data_3gk1_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 3gk1 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.8 -0.815 . . . . 43.23 108.8 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.4 -32.77 73.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.226 1.195 . . . . 58.12 114.226 174.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -48.19 69.55 Favored 'General case' 0 C--O 1.249 1.032 0 CA-C-N 118.547 0.612 . . . . 41.12 111.536 176.617 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -58.33 -38.31 76.88 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.881 -0.512 . . . . 41.1 110.65 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -57.47 -45.18 85.09 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 114.182 1.178 . . . . 53.13 114.182 173.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -46.01 89.52 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 124.023 0.929 . . . . 44.04 111.711 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.9 t -53.65 -46.95 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 120.401 -0.52 . . . . 43.64 112.276 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.257 1.0 OUTLIER -76.31 -27.6 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 118.643 -1.223 . . . . 44.39 112.082 -176.477 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.07 98.83 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 113.259 0.837 . . . . 44.17 113.259 170.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.33 -49.06 79.1 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.131 0.491 . . . . 45.96 111.696 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -57.39 -50.0 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.058 -0.519 . . . . 44.7 109.996 174.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.52 -43.56 93.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 118.468 -1.293 . . . . 57.88 113.04 -172.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.4 p -66.1 -42.61 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 120.391 -0.523 . . . . 45.87 112.002 -176.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -55.35 -40.28 71.06 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.553 0.692 . . . . 46.06 109.408 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.253 9.0 m80 -77.11 -33.19 56.89 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 115.933 1.827 . . . . 55.36 115.933 -175.05 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -65.68 -33.34 75.65 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 117.043 -1.863 . . . . 61.32 110.395 175.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -84.74 -42.74 14.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.358 0.873 . . . . 45.01 113.358 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p -67.06 -35.91 80.89 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 113.292 0.849 . . . . 44.17 113.292 -174.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.53 -2.39 68.64 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 117.654 1.821 . . . . 43.73 117.654 -178.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -60.68 -49.89 75.68 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.737 1.014 . . . . 46.16 113.737 -178.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -145.27 154.48 42.41 Favored 'General case' 0 C--O 1.246 0.891 0 O-C-N 122.278 -0.264 . . . . 53.36 110.961 -173.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.43 48.62 Favored Glycine 0 C--O 1.241 0.539 0 CA-C-N 115.73 -0.668 . . . . 45.8 113.235 -178.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -57.4 115.78 2.93 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 124.024 0.93 . . . . 47.01 111.321 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -74.36 -5.69 43.8 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.527 -0.76 . . . . 52.68 111.186 -174.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -108.5 6.15 25.86 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 113.425 0.898 . . . . 49.82 113.425 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -139.04 151.89 47.14 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 121.518 -0.739 . . . . 50.6 110.094 -177.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.68 114.71 26.68 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 124.532 1.145 . . . . 44.61 108.954 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 176.26 9.86 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.711 -1.218 . . . . 53.27 107.711 171.209 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -56.67 -43.5 80.49 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.08 1.511 . . . . 49.79 115.08 -173.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.5 p -67.98 -36.32 79.84 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.561 0.949 . . . . 47.79 113.561 -178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -67.8 -46.0 73.17 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.811 1.041 . . . . 44.54 113.811 172.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -45.49 72.86 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 122.204 -0.31 . . . . 44.49 110.781 169.875 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -62.44 -43.21 99.37 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.529 0.68 . . . . 58.5 111.536 -175.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -66.65 -40.82 88.84 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.902 -0.59 . . . . 50.77 112.032 179.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tt -56.01 -53.64 54.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 119.415 -0.326 . . . . 44.42 110.138 175.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.24 -45.87 95.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 112.482 0.549 . . . . 45.25 112.482 -179.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -66.59 -39.04 88.22 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 115.688 1.736 . . . . 45.52 115.688 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -89.33 -32.63 17.25 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 113.006 0.743 . . . . 43.34 113.006 -176.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -112.32 -8.56 13.92 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 114.427 1.269 . . . . 45.27 114.427 -168.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.2 mt -129.55 32.71 4.59 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.836 0.68 . . . . 43.06 112.836 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 p -68.62 -10.95 59.21 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.885 1.439 . . . . 45.94 114.885 -173.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -99.08 -20.13 16.85 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 119.281 -0.968 . . . . 50.86 112.858 176.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -99.23 -32.28 11.29 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.058 0.392 . . . . 50.48 112.058 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.1 mt -126.78 148.48 49.92 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 121.035 -0.266 . . . . 46.18 111.536 -173.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.74 134.98 53.29 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.069 0.548 . . . . 56.25 109.75 175.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -50.6 130.34 24.03 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 122.851 0.46 . . . . 50.05 111.705 174.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.5 mt -88.28 116.9 30.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 N-CA-C 108.796 -0.816 . . . . 42.03 108.796 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -118.58 -3.61 10.86 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.887 1.069 . . . . 45.12 113.887 -179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -123.93 142.23 51.33 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.395 -0.965 . . . . 59.93 108.395 -172.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -64.83 -36.67 85.1 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 123.451 0.47 . . . . 48.45 110.035 -177.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.29 -24.31 67.61 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 119.6 -0.84 . . . . 48.94 113.161 -179.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.7 t -81.43 -42.9 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 110.32 -0.252 . . . . 43.6 110.32 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.9 t -49.24 -53.18 9.06 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 C-N-CA 123.555 0.742 . . . . 45.56 110.131 168.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -58.74 -47.04 86.0 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.448 1.099 . . . . 43.56 112.456 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -36.87 81.27 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.159 1.17 . . . . 55.41 114.159 178.81 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.6 t -66.01 -48.34 82.05 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 108.728 -0.841 . . . . 44.84 108.728 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.7 tpp -61.51 -40.0 93.03 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.249 0.343 . . . . 46.9 111.787 176.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -58.62 -38.86 78.93 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.524 0.678 . . . . 52.88 109.319 -179.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.7 m -70.34 -41.62 72.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.438 0.903 . . . . 48.52 113.438 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -80.76 -21.28 41.2 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.64 0.978 . . . . 49.25 113.64 -176.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -84.19 78.81 9.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.467 1.107 . . . . 45.14 112.001 -169.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -67.06 -38.81 86.46 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.861 1.8 . . . . 46.47 115.861 -173.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -93.56 -3.25 53.08 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.151 0.501 . . . . 50.57 112.245 -175.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.22 18.1 72.55 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 119.319 2.488 . . . . 47.13 119.319 170.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -88.86 7.26 35.16 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 115.98 1.844 . . . . 46.27 115.98 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.94 -6.89 72.82 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 119.765 -1.207 . . . . 47.38 116.002 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -131.19 167.83 18.51 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 118.848 1.324 . . . . 50.56 111.221 178.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.2 t -102.17 108.0 19.26 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 124.041 0.838 . . . . 44.48 110.34 178.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -84.13 -177.48 6.67 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 112.928 0.714 . . . . 47.47 112.928 173.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -64.25 -42.3 96.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 114.977 1.473 . . . . 46.45 114.977 -171.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -61.53 -38.64 88.17 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 112.265 0.468 . . . . 59.41 112.265 177.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -69.62 -39.44 77.17 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.262 1.025 . . . . 45.15 110.296 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.75 -43.18 94.39 Favored 'General case' 0 CA--C 1.509 -0.608 0 C-N-CA 120.564 -0.454 . . . . 47.44 110.236 173.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.1 mmm -59.89 -39.14 84.35 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 114.047 1.128 . . . . 58.44 114.047 177.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.26 83.89 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.704 0.631 . . . . 43.64 112.704 173.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -62.0 -48.43 80.36 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.604 0.565 . . . . 48.27 110.745 173.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.17 -48.94 65.38 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 121.889 -0.507 . . . . 44.84 111.412 172.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.34 71.08 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.66 0.615 . . . . 44.52 112.66 178.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 37.5 mtt -65.3 -43.62 90.54 Favored 'General case' 0 C--O 1.206 -1.22 0 N-CA-C 112.822 0.675 . . . . 54.64 112.822 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 61.3 mt -69.1 -42.97 82.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 121.715 -0.616 . . . . 49.94 109.803 -177.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.3 m -60.71 -42.43 97.21 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-N 115.083 -0.962 . . . . 44.73 112.344 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.3 m -66.37 -42.87 87.36 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.022 -0.671 . . . . 44.23 109.596 178.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.5 93.74 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.292 0.568 . . . . 45.47 110.852 178.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.22 -42.2 89.02 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-N 116.064 -0.516 . . . . 51.51 111.377 174.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -54.91 -35.04 63.71 Favored 'General case' 0 C--O 1.254 1.308 0 N-CA-C 114.197 1.184 . . . . 48.49 114.197 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -107.71 -2.75 19.8 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 115.423 1.638 . . . . 60.78 115.423 -174.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.06 -30.13 67.83 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 107.928 -1.138 . . . . 51.71 107.928 164.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PHE . . . . . 0.632 ' O ' ' O ' ' A' ' 131' ' ' HOH . 96.2 m-85 . . . . . 0 N--CA 1.473 0.675 0 N-CA-C 114.165 1.172 . . . . 51.52 114.165 -171.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' 32A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CAC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . 0.632 ' O ' ' O ' ' A' ' 88' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.8 -0.815 . . . . 43.229999999999997 108.8 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.4 -32.77 73.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.226 1.195 . . . . 58.119999999999997 114.226 174.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -48.19 69.55 Favored 'General case' 0 C--O 1.249 1.032 0 CA-C-N 118.547 0.612 . . . . 41.119999999999997 111.536 176.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -58.33 -38.31 76.88 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.881 -0.512 . . . . 41.100000000000001 110.65 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -57.47 -45.18 85.09 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 114.182 1.178 . . . . 53.130000000000003 114.182 173.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -46.01 89.52 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 124.023 0.929 . . . . 44.039999999999999 111.711 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.9 t -53.65 -46.95 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 120.401 -0.52 . . . . 43.640000000000001 112.276 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.257 1.0 OUTLIER -76.31 -27.6 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 118.643 -1.223 . . . . 44.390000000000001 112.082 -176.477 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.07 98.83 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 113.259 0.837 . . . . 44.170000000000002 113.259 170.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.33 -49.06 79.1 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.131 0.491 . . . . 45.960000000000001 111.696 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -57.39 -50.0 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.058 -0.519 . . . . 44.700000000000003 109.996 174.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.52 -43.56 93.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 118.468 -1.293 . . . . 57.880000000000003 113.04 -172.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.4 p -66.1 -42.61 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 120.391 -0.523 . . . . 45.869999999999997 112.002 -176.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -55.35 -40.28 71.06 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.553 0.692 . . . . 46.060000000000002 109.408 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . 0.458 ' HD2' ' O ' ' A' ' 121' ' ' HOH 0.253 9.0 m80 -77.11 -33.19 56.89 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 115.933 1.827 . . . . 55.359999999999999 115.933 -175.05 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -65.68 -33.34 75.65 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 117.043 -1.863 . . . . 61.32 110.395 175.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -84.74 -42.74 14.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.358 0.873 . . . . 45.009999999999998 113.358 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p -67.06 -35.91 80.89 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 113.292 0.849 . . . . 44.170000000000002 113.292 -174.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.53 -2.39 68.64 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 117.654 1.821 . . . . 43.729999999999997 117.654 -178.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -60.68 -49.89 75.68 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.737 1.014 . . . . 46.159999999999997 113.737 -178.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.616 ' HB2' ' HE2' ' A' ' 28' ' ' LYS . 7.4 mt-10 -145.27 154.48 42.41 Favored 'General case' 0 C--O 1.246 0.891 0 O-C-N 122.278 -0.264 . . . . 53.359999999999999 110.961 -173.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.43 48.62 Favored Glycine 0 C--O 1.241 0.539 0 CA-C-N 115.73 -0.668 . . . . 45.799999999999997 113.235 -178.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -57.4 115.78 2.93 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 124.024 0.93 . . . . 47.009999999999998 111.321 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -74.36 -5.69 43.8 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.527 -0.76 . . . . 52.68 111.186 -174.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -108.5 6.15 25.86 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 113.425 0.898 . . . . 49.82 113.425 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -139.04 151.89 47.14 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 121.518 -0.739 . . . . 50.600000000000001 110.094 -177.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 68' ' ' CYS . 85.0 mt -94.68 114.71 26.68 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 124.532 1.145 . . . . 44.609999999999999 108.954 179.05 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.616 ' HE2' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -81.4 176.26 9.86 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.711 -1.218 . . . . 53.270000000000003 107.711 171.209 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -56.67 -43.5 80.49 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.08 1.511 . . . . 49.789999999999999 115.08 -173.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 54.5 p -67.98 -36.32 79.84 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.561 0.949 . . . . 47.789999999999999 113.561 -178.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -67.8 -46.0 73.17 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.811 1.041 . . . . 44.539999999999999 113.811 172.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -45.49 72.86 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 122.204 -0.31 . . . . 44.490000000000002 110.781 169.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -62.44 -43.21 99.37 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.529 0.68 . . . . 58.5 111.536 -175.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 30' ' ' SER . 24.3 mm-40 -66.65 -40.82 88.84 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.902 -0.59 . . . . 50.770000000000003 112.032 179.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tt -56.01 -53.64 54.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 119.415 -0.326 . . . . 44.420000000000002 110.138 175.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.24 -45.87 95.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 112.482 0.549 . . . . 45.25 112.482 -179.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -66.59 -39.04 88.22 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 115.688 1.736 . . . . 45.520000000000003 115.688 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -89.33 -32.63 17.25 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 113.006 0.743 . . . . 43.340000000000003 113.006 -176.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -112.32 -8.56 13.92 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 114.427 1.269 . . . . 45.270000000000003 114.427 -168.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.2 mt -129.55 32.71 4.59 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.836 0.68 . . . . 43.060000000000002 112.836 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 p -68.62 -10.95 59.21 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.885 1.439 . . . . 45.939999999999998 114.885 -173.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -99.08 -20.13 16.85 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 119.281 -0.968 . . . . 50.859999999999999 112.858 176.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -99.23 -32.28 11.29 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.058 0.392 . . . . 50.479999999999997 112.058 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.1 mt -126.78 148.48 49.92 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 121.035 -0.266 . . . . 46.18 111.536 -173.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.74 134.98 53.29 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.069 0.548 . . . . 56.25 109.75 175.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -50.6 130.34 24.03 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 122.851 0.46 . . . . 50.049999999999997 111.705 174.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.5 mt -88.28 116.9 30.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 N-CA-C 108.796 -0.816 . . . . 42.030000000000001 108.796 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -118.58 -3.61 10.86 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.887 1.069 . . . . 45.119999999999997 113.887 -179.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -123.93 142.23 51.33 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.395 -0.965 . . . . 59.93 108.395 -172.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -64.83 -36.67 85.1 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 123.451 0.47 . . . . 48.450000000000003 110.035 -177.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.29 -24.31 67.61 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 119.6 -0.84 . . . . 48.939999999999998 113.161 -179.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.7 t -81.43 -42.9 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 110.32 -0.252 . . . . 43.600000000000001 110.32 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.9 t -49.24 -53.18 9.06 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 C-N-CA 123.555 0.742 . . . . 45.560000000000002 110.131 168.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -58.74 -47.04 86.0 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.448 1.099 . . . . 43.560000000000002 112.456 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -36.87 81.27 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.159 1.17 . . . . 55.409999999999997 114.159 178.81 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.6 t -66.01 -48.34 82.05 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 108.728 -0.841 . . . . 44.840000000000003 108.728 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.7 tpp -61.51 -40.0 93.03 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.249 0.343 . . . . 46.899999999999999 111.787 176.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -58.62 -38.86 78.93 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.524 0.678 . . . . 52.880000000000003 109.319 -179.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.7 m -70.34 -41.62 72.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.438 0.903 . . . . 48.520000000000003 113.438 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -80.76 -21.28 41.2 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.64 0.978 . . . . 49.25 113.64 -176.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -84.19 78.81 9.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.467 1.107 . . . . 45.140000000000001 112.001 -169.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -67.06 -38.81 86.46 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.861 1.8 . . . . 46.469999999999999 115.861 -173.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -93.56 -3.25 53.08 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.151 0.501 . . . . 50.57 112.245 -175.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.22 18.1 72.55 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 119.319 2.488 . . . . 47.130000000000003 119.319 170.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -88.86 7.26 35.16 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 115.98 1.844 . . . . 46.270000000000003 115.98 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.94 -6.89 72.82 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 119.765 -1.207 . . . . 47.380000000000003 116.002 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -131.19 167.83 18.51 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 118.848 1.324 . . . . 50.560000000000002 111.221 178.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 47.2 t -102.17 108.0 19.26 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 124.041 0.838 . . . . 44.479999999999997 110.34 178.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -84.13 -177.48 6.67 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 112.928 0.714 . . . . 47.469999999999999 112.928 173.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -64.25 -42.3 96.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 114.977 1.473 . . . . 46.450000000000003 114.977 -171.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -61.53 -38.64 88.17 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 112.265 0.468 . . . . 59.409999999999997 112.265 177.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -69.62 -39.44 77.17 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.262 1.025 . . . . 45.149999999999999 110.296 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.75 -43.18 94.39 Favored 'General case' 0 CA--C 1.509 -0.608 0 C-N-CA 120.564 -0.454 . . . . 47.439999999999998 110.236 173.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.1 mmm -59.89 -39.14 84.35 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 114.047 1.128 . . . . 58.439999999999998 114.047 177.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.26 83.89 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.704 0.631 . . . . 43.640000000000001 112.704 173.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -62.0 -48.43 80.36 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.604 0.565 . . . . 48.270000000000003 110.745 173.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.17 -48.94 65.38 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 121.889 -0.507 . . . . 44.840000000000003 111.412 172.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.34 71.08 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.66 0.615 . . . . 44.520000000000003 112.66 178.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 37.5 mtt -65.3 -43.62 90.54 Favored 'General case' 0 C--O 1.206 -1.22 0 N-CA-C 112.822 0.675 . . . . 54.640000000000001 112.822 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 61.3 mt -69.1 -42.97 82.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 121.715 -0.616 . . . . 49.939999999999998 109.803 -177.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.3 m -60.71 -42.43 97.21 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-N 115.083 -0.962 . . . . 44.729999999999997 112.344 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . 0.526 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 20.3 m -66.37 -42.87 87.36 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.022 -0.671 . . . . 44.229999999999997 109.596 178.245 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.5 93.74 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.292 0.568 . . . . 45.469999999999999 110.852 178.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.22 -42.2 89.02 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-N 116.064 -0.516 . . . . 51.509999999999998 111.377 174.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -54.91 -35.04 63.71 Favored 'General case' 0 C--O 1.254 1.308 0 N-CA-C 114.197 1.184 . . . . 48.490000000000002 114.197 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 82' ' ' THR . 9.9 pt-20 -107.71 -2.75 19.8 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 115.423 1.638 . . . . 60.780000000000001 115.423 -174.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PHE . . . . . 0.708 ' CD1' ' H8 ' ' A' ' 94' ' ' 32A . 61.9 t80 -59.06 -30.13 67.83 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 107.928 -1.138 . . . . 51.710000000000001 107.928 164.55 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PHE . . . . . 0.632 ' O ' ' O ' ' A' ' 131' ' ' HOH . 96.2 m-85 . . . . . 0 N--CA 1.473 0.675 0 N-CA-C 114.165 1.172 . . . . 51.520000000000003 114.165 -171.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' 32A . . . . . 0.708 ' H8 ' ' CD1' ' A' ' 87' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CAC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . 0.458 ' O ' ' HD2' ' A' ' 15' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . 0.632 ' O ' ' O ' ' A' ' 88' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.8 -0.815 . . . . 43.229999999999997 108.8 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.4 -32.77 73.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.226 1.195 . . . . 58.119999999999997 114.226 174.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -48.19 69.55 Favored 'General case' 0 C--O 1.249 1.032 0 CA-C-N 118.547 0.612 . . . . 41.119999999999997 111.536 176.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -58.33 -38.31 76.88 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.881 -0.512 . . . . 41.100000000000001 110.65 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -57.47 -45.18 85.09 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 114.182 1.178 . . . . 53.130000000000003 114.182 173.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -46.01 89.52 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 124.023 0.929 . . . . 44.039999999999999 111.711 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.9 t -53.65 -46.95 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 120.401 -0.52 . . . . 43.640000000000001 112.276 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.257 1.0 OUTLIER -76.31 -27.6 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 118.643 -1.223 . . . . 44.390000000000001 112.082 -176.477 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.07 98.83 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 113.259 0.837 . . . . 44.170000000000002 113.259 170.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.33 -49.06 79.1 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.131 0.491 . . . . 45.960000000000001 111.696 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -57.39 -50.0 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.058 -0.519 . . . . 44.700000000000003 109.996 174.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.52 -43.56 93.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 118.468 -1.293 . . . . 57.880000000000003 113.04 -172.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.4 p -66.1 -42.61 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 120.391 -0.523 . . . . 45.869999999999997 112.002 -176.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -55.35 -40.28 71.06 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.553 0.692 . . . . 46.060000000000002 109.408 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.458 ' HD2' ' O ' ' A' ' 121' ' ' HOH 0.253 9.0 m80 -77.11 -33.19 56.89 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 115.933 1.827 . . . . 55.359999999999999 115.933 -175.05 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -65.68 -33.34 75.65 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 117.043 -1.863 . . . . 61.32 110.395 175.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -84.74 -42.74 14.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.358 0.873 . . . . 45.009999999999998 113.358 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p -67.06 -35.91 80.89 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 113.292 0.849 . . . . 44.170000000000002 113.292 -174.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.53 -2.39 68.64 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 117.654 1.821 . . . . 43.729999999999997 117.654 -178.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -60.68 -49.89 75.68 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.737 1.014 . . . . 46.159999999999997 113.737 -178.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.616 ' HB2' ' HE2' ' A' ' 28' ' ' LYS . 7.4 mt-10 -145.27 154.48 42.41 Favored 'General case' 0 C--O 1.246 0.891 0 O-C-N 122.278 -0.264 . . . . 53.359999999999999 110.961 -173.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.43 48.62 Favored Glycine 0 C--O 1.241 0.539 0 CA-C-N 115.73 -0.668 . . . . 45.799999999999997 113.235 -178.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -57.4 115.78 2.93 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 124.024 0.93 . . . . 47.009999999999998 111.321 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -74.36 -5.69 43.8 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.527 -0.76 . . . . 52.68 111.186 -174.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -108.5 6.15 25.86 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 113.425 0.898 . . . . 49.82 113.425 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -139.04 151.89 47.14 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 121.518 -0.739 . . . . 50.600000000000001 110.094 -177.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 68' ' ' CYS . 85.0 mt -94.68 114.71 26.68 Favored 'General case' 0 N--CA 1.431 -1.381 0 O-C-N 124.532 1.145 . . . . 44.609999999999999 108.954 179.05 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.616 ' HE2' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -81.4 176.26 9.86 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.711 -1.218 . . . . 53.270000000000003 107.711 171.209 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -56.67 -43.5 80.49 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.08 1.511 . . . . 49.789999999999999 115.08 -173.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 54.5 p -67.98 -36.32 79.84 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.561 0.949 . . . . 47.789999999999999 113.561 -178.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -67.8 -46.0 73.17 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.811 1.041 . . . . 44.539999999999999 113.811 172.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -45.49 72.86 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 122.204 -0.31 . . . . 44.490000000000002 110.781 169.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -62.44 -43.21 99.37 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.529 0.68 . . . . 58.5 111.536 -175.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 30' ' ' SER . 24.3 mm-40 -66.65 -40.82 88.84 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.902 -0.59 . . . . 50.770000000000003 112.032 179.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tt -56.01 -53.64 54.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 119.415 -0.326 . . . . 44.420000000000002 110.138 175.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.24 -45.87 95.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 112.482 0.549 . . . . 45.25 112.482 -179.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.891 HD21 ' H ' ' A' ' 47' ' ' ILE . 4.4 m120 -66.59 -39.04 88.22 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 115.688 1.736 . . . . 45.520000000000003 115.688 179.76 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -89.33 -32.63 17.25 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 113.006 0.743 . . . . 43.340000000000003 113.006 -176.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -112.32 -8.56 13.92 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 114.427 1.269 . . . . 45.270000000000003 114.427 -168.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.2 mt -129.55 32.71 4.59 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.836 0.68 . . . . 43.060000000000002 112.836 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 p -68.62 -10.95 59.21 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.885 1.439 . . . . 45.939999999999998 114.885 -173.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -99.08 -20.13 16.85 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 119.281 -0.968 . . . . 50.859999999999999 112.858 176.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -99.23 -32.28 11.29 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.058 0.392 . . . . 50.479999999999997 112.058 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.1 mt -126.78 148.48 49.92 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 121.035 -0.266 . . . . 46.18 111.536 -173.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.74 134.98 53.29 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.069 0.548 . . . . 56.25 109.75 175.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -50.6 130.34 24.03 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 122.851 0.46 . . . . 50.049999999999997 111.705 174.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.891 ' H ' HD21 ' A' ' 37' ' ' ASN . 74.5 mt -88.28 116.9 30.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 N-CA-C 108.796 -0.816 . . . . 42.030000000000001 108.796 -179.893 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -118.58 -3.61 10.86 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.887 1.069 . . . . 45.119999999999997 113.887 -179.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -123.93 142.23 51.33 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.395 -0.965 . . . . 59.93 108.395 -172.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -64.83 -36.67 85.1 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 123.451 0.47 . . . . 48.450000000000003 110.035 -177.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.29 -24.31 67.61 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 119.6 -0.84 . . . . 48.939999999999998 113.161 -179.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.7 t -81.43 -42.9 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 110.32 -0.252 . . . . 43.600000000000001 110.32 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.9 t -49.24 -53.18 9.06 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 C-N-CA 123.555 0.742 . . . . 45.560000000000002 110.131 168.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -58.74 -47.04 86.0 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.448 1.099 . . . . 43.560000000000002 112.456 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -36.87 81.27 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.159 1.17 . . . . 55.409999999999997 114.159 178.81 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.6 t -66.01 -48.34 82.05 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 108.728 -0.841 . . . . 44.840000000000003 108.728 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.7 tpp -61.51 -40.0 93.03 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.249 0.343 . . . . 46.899999999999999 111.787 176.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -58.62 -38.86 78.93 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.524 0.678 . . . . 52.880000000000003 109.319 -179.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.7 m -70.34 -41.62 72.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.438 0.903 . . . . 48.520000000000003 113.438 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -80.76 -21.28 41.2 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.64 0.978 . . . . 49.25 113.64 -176.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -84.19 78.81 9.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.467 1.107 . . . . 45.140000000000001 112.001 -169.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -67.06 -38.81 86.46 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.861 1.8 . . . . 46.469999999999999 115.861 -173.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -93.56 -3.25 53.08 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.151 0.501 . . . . 50.57 112.245 -175.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.22 18.1 72.55 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 119.319 2.488 . . . . 47.130000000000003 119.319 170.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -88.86 7.26 35.16 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 115.98 1.844 . . . . 46.270000000000003 115.98 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.94 -6.89 72.82 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 119.765 -1.207 . . . . 47.380000000000003 116.002 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -131.19 167.83 18.51 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 118.848 1.324 . . . . 50.560000000000002 111.221 178.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 47.2 t -102.17 108.0 19.26 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 124.041 0.838 . . . . 44.479999999999997 110.34 178.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -84.13 -177.48 6.67 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 112.928 0.714 . . . . 47.469999999999999 112.928 173.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -64.25 -42.3 96.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 114.977 1.473 . . . . 46.450000000000003 114.977 -171.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -61.53 -38.64 88.17 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 112.265 0.468 . . . . 59.409999999999997 112.265 177.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -69.62 -39.44 77.17 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.262 1.025 . . . . 45.149999999999999 110.296 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.75 -43.18 94.39 Favored 'General case' 0 CA--C 1.509 -0.608 0 C-N-CA 120.564 -0.454 . . . . 47.439999999999998 110.236 173.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.1 mmm -59.89 -39.14 84.35 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 114.047 1.128 . . . . 58.439999999999998 114.047 177.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.26 83.89 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.704 0.631 . . . . 43.640000000000001 112.704 173.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -62.0 -48.43 80.36 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.604 0.565 . . . . 48.270000000000003 110.745 173.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.17 -48.94 65.38 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 121.889 -0.507 . . . . 44.840000000000003 111.412 172.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.34 71.08 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.66 0.615 . . . . 44.520000000000003 112.66 178.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 37.5 mtt -65.3 -43.62 90.54 Favored 'General case' 0 C--O 1.206 -1.22 0 N-CA-C 112.822 0.675 . . . . 54.640000000000001 112.822 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 61.3 mt -69.1 -42.97 82.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 121.715 -0.616 . . . . 49.939999999999998 109.803 -177.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.3 m -60.71 -42.43 97.21 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-N 115.083 -0.962 . . . . 44.729999999999997 112.344 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . 0.526 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 20.3 m -66.37 -42.87 87.36 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.022 -0.671 . . . . 44.229999999999997 109.596 178.245 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.5 93.74 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.292 0.568 . . . . 45.469999999999999 110.852 178.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.22 -42.2 89.02 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-N 116.064 -0.516 . . . . 51.509999999999998 111.377 174.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -54.91 -35.04 63.71 Favored 'General case' 0 C--O 1.254 1.308 0 N-CA-C 114.197 1.184 . . . . 48.490000000000002 114.197 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 82' ' ' THR . 9.9 pt-20 -107.71 -2.75 19.8 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 115.423 1.638 . . . . 60.780000000000001 115.423 -174.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.708 ' CD1' ' H8 ' ' A' ' 94' ' ' 32A . 61.9 t80 -59.06 -30.13 67.83 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 107.928 -1.138 . . . . 51.710000000000001 107.928 164.55 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.632 ' O ' ' O ' ' A' ' 131' ' ' HOH . 96.2 m-85 . . . . . 0 N--CA 1.473 0.675 0 N-CA-C 114.165 1.172 . . . . 51.520000000000003 114.165 -171.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' 32A . . . . . 0.708 ' H8 ' ' CD1' ' A' ' 87' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CAC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . 0.458 ' O ' ' HD2' ' A' ' 15' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . 0.632 ' O ' ' O ' ' A' ' 88' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_