.58 108.24 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 47' ' ' LYS . . . . . . . . . . . . . . . -94.19 -38.73 10.92 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.242 -0.436 . . . . 24.8 111.454 -178.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 48' ' ' SER . . . . . . . . . . . . . 97.8 p -156.14 154.73 31.33 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.572 -0.851 . . . . 39.31 109.304 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.96 114.36 44.51 Favored 'Isoleucine or valine' 1 C--O 1.153 -4.015 0 N-CA-C 105.677 -1.972 . . . . 28.93 105.677 178.787 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' L' L ' 50' ' ' ILE . . . . . . . . . . . . . 89.0 mt -67.82 117.41 9.46 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.48 0 O-C-N 124.398 1.061 . . . . 38.09 112.621 -175.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -49.89 125.3 11.59 Favored 'General case' 0 C--O 1.181 -2.525 0 O-C-N 124.724 1.265 . . . . 60.23 109.389 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.72 8.02 87.95 Favored Glycine 1 C--O 1.158 -4.601 0 N-CA-C 121.42 3.328 . . . . 48.52 121.42 -177.214 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' L' L ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.07 -178.25 41.85 Favored Glycine 0 C--O 1.177 -3.425 0 CA-C-N 119.616 1.708 . . . . 33.08 111.635 173.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.06 92.29 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 118.607 1.203 . . . . 29.9 111.836 -173.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.57 80.61 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.005 -0.678 . . . . 23.02 111.228 178.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 56' ' ' SER . . . . . . . . . . . . . 47.8 t -63.99 -47.09 81.71 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.745 0.307 . . . . 39.12 111.286 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 57' ' ' LYS . . . . . . . . . . . . . . . -63.67 -31.92 73.24 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.188 -0.605 . . . . 35.0 111.099 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -79.52 -38.61 33.9 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.275 0.472 . . . . 36.19 112.275 -177.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.15 -10.08 67.42 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 117.398 1.719 . . . . 22.34 117.398 169.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 60' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -88.86 -19.82 25.4 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 119.687 1.744 . . . . 22.11 113.915 -171.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 61' ' ' LEU . . . . . . . . . . . . . 32.3 tp -80.01 146.31 32.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.31 0.576 . . . . 19.09 109.562 175.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 62' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -126.59 138.66 53.48 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.898 -0.592 . . . . 42.04 111.108 -175.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 63' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.89 140.71 12.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 119.376 -0.929 . . . . 26.73 109.12 174.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 64' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 77.8 0.16 2.78 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.622 2.369 . . . . 32.53 113.1 -178.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 65' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -55.44 140.08 41.32 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 120.089 1.313 . . . . 17.21 110.452 167.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 66' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -88.66 129.22 35.56 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.928 -1.138 . . . . 22.56 107.928 169.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 67' ' ' LEU . . . . . . . . . . . . . 55.1 mt -80.43 127.27 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.062 0.458 . . . . 20.48 110.135 177.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 68' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.27 -45.07 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 123.19 0.596 . . . . 18.17 111.21 -174.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 69' ' ' ALA . . . . . . . . . . . . . . . -152.66 148.14 26.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.58 -0.526 . . . . 17.58 109.58 -177.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 70' ' ' VAL . . . . . . . . . . . . . 98.9 t -124.94 118.67 53.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 107.79 -1.189 . . . . 31.04 107.79 172.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 71' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 48.34 41.14 15.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.668 0.747 . . . . 42.83 111.501 -177.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.64 -6.71 76.58 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 115.592 0.997 . . . . 34.27 115.592 177.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 73' ' ' GLU . . . . . . . . . . . . . . . -85.3 117.1 24.03 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 118.829 1.315 . . . . 26.98 108.538 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 74' ' ' SER . . . . . . . . . . . . . 20.5 t -83.19 143.59 30.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.311 0.577 . . . . 30.07 111.57 -173.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 75' ' ' LEU . . . . . . . . . . . . . 51.0 mt -99.67 -1.13 38.73 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.385 -0.825 . . . . 32.55 112.424 173.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 76' ' ' LEU . . . . . . . . . . . . . . . -80.65 155.93 26.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 122.213 1.006 . . . . 31.63 110.961 -176.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.56 20.0 78.17 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 114.901 -1.045 . . . . 34.9 113.582 -177.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 78' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -130.3 137.06 49.77 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.127 0.971 . . . . 42.88 109.403 -177.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.93 162.12 7.36 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.232 0.539 . . . . 30.17 109.612 169.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 80' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -60.2 -40.61 90.66 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.932 -0.707 . . . . 23.4 111.036 -171.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 81' ' ' GLN . . . . . . . . . . . . . . . -61.34 -44.77 96.62 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.357 -0.537 . . . . 27.28 111.305 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 82' ' ' GLU . . . . . . . . . . . . . . . -67.77 -36.52 80.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.934 -0.306 . . . . 53.36 111.359 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.65 82.96 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 120.681 -0.408 . . . . 20.95 111.207 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 84' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.1 -45.3 93.42 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 120.833 0.349 . . . . 41.66 111.222 174.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 85' ' ' GLU . . . . . . . . . . . . . . . -60.01 -44.13 94.77 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.61 -0.436 . . . . 32.06 110.53 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 86' ' ' THR . . . . . . . . . . . . . 99.7 m -59.34 -42.76 92.24 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 122.136 -0.352 . . . . 27.37 111.166 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.38 -50.72 72.67 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 120.847 0.356 . . . . 31.99 111.266 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 88' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -62.16 -43.46 98.78 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.268 -0.573 . . . . 55.17 110.599 -177.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 89' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -63.81 -43.3 96.68 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.792 -0.763 . . . . 46.21 110.845 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 90' ' ' SER . . . . . . . . . . . . . 65.6 p -69.8 -26.92 64.49 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.518 -0.473 . . . . 40.53 111.908 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 91' ' ' MET . . . . . . . . . . . . . 53.9 mmm -84.92 -13.07 51.97 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.74 -0.784 . . . . 36.93 112.54 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 92' ' ' SER . . . . . . . . . . . . . 54.8 p -71.2 -17.53 62.51 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.313 0.857 . . . . 29.26 113.313 -172.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 93' ' ' THR . . . . . . . . . . . . . 62.0 p -97.62 0.71 47.75 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.563 0.579 . . . . 33.36 112.563 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 94' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.124 0 C-N-CA 123.584 0.754 . . . . 39.6 111.381 -177.432 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 98' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 . . . . . 0 N--CA 1.461 0.099 0 CA-C-O 121.094 0.473 . . . . 57.19 111.778 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.02 -173.71 41.92 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.527 -1.029 . . . . 35.26 110.527 -178.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 100' ' ' MET . . . . . . . . . . . . . 32.3 tpp -152.87 125.38 8.22 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.169 -0.678 . . . . 41.97 109.169 -173.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 101' ' ' ILE . . . . . . . . . . . . . . . -109.45 119.62 59.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 107.769 -1.197 . . . . 34.64 107.769 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 102' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -90.44 119.18 30.51 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.129 -1.063 . . . . 38.97 108.129 174.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -109.92 140.06 44.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.04 0.448 . . . . 22.26 110.461 -178.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 104' ' ' ILE . . . . . . . . . . . . . 56.6 mt -112.94 129.14 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.883 -1.525 . . . . 20.42 106.883 163.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 105' ' ' VAL . . . . . . . . . . . . . 27.7 m -128.8 165.35 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.759 -0.83 . . . . 17.68 108.759 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 106' ' ' ALA . . . . . . . . . . . . . . . -119.11 123.59 44.79 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.322 -1.362 . . . . 14.58 107.322 171.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 107' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -127.47 136.93 52.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.021 -0.733 . . . . 19.76 109.021 -170.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 108' ' ' ARG . . . . . 0.462 ' HA ' ' HG2' ' L' ' 9' ' ' ARG . . . . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 113.198 0.814 . . . . 37.44 113.198 -171.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.216 0.055 . . . . 49.91 110.884 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.2 mt -114.71 122.73 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 107.491 -1.3 . . . . 32.72 107.491 174.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . . . -117.04 145.87 22.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 122.177 0.989 . . . . 32.63 108.487 178.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.3 m -108.91 128.27 54.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.272 -0.877 . . . . 31.6 109.103 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.5 mt . . . . . 0 C--N 1.331 -0.215 0 O-C-N 123.698 0.624 . . . . 41.65 110.048 -178.694 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_